F7FWW2_MACMU Loading...

Heat shock protein beta-7

AlphaFold DB , UniProt , Accession F7FWW2, Species MACMU (Macaca mulatta, Rhesus macaque), Gene HSPB7, Length 175 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M43.8Very low49.2Very low235 Ų235150.5 Ų150.5100%1.15880%0.797SS**  0127.80-73.9173.4156.900107.3
2S52.4Low48.9Very low109 Ų109150.4 Ų150.476%0.76279%0.789SS**  trans-107.3136.2-165.2-49.40000112.2
3H51Low48.7Very low175 Ų175154.8 Ų154.881%0.8179%0.788SS**  trans-159.6114.2149.61.2-87.7000105.8
4R51.2Low48.2Very low219 Ų219150.5 Ų150.583%0.82678%0.779SS**  43126.159.5-65.5-174.595.7-131.97.5110.7
5T49.3Very low47.7Very low103 Ų103154.7 Ų154.763%0.63279%0.79SS**  cis-178.9151.71914.70000108.8
6S50Low47.2Very low109 Ų109154.8 Ų154.876%0.76279%0.785SS**  trans68.9113.1139.7-49.50000121.8
7S49.4Very low46.6Very low124 Ų124152.7 Ų152.787%0.86779%0.789SS**  trans-105.5108.9156.2171.10000109.5
8T52.3Low45.9Very low128 Ų128150.9 Ų150.979%0.78579%0.792SS**  trans-148.1118.2161.350.20000108
9F50.4Low45.4Very low204 Ų204149.3 Ų149.390%0.89579%0.794SS**  -170.8140.7123.7-161.9-113.6000112
10R50.2Low45.1Very low177 Ų177147.4 Ų147.467%0.66879%0.793SS**  trans-75.1140.3-179-179.8-172.7-176.8-173.25.5110.7E12R10-E12 IonicContact CZ-OE2 3.06Å; R10-E12 IonicContact NE-OE2 3.28Å; R10-E12 PolarHBondContact NE-OE2 2.7Å; R10-E12 IonicContact NH2-OE2 2.66Å; R10-E12 PolarHBondContact NH2-OE2 3.48Å
11A41.8Very low44.8Very low73 Ų73146.3 Ų146.360%0.60380%0.797SS**  trans-143.694.9161.900000110.5
12E44.7Very low44.6Very low149 Ų149141.1 Ų141.170%0.69678%0.784SS**  trans-70.9136.1158.3-64.117896.700108.2R10R10-E12 IonicContact CZ-OE2 3.06Å; R10-E12 IonicContact NE-OE2 3.28Å; R10-E12 PolarHBondContact NE-OE2 2.7Å; R10-E12 IonicContact NH2-OE2 2.66Å; R10-E12 PolarHBondContact NH2-OE2 3.48Å
13R46.6Very low43.9Very low207 Ų207141.3 Ų141.378%0.78179%0.785SS**  trans-146.2117.3164.737.7179.7168.5-88.4-0.7110.2
14S41.3Very low43.5Very low95 Ų95138.9 Ų138.966%0.66479%0.788SS**  trans-63.2143.1-179.2-47.90000112.4H16S14-H16 VanDerWaalsContact CB-CD2 3.42Å; S14-H16 WeakPolarHBondContact CB-CD2 3.03Å; S14-H16 VanDerWaalsContact CB-NE2 3.31Å; S14-H16 WeakPolarHBondContact CB-NE2 3.43Å
15F41.6Very low42.9Very low214 Ų214133.7 Ų133.794%0.93979%0.785SS**  trans-83.6113165.4-66.3-75.8000108.8
16H38.8Very low42.3Very low155 Ų155135.8 Ų135.872%0.71880%0.798SS**  trans-107.4126.9170.2-69.9-124.6000108.5S14S14-H16 VanDerWaalsContact CB-CD2 3.42Å; S14-H16 WeakPolarHBondContact CB-CD2 3.03Å; S14-H16 VanDerWaalsContact CB-NE2 3.31Å; S14-H16 WeakPolarHBondContact CB-NE2 3.43Å
17S38.1Very low42Very low120 Ų120135.6 Ų135.684%0.83980%0.797SS**  trans-50.7132.2176-45.90000112.1
18S33.6Very low41.4Very low121 Ų121134.4 Ų134.485%0.84679%0.788SS**  trans-108.7104.7166.9-60.30000108.5
19S36.9Very low40.8Very low119 Ų119133.7 Ų133.783%0.83279%0.789SS**  trans-98.2127.7162.1-59.10000107.6
20S38.2Very low40.1Very low111 Ų111128.6 Ų128.678%0.77678%0.784SS**  trans-127.6111.7171.251.10000108.4
21S39Very low39.6Very low126 Ų126125.1 Ų125.188%0.88179%0.787SS**  trans-129.2121.5165.8-61.10000108.9
22S38.8Very low39.4Very low125 Ų125133.2 Ų133.287%0.87480%0.802SS**  trans-77.9146.7-176.8-30.10000111.6
23S39.6Very low38.9Very low114 Ų114131 Ų13180%0.79781%0.809SS**  trans-83.3153.2174.644.50000112.9
24S40.8Very low38.4Very low123 Ų123129.2 Ų129.286%0.8681%0.814SS**  trans-154.1122.7151.358.30000111
25S38.9Very low39Very low110 Ų110130.4 Ų130.477%0.76982%0.819SS**  trans-92.5149.1179.1-35.70000111
26T37.9Very low38.8Very low147 Ų147124.4 Ų124.490%0.90281%0.809SS**  trans-149.2140.6148.444.70000111.5
27S42.5Very low38.6Very low105 Ų105126.3 Ų126.373%0.73482%0.819SS**  trans-77.2163.1-175.248.30000113
28S37.9Very low38.4Very low99 Ų99128 Ų12869%0.69282%0.818SS**  172123.281.3-51.30000107.9
29S38.7Very low39.4Very low114 Ų114127 Ų12780%0.79781%0.809SS**  88.6113.992.8-56.60000117.7
30A35.7Very low40.1Very low96 Ų96127 Ų12779%0.79381%0.806SS**  trans71.1146.2143.100000119.2
31S40Very low40.3Very low104 Ų104130 Ų13073%0.72781%0.81SS**  cis-166.2147.99.2-35.90000111.6
32R38.1Very low40.9Very low243 Ų243133.4 Ų133.492%0.91781%0.812SS**  trans47.5125.7139.6-68174.3104.2167.53124.9
33A32.8Very low41Very low102 Ų102136.4 Ų136.484%0.84381%0.809SS**  trans88.3138.2131.600000123.3
34L36.3Very low41.4Very low170 Ų170134.9 Ų134.989%0.8980%0.803SS**  trans-94.9-171.5-175-60.2167.9000113.5
35P54.1Low41.7Very low120 Ų120136.9 Ų136.978%0.77980%0.804SS**  cis-139.9176.9-14.726.4-1.1000117.6
36A37.6Very low41.9Very low88 Ų88137.6 Ų137.673%0.72781%0.809SS**  trans95.8140.314200000124.4
37Q35.3Very low42.5Very low196 Ų196138.7 Ų138.792%0.91681%0.806SS**  trans102.5138.7155.9-52.4-78.5-64.600118.8
38D33Very low42.8Very low154 Ų154142 Ų14282%0.82481%0.807SS**  trans-89.5-168.5-156.7-148.3-115.9000115.2
39P55.3Low42.7Very low101 Ų101143.1 Ų143.166%0.65682%0.815SS**  -97.9-148.2-121.546.7-25.6000112.9
40P51.1Low42.8Very low118 Ų118143.7 Ų143.777%0.76681%0.809SS**  cis-128165.4-17.439.7-23.4000113.3
41M42.2Very low43.7Very low175 Ų175146.1 Ų146.186%0.86281%0.809SS**  trans177.9115.3133.2-161.1167.8-170.500109.5K43M41-K43 PolarHBondContact O-N 2.82Å
42E51.7Low43.6Very low197 Ų197151 Ų15192%0.92182%0.818SS**  trans-69.7108.2172.8-11174.89200107.8
43K40.8Very low43.6Very low188 Ų188142.2 Ų142.282%0.81780%0.802SS**  trans-140.7106.5162.7-164166.7177.7171.50109.5M41M41-K43 PolarHBondContact O-N 2.82Å
44A49.6Very low44.6Very low82 Ų82143.1 Ų143.168%0.67880%0.802SS**  trans14125.7152.600000117.1
45L46.6Very low45.1Very low165 Ų165143.1 Ų143.186%0.86480%0.796SS**  166.878.6118.2-81.9169.4000107.3M47L45-M47 PolarHBondContact O-N 3.38Å
46S42.3Very low44.7Very low126 Ų126144.5 Ų144.588%0.88179%0.793SS**  trans-91.780.9167.1-171.10000108.3
47M51.8Low45.4Very low169 Ų169152 Ų15283%0.83380%0.803SS**  trans-111.8137.5155.4-85.9-179.1174.300106.6L45L45-M47 PolarHBondContact O-N 3.38Å
48F47.4Very low45.9Very low174 Ų174148 Ų14876%0.76379%0.794SS**  trans76.499-177-95.3-92.5000117.1D50F48-D50 VanDerWaalsContact CD1-OD2 3.25Å; F48-D50 WeakPolarHBondContact CD1-OD2 3.24Å; F48-D50 VanDerWaalsContact CE1-OD2 3.23Å; F48-D50 WeakPolarHBondContact CE1-OD2 3.4Å
49S36.4Very low46.3Very low124 Ų124148.8 Ų148.887%0.86779%0.792SS**  trans-149.2111132.6-80.40000109.3
50D41.7Very low45.3Very low125 Ų125148.6 Ų148.667%0.66879%0.794SS**  trans-51.5133.4164.2-71.1-103.8000112.2F48F48-D50 VanDerWaalsContact CD1-OD2 3.25Å; F48-D50 WeakPolarHBondContact CD1-OD2 3.24Å; F48-D50 VanDerWaalsContact CE1-OD2 3.23Å; F48-D50 WeakPolarHBondContact CE1-OD2 3.4Å
51D54.7Low44.5Very low147 Ų147151.4 Ų151.479%0.78680%0.796SS**  40.795123-152.6-99.9000118
52F36.8Very low44.8Very low208 Ų208147.5 Ų147.591%0.91278%0.784SS**  trans-156.8118138.8-145-100.1000111.8
53G38.8Very low44.5Very low58 Ų58145.6 Ų145.660%0.59878%0.779SS**  trans77.299.6145.500000117.8
54S54Low44.9Very low120 Ų120141.4 Ų141.484%0.83978%0.779SS**  31147.7124-154.10000120
55F46.3Very low44.6Very low171 Ų171146.3 Ų146.375%0.7579%0.786SS**  trans9382.7159.4-136.6-104.6000114.9
56M45.5Very low44.5Very low148 Ų148144 Ų14473%0.72978%0.78SS**  166.4106.7120.8-83.6-49.9-171.400109.3
57R53.1Low44.4Very low245 Ų245142.2 Ų142.293%0.92577%0.773SS**  trans-72.3127.9157.7-159.2-179.3-157.2171.65.3107.1
58P45.3Very low44.4Very low112 Ų112138.6 Ų138.673%0.72777%0.77SS**  -143.6130.5111.829.3-10.5000111.6
59H41Very low44.1Very low171 Ų171139 Ų13979%0.79277%0.774SS**  88.9141.989.3-163-87.2000113.9
60S34.3Very low44.6Very low98 Ų98138.1 Ų138.169%0.68577%0.766SS**  trans70130.4178.3570000116.3
61E34.6Very low45.1Very low177 Ų177138.8 Ų138.883%0.82777%0.774SS**  cis-162.1165.714.7-109.7-99.9111.100108.7
62P48.4Very low44.7Very low92 Ų92136.7 Ų136.760%0.59778%0.778SS**  trans-91.1131.7-157.935.4-31.3000111.7
63L46.1Very low45.2Very low158 Ų158137.9 Ų137.983%0.82778%0.776SS**  trans-130.3113162.1-72.5176.3000109.7F65L63-F65 PolarHBondContact O-N 2.99Å
64A47.8Very low45.4Very low99 Ų99140.1 Ų140.182%0.81878%0.781SS**  trans-54.5125-178.800000112
65F44.5Very low44.8Very low186 Ų186137.9 Ų137.982%0.81678%0.776SS**  trans-128.7142.9155.3-68.4-77.9000108.1L63L63-F65 PolarHBondContact O-N 2.99Å
66P43Very low44.7Very low115 Ų115134 Ų13475%0.74778%0.776SS**  trans-77.4147.6-146.830.6-34.9000113.4
67A41.5Very low44.9Very low89 Ų89132.1 Ų132.174%0.73677%0.774SS**SBendtrans36.7113.3143.900000118.9
68A51.8Low45.2Very low93 Ų93120.9 Ų120.977%0.76974%0.735SS**  trans55.477.8137.100000116.3P70A68-P70 VanDerWaalsContact O-CD 3.3Å; A68-P70 WeakPolarHBondContact O-CD 3.47Å
69H40Very low46.5Very low182 Ų182121.2 Ų121.284%0.84373%0.731SS**  trans-85.8107.4141.8-66.7-94.6000106.7T71H69-T71 PolarHBondContact O-N 2.67Å
70P46.8Very low48.7Very low107 Ų107115.2 Ų115.270%0.69570%0.704SS**  trans-59.5131.1173.225.6-31.4000108.2A68 A72A68-P70 VanDerWaalsContact O-CD 3.3Å; A68-P70 WeakPolarHBondContact O-CD 3.47Å; P70-A72 PolarHBondContact O-N 3.37Å
71T52.4Low51.4Low138 Ų138116.3 Ų116.385%0.84770%0.697SS**  trans0.6105.3145.241.60000115.2H69H69-T71 PolarHBondContact O-N 2.67Å
72A46Very low54Low104 Ų104112.2 Ų112.286%0.8668%0.683SS**  trans-131.981.9148.500000107.8P70P70-A72 PolarHBondContact O-N 3.37Å
73R47.9Very low56Low232 Ų232112 Ų11288%0.87568%0.677SS**  trans-76.6-178.8163-153.1-169.8149.7-170.4-5.4107.9
74P43Very low57.9Low106 Ų106107.2 Ų107.269%0.68867%0.666SS**SBend-80.9149.4-120.534.4-15.3000115.1
75G41.7Very low59.9Low72 Ų72106.5 Ų106.574%0.74265%0.648SS**  trans6185.3162.300000114.8P77G75-P77 VanDerWaalsContact O-CD 3.31Å; G75-P77 WeakPolarHBondContact O-CD 3.37Å; G75-P77 VanDerWaalsContact O-N 3.14Å
76A44.9Very low62.1Low90 Ų9097.6 Ų97.674%0.74461%0.609SS**  trans-56.4119.9170.400000109.2G78A76-G78 PolarHBondContact O-N 2.85Å
77P48.9Very low64.5Low108 Ų10892.9 Ų92.970%0.70158%0.576SS**  trans-59.9124.6167.125.9-31000106.6G75G75-P77 VanDerWaalsContact O-CD 3.31Å; G75-P77 WeakPolarHBondContact O-CD 3.37Å; G75-P77 VanDerWaalsContact O-N 3.14Å
78G58.9Low66.9Low10 Ų1090.7 Ų90.710%0.10355%0.551CS.*  trans-45.1147.9-167.300000114.1A76 I80A76-G78 PolarHBondContact O-N 2.85Å; G78-I80 PolarHBondContact O-N 3.05Å
79N72.6Confident68.9Low119 Ų11986.4 Ų86.464%0.63652%0.515SS*.  trans-46.149.3-167.5-63.128.7000118.2
80I87.8Confident71.4Confident45 Ų4579.7 Ų79.723%0.23149%0.491CS..EExtended strand (participates in β ladder)trans-73.9128.1174.8-100.5169.5000109.1G78 Y87 E88 F89 C131 Q132 L133G78-I80 PolarHBondContact O-N 3.05Å; I80-Y87 HydrophobicContact CG2-CD1 4.11Å; I80-E88 CarbonylContact C-O 3.56Å; I80-E88 WeakPolarHBondContact CA-O 3.4Å; I80-F89 HydrophobicContact CG1-CB 3.8Å; I80-F89 HydrophobicContact CG1-CD2 4.26Å; I80-F89 HydrophobicContact CG1-CG 4.31Å; I80-C131 HydrophobicContact CD1-CB 3.96Å; I80-C131 VanDerWaalsContact CD1-SG 3.55Å; I80-C131 HydrophobicContact CG1-CB 4.36Å; I80-Q132 WeakPolarHBondContact CD1-O 3.21Å; I80-L133 HydrophobicContact CD1-CD2 3.73Å; I80-L133 HydrophobicContact CD1-CG 4.33Å
81K90.4Very high73.6Confident121 Ų12175.2 Ų75.253%0.52646%0.462SS..EExtended strand (participates in β ladder)trans-111.9136.1178.5-62.4169.365.4-148.50108.5Y87 E88K81-Y87 CarbonylContact O-C 3.48Å; K81-Y87 WeakPolarHBondContact O-CA 3.23Å; K81-E88 HydrophobicContact CB-CB 4.48Å; K81-E88 PolarHBondContact N-O 2.62Å; K81-E88 IonicContact NZ-OE1 2.97Å; K81-E88 PolarHBondContact NZ-OE1 3.44Å; K81-E88 VanDerWaalsContact NZ-OE1 3.07Å; K81-E88 PolarHBondContact O-N 2.96Å
82T90.4Very high75.5Confident90 Ų9072 Ų7255%0.55244%0.439SS*.EExtended strand (participates in β ladder)trans-90.6120.9173.7-48.30000109.6Y87T82-Y87 HydrophobicContact CG2-CD1 4.18Å; T82-Y87 HydrophobicContact CG2-CE1 3.77Å; T82-Y87 WeakPolarHBondContact OG1-CE1 3.07Å
83L89Confident77.8Confident88 Ų8867.1 Ų67.146%0.46140%0.399SS..EExtended strand (participates in β ladder)trans-113.171177.2-170.370.3000109.7D85 A86L83-D85 PolarHBondContact O-N 2.7Å; L83-A86 CarbonylContact C-O 3.51Å; L83-A86 WeakPolarHBondContact CA-O 3.32Å; L83-A86 PolarHBondContact N-O 2.98Å; L83-A86 PolarHBondContact O-N 2.77Å
84G87.4Confident80Confident57 Ų5764 Ų6459%0.58839%0.387SS*.THydrogen-bonded Turntrans63.4-99.7179.600000112.8R158G84-R158 WeakPolarHBondContact O-CD 3.23Å; G84-R158 PolarHBondContact O-NH1 3.09Å; G84-R158 VanDerWaalsContact O-NH1 3.09Å
85D89.1Confident82.3Confident84 Ų8463.6 Ų63.645%0.44938%0.379SS..THydrogen-bonded Turntrans-89.94178.172.9-95.1000113.8L83 R157 R158L83-D85 PolarHBondContact O-N 2.7Å; D85-R157 IonicContact OD1-NH1 3.91Å; D85-R157 VanDerWaalsContact OD2-CD 3.24Å; D85-R157 WeakPolarHBondContact OD2-CD 3.25Å; D85-R157 IonicContact OD2-CZ 3.78Å; D85-R157 IonicContact OD2-NE 3.36Å; D85-R157 IonicContact OD2-NH1 3.92Å; D85-R157 PolarHBondContact OD2-NH1 3Å; D85-R158 VanDerWaalsContact O-CB 3.23Å; D85-R158 WeakPolarHBondContact O-CB 3.32Å; D85-R158 VanDerWaalsContact O-CG 3.23Å; D85-R158 WeakPolarHBondContact O-CG 3.38Å; D85-R158 PolarHBondContact O-N 3.12Å
86A91.2Very high84.8Confident0 Ų061.2 Ų61.20%035%0.348CS..EExtended strand (participates in β ladder)trans-134.8160.1-179.900000112.1L83 R155 A156L83-A86 CarbonylContact C-O 3.51Å; L83-A86 WeakPolarHBondContact CA-O 3.32Å; L83-A86 PolarHBondContact N-O 2.98Å; L83-A86 PolarHBondContact O-N 2.77Å; A86-R155 HydrophobicContact CB-CG 4.11Å; A86-A156 CarbonylContact C-O 3.52Å; A86-A156 WeakPolarHBondContact CA-O 3.45Å; A86-A156 WeakPolarHBondContact CB-O 3.3Å
87Y92.4Very high87.1Confident15 Ų1559.2 Ų59.26%0.05933%0.329CS..EExtended strand (participates in β ladder)trans-106.8144164.9-62-77.5000109.8I80 K81 T82 P134 D136 V137 R155 A156 R158I80-Y87 HydrophobicContact CG2-CD1 4.11Å; K81-Y87 CarbonylContact O-C 3.48Å; K81-Y87 WeakPolarHBondContact O-CA 3.23Å; T82-Y87 HydrophobicContact CG2-CD1 4.18Å; T82-Y87 HydrophobicContact CG2-CE1 3.77Å; T82-Y87 WeakPolarHBondContact OG1-CE1 3.07Å; Y87-P134 HydrophobicContact CD1-CG 4.23Å; Y87-P134 HydrophobicContact CD2-CG 4.49Å; Y87-P134 HydrophobicContact CE1-CB 4.47Å; Y87-P134 HydrophobicContact CE1-CG 3.61Å; Y87-P134 HydrophobicContact CE2-CB 3.99Å; Y87-P134 HydrophobicContact CE2-CG 3.83Å; Y87-P134 WeakPolarHBondContact OH-CB 3.06Å; Y87-P134 WeakPolarHBondContact OH-CG 3.13Å; Y87-D136 PolarHBondContact OH-OD2 3.3Å; Y87-V137 HydrophobicContact CD2-CG2 3.28Å; Y87-V137 HydrophobicContact CE2-CG2 3.34Å; Y87-V137 HydrophobicContact CG-CG2 4.36Å; Y87-R155 CarbonylContact O-C 3.57Å; Y87-R155 VanDerWaalsContact O-CA 3.22Å; Y87-R155 WeakPolarHBondContact O-CA 3.42Å; Y87-R155 WeakPolarHBondContact O-CG 3.32Å; Y87-A156 PolarHBondContact N-O 3.31Å; Y87-A156 PolarHBondContact O-N 3.44Å; Y87-R158 HydrophobicContact CD2-CG 3.78Å; Y87-R158 HydrophobicContact CE2-CG 3.35Å; Y87-R158 PolarHBondContact OH-NE 3.11Å
88E93.4Very high89.2Confident44 Ų4458.5 Ų58.521%0.20632%0.324CS..EExtended strand (participates in β ladder)trans-128134.9179.6-179.3-179.688.700109I80 K81 T153 I154I80-E88 CarbonylContact C-O 3.56Å; I80-E88 WeakPolarHBondContact CA-O 3.4Å; K81-E88 HydrophobicContact CB-CB 4.48Å; K81-E88 PolarHBondContact N-O 2.62Å; K81-E88 IonicContact NZ-OE1 2.97Å; K81-E88 PolarHBondContact NZ-OE1 3.44Å; K81-E88 VanDerWaalsContact NZ-OE1 3.07Å; K81-E88 PolarHBondContact O-N 2.96Å; E88-T153 HydrophobicContact CG-CG2 3.64Å; E88-I154 CarbonylContact C-O 3.56Å; E88-I154 WeakPolarHBondContact CA-O 3.49Å
89F92.7Very high90.8Very high2 Ų265.5 Ų65.51%0.00936%0.355CS..EExtended strand (participates in β ladder)trans-132.9122178.4172.7-119000108.3I80 V91 I110 V112 H129 C131 T153 I154I80-F89 HydrophobicContact CG1-CB 3.8Å; I80-F89 HydrophobicContact CG1-CD2 4.26Å; I80-F89 HydrophobicContact CG1-CG 4.31Å; F89-V91 HydrophobicContact CD1-CG1 4.47Å; F89-V91 HydrophobicContact CE1-CG1 3.5Å; F89-V91 HydrophobicContact CE2-CG1 3.74Å; F89-V91 HydrophobicContact CZ-CB 4.46Å; F89-V91 HydrophobicContact CZ-CG1 3.05Å; F89-I110 HydrophobicContact CD1-CG2 4.32Å; F89-V112 HydrophobicContact CE1-CG2 3.86Å; F89-H129 AromaticContact CE2-CD2 3.66Å; F89-H129 AromaticContact CE2-NE2 3.65Å; F89-H129 AromaticContact CZ-CD2 3.18Å; F89-H129 WeakPolarHBondContact CZ-CD2 3.35Å; F89-H129 AromaticContact CZ-CG 3.95Å; F89-H129 AromaticContact CZ-NE2 3.68Å; F89-C131 HydrophobicContact CD2-CB 4.16Å; F89-C131 HydrophobicContact CE2-CB 4.04Å; F89-C131 VanDerWaalsContact CG-SG 3.57Å; F89-C131 HydrophobicContact CZ-CB 4.37Å; F89-T153 CarbonylContact O-C 3.55Å; F89-T153 WeakPolarHBondContact O-CA 3.29Å; F89-I154 HydrophobicContact CB-CB 4.48Å; F89-I154 HydrophobicContact CD1-CB 4.36Å; F89-I154 HydrophobicContact CD1-CD1 3.54Å; F89-I154 HydrophobicContact CE1-CD1 3.93Å; F89-I154 PolarHBondContact N-O 3.49Å; F89-I154 PolarHBondContact O-N 2.76Å
90A92.7Very high91.7Very high42 Ų4262 Ų6235%0.34734%0.336SS..EExtended strand (participates in β ladder)trans-117.6133.5-178.100000110.5L152A90-L152 WeakPolarHBondContact CA-O 3.33Å
91V93.2Very high92.1Very high12 Ų1261.1 Ų61.17%0.07333%0.331CS..EExtended strand (participates in β ladder)trans-132.2151.3174.5-67.10000111F89 V93 V112 F127 H129 L152F89-V91 HydrophobicContact CD1-CG1 4.47Å; F89-V91 HydrophobicContact CE1-CG1 3.5Å; F89-V91 HydrophobicContact CE2-CG1 3.74Å; F89-V91 HydrophobicContact CZ-CB 4.46Å; F89-V91 HydrophobicContact CZ-CG1 3.05Å; V91-V93 HydrophobicContact CG2-CG1 4.05Å; V91-V112 HydrophobicContact CG2-CG1 4.25Å; V91-V112 HydrophobicContact CG2-CG2 4.32Å; V91-F127 HydrophobicContact CB-CZ 4.14Å; V91-F127 HydrophobicContact CG1-CZ 4.37Å; V91-F127 HydrophobicContact CG2-CE1 4.49Å; V91-H129 HydrophobicContact CG1-CB 4.3Å; V91-L152 HydrophobicContact CG2-CB 3.88Å; V91-L152 HydrophobicContact CG2-CD2 4.03Å; V91-L152 HydrophobicContact CG2-CG 4.33Å; V91-L152 PolarHBondContact N-O 3.25Å; V91-L152 PolarHBondContact O-N 2.86Å
92D93Very high92.3Very high70 Ų7060.2 Ų60.237%0.37433%0.331SS..EExtended strand (participates in β ladder)trans-93.3125.3173.4-169.1-93.7000109.8R94D92-R94 WeakPolarHBondContact OD1-CD 3.49Å; D92-R94 VanDerWaalsContact OD1-CG 3.31Å; D92-R94 WeakPolarHBondContact OD1-CG 3.46Å; D92-R94 IonicContact OD1-CZ 3.47Å; D92-R94 IonicContact OD1-NE 3.07Å; D92-R94 PolarHBondContact OD1-NE 3.12Å; D92-R94 IonicContact OD1-NH2 3.55Å; D92-R94 IonicContact OD2-CZ 2.98Å; D92-R94 VanDerWaalsContact OD2-CZ 3.22Å; D92-R94 IonicContact OD2-NE 3.71Å; D92-R94 PolarHBondContact OD2-NE 2.7Å; D92-R94 IonicContact OD2-NH2 2.62Å; D92-R94 PolarHBondContact OD2-NH2 2.75Å
93V93.6Very high92.5Very high2 Ų258.1 Ų58.11%0.01232%0.318CS..  trans-135.125.8-176.9-670000111.4V91 D95 F96 I101 F127 L146 G150 L152V91-V93 HydrophobicContact CG2-CG1 4.05Å; V93-D95 PolarHBondContact O-N 2.79Å; V93-F96 HydrophobicContact CB-CD2 4.49Å; V93-F96 PolarHBondContact O-N 3.07Å; V93-I101 HydrophobicContact CB-CD1 3.86Å; V93-I101 HydrophobicContact CG1-CD1 4.5Å; V93-I101 HydrophobicContact CG2-CD1 3.6Å; V93-F127 HydrophobicContact CG1-CD1 4.19Å; V93-F127 HydrophobicContact CG1-CE1 3.97Å; V93-F127 HydrophobicContact CG1-CZ 4.43Å; V93-L146 HydrophobicContact CG2-CD1 3.48Å; V93-L146 VanDerWaalsContact CG2-CD1 3.48Å; V93-G150 WeakPolarHBondContact CG2-O 3.18Å; V93-G150 PolarHBondContact N-O 2.93Å; V93-L152 HydrophobicContact CG2-CB 3.79Å
94R93.5Very high92.7Very high167 Ų16756.7 Ų56.763%0.6331%0.313SS*.THydrogen-bonded Turntrans-56.7-22.8-175.370-175.665.9-166.3-5.2115.1D92 F96 G150D92-R94 WeakPolarHBondContact OD1-CD 3.49Å; D92-R94 VanDerWaalsContact OD1-CG 3.31Å; D92-R94 WeakPolarHBondContact OD1-CG 3.46Å; D92-R94 IonicContact OD1-CZ 3.47Å; D92-R94 IonicContact OD1-NE 3.07Å; D92-R94 PolarHBondContact OD1-NE 3.12Å; D92-R94 IonicContact OD1-NH2 3.55Å; D92-R94 IonicContact OD2-CZ 2.98Å; D92-R94 VanDerWaalsContact OD2-CZ 3.22Å; D92-R94 IonicContact OD2-NE 3.71Å; D92-R94 PolarHBondContact OD2-NE 2.7Å; D92-R94 IonicContact OD2-NH2 2.62Å; D92-R94 PolarHBondContact OD2-NH2 2.75Å; R94-F96 VanDerWaalsContact C-N 3.31Å; R94-G150 PolarHBondContact N-O 3.26Å
95D92Very high92.8Very high97 Ų9756.3 Ų56.352%0.51930%0.3SS..THydrogen-bonded Turntrans-83.3-3.4-179.4-85.5-83.9000114.5V93 K116V93-D95 PolarHBondContact O-N 2.79Å; D95-K116 PolarHBondContact O-NZ 2.75Å; D95-K116 VanDerWaalsContact O-NZ 3.07Å
96F94.3Very high92.9Very high22 Ų2255.6 Ų55.610%0.09630%0.301CS..SBendtrans-124.9147.6-173.6-58.4-87.8000111.7V93 R94 I101 A114 K116 N125 F127V93-F96 HydrophobicContact CB-CD2 4.49Å; V93-F96 PolarHBondContact O-N 3.07Å; R94-F96 VanDerWaalsContact C-N 3.31Å; F96-I101 HydrophobicContact CB-CD1 4.23Å; F96-I101 HydrophobicContact CB-CG1 4.05Å; F96-A114 HydrophobicContact CB-CB 4.03Å; F96-A114 HydrophobicContact CD1-CB 3.52Å; F96-A114 HydrophobicContact CD2-CB 3.96Å; F96-A114 HydrophobicContact CE1-CB 3.88Å; F96-A114 HydrophobicContact CE2-CB 4.3Å; F96-A114 HydrophobicContact CG-CB 3.56Å; F96-A114 HydrophobicContact CZ-CB 4.26Å; F96-K116 HydrophobicContact CD1-CB 3.96Å; F96-K116 HydrophobicContact CE1-CB 4.07Å; F96-N125 HydrophobicContact CE1-CB 3.9Å; F96-N125 HydrophobicContact CZ-CB 4.03Å; F96-N125 VanDerWaalsContact CZ-CG 3.49Å; F96-N125 WeakPolarHBondContact CZ-ND2 3.34Å; F96-F127 HydrophobicContact CD2-CB 4.38Å; F96-F127 HydrophobicContact CE1-CB 4.4Å; F96-F127 HydrophobicContact CE2-CB 3.49Å; F96-F127 VanDerWaalsContact CE2-CB 3.49Å; F96-F127 HydrophobicContact CE2-CG 4.29Å; F96-F127 HydrophobicContact CZ-CB 3.5Å; F96-F127 VanDerWaalsContact CZ-CB 3.5Å
97S92.4Very high92.8Very high48 Ų4862.6 Ų62.634%0.33634%0.339SS..  trans-75.1152.9170.7-72.80000110.8E99 D100 I101S97-E99 VanDerWaalsContact CB-OE1 3.22Å; S97-E99 WeakPolarHBondContact CB-OE1 3.4Å; S97-E99 PolarHBondContact O-N 2.72Å; S97-E99 VanDerWaalsContact O-N 3.11Å; S97-E99 PolarHBondContact OG-OE1 2.88Å; S97-D100 WeakPolarHBondContact CB-OD2 3.39Å; S97-D100 PolarHBondContact N-OD2 3.2Å; S97-D100 PolarHBondContact O-N 2.76Å; S97-I101 WeakPolarHBondContact O-CD1 3.45Å; S97-I101 WeakPolarHBondContact O-CG1 3.35Å
98P92.6Very high92.6Very high93 Ų9365.9 Ų65.960%0.60436%0.357SS*.G310 helixtrans-53.6-31.4174.219.5-31.4000113.5I101 L146P98-I101 PolarHBondContact O-N 2.8Å; P98-L146 HydrophobicContact CB-CD2 3.81Å
99E92.5Very high92.5Very high158 Ų15865.9 Ų65.974%0.73836%0.357SS*.G310 helixtrans-73.1-24.4179.164.7-141151.100114S97 I101S97-E99 VanDerWaalsContact CB-OE1 3.22Å; S97-E99 WeakPolarHBondContact CB-OE1 3.4Å; S97-E99 PolarHBondContact O-N 2.72Å; S97-E99 VanDerWaalsContact O-N 3.11Å; S97-E99 PolarHBondContact OG-OE1 2.88Å; E99-I101 VanDerWaalsContact C-N 3.31Å
100D92.9Very high92.4Very high46 Ų4665.9 Ų65.925%0.24636%0.357CS..G310 helixtrans-83.9-9.6177.7-65.3-40.8000112.4S97 A114 E115S97-D100 WeakPolarHBondContact CB-OD2 3.39Å; S97-D100 PolarHBondContact N-OD2 3.2Å; S97-D100 PolarHBondContact O-N 2.76Å; D100-A114 VanDerWaalsContact O-CA 3.24Å; D100-A114 WeakPolarHBondContact O-CA 3.48Å; D100-E115 WeakPolarHBondContact CB-O 3.22Å; D100-E115 PolarHBondContact O-N 3.43Å
101I94.6Very high92.5Very high25 Ų2565.9 Ų65.913%0.12835%0.35CS..EExtended strand (participates in β ladder)trans-99.1127.5-171.6-61.3159.8000110.7V93 F96 S97 P98 E99 V112 R113 A114 L146 L152V93-I101 HydrophobicContact CB-CD1 3.86Å; V93-I101 HydrophobicContact CG1-CD1 4.5Å; V93-I101 HydrophobicContact CG2-CD1 3.6Å; F96-I101 HydrophobicContact CB-CD1 4.23Å; F96-I101 HydrophobicContact CB-CG1 4.05Å; S97-I101 WeakPolarHBondContact O-CD1 3.45Å; S97-I101 WeakPolarHBondContact O-CG1 3.35Å; P98-I101 PolarHBondContact O-N 2.8Å; E99-I101 VanDerWaalsContact C-N 3.31Å; I101-V112 HydrophobicContact CG2-CG1 4.08Å; I101-R113 CarbonylContact C-O 3.48Å; I101-R113 WeakPolarHBondContact CA-O 3.34Å; I101-A114 HydrophobicContact CB-CB 4.46Å; I101-A114 HydrophobicContact CG1-CB 3.79Å; I101-L146 HydrophobicContact CD1-CD2 4.25Å; I101-L152 HydrophobicContact CG2-CD2 3.96Å
102I95.3Very high92.5Very high102 Ų10265.3 Ų65.352%0.52335%0.346SS..EExtended strand (participates in β ladder)trans-122.5122.2-179.8-57.7170.9000109V112 R113I102-V112 WeakPolarHBondContact O-CA 3.45Å; I102-R113 PolarHBondContact N-O 2.91Å; I102-R113 PolarHBondContact O-N 2.76Å
103V94.2Very high92.6Very high47 Ų4768.3 Ų68.329%0.28535%0.353SS..EExtended strand (participates in β ladder)trans-104.6120.7172.4-174.80000109I110 E111 V112 L152 I154V103-I110 HydrophobicContact CG1-CG2 3.99Å; V103-E111 WeakPolarHBondContact CA-O 3.36Å; V103-V112 HydrophobicContact CG2-CG2 4.29Å; V103-L152 HydrophobicContact CG2-CD2 3.97Å; V103-I154 HydrophobicContact CG1-CG1 4.24Å; V103-I154 HydrophobicContact CG2-CG1 4.49Å
104T93.4Very high92.7Very high57 Ų5768.4 Ų68.435%0.3535%0.353SS..EExtended strand (participates in β ladder)trans-115.2132.7177.4-57.10000109.7I110 E111T104-I110 CarbonylContact O-C 3.53Å; T104-I110 WeakPolarHBondContact O-CA 3.35Å; T104-E111 PolarHBondContact N-O 3.48Å; T104-E111 PolarHBondContact O-N 3.45Å
105T90.9Very high92.8Very high50 Ų5064.6 Ų64.631%0.30734%0.343SS..EExtended strand (participates in β ladder)trans-117.7115.9172.6-53.40000109.6H109 I110 L133 V142T105-H109 CarbonylContact C-O 3.59Å; T105-H109 VanDerWaalsContact CA-O 3.3Å; T105-H109 WeakPolarHBondContact CA-O 3.36Å; T105-I110 HydrophobicContact CG2-CG1 4.18Å; T105-L133 HydrophobicContact CG2-CD1 3.95Å; T105-V142 HydrophobicContact CG2-CG2 4.28Å
106S90Very high92.9Very high69 Ų6963 Ų6348%0.48333%0.331SS..EExtended strand (participates in β ladder)trans-150139-176.1-66.30000111.1N108 H109S106-N108 VanDerWaalsContact C-N 3.31Å; S106-N108 PolarHBondContact O-N 2.79Å; S106-H109 PolarHBondContact N-O 3.17Å; S106-H109 WeakPolarHBondContact O-CA 3.49Å; S106-H109 WeakPolarHBondContact O-CB 3.31Å; S106-H109 PolarHBondContact O-N 3.39Å
107N88.8Confident92.9Very high147 Ų14765.8 Ų65.879%0.78635%0.347SS*.THydrogen-bonded Turntrans49.746.1175.1-61.9-29.3000113.6H109N107-H109 PolarHBondContact O-CE1 3.16Å; N107-H109 PolarHBondContact O-N 2.68Å; N107-H109 PolarHBondContact O-ND1 2.94Å
108N88.7Confident92.9Very high83 Ų8364.9 Ų64.944%0.44434%0.342SS..THydrogen-bonded Turntrans57.332.8-174.9-51.1-38.5000113.3S106 L133S106-N108 VanDerWaalsContact C-N 3.31Å; S106-N108 PolarHBondContact O-N 2.79Å; N108-L133 HydrophobicContact CB-CB 4.47Å; N108-L133 PolarHBondContact O-N 2.79Å
109H90.8Very high92.9Very high45 Ų4566.1 Ų66.121%0.20836%0.36CS..EExtended strand (participates in β ladder)trans-128.4140171.3-64.879.2000109.7T105 S106 N107 K130 C131 Q132T105-H109 CarbonylContact C-O 3.59Å; T105-H109 VanDerWaalsContact CA-O 3.3Å; T105-H109 WeakPolarHBondContact CA-O 3.36Å; S106-H109 PolarHBondContact N-O 3.17Å; S106-H109 WeakPolarHBondContact O-CA 3.49Å; S106-H109 WeakPolarHBondContact O-CB 3.31Å; S106-H109 PolarHBondContact O-N 3.39Å; N107-H109 PolarHBondContact O-CE1 3.16Å; N107-H109 PolarHBondContact O-N 2.68Å; N107-H109 PolarHBondContact O-ND1 2.94Å; H109-K130 HydrophobicContact CB-CG 4.45Å; H109-K130 WeakPolarHBondContact CD2-CE 3.31Å; H109-K130 VanDerWaalsContact CG-CE 3.45Å; H109-C131 CarbonylContact C-O 3.58Å; H109-C131 VanDerWaalsContact CA-O 3.28Å; H109-C131 WeakPolarHBondContact CA-O 3.48Å; H109-Q132 PolarHBondContact CE1-NE2 2.81Å
110I92.1Very high93Very high2 Ų264.4 Ų64.41%0.0136%0.356CS..EExtended strand (participates in β ladder)trans-100.1132.3163.6-65.7164.6000107F89 V103 T104 T105 V112 K130 C131 L133 I154F89-I110 HydrophobicContact CD1-CG2 4.32Å; V103-I110 HydrophobicContact CG1-CG2 3.99Å; T104-I110 CarbonylContact O-C 3.53Å; T104-I110 WeakPolarHBondContact O-CA 3.35Å; T105-I110 HydrophobicContact CG2-CG1 4.18Å; I110-V112 HydrophobicContact CG2-CG2 4.32Å; I110-K130 CarbonylContact O-C 3.49Å; I110-K130 VanDerWaalsContact O-CA 3.31Å; I110-K130 WeakPolarHBondContact O-CA 3.32Å; I110-C131 PolarHBondContact N-O 3.47Å; I110-C131 PolarHBondContact O-N 2.79Å; I110-L133 HydrophobicContact CD1-CD1 3.71Å; I110-L133 HydrophobicContact CD1-CD2 3.63Å; I110-L133 HydrophobicContact CD1-CG 3.79Å; I110-L133 HydrophobicContact CG1-CD1 3.55Å; I110-L133 HydrophobicContact CG1-CD2 4.31Å; I110-L133 HydrophobicContact CG1-CG 3.9Å; I110-I154 HydrophobicContact CD1-CG2 3.77Å; I110-I154 HydrophobicContact CG2-CG2 4.43Å
111E93.3Very high93Very high42 Ų4264.5 Ų64.520%0.19637%0.367CS..EExtended strand (participates in β ladder)trans-124.6121.2173.3-173173.9-175.300108.9V103 T104 R113 H129 K130V103-E111 WeakPolarHBondContact CA-O 3.36Å; T104-E111 PolarHBondContact N-O 3.48Å; T104-E111 PolarHBondContact O-N 3.45Å; E111-R113 VanDerWaalsContact CD-NE 3.28Å; E111-R113 HydrophobicContact CG-CG 4.09Å; E111-R113 IonicContact OE1-CZ 2.72Å; E111-R113 IonicContact OE1-NE 2.95Å; E111-R113 PolarHBondContact OE1-NE 3Å; E111-R113 IonicContact OE1-NH2 2.69Å; E111-R113 PolarHBondContact OE1-NH2 2.74Å; E111-R113 IonicContact OE2-CZ 3.33Å; E111-R113 IonicContact OE2-NE 3.13Å; E111-R113 IonicContact OE2-NH2 3.84Å; E111-R113 PolarHBondContact OE2-NH2 2.78Å; E111-H129 CarbonylContact C-O 3.54Å; E111-H129 WeakPolarHBondContact CA-O 3.3Å; E111-K130 HydrophobicContact CB-CG 4.5Å; E111-K130 HydrophobicContact CG-CB 4.47Å
112V94.6Very high93Very high0 Ų067 Ų670%038%0.384CS..EExtended strand (participates in β ladder)trans-102120.1172.3-1770000107.1F89 V91 I101 I102 V103 I110 F127 A128 H129 L152 I154F89-V112 HydrophobicContact CE1-CG2 3.86Å; V91-V112 HydrophobicContact CG2-CG1 4.25Å; V91-V112 HydrophobicContact CG2-CG2 4.32Å; I101-V112 HydrophobicContact CG2-CG1 4.08Å; I102-V112 WeakPolarHBondContact O-CA 3.45Å; V103-V112 HydrophobicContact CG2-CG2 4.29Å; I110-V112 HydrophobicContact CG2-CG2 4.32Å; V112-F127 HydrophobicContact CB-CE1 4.22Å; V112-F127 HydrophobicContact CG1-CD1 4.33Å; V112-F127 HydrophobicContact CG1-CE1 3.93Å; V112-A128 CarbonylContact O-C 3.58Å; V112-A128 VanDerWaalsContact O-CA 3.29Å; V112-A128 WeakPolarHBondContact O-CA 3.49Å; V112-H129 PolarHBondContact N-O 2.85Å; V112-H129 PolarHBondContact O-N 2.97Å; V112-L152 HydrophobicContact CG1-CD2 3.8Å; V112-L152 HydrophobicContact CG2-CD2 4.31Å; V112-I154 HydrophobicContact CG2-CD1 3.58Å
113R94.8Very high93Very high133 Ų13365.6 Ų65.650%0.50238%0.38SS..EExtended strand (participates in β ladder)trans-115.3144.2172.6-64.4-174.5176.5-179.43.5109.2I101 I102 E111 F127I101-R113 CarbonylContact C-O 3.48Å; I101-R113 WeakPolarHBondContact CA-O 3.34Å; I102-R113 PolarHBondContact N-O 2.91Å; I102-R113 PolarHBondContact O-N 2.76Å; E111-R113 VanDerWaalsContact CD-NE 3.28Å; E111-R113 HydrophobicContact CG-CG 4.09Å; E111-R113 IonicContact OE1-CZ 2.72Å; E111-R113 IonicContact OE1-NE 2.95Å; E111-R113 PolarHBondContact OE1-NE 3Å; E111-R113 IonicContact OE1-NH2 2.69Å; E111-R113 PolarHBondContact OE1-NH2 2.74Å; E111-R113 IonicContact OE2-CZ 3.33Å; E111-R113 IonicContact OE2-NE 3.13Å; E111-R113 IonicContact OE2-NH2 3.84Å; E111-R113 PolarHBondContact OE2-NH2 2.78Å; R113-F127 CarbonylContact C-O 3.54Å; R113-F127 VanDerWaalsContact CA-O 3.26Å; R113-F127 WeakPolarHBondContact CA-O 3.3Å
114A95.1Very high93Very high3 Ų369.3 Ų69.33%0.02540%0.396CS..EExtended strand (participates in β ladder)trans-141.2141.6166.200000109.9F96 D100 I101 T126 F127F96-A114 HydrophobicContact CB-CB 4.03Å; F96-A114 HydrophobicContact CD1-CB 3.52Å; F96-A114 HydrophobicContact CD2-CB 3.96Å; F96-A114 HydrophobicContact CE1-CB 3.88Å; F96-A114 HydrophobicContact CE2-CB 4.3Å; F96-A114 HydrophobicContact CG-CB 3.56Å; F96-A114 HydrophobicContact CZ-CB 4.26Å; D100-A114 VanDerWaalsContact O-CA 3.24Å; D100-A114 WeakPolarHBondContact O-CA 3.48Å; I101-A114 HydrophobicContact CB-CB 4.46Å; I101-A114 HydrophobicContact CG1-CB 3.79Å; A114-T126 CarbonylContact O-C 3.53Å; A114-T126 WeakPolarHBondContact O-CA 3.35Å; A114-F127 HydrophobicContact CB-CB 4.14Å; A114-F127 PolarHBondContact N-O 2.88Å; A114-F127 PolarHBondContact O-N 3.33Å
115E95.1Very high93.1Very high88 Ų8869.3 Ų69.341%0.41139%0.394SS..EExtended strand (participates in β ladder)trans-135.9117.3178.5-172.6174.8100.100109.2D100 L117 V123 N125D100-E115 WeakPolarHBondContact CB-O 3.22Å; D100-E115 PolarHBondContact O-N 3.43Å; E115-L117 HydrophobicContact CG-CD2 4.04Å; E115-L117 WeakPolarHBondContact OE1-CD2 3.41Å; E115-V123 HydrophobicContact CG-CG1 3.86Å; E115-V123 HydrophobicContact CG-CG2 4.13Å; E115-N125 CarbonylContact C-O 3.59Å; E115-N125 WeakPolarHBondContact CA-O 3.35Å
116K94.3Very high93.3Very high62 Ų6271 Ų7127%0.2740%0.404SS..EExtended strand (participates in β ladder)trans-94.7123.3175.5-176.7165.167.5-165.20109.1D95 F96 M124 N125D95-K116 PolarHBondContact O-NZ 2.75Å; D95-K116 VanDerWaalsContact O-NZ 3.07Å; F96-K116 HydrophobicContact CD1-CB 3.96Å; F96-K116 HydrophobicContact CE1-CB 4.07Å; K116-M124 HydrophobicContact CG-CB 4.47Å; K116-M124 WeakPolarHBondContact O-CB 3.18Å; K116-M124 PolarHBondContact O-N 3.17Å; K116-N125 HydrophobicContact CB-CB 4.05Å; K116-N125 PolarHBondContact N-O 3.34Å; K116-N125 PolarHBondContact O-N 2.74Å
117L94.1Very high93.5Very high82 Ų8270 Ų7043%0.42939%0.391SS..EExtended strand (participates in β ladder)trans-102.2146.7176.8-59.1-179.2000111.4E115 T122 V123E115-L117 HydrophobicContact CG-CD2 4.04Å; E115-L117 WeakPolarHBondContact OE1-CD2 3.41Å; L117-T122 CarbonylContact C-O 3.56Å; L117-T122 WeakPolarHBondContact CA-O 3.38Å; L117-V123 HydrophobicContact CD2-CB 4.24Å; L117-V123 HydrophobicContact CD2-CG2 3.64Å
118A93.4Very high93.7Very high29 Ų2966.4 Ų66.424%0.2438%0.382CS..PPolyproline II helixtrans-76.4169.3164.800000110.5D120 G121 T122 M124A118-D120 WeakPolarHBondContact CB-OD1 3.47Å; A118-D120 PolarHBondContact O-N 3.3Å; A118-D120 VanDerWaalsContact O-N 3.15Å; A118-G121 PolarHBondContact O-N 3.4Å; A118-T122 PolarHBondContact N-O 3.23Å; A118-M124 HydrophobicContact CB-CG 3.68Å; A118-M124 HydrophobicContact CB-SD 3.69Å
119A92.9Very high93.9Very high119 Ų11965.2 Ų65.298%0.98337%0.373SS*.THydrogen-bonded Turntrans-62.2-22.4-17900000114G121A119-G121 VanDerWaalsContact C-N 3.32Å
120D94.7Very high94Very high122 Ų12268.5 Ų68.565%0.65239%0.387SS*.THydrogen-bonded Turntrans-86.7-0.517567-22000113.1A118 T122A118-D120 WeakPolarHBondContact CB-OD1 3.47Å; A118-D120 PolarHBondContact O-N 3.3Å; A118-D120 VanDerWaalsContact O-N 3.15Å; D120-T122 VanDerWaalsContact CG-OG1 3.23Å; D120-T122 WeakPolarHBondContact OD1-CB 3.31Å; D120-T122 PolarHBondContact OD1-N 2.62Å; D120-T122 PolarHBondContact OD1-OG1 2.95Å; D120-T122 PolarHBondContact OD2-OG1 3.41Å
121G91.8Very high93.9Very high47 Ų4768.5 Ų68.549%0.48539%0.387SS..SBendtrans84.66.4-17600000114.5A118 A119A118-G121 PolarHBondContact O-N 3.4Å; A119-G121 VanDerWaalsContact C-N 3.32Å
122T95.4Very high93.9Very high78 Ų7872.1 Ų72.148%0.47940%0.404SS..  trans-73.5132.5176.9-62.10000110.9L117 A118 D120 M124L117-T122 CarbonylContact C-O 3.56Å; L117-T122 WeakPolarHBondContact CA-O 3.38Å; A118-T122 PolarHBondContact N-O 3.23Å; D120-T122 VanDerWaalsContact CG-OG1 3.23Å; D120-T122 WeakPolarHBondContact OD1-CB 3.31Å; D120-T122 PolarHBondContact OD1-N 2.62Å; D120-T122 PolarHBondContact OD1-OG1 2.95Å; D120-T122 PolarHBondContact OD2-OG1 3.41Å; T122-M124 PolarHBondContact O-N 3.29Å
123V94.5Very high93.6Very high72 Ų7272.6 Ų72.644%0.43641%0.407SS..EExtended strand (participates in β ladder)trans-65.7115.6175-178.70000110.2E115 L117 T126E115-V123 HydrophobicContact CG-CG1 3.86Å; E115-V123 HydrophobicContact CG-CG2 4.13Å; L117-V123 HydrophobicContact CD2-CB 4.24Å; L117-V123 HydrophobicContact CD2-CG2 3.64Å; V123-T126 WeakPolarHBondContact CG1-OG1 3.31Å
124M95Very high93.4Very high125 Ų12568 Ų6862%0.61639%0.394SS*.EExtended strand (participates in β ladder)trans-92.5-37.6177.6-65.8-17371.800112.6K116 A118 T122K116-M124 HydrophobicContact CG-CB 4.47Å; K116-M124 WeakPolarHBondContact O-CB 3.18Å; K116-M124 PolarHBondContact O-N 3.17Å; A118-M124 HydrophobicContact CB-CG 3.68Å; A118-M124 HydrophobicContact CB-SD 3.69Å; T122-M124 PolarHBondContact O-N 3.29Å
125N94.8Very high93Very high58 Ų5876.2 Ų76.231%0.3143%0.432SS..EExtended strand (participates in β ladder)trans-150147.7-178.9-163.412.4000110.4F96 E115 K116F96-N125 HydrophobicContact CE1-CB 3.9Å; F96-N125 HydrophobicContact CZ-CB 4.03Å; F96-N125 VanDerWaalsContact CZ-CG 3.49Å; F96-N125 WeakPolarHBondContact CZ-ND2 3.34Å; E115-N125 CarbonylContact C-O 3.59Å; E115-N125 WeakPolarHBondContact CA-O 3.35Å; K116-N125 HydrophobicContact CB-CB 4.05Å; K116-N125 PolarHBondContact N-O 3.34Å; K116-N125 PolarHBondContact O-N 2.74Å
126T94.7Very high92.7Very high85 Ų8574.5 Ų74.552%0.52143%0.426SS..EExtended strand (participates in β ladder)trans-137.5137.2175.9-50.10000109.4A114 V123A114-T126 CarbonylContact O-C 3.53Å; A114-T126 WeakPolarHBondContact O-CA 3.35Å; V123-T126 WeakPolarHBondContact CG1-OG1 3.31Å
127F94.8Very high92.5Very high48 Ų4871.8 Ų71.821%0.21141%0.414CS..EExtended strand (participates in β ladder)trans-125.8136.5173.5174.6-95.1000109V91 V93 F96 V112 R113 A114 H129V91-F127 HydrophobicContact CB-CZ 4.14Å; V91-F127 HydrophobicContact CG1-CZ 4.37Å; V91-F127 HydrophobicContact CG2-CE1 4.49Å; V93-F127 HydrophobicContact CG1-CD1 4.19Å; V93-F127 HydrophobicContact CG1-CE1 3.97Å; V93-F127 HydrophobicContact CG1-CZ 4.43Å; F96-F127 HydrophobicContact CD2-CB 4.38Å; F96-F127 HydrophobicContact CE1-CB 4.4Å; F96-F127 HydrophobicContact CE2-CB 3.49Å; F96-F127 VanDerWaalsContact CE2-CB 3.49Å; F96-F127 HydrophobicContact CE2-CG 4.29Å; F96-F127 HydrophobicContact CZ-CB 3.5Å; F96-F127 VanDerWaalsContact CZ-CB 3.5Å; V112-F127 HydrophobicContact CB-CE1 4.22Å; V112-F127 HydrophobicContact CG1-CD1 4.33Å; V112-F127 HydrophobicContact CG1-CE1 3.93Å; R113-F127 CarbonylContact C-O 3.54Å; R113-F127 VanDerWaalsContact CA-O 3.26Å; R113-F127 WeakPolarHBondContact CA-O 3.3Å; A114-F127 HydrophobicContact CB-CB 4.14Å; A114-F127 PolarHBondContact N-O 2.88Å; A114-F127 PolarHBondContact O-N 3.33Å; F127-H129 HydrophobicContact CE1-CB 3.73Å; F127-H129 HydrophobicContact CE2-CB 4.38Å; F127-H129 HydrophobicContact CZ-CB 3.53Å
128A93.7Very high92.2Very high71 Ų7169.6 Ų69.659%0.58740%0.403SS*.EExtended strand (participates in β ladder)trans-142.3122.7170.500000108.7V112V112-A128 CarbonylContact O-C 3.58Å; V112-A128 VanDerWaalsContact O-CA 3.29Å; V112-A128 WeakPolarHBondContact O-CA 3.49Å
129H93.1Very high91.7Very high58 Ų5872.4 Ų72.427%0.26942%0.419SS..EExtended strand (participates in β ladder)trans-131.6131.3173.4-162.5105.8000110F89 V91 E111 V112 F127F89-H129 AromaticContact CE2-CD2 3.66Å; F89-H129 AromaticContact CE2-NE2 3.65Å; F89-H129 AromaticContact CZ-CD2 3.18Å; F89-H129 WeakPolarHBondContact CZ-CD2 3.35Å; F89-H129 AromaticContact CZ-CG 3.95Å; F89-H129 AromaticContact CZ-NE2 3.68Å; V91-H129 HydrophobicContact CG1-CB 4.3Å; E111-H129 CarbonylContact C-O 3.54Å; E111-H129 WeakPolarHBondContact CA-O 3.3Å; V112-H129 PolarHBondContact N-O 2.85Å; V112-H129 PolarHBondContact O-N 2.97Å; F127-H129 HydrophobicContact CE1-CB 3.73Å; F127-H129 HydrophobicContact CE2-CB 4.38Å; F127-H129 HydrophobicContact CZ-CB 3.53Å
130K91.8Very high91.3Very high115 Ų11572.7 Ų72.750%0.541%0.409SS..EExtended strand (participates in β ladder)trans-125.3134.3-178-175.6173.9175.9174.30110.2H109 I110 E111H109-K130 HydrophobicContact CB-CG 4.45Å; H109-K130 WeakPolarHBondContact CD2-CE 3.31Å; H109-K130 VanDerWaalsContact CG-CE 3.45Å; I110-K130 CarbonylContact O-C 3.49Å; I110-K130 VanDerWaalsContact O-CA 3.31Å; I110-K130 WeakPolarHBondContact O-CA 3.32Å; E111-K130 HydrophobicContact CB-CG 4.5Å; E111-K130 HydrophobicContact CG-CB 4.47Å
131C91Very high91Very high2 Ų268.2 Ų68.21%0.01439%0.387CS..EExtended strand (participates in β ladder)trans-130.2152.7172.562.30000110.1I80 F89 H109 I110I80-C131 HydrophobicContact CD1-CB 3.96Å; I80-C131 VanDerWaalsContact CD1-SG 3.55Å; I80-C131 HydrophobicContact CG1-CB 4.36Å; F89-C131 HydrophobicContact CD2-CB 4.16Å; F89-C131 HydrophobicContact CE2-CB 4.04Å; F89-C131 VanDerWaalsContact CG-SG 3.57Å; F89-C131 HydrophobicContact CZ-CB 4.37Å; H109-C131 CarbonylContact C-O 3.58Å; H109-C131 VanDerWaalsContact CA-O 3.28Å; H109-C131 WeakPolarHBondContact CA-O 3.48Å; I110-C131 PolarHBondContact N-O 3.47Å; I110-C131 PolarHBondContact O-N 2.79Å
132Q91.4Very high91Very high118 Ų11867.8 Ų67.855%0.55138%0.375SS*.EExtended strand (participates in β ladder)trans-96.5126.3178.2-169.5161.426.500109I80 H109I80-Q132 WeakPolarHBondContact CD1-O 3.21Å; H109-Q132 PolarHBondContact CE1-NE2 2.81Å
133L89.8Confident90.9Very high9 Ų968.2 Ų68.25%0.04738%0.377CS..PPolyproline II helixtrans-82.2147.2171.6-73.2168.8000110I80 T105 N108 I110 V137I80-L133 HydrophobicContact CD1-CD2 3.73Å; I80-L133 HydrophobicContact CD1-CG 4.33Å; T105-L133 HydrophobicContact CG2-CD1 3.95Å; N108-L133 HydrophobicContact CB-CB 4.47Å; N108-L133 PolarHBondContact O-N 2.79Å; I110-L133 HydrophobicContact CD1-CD1 3.71Å; I110-L133 HydrophobicContact CD1-CD2 3.63Å; I110-L133 HydrophobicContact CD1-CG 3.79Å; I110-L133 HydrophobicContact CG1-CD1 3.55Å; I110-L133 HydrophobicContact CG1-CD2 4.31Å; I110-L133 HydrophobicContact CG1-CG 3.9Å; L133-V137 HydrophobicContact CB-CB 4.39Å; L133-V137 HydrophobicContact CB-CG2 4.07Å; L133-V137 HydrophobicContact CD1-CG1 4.02Å; L133-V137 HydrophobicContact CD2-CG1 4.3Å; L133-V137 HydrophobicContact CD2-CG2 4.07Å
134P89.8Confident90.8Very high38 Ų3868.4 Ų68.425%0.24738%0.382CS..PPolyproline II helixtrans-63.2161.2167.9-29.143000112.7Y87 D136 V137Y87-P134 HydrophobicContact CD1-CG 4.23Å; Y87-P134 HydrophobicContact CD2-CG 4.49Å; Y87-P134 HydrophobicContact CE1-CB 4.47Å; Y87-P134 HydrophobicContact CE1-CG 3.61Å; Y87-P134 HydrophobicContact CE2-CB 3.99Å; Y87-P134 HydrophobicContact CE2-CG 3.83Å; Y87-P134 WeakPolarHBondContact OH-CB 3.06Å; Y87-P134 WeakPolarHBondContact OH-CG 3.13Å; P134-D136 VanDerWaalsContact C-N 3.26Å; P134-D136 VanDerWaalsContact CB-OD1 3.31Å; P134-D136 WeakPolarHBondContact CB-OD1 3.42Å; P134-D136 PolarHBondContact O-N 2.85Å; P134-V137 HydrophobicContact CB-CG2 4.37Å; P134-V137 WeakPolarHBondContact O-CG2 3.41Å; P134-V137 PolarHBondContact O-N 2.59Å
135E87.3Confident90.8Very high175 Ų17565.4 Ų65.482%0.81838%0.377SS*.THydrogen-bonded Turntrans-70.2-24-178.665.3-173137.700113.3V137E135-V137 PolarHBondContact O-N 2.82Å
136D88.9Confident90.7Very high51 Ų5165.9 Ų65.927%0.27338%0.379SS..THydrogen-bonded Turntrans-81.18.7178.653.5-68.9000113.5Y87 P134 R158 H159Y87-D136 PolarHBondContact OH-OD2 3.3Å; P134-D136 VanDerWaalsContact C-N 3.26Å; P134-D136 VanDerWaalsContact CB-OD1 3.31Å; P134-D136 WeakPolarHBondContact CB-OD1 3.42Å; P134-D136 PolarHBondContact O-N 2.85Å; D136-R158 CarbonylContact O-C 3.57Å; D136-R158 WeakPolarHBondContact O-CA 3.06Å; D136-R158 IonicContact OD2-CZ 2.7Å; D136-R158 VanDerWaalsContact OD2-CZ 3.28Å; D136-R158 IonicContact OD2-NE 3.12Å; D136-R158 PolarHBondContact OD2-NE 3.07Å; D136-R158 IonicContact OD2-NH2 3.48Å; D136-R158 PolarHBondContact OD2-NH2 3.3Å; D136-H159 PolarHBondContact O-N 2.82Å; D136-H159 PolarHBondContact O-ND1 2.82Å
137V90.1Very high90.7Very high6 Ų670 Ų704%0.03639%0.385CS..BIsolated β-bridgetrans-79.8136.6178.1175.90000112.4Y87 L133 P134 E135 P139 A156 H159Y87-V137 HydrophobicContact CD2-CG2 3.28Å; Y87-V137 HydrophobicContact CE2-CG2 3.34Å; Y87-V137 HydrophobicContact CG-CG2 4.36Å; L133-V137 HydrophobicContact CB-CB 4.39Å; L133-V137 HydrophobicContact CB-CG2 4.07Å; L133-V137 HydrophobicContact CD1-CG1 4.02Å; L133-V137 HydrophobicContact CD2-CG1 4.3Å; L133-V137 HydrophobicContact CD2-CG2 4.07Å; P134-V137 HydrophobicContact CB-CG2 4.37Å; P134-V137 WeakPolarHBondContact O-CG2 3.41Å; P134-V137 PolarHBondContact O-N 2.59Å; E135-V137 PolarHBondContact O-N 2.82Å; V137-P139 WeakPolarHBondContact O-CD 3.28Å; V137-A156 HydrophobicContact CG1-CB 3.61Å; V137-H159 VanDerWaalsContact C-ND1 3.29Å; V137-H159 PolarHBondContact O-CE1 3.33Å; V137-H159 PolarHBondContact O-ND1 2.79Å; V137-H159 VanDerWaalsContact O-ND1 3.17Å
138D86.8Confident90.5Very high35 Ų3577.5 Ų77.519%0.18742%0.421CS..  trans-83.9114169-177.6-69.1000110.4T140 S141 R157 H159D138-T140 VanDerWaalsContact C-N 3.25Å; D138-T140 PolarHBondContact O-N 2.83Å; D138-T140 VanDerWaalsContact OD1-CA 3.3Å; D138-T140 WeakPolarHBondContact OD1-CA 3.49Å; D138-T140 WeakPolarHBondContact OD1-CB 3.19Å; D138-T140 PolarHBondContact OD1-N 3.49Å; D138-T140 PolarHBondContact OD1-OG1 2.89Å; D138-S141 PolarHBondContact O-N 3.08Å; D138-S141 PolarHBondContact O-OG 2.78Å; D138-S141 WeakPolarHBondContact OD1-CB 3.22Å; D138-S141 PolarHBondContact OD1-N 2.67Å; D138-R157 PolarHBondContact N-O 3.45Å; D138-H159 WeakPolarHBondContact CA-CE1 3.31Å; D138-H159 PolarHBondContact N-ND1 3.32Å; D138-H159 IonicContact OD2-CD2 3.94Å; D138-H159 IonicContact OD2-NE2 2.78Å; D138-H159 PolarHBondContact OD2-NE2 2.82Å
139P82.4Confident90.3Very high88 Ų8878.5 Ų78.557%0.57142%0.416SS*.G310 helixtrans-71.2-18.4-176.829.4-35.4000113.5V137 V142V137-P139 WeakPolarHBondContact O-CD 3.28Å; P139-V142 WeakPolarHBondContact O-CG2 3.39Å
140T85.1Confident90.2Very high126 Ų12676.2 Ų76.277%0.77341%0.408SS*.G310 helixtrans-82.1-20.1178.373.40000112.4D138 V142D138-T140 VanDerWaalsContact C-N 3.25Å; D138-T140 PolarHBondContact O-N 2.83Å; D138-T140 VanDerWaalsContact OD1-CA 3.3Å; D138-T140 WeakPolarHBondContact OD1-CA 3.49Å; D138-T140 WeakPolarHBondContact OD1-CB 3.19Å; D138-T140 PolarHBondContact OD1-N 3.49Å; D138-T140 PolarHBondContact OD1-OG1 2.89Å; T140-V142 VanDerWaalsContact C-N 3.33Å
141S89.2Confident90.3Very high28 Ų2872.1 Ų72.120%0.19639%0.394CS..G310 helixtrans-86.71.3-17976.30000114.8D138 T143 R157D138-S141 PolarHBondContact O-N 3.08Å; D138-S141 PolarHBondContact O-OG 2.78Å; D138-S141 WeakPolarHBondContact OD1-CB 3.22Å; D138-S141 PolarHBondContact OD1-N 2.67Å; S141-T143 PolarHBondContact O-N 2.97Å; S141-R157 WeakPolarHBondContact OG-CA 3.48Å; S141-R157 WeakPolarHBondContact OG-CB 3.23Å; S141-R157 PolarHBondContact OG-N 2.75Å; S141-R157 PolarHBondContact OG-O 3.21Å
142V91.3Very high90.4Very high37 Ų3772.4 Ų72.422%0.22440%0.395CS..  trans-67.9126.6-178.2-177.80000109.8T105 P139 T140 I154 R155 A156T105-V142 HydrophobicContact CG2-CG2 4.28Å; P139-V142 WeakPolarHBondContact O-CG2 3.39Å; T140-V142 VanDerWaalsContact C-N 3.33Å; V142-I154 HydrophobicContact CG1-CG2 3.85Å; V142-R155 CarbonylContact C-O 3.45Å; V142-R155 WeakPolarHBondContact CA-O 3.43Å; V142-A156 HydrophobicContact CG2-CB 3.9Å
143T92.8Very high90.6Very high87 Ų8768.5 Ų68.553%0.53438%0.38SS..EExtended strand (participates in β ladder)trans-131.7147.8179.151.80000109.4S141 I154 R155S141-T143 PolarHBondContact O-N 2.97Å; T143-I154 CarbonylContact O-C 3.55Å; T143-I154 WeakPolarHBondContact O-CA 3.35Å; T143-R155 PolarHBondContact N-O 2.76Å; T143-R155 PolarHBondContact O-N 3.46Å; T143-R155 PolarHBondContact OG1-O 3.04Å
144S93.5Very high90.8Very high76 Ų7668.2 Ų68.253%0.53138%0.378SS..EExtended strand (participates in β ladder)trans-128.2146.3176.357.70000110.6T153S144-T153 CarbonylContact C-O 3.58Å; S144-T153 VanDerWaalsContact CA-O 3.31Å; S144-T153 WeakPolarHBondContact CA-O 3.46Å
145A94Very high91Very high62 Ų6270.5 Ų70.551%0.51238%0.382SS..EExtended strand (participates in β ladder)trans-141.7117.5177.400000109.3T153A145-T153 PolarHBondContact N-O 3.03Å; A145-T153 PolarHBondContact O-N 2.79Å
146L93.6Very high91.3Very high69 Ų6962.3 Ų62.336%0.36134%0.344SS..EExtended strand (participates in β ladder)trans-92126171-17864.6000108.9V93 P98 I101 L152V93-L146 HydrophobicContact CG2-CD1 3.48Å; V93-L146 VanDerWaalsContact CG2-CD1 3.48Å; P98-L146 HydrophobicContact CB-CD2 3.81Å; I101-L146 HydrophobicContact CD1-CD2 4.25Å; L146-L152 HydrophobicContact CB-CD1 4.01Å; L146-L152 HydrophobicContact CD1-CB 3.97Å; L146-L152 HydrophobicContact CD1-CD1 4.46Å
147R93.5Very high91.4Very high171 Ų17165.7 Ų65.765%0.64535%0.353SS*.  trans-92.1155.5173.9-179.9-173.3-66.4-103.74.7110D149 G150 S151R147-D149 WeakPolarHBondContact CB-OD1 3.42Å; R147-D149 WeakPolarHBondContact CD-OD1 3.24Å; R147-D149 VanDerWaalsContact CD-OD2 3.32Å; R147-D149 WeakPolarHBondContact CD-OD2 3.26Å; R147-D149 HydrophobicContact CG-CB 4.48Å; R147-D149 WeakPolarHBondContact CG-OD1 3.45Å; R147-D149 PolarHBondContact O-N 2.79Å; R147-D149 VanDerWaalsContact O-N 3.17Å; R147-G150 PolarHBondContact O-N 2.8Å; R147-S151 PolarHBondContact N-O 2.89Å
148E91.9Very high91.5Very high205 Ų20569.8 Ų69.896%0.95837%0.368SS*.THydrogen-bonded Turntrans-60.2-21.6179.6-167.2177.2167.500113.9G150E148-G150 PolarHBondContact O-N 2.83Å
149D89.8Confident91.2Very high93 Ų9372.5 Ų72.550%0.49738%0.379SS..THydrogen-bonded Turntrans-77.1-0.6173.969.4-17.4000113.7R147 S151R147-D149 WeakPolarHBondContact CB-OD1 3.42Å; R147-D149 WeakPolarHBondContact CD-OD1 3.24Å; R147-D149 VanDerWaalsContact CD-OD2 3.32Å; R147-D149 WeakPolarHBondContact CD-OD2 3.26Å; R147-D149 HydrophobicContact CG-CB 4.48Å; R147-D149 WeakPolarHBondContact CG-OD1 3.45Å; R147-D149 PolarHBondContact O-N 2.79Å; R147-D149 VanDerWaalsContact O-N 3.17Å; D149-S151 WeakPolarHBondContact OD1-CB 3.47Å; D149-S151 PolarHBondContact OD1-N 2.89Å
150G90Very high90.5Very high9 Ų973.1 Ų73.19%0.09338%0.383CS..SBendtrans85.110.5-177.800000114.3V93 R94 R147 E148V93-G150 WeakPolarHBondContact CG2-O 3.18Å; V93-G150 PolarHBondContact N-O 2.93Å; R94-G150 PolarHBondContact N-O 3.26Å; R147-G150 PolarHBondContact O-N 2.8Å; E148-G150 PolarHBondContact O-N 2.83Å
151S93.4Very high89.1Confident30 Ų3074.6 Ų74.621%0.2138%0.381CS..EExtended strand (participates in β ladder)trans-88.8115.3174.7-167.60000111.4R147 D149R147-S151 PolarHBondContact N-O 2.89Å; D149-S151 WeakPolarHBondContact OD1-CB 3.47Å; D149-S151 PolarHBondContact OD1-N 2.89Å
152L94.5Very high87.4Confident7 Ų779.2 Ų79.24%0.03741%0.408CS..EExtended strand (participates in β ladder)trans-92.5118.9172.2179.270000109.6A90 V91 V93 I101 V103 V112 L146 I154A90-L152 WeakPolarHBondContact CA-O 3.33Å; V91-L152 HydrophobicContact CG2-CB 3.88Å; V91-L152 HydrophobicContact CG2-CD2 4.03Å; V91-L152 HydrophobicContact CG2-CG 4.33Å; V91-L152 PolarHBondContact N-O 3.25Å; V91-L152 PolarHBondContact O-N 2.86Å; V93-L152 HydrophobicContact CG2-CB 3.79Å; I101-L152 HydrophobicContact CG2-CD2 3.96Å; V103-L152 HydrophobicContact CG2-CD2 3.97Å; V112-L152 HydrophobicContact CG1-CD2 3.8Å; V112-L152 HydrophobicContact CG2-CD2 4.31Å; L146-L152 HydrophobicContact CB-CD1 4.01Å; L146-L152 HydrophobicContact CD1-CB 3.97Å; L146-L152 HydrophobicContact CD1-CD1 4.46Å; L152-I154 HydrophobicContact CD2-CD1 3.88Å; L152-I154 HydrophobicContact CD2-CG1 4.5Å; L152-I154 HydrophobicContact CG-CD1 3.95Å; L152-I154 HydrophobicContact CG-CG1 4.35Å
153T94.3Very high85.4Confident37 Ų3783.9 Ų83.923%0.22743%0.428CS..EExtended strand (participates in β ladder)trans-106.2127.5174.1-51.90000109.6E88 F89 S144 A145E88-T153 HydrophobicContact CG-CG2 3.64Å; F89-T153 CarbonylContact O-C 3.55Å; F89-T153 WeakPolarHBondContact O-CA 3.29Å; S144-T153 CarbonylContact C-O 3.58Å; S144-T153 VanDerWaalsContact CA-O 3.31Å; S144-T153 WeakPolarHBondContact CA-O 3.46Å; A145-T153 PolarHBondContact N-O 3.03Å; A145-T153 PolarHBondContact O-N 2.79Å
154I94.7Very high83.3Confident2 Ų287.9 Ų87.91%0.0144%0.44CS..EExtended strand (participates in β ladder)trans-112128.4172.8-57.5111.3000108.3E88 F89 V103 I110 V112 V142 T143 L152E88-I154 CarbonylContact C-O 3.56Å; E88-I154 WeakPolarHBondContact CA-O 3.49Å; F89-I154 HydrophobicContact CB-CB 4.48Å; F89-I154 HydrophobicContact CD1-CB 4.36Å; F89-I154 HydrophobicContact CD1-CD1 3.54Å; F89-I154 HydrophobicContact CE1-CD1 3.93Å; F89-I154 PolarHBondContact N-O 3.49Å; F89-I154 PolarHBondContact O-N 2.76Å; V103-I154 HydrophobicContact CG1-CG1 4.24Å; V103-I154 HydrophobicContact CG2-CG1 4.49Å; I110-I154 HydrophobicContact CD1-CG2 3.77Å; I110-I154 HydrophobicContact CG2-CG2 4.43Å; V112-I154 HydrophobicContact CG2-CD1 3.58Å; V142-I154 HydrophobicContact CG1-CG2 3.85Å; T143-I154 CarbonylContact O-C 3.55Å; T143-I154 WeakPolarHBondContact O-CA 3.35Å; L152-I154 HydrophobicContact CD2-CD1 3.88Å; L152-I154 HydrophobicContact CD2-CG1 4.5Å; L152-I154 HydrophobicContact CG-CD1 3.95Å; L152-I154 HydrophobicContact CG-CG1 4.35Å
155R93.6Very high81.4Confident87 Ų8789.7 Ų89.733%0.32845%0.448SS..EExtended strand (participates in β ladder)trans-125.6136.3-179.2-172177.8177.6178.40.2110.7A86 Y87 V142 T143A86-R155 HydrophobicContact CB-CG 4.11Å; Y87-R155 CarbonylContact O-C 3.57Å; Y87-R155 VanDerWaalsContact O-CA 3.22Å; Y87-R155 WeakPolarHBondContact O-CA 3.42Å; Y87-R155 WeakPolarHBondContact O-CG 3.32Å; V142-R155 CarbonylContact C-O 3.45Å; V142-R155 WeakPolarHBondContact CA-O 3.43Å; T143-R155 PolarHBondContact N-O 2.76Å; T143-R155 PolarHBondContact O-N 3.46Å; T143-R155 PolarHBondContact OG1-O 3.04Å
156A93.2Very high79.4Confident2 Ų294.2 Ų94.22%0.01746%0.458CS..EExtended strand (participates in β ladder)trans-131.4137.7175.300000109.7A86 Y87 V137 V142A86-A156 CarbonylContact C-O 3.52Å; A86-A156 WeakPolarHBondContact CA-O 3.45Å; A86-A156 WeakPolarHBondContact CB-O 3.3Å; Y87-A156 PolarHBondContact N-O 3.31Å; Y87-A156 PolarHBondContact O-N 3.44Å; V137-A156 HydrophobicContact CG1-CB 3.61Å; V142-A156 HydrophobicContact CG2-CB 3.9Å
157R92.8Very high77.5Confident122 Ų12297.2 Ų97.246%0.4647%0.47SS..EExtended strand (participates in β ladder)trans-76.1150.8173.2-63.7-74.4-152.5178.77.6110.1D85 D138 S141D85-R157 IonicContact OD1-NH1 3.91Å; D85-R157 VanDerWaalsContact OD2-CD 3.24Å; D85-R157 WeakPolarHBondContact OD2-CD 3.25Å; D85-R157 IonicContact OD2-CZ 3.78Å; D85-R157 IonicContact OD2-NE 3.36Å; D85-R157 IonicContact OD2-NH1 3.92Å; D85-R157 PolarHBondContact OD2-NH1 3Å; D138-R157 PolarHBondContact N-O 3.45Å; S141-R157 WeakPolarHBondContact OG-CA 3.48Å; S141-R157 WeakPolarHBondContact OG-CB 3.23Å; S141-R157 PolarHBondContact OG-N 2.75Å; S141-R157 PolarHBondContact OG-O 3.21Å
158R90.6Very high76.1Confident93 Ų9395.1 Ų95.135%0.35148%0.476SS..BIsolated β-bridgetrans-80.2139.8165.6-59176.771.9-163.7-1.3107.1G84 D85 Y87 D136 P160G84-R158 WeakPolarHBondContact O-CD 3.23Å; G84-R158 PolarHBondContact O-NH1 3.09Å; G84-R158 VanDerWaalsContact O-NH1 3.09Å; D85-R158 VanDerWaalsContact O-CB 3.23Å; D85-R158 WeakPolarHBondContact O-CB 3.32Å; D85-R158 VanDerWaalsContact O-CG 3.23Å; D85-R158 WeakPolarHBondContact O-CG 3.38Å; D85-R158 PolarHBondContact O-N 3.12Å; Y87-R158 HydrophobicContact CD2-CG 3.78Å; Y87-R158 HydrophobicContact CE2-CG 3.35Å; Y87-R158 PolarHBondContact OH-NE 3.11Å; D136-R158 CarbonylContact O-C 3.57Å; D136-R158 WeakPolarHBondContact O-CA 3.06Å; D136-R158 IonicContact OD2-CZ 2.7Å; D136-R158 VanDerWaalsContact OD2-CZ 3.28Å; D136-R158 IonicContact OD2-NE 3.12Å; D136-R158 PolarHBondContact OD2-NE 3.07Å; D136-R158 IonicContact OD2-NH2 3.48Å; D136-R158 PolarHBondContact OD2-NH2 3.3Å; R158-P160 WeakPolarHBondContact O-CD 3.43Å; R158-P160 VanDerWaalsContact O-N 3.17Å
159H81.4Confident75.3Confident91 Ų9193.2 Ų93.242%0.42147%0.465SS..PPolyproline II helixtrans-53.2124.8165.4-75.896.5000107D136 V137 D138 H161D136-H159 PolarHBondContact O-N 2.82Å; D136-H159 PolarHBondContact O-ND1 2.82Å; V137-H159 VanDerWaalsContact C-ND1 3.29Å; V137-H159 PolarHBondContact O-CE1 3.33Å; V137-H159 PolarHBondContact O-ND1 2.79Å; V137-H159 VanDerWaalsContact O-ND1 3.17Å; D138-H159 WeakPolarHBondContact CA-CE1 3.31Å; D138-H159 PolarHBondContact N-ND1 3.32Å; D138-H159 IonicContact OD2-CD2 3.94Å; D138-H159 IonicContact OD2-NE2 2.78Å; D138-H159 PolarHBondContact OD2-NE2 2.82Å; H159-H161 PolarHBondContact O-N 2.76Å; H159-H161 VanDerWaalsContact O-N 3.12Å
160P66.3Low74.8Confident102 Ų10298.2 Ų98.266%0.66248%0.477SS*.PPolyproline II helixtrans-57126.5162.325.9-30.1000104.9R158 T162R158-P160 WeakPolarHBondContact O-CD 3.43Å; R158-P160 VanDerWaalsContact O-N 3.17Å; P160-T162 PolarHBondContact O-N 2.69Å; P160-T162 PolarHBondContact O-OG1 3.35Å
161H56.3Low74.3Confident157 Ų157103.7 Ų103.773%0.72751%0.509SS*.  trans-57.896.1167.3-160.6-98.5000104.8H159 E163H159-H161 PolarHBondContact O-N 2.76Å; H159-H161 VanDerWaalsContact O-N 3.12Å; H161-E163 IonicContact CE1-OE1 2.67Å; H161-E163 PolarHBondContact CE1-OE1 3.28Å; H161-E163 IonicContact ND1-OE1 3.79Å; H161-E163 PolarHBondContact ND1-OE1 3.26Å; H161-E163 PolarHBondContact O-N 2.72Å
162T53.9Low73.5Confident125 Ų125109.3 Ų109.377%0.76753%0.532SS*.  trans-69.681.7168.2-5.50000103.4P160 H164P160-T162 PolarHBondContact O-N 2.69Å; P160-T162 PolarHBondContact O-OG1 3.35Å; T162-H164 PolarHBondContact O-N 2.77Å
163E50.3Low72.6Confident135 Ų135116.5 Ų116.563%0.63157%0.569SS**  trans-45.3102.3152.9-70.5-83.9103.800103.8H161 V165H161-E163 IonicContact CE1-OE1 2.67Å; H161-E163 PolarHBondContact CE1-OE1 3.28Å; H161-E163 IonicContact ND1-OE1 3.79Å; H161-E163 PolarHBondContact ND1-OE1 3.26Å; H161-E163 PolarHBondContact O-N 2.72Å; E163-V165 PolarHBondContact O-N 2.82Å
164H47.9Very low71Confident170 Ų170124.2 Ų124.279%0.78760%0.599SS**  trans-67.481.5172.9-161-102.5000104.1T162 Q166T162-H164 PolarHBondContact O-N 2.77Å; H164-Q166 PolarHBondContact O-N 3.15Å
165V53.6Low69.9Low115 Ų115135 Ų13570%0.69766%0.655SS**  trans-58.5101.1169.4-179.80000102.6E163 Q167E163-V165 PolarHBondContact O-N 2.82Å; V165-Q167 PolarHBondContact O-N 2.91Å
166Q51.6Low68.8Low157 Ų157137.5 Ų137.573%0.73467%0.671SS**  trans-64.783.7170.9-174.9159.589.700104.6H164 T168H164-Q166 PolarHBondContact O-N 3.15Å; Q166-T168 PolarHBondContact O-N 2.8Å; Q166-T168 PolarHBondContact O-OG1 3.18Å
167Q53.8Low67.5Low131 Ų131144.6 Ų144.661%0.61271%0.706SS**  trans-69.395.9177.1-170.2161.68.800104V165 F169V165-Q167 PolarHBondContact O-N 2.91Å; Q167-F169 VanDerWaalsContact C-N 3.26Å; Q167-F169 HydrophobicContact CB-CE2 4.01Å; Q167-F169 HydrophobicContact CB-CZ 4.16Å; Q167-F169 HydrophobicContact CG-CE1 4.21Å; Q167-F169 HydrophobicContact CG-CE2 4.22Å; Q167-F169 HydrophobicContact CG-CZ 3.96Å; Q167-F169 WeakPolarHBondContact O-CD2 3.42Å; Q167-F169 WeakPolarHBondContact O-CE2 3.31Å; Q167-F169 PolarHBondContact O-N 3.06Å
168T64.6Low66.1Low127 Ų127145.8 Ų145.878%0.77972%0.719SS**  trans-65.693.1178.8-150000106.4Q166 R170Q166-T168 PolarHBondContact O-N 2.8Å; Q166-T168 PolarHBondContact O-OG1 3.18Å; T168-R170 PolarHBondContact O-N 2.77Å
169F74.9Confident64.6Low166 Ų166148.9 Ų148.973%0.72874%0.741SS**  trans-69.3100173.5-67.3-80.8000107.5Q167 T171Q167-F169 VanDerWaalsContact C-N 3.26Å; Q167-F169 HydrophobicContact CB-CE2 4.01Å; Q167-F169 HydrophobicContact CB-CZ 4.16Å; Q167-F169 HydrophobicContact CG-CE1 4.21Å; Q167-F169 HydrophobicContact CG-CE2 4.22Å; Q167-F169 HydrophobicContact CG-CZ 3.96Å; Q167-F169 WeakPolarHBondContact O-CD2 3.42Å; Q167-F169 WeakPolarHBondContact O-CE2 3.31Å; Q167-F169 PolarHBondContact O-N 3.06Å; F169-T171 PolarHBondContact O-N 3.24Å
170R80Confident63.6Low197 Ų197152.6 Ų152.674%0.74376%0.761SS**  trans-81.3105168.1-176.9-179.4170.2176.6-6.5107.9T168 E172T168-R170 PolarHBondContact O-N 2.77Å; R170-E172 HydrophobicContact CG-CG 4.09Å; R170-E172 IonicContact CZ-OE1 3.78Å; R170-E172 IonicContact CZ-OE2 2.76Å; R170-E172 IonicContact NE-OE1 3.66Å; R170-E172 PolarHBondContact NE-OE1 2.95Å; R170-E172 IonicContact NE-OE2 2.88Å; R170-E172 IonicContact NH2-OE1 3.22Å; R170-E172 PolarHBondContact NH2-OE1 2.66Å; R170-E172 IonicContact NH2-OE2 3.48Å
171T79.1Confident63.4Low124 Ų124155.9 Ų155.976%0.76177%0.767SS**  trans-81.9118.216735.80000109.7F169F169-T171 PolarHBondContact O-N 3.24Å
172E75.8Confident63.9Low148 Ų148155.9 Ų155.969%0.69277%0.77SS**  trans-107.2121.6167.4-60.7-169.897.500108.5R170R170-E172 HydrophobicContact CG-CG 4.09Å; R170-E172 IonicContact CZ-OE1 3.78Å; R170-E172 IonicContact CZ-OE2 2.76Å; R170-E172 IonicContact NE-OE1 3.66Å; R170-E172 PolarHBondContact NE-OE1 2.95Å; R170-E172 IonicContact NE-OE2 2.88Å; R170-E172 IonicContact NH2-OE1 3.22Å; R170-E172 PolarHBondContact NH2-OE1 2.66Å; R170-E172 IonicContact NH2-OE2 3.48Å
173I75.4Confident64.7Low159 Ų159158.2 Ų158.282%0.81577%0.771SS**  trans-114.1119.9174.5-56.3172.1000106.6
174K62.1Low65.9Low199 Ų199160.2 Ų160.287%0.86578%0.782SS**  trans-108.5128.5178.1178171.3157-178.30109.3
175I71.6Confident67.5Low229 Ų229159.3 Ų159.3100%1.17478%0.782SS**  trans-90.40167.655.7168.7000110.8

Retrieved 175 of 175 residues in 187.5 ms (Link to these results)