A0A096NPP1_PAPAN Loading...

Growth factor

AlphaFold DB , UniProt , Accession A0A096NPP1, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 187 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
1T43.1Very low57.9Low201 Ų201152.5 Ų152.5100%1.23379%0.786SS**  096.9027.60000108.7
2D44.1Very low58.9Low152 Ų152145 Ų14581%0.81376%0.757SS**  trans-159.889.6154.4-165.50.5000109.1R4D2-R4 PolarHBondContact O-N 3.34Å
3C48.3Very low60.1Low127 Ų127138.2 Ų138.286%0.85873%0.725SS**  trans-82.699.7169.1-89.80000107.6K5C3-K5 PolarHBondContact O-N 2.97Å
4R55Low61.5Low215 Ų215134.9 Ų134.981%0.81171%0.707SS**  trans-55.996.5169.3-171.9-177.7-64.1-176.20.2109.5D2 M6D2-R4 PolarHBondContact O-N 3.34Å; R4-M6 PolarHBondContact O-N 2.86Å
5K49.4Very low62.2Low206 Ų206138.3 Ų138.390%0.89671%0.707SS**  trans-61.699.2168-99.6177.4174.5174.20108C3 A7C3-K5 PolarHBondContact O-N 2.97Å; K5-A7 PolarHBondContact O-N 3.22Å
6M56.8Low63Low167 Ų167136.3 Ų136.382%0.82370%0.697SS**  trans-70.3111.5161.8-68.8-164.7-130.900107.3R4 R8R4-M6 PolarHBondContact O-N 2.86Å; M6-R8 PolarHBondContact O-N 3.26Å; M6-R8 VanDerWaalsContact O-N 3.14Å
7A60.1Low63.8Low73 Ų73134.2 Ų134.260%0.60369%0.685SS**  trans-59.8116.2171.900000108.3K5 F9K5-A7 PolarHBondContact O-N 3.22Å; A7-F9 PolarHBondContact O-N 3.14Å
8R66.8Low64.1Low246 Ų246130.2 Ų130.293%0.92868%0.675SS**  trans-75.6108170.8-70.9-176.7179.8169.2-0.5107.2M6M6-R8 PolarHBondContact O-N 3.26Å; M6-R8 VanDerWaalsContact O-N 3.14Å
9F69.4Low64.5Low133 Ų133128.1 Ų128.158%0.58366%0.664SS**  trans-70.5138.8170.7-66.8-75.4000109.5A7 V13 I14A7-F9 PolarHBondContact O-N 3.14Å; F9-V13 HydrophobicContact CB-CB 4.44Å; F9-V13 HydrophobicContact CD1-CG1 4.21Å; F9-I14 HydrophobicContact CB-CG1 4.17Å
10S74.2Confident64.7Low65 Ų65125 Ų12546%0.45565%0.654SS.*  trans-56.8144.7171.9176.80000110S12 V13 I14S10-S12 PolarHBondContact O-N 3.41Å; S10-S12 VanDerWaalsContact O-N 3.09Å; S10-S12 PolarHBondContact OG-OG 3.49Å; S10-V13 PolarHBondContact O-N 3.45Å; S10-I14 PolarHBondContact O-N 3.24Å
11S70.3Confident64.6Low92 Ų92126.1 Ų126.164%0.64365%0.654SS**Hα-helixtrans-53.4-32176.855.80000112.3I14 W15S11-I14 PolarHBondContact O-N 3.25Å; S11-W15 PolarHBondContact O-N 3.14Å
12S68.9Low65.3Low63 Ų63119.6 Ų119.644%0.44162%0.621SS.*Hα-helixtrans-62.4-40.4174.557.80000113.2S10 W15 I16S10-S12 PolarHBondContact O-N 3.41Å; S10-S12 VanDerWaalsContact O-N 3.09Å; S10-S12 PolarHBondContact OG-OG 3.49Å; S12-W15 PolarHBondContact O-N 3.11Å; S12-I16 WeakPolarHBondContact O-CD1 3.38Å; S12-I16 VanDerWaalsContact O-CG1 3.23Å; S12-I16 WeakPolarHBondContact O-CG1 3.28Å; S12-I16 PolarHBondContact O-N 3.11Å
13V75.5Confident65.9Low56 Ų56119.8 Ų119.834%0.33961%0.614SS.*Hα-helixtrans-70.6-38.4-179.3179.20000110.7F9 S10 W15 I16 M17F9-V13 HydrophobicContact CB-CB 4.44Å; F9-V13 HydrophobicContact CD1-CG1 4.21Å; S10-V13 PolarHBondContact O-N 3.45Å; V13-W15 VanDerWaalsContact C-N 3.32Å; V13-I16 PolarHBondContact O-N 3.32Å; V13-M17 WeakPolarHBondContact O-CG 3.41Å; V13-M17 PolarHBondContact O-N 3.43Å
14I78.9Confident66.3Low93 Ų93119.9 Ų119.948%0.47760%0.602SS.*Hα-helixtrans-63.8-42.2175.9-60.3171.4000110.1F9 S10 S11 M17 A18F9-I14 HydrophobicContact CB-CG1 4.17Å; S10-I14 PolarHBondContact O-N 3.24Å; S11-I14 PolarHBondContact O-N 3.25Å; I14-M17 PolarHBondContact O-N 3.03Å; I14-A18 WeakPolarHBondContact O-CB 3.4Å; I14-A18 PolarHBondContact O-N 3.42Å
15W71.7Confident66.2Low186 Ų186116 Ų11671%0.70560%0.597SS**Hα-helixtrans-62.6-45.3175.9-115.877.5000112.7S11 S12 V13 M17 A18 I19S11-W15 PolarHBondContact O-N 3.14Å; S12-W15 PolarHBondContact O-N 3.11Å; V13-W15 VanDerWaalsContact C-N 3.32Å; W15-M17 VanDerWaalsContact C-N 3.35Å; W15-M17 PolarHBondContact O-N 3.39Å; W15-A18 PolarHBondContact O-N 3.23Å; W15-I19 HydrophobicContact CE3-CD1 3.5Å; W15-I19 HydrophobicContact CE3-CG1 4.17Å; W15-I19 HydrophobicContact CZ3-CD1 3.73Å; W15-I19 HydrophobicContact CZ3-CG1 4.35Å; W15-I19 WeakPolarHBondContact O-CG1 3.49Å; W15-I19 PolarHBondContact O-N 3Å
16I75.3Confident66.3Low106 Ų106108.5 Ų108.554%0.54458%0.578SS.*Hα-helixtrans-60.2-45.8177.1-68.4162.2000110.3S12 V13 A18 I19 S20S12-I16 WeakPolarHBondContact O-CD1 3.38Å; S12-I16 VanDerWaalsContact O-CG1 3.23Å; S12-I16 WeakPolarHBondContact O-CG1 3.28Å; S12-I16 PolarHBondContact O-N 3.11Å; V13-I16 PolarHBondContact O-N 3.32Å; I16-A18 VanDerWaalsContact C-N 3.33Å; I16-A18 PolarHBondContact O-N 3.4Å; I16-I19 PolarHBondContact O-N 3.07Å; I16-S20 PolarHBondContact O-N 3.4Å; I16-S20 PolarHBondContact O-OG 3.46Å; I16-S20 VanDerWaalsContact O-OG 3.07Å
17M76.3Confident65.9Low100 Ų100106.1 Ų106.149%0.49357%0.568SS.*Hα-helixtrans-63.4-37.6177.7-70.3-167.4-5700112.7V13 I14 W15 K21V13-M17 WeakPolarHBondContact O-CG 3.41Å; V13-M17 PolarHBondContact O-N 3.43Å; I14-M17 PolarHBondContact O-N 3.03Å; W15-M17 VanDerWaalsContact C-N 3.35Å; W15-M17 PolarHBondContact O-N 3.39Å; M17-K21 VanDerWaalsContact O-CG 3.28Å; M17-K21 WeakPolarHBondContact O-CG 3.23Å; M17-K21 PolarHBondContact O-N 3.39Å; M17-K21 VanDerWaalsContact O-N 3.11Å
18A70.4Confident65.2Low62 Ų62108.7 Ų108.751%0.51258%0.576SS.*Hα-helixtrans-65.6-43.417800000112.3I14 W15 I16 K21 A22I14-A18 WeakPolarHBondContact O-CB 3.4Å; I14-A18 PolarHBondContact O-N 3.42Å; W15-A18 PolarHBondContact O-N 3.23Å; I16-A18 VanDerWaalsContact C-N 3.33Å; I16-A18 PolarHBondContact O-N 3.4Å; A18-K21 PolarHBondContact O-N 2.99Å; A18-A22 PolarHBondContact O-N 3.07Å; A18-A22 VanDerWaalsContact O-N 3.11Å
19I70.4Confident64.3Low90 Ų90101.3 Ų101.346%0.46257%0.567SS.*Hα-helixtrans-64.7-45.1176.9-64.9166.8000110.6W15 I16 K21 A22 F23W15-I19 HydrophobicContact CE3-CD1 3.5Å; W15-I19 HydrophobicContact CE3-CG1 4.17Å; W15-I19 HydrophobicContact CZ3-CD1 3.73Å; W15-I19 HydrophobicContact CZ3-CG1 4.35Å; W15-I19 WeakPolarHBondContact O-CG1 3.49Å; W15-I19 PolarHBondContact O-N 3Å; I16-I19 PolarHBondContact O-N 3.07Å; I19-K21 VanDerWaalsContact C-N 3.27Å; I19-K21 PolarHBondContact O-N 3.37Å; I19-A22 PolarHBondContact O-N 3.46Å; I19-A22 VanDerWaalsContact O-N 3.14Å; I19-F23 PolarHBondContact O-N 3.31Å; I19-F23 VanDerWaalsContact O-N 3.08Å
20S68.6Low63.1Low66 Ų6697.7 Ų97.746%0.46257%0.568SS.*Hα-helixtrans-60.2-38.2179.3-60.50000112I16 F23 E24I16-S20 PolarHBondContact O-N 3.4Å; I16-S20 PolarHBondContact O-OG 3.46Å; I16-S20 VanDerWaalsContact O-OG 3.07Å; S20-F23 PolarHBondContact O-N 3.01Å; S20-E24 WeakPolarHBondContact O-CG 3.44Å; S20-E24 PolarHBondContact O-N 2.91Å
21K63Low61.6Low149 Ų149102.6 Ų102.665%0.64859%0.588SS**Hα-helixtrans-70.7-32.8176.6-67-64.2177.8-174.30113.2M17 A18 I19 L25M17-K21 VanDerWaalsContact O-CG 3.28Å; M17-K21 WeakPolarHBondContact O-CG 3.23Å; M17-K21 PolarHBondContact O-N 3.39Å; M17-K21 VanDerWaalsContact O-N 3.11Å; A18-K21 PolarHBondContact O-N 2.99Å; I19-K21 VanDerWaalsContact C-N 3.27Å; I19-K21 PolarHBondContact O-N 3.37Å; K21-L25 WeakPolarHBondContact O-CG 3.43Å; K21-L25 PolarHBondContact O-N 3.06Å
22A59.1Low60Low65 Ų65103.2 Ų103.254%0.53759%0.593SS.*Hα-helixtrans-67.6-35.8174.500000112.3A18 I19 L25 G26A18-A22 PolarHBondContact O-N 3.07Å; A18-A22 VanDerWaalsContact O-N 3.11Å; I19-A22 PolarHBondContact O-N 3.46Å; I19-A22 VanDerWaalsContact O-N 3.14Å; A22-L25 PolarHBondContact O-N 3.06Å; A22-G26 PolarHBondContact O-N 3.3Å
23F55.6Low58.4Low155 Ų155107.9 Ų107.968%0.6861%0.607SS**Hα-helixtrans-70.7-37.6178.8-136.2-96.5000112.6I19 S20 G26 L27I19-F23 PolarHBondContact O-N 3.31Å; I19-F23 VanDerWaalsContact O-N 3.08Å; S20-F23 PolarHBondContact O-N 3.01Å; F23-G26 PolarHBondContact O-N 3.08Å; F23-L27 HydrophobicContact CD1-CD1 4.06Å; F23-L27 HydrophobicContact CE1-CD1 4.17Å; F23-L27 PolarHBondContact O-N 3.04Å
24E56.5Low56.3Low130 Ų130113.2 Ų113.261%0.60763%0.628SS**Hα-helixtrans-64.2-38.7173.5-70.2-66160.900112.3S20 L27 V28S20-E24 WeakPolarHBondContact O-CG 3.44Å; S20-E24 PolarHBondContact O-N 2.91Å; E24-L27 PolarHBondContact O-N 3.09Å; E24-V28 PolarHBondContact O-N 2.89Å
25L52.6Low54.2Low133 Ų133116.7 Ų116.770%0.69664%0.642SS**Hα-helixtrans-71.1-31175.7-69.8171.7000112.7K21 A22K21-L25 WeakPolarHBondContact O-CG 3.43Å; K21-L25 PolarHBondContact O-N 3.06Å; A22-L25 PolarHBondContact O-N 3.06Å
26G52.8Low52.3Low49 Ų49116 Ų11651%0.50565%0.645SS.*Hα-helixtrans-72.1-32174.900000113.8A22 F23A22-G26 PolarHBondContact O-N 3.3Å; F23-G26 PolarHBondContact O-N 3.08Å
27L48Very low50.1Low116 Ų116115 Ų11561%0.60765%0.653SS**Hα-helixtrans-73.3-33.3177.9-118.9101.8000112.9F23 E24F23-L27 HydrophobicContact CD1-CD1 4.06Å; F23-L27 HydrophobicContact CE1-CD1 4.17Å; F23-L27 PolarHBondContact O-N 3.04Å; E24-L27 PolarHBondContact O-N 3.09Å
28V45.9Very low48.1Very low128 Ų128121.2 Ų121.278%0.77667%0.671SS**Hα-helixtrans-75.9-22.3-178.5171.70000112.8E24E24-V28 PolarHBondContact O-N 2.89Å
29A46.5Very low46.2Very low90 Ų90124.5 Ų124.574%0.74469%0.687SS**THydrogen-bonded Turntrans-92.9-2.2-179.700000114.6
30G45.5Very low44.4Very low58 Ų58125.4 Ų125.460%0.59870%0.701SS**SBendtrans-101.710.1-167.600000117.5
31L42Very low42.6Very low168 Ų168134.6 Ų134.688%0.8873%0.725SS**  trans-133.261.6-176.3-76.1168.5000112.8
32S35.8Very low41Very low105 Ų105131 Ų13173%0.73473%0.73SS**  trans-142.8115.2163.3173.10000111.6
33H36.2Very low39.7Very low161 Ų161135.3 Ų135.375%0.74575%0.745SS**  trans64.8106.2157.3-91.8-74.6000119.4
34Q31.5Very low38.7Very low167 Ų167136 Ų13678%0.7875%0.754SS**  -152.281.7118.1-160.8161.611.600111.8F36Q34-F36 HydrophobicContact CG-CD2 3.46Å; Q34-F36 VanDerWaalsContact CG-CD2 3.46Å; Q34-F36 HydrophobicContact CG-CE2 3.85Å
35E34.3Very low37.4Very low166 Ų166134 Ų13478%0.77676%0.761SS**  trans-86.4111.5161.9-158.9167176.300107.2
36F32.9Very low36.4Very low171 Ų171137 Ų13775%0.7577%0.769SS**  trans-129.596167-87.1-77.2000110.4Q34Q34-F36 HydrophobicContact CG-CD2 3.46Å; Q34-F36 VanDerWaalsContact CG-CD2 3.46Å; Q34-F36 HydrophobicContact CG-CE2 3.85Å
37A28.4Very low35.5Very low87 Ų87144.9 Ų144.972%0.71978%0.783SS**  trans27.2111.8135.200000118.9
38R33.6Very low34.8Very low230 Ų230145 Ų14587%0.86878%0.784SS**  trans-55.4150.2143.8-77.1-179.7168124.6-3.3110.8
39P31.9Very low34.1Very low131 Ų131145.2 Ų145.285%0.85178%0.781SS**  trans-108121.114223.8-8.3000110.1
40S32Very low33.6Very low108 Ų108145.2 Ų145.276%0.75578%0.776SS**  trans-111.3124159.2-64.20000107.2
41R29.6Very low33Very low259 Ų259149.9 Ų149.998%0.97779%0.785SS**  trans-177.1123.9149-167.6161.5169.5-173-5.3112.1
42G31.1Very low32.3Very low73 Ų73153.4 Ų153.475%0.75379%0.787SS**  trans131.386.2147.800000117
43D30.6Very low32.4Very low156 Ų156152.8 Ų152.883%0.83478%0.781SS**  trans-56.5144.3153-79-51.8000111.3
44L33.9Very low32.1Very low169 Ų169153.4 Ų153.489%0.88578%0.784SS**  160.2142.2115.1-81.2176.3000113.2
45A29.6Very low32.1Very low90 Ų90154 Ų15474%0.74479%0.787SS**  trans84.488.5153.600000119.8
46F32.2Very low31.9Very low196 Ų196153.8 Ų153.886%0.8679%0.786SS**  5.2124.7116.5-126.2-94.5000116.4
47R33.6Very low32Very low213 Ų213151.3 Ų151.380%0.80479%0.787SS**  trans-16395.9144.1-94.8-101.1171-170.7-3109.7D49R47-D49 IonicContact NH1-OD2 2.95Å; R47-D49 PolarHBondContact NH1-OD2 3.02Å
48D33.7Very low32.6Very low120 Ų120151 Ų15164%0.64278%0.784SS**  trans-70.1134.7150.1175.538.3000108S50D48-S50 PolarHBondContact OD1-OG 3.2Å
49D32.1Very low33Very low132 Ų132147.7 Ų147.771%0.70678%0.782SS**  trans-152.2115.7157.6-98.8-41.6000107.9R47R47-D49 IonicContact NH1-OD2 2.95Å; R47-D49 PolarHBondContact NH1-OD2 3.02Å
50S34.3Very low33.4Very low90 Ų90152.1 Ų152.163%0.62978%0.782SS**  trans-102.7146.4-176.3-63.60000111.6D48D48-S50 PolarHBondContact OD1-OG 3.2Å
51I33.9Very low33.8Very low156 Ų156153.3 Ų153.380%0.879%0.787SS**  trans82.7115.4150-40.5-157.1000120.7
52R27.2Very low34Very low241 Ų241151.8 Ų151.891%0.90978%0.781SS**  -152.4138.3120.6-122-153.4156.7-146.2-6.6113.6
53P38.5Very low34.5Very low93 Ų93152.7 Ų152.760%0.60478%0.776SS**  trans-104.7176.7-176.640.2-31.5000113.8
54Q29.5Very low35.6Very low174 Ų174150.3 Ų150.381%0.81377%0.771SS**  trans99.2127176.4-56-105.1-34.300112.2
55E30.1Very low36.1Very low180 Ų180149.9 Ų149.984%0.84177%0.765SS**  cis-161.8154.529.1-153.1169.3157.600109.7
56E31.6Very low37.1Very low161 Ų161153.5 Ų153.575%0.75277%0.766SS**  trans-78.9159.5-167.1-177.3148.8127.700114.8A58E56-A58 VanDerWaalsContact CG-N 3.27Å
57P33.5Very low37.9Very low119 Ų119150.2 Ų150.277%0.77376%0.761SS**  -135.4134.610818.51.8000113.8I59P57-I59 PolarHBondContact O-N 3.39Å
58A42.4Very low38.3Very low80 Ų80144.4 Ų144.466%0.66175%0.753SS**  trans-54110.5-176.900000113.9E56E56-A58 VanDerWaalsContact CG-N 3.27Å
59I41.9Very low39.2Very low161 Ų161144.7 Ų144.783%0.82676%0.762SS**  trans-106.4105.6164.3-56.1-174.7000107.8P57P57-I59 PolarHBondContact O-N 3.39Å
60R40.4Very low40Very low224 Ų224147.8 Ų147.885%0.84577%0.774SS**  trans-44.3137.5176.8-64.4-169.8-103.2178.3-7.2111.7R62R60-R62 PolarHBondContact O-N 3.14Å
61P39.8Very low40.4Very low133 Ų133147 Ų14786%0.86478%0.78SS**  trans-66.8104.3168.525.8-28.8000108.1S63P61-S63 PolarHBondContact O-N 3.29Å
62R33.7Very low41.4Very low227 Ų227146.7 Ų146.786%0.85778%0.779SS**  trans-69.1105.5178.4-173.6170.7-176.6165.6-0.4108.2R60R60-R62 PolarHBondContact O-N 3.14Å
63S41.9Very low42.3Very low92 Ų92144.4 Ų144.464%0.64378%0.779SS**  trans12.6115.5155.8-166.20000116.3P61 Q65P61-S63 PolarHBondContact O-N 3.29Å; S63-Q65 PolarHBondContact O-N 3.1Å
64S54Low42.7Very low105 Ų105146.3 Ų146.373%0.73478%0.784SS**  trans-36.799.2161.9-177.60000111.6H66S64-H66 VanDerWaalsContact C-N 3.32Å; S64-H66 PolarHBondContact O-N 2.03Å
65Q44.4Very low43.9Very low161 Ų161143.4 Ų143.475%0.75278%0.783SS**  trans-90.583.8162.8-73.8-172.8-9.600107.1S63 V67S63-Q65 PolarHBondContact O-N 3.1Å; Q65-V67 PolarHBondContact O-N 3.4Å; Q65-V67 VanDerWaalsContact O-N 3.08Å
66H50.6Low44.8Very low165 Ų165144.5 Ų144.576%0.76479%0.785SS**  trans-59.8104.4163.1-142.3102.8000107.1S64 S68S64-H66 VanDerWaalsContact C-N 3.32Å; S64-H66 PolarHBondContact O-N 2.03Å; H66-S68 PolarHBondContact O-N 2.96Å
67V48.8Very low45.7Very low127 Ų127145.4 Ų145.477%0.7779%0.789SS**  trans-84.8109.6172.9-179.50000107.1Q65Q65-V67 PolarHBondContact O-N 3.4Å; Q65-V67 VanDerWaalsContact O-N 3.08Å
68S42.6Very low46.4Very low91 Ų91145.1 Ų145.164%0.63678%0.78SS**PPolyproline II helixtrans-65130.1174-56.20000110.4H66 M70H66-S68 PolarHBondContact O-N 2.96Å; S68-M70 PolarHBondContact O-N 3.48Å
69P52.3Low46.9Very low127 Ų127149.3 Ų149.383%0.82579%0.792SS**PPolyproline II helixtrans-66.3120.8166.6-14.628.6000109.4
70M47.8Very low47.6Very low196 Ų196151 Ų15197%0.96679%0.788SS**PPolyproline II helixtrans-73.3122168.6-69.7-174.9175.200109.3S68S68-M70 PolarHBondContact O-N 3.48Å
71G43.8Very low49.2Very low73 Ų73145.4 Ų145.475%0.75378%0.778SS**  trans151.960.8172.600000113.9Q73G71-Q73 PolarHBondContact O-N 2.77Å
72I55Low51.5Low151 Ų151140.7 Ų140.777%0.77475%0.748SS**  trans-76.4104175.4-59.6-179.3000108.8
73Q45.8Very low54.3Low192 Ų192130.4 Ų130.490%0.89771%0.711SS**SBendtrans-101.7109.3140.4-70.5-16938.900107.3G71 S75G71-Q73 PolarHBondContact O-N 2.77Å; Q73-S75 PolarHBondContact O-N 2.87Å
74N46.2Very low56.8Low133 Ų133129.8 Ų129.871%0.71170%0.7SS**  trans8.794.9170.3-66.1-25.9000117.7K76N74-K76 PolarHBondContact O-N 2.81Å; N74-K76 VanDerWaalsContact O-N 3.08Å
75S54.9Low58.6Low113 Ų113128.6 Ų128.679%0.7969%0.686SS**THydrogen-bonded Turntrans-67.83.1171.7570000115.3Q73Q73-S75 PolarHBondContact O-N 2.87Å
76K49.4Very low60.8Low203 Ų203124.1 Ų124.188%0.88368%0.683SS**THydrogen-bonded Turntrans-94.5-3.4-172.2-156.3-178172.8-169.50114.6N74N74-K76 PolarHBondContact O-N 2.81Å; N74-K76 VanDerWaalsContact O-N 3.08Å
77E50.3Low62.9Low181 Ų181117.1 Ų117.185%0.84666%0.655SS**SBendtrans-124.93.4179.4-134160.5-164.600114.3
78L47.9Very low65Low113 Ų113115.3 Ų115.359%0.59264%0.644SS**  trans-115.778.7168.5-64.7172.9000109.1R80L78-R80 HydrophobicContact CB-CB 4.36Å; L78-R80 HydrophobicContact CB-CG 4.41Å; L78-R80 HydrophobicContact CD2-CG 4.33Å; L78-R80 PolarHBondContact O-N 2.82Å
79N52.8Low67.5Low168 Ų168113.3 Ų113.390%0.89863%0.63SS**  trans-64.570.9153.9-178.4-2.5000108.6
80R56.8Low69.4Low197 Ų197112.2 Ų112.274%0.74362%0.615SS**  trans-142.2100.4-174.8-62.9-163.2-177.8168.41.1109.2L78 C82L78-R80 HydrophobicContact CB-CB 4.36Å; L78-R80 HydrophobicContact CB-CG 4.41Å; L78-R80 HydrophobicContact CD2-CG 4.33Å; L78-R80 PolarHBondContact O-N 2.82Å; R80-C82 PolarHBondContact O-N 3.17Å
81T74.7Confident71.3Confident106 Ų106110.7 Ų110.765%0.6561%0.61SS**  trans-46.7129.5153.438.40000108.4C83T81-C83 VanDerWaalsContact CB-O 3.27Å; T81-C83 WeakPolarHBondContact CB-O 3.32Å; T81-C83 PolarHBondContact O-N 3.13Å; T81-C83 PolarHBondContact OG1-O 3.15Å; T81-C83 VanDerWaalsContact OG1-O 3.14Å
82C87.8Confident73.1Confident34 Ų34110.1 Ų110.123%0.2360%0.604CS.*SBendtrans-48.6-32.7177.2158.60000112.6R80 C89 C95 N105R80-C82 PolarHBondContact O-N 3.17Å; C82-C89 HydrophobicContact CB-CB 3.58Å; C82-C89 WeakPolarHBondContact CB-SG 3.44Å; C82-C89 WeakPolarHBondContact SG-CB 3Å; C82-C89 CovalentContact SG-SG 2.04Å; C82-C89 PolarHBondContact SG-SG 2.04Å; C82-C95 PolarHBondContact O-SG 3.31Å; C82-N105 PolarHBondContact O-ND2 2.8Å
83C93.1Very high74.6Confident11 Ų11106 Ų1067%0.07459%0.589CS.*SBendtrans-126.3151.5175-48.40000111.2T81 G87 C95T81-C83 VanDerWaalsContact CB-O 3.27Å; T81-C83 WeakPolarHBondContact CB-O 3.32Å; T81-C83 PolarHBondContact O-N 3.13Å; T81-C83 PolarHBondContact OG1-O 3.15Å; T81-C83 VanDerWaalsContact OG1-O 3.14Å; C83-G87 WeakPolarHBondContact CB-O 2.95Å; C83-C95 WeakPolarHBondContact CA-SG 3.36Å; C83-C95 HydrophobicContact CB-CB 3.93Å; C83-C95 WeakPolarHBondContact CB-SG 3.41Å; C83-C95 WeakPolarHBondContact SG-CA 3.16Å; C83-C95 WeakPolarHBondContact SG-CB 3.46Å; C83-C95 CovalentContact SG-SG 2.03Å; C83-C95 PolarHBondContact SG-SG 3.24Å
84L93Very high76.7Confident78 Ų78103.7 Ų103.741%0.40858%0.576SS.*SBendtrans-101173.9173.8-54.7178.9000110.1G86 G87 N105 C106 E107L84-G86 PolarHBondContact O-N 2.88Å; L84-G87 PolarHBondContact O-N 3.31Å; L84-N105 VanDerWaalsContact CB-O 3.28Å; L84-N105 WeakPolarHBondContact CB-O 3.47Å; L84-N105 PolarHBondContact N-O 3.4Å; L84-C106 WeakPolarHBondContact O-CB 3.38Å; L84-E107 HydrophobicContact CD1-CB 3.9Å
85N92.3Very high79.1Confident81 Ų8198.8 Ų98.843%0.43355%0.551SS.*THydrogen-bonded Turntrans50.435.9168.3-60.3-44.8000115.5G87 F101 C106N85-G87 VanDerWaalsContact C-N 3.35Å; N85-F101 HydrophobicContact CB-CB 4.43Å; N85-F101 HydrophobicContact CB-CD1 3.44Å; N85-F101 VanDerWaalsContact CB-CD1 3.44Å; N85-F101 HydrophobicContact CB-CD2 3.94Å; N85-F101 HydrophobicContact CB-CE1 3.5Å; N85-F101 HydrophobicContact CB-CE2 4.01Å; N85-F101 HydrophobicContact CB-CG 3.67Å; N85-F101 HydrophobicContact CB-CZ 3.8Å; N85-F101 WeakPolarHBondContact ND2-CD1 3.44Å; N85-C106 PolarHBondContact ND2-O 3.49Å
86G91.4Very high81Confident67 Ų6795.9 Ų95.969%0.69153%0.534SS*.THydrogen-bonded Turntrans7715.2179.400000115.1L84L84-G86 PolarHBondContact O-N 2.88Å
87G93.7Very high83.2Confident18 Ų1888.4 Ų88.419%0.18651%0.507CS..  trans-65.4147.4172.100000113.1C83 L84 N85 A96C83-G87 WeakPolarHBondContact CB-O 2.95Å; L84-G87 PolarHBondContact O-N 3.31Å; N85-G87 VanDerWaalsContact C-N 3.35Å; G87-A96 WeakPolarHBondContact CA-O 3.09Å
88T93.4Very high85.3Confident88 Ų8881.8 Ų81.854%0.5448%0.48SS..EExtended strand (participates in β ladder)trans-96.6127.2177.7-590000110.3M90 C95 A96T88-M90 PolarHBondContact O-N 2.85Å; T88-C95 WeakPolarHBondContact O-CA 3.47Å; T88-A96 PolarHBondContact N-O 2.92Å; T88-A96 PolarHBondContact O-N 3.19Å
89C94.1Very high87.2Confident49 Ų4982.8 Ų82.833%0.33149%0.493SS..EExtended strand (participates in β ladder)trans-83.4111.5178.9-169.90000111.3C82 G92 S93 F94C82-C89 HydrophobicContact CB-CB 3.58Å; C82-C89 WeakPolarHBondContact CB-SG 3.44Å; C82-C89 WeakPolarHBondContact SG-CB 3Å; C82-C89 CovalentContact SG-SG 2.04Å; C82-C89 PolarHBondContact SG-SG 2.04Å; C89-G92 WeakPolarHBondContact SG-CA 3.34Å; C89-S93 PolarHBondContact SG-N 2.97Å; C89-S93 VanDerWaalsContact SG-N 3.42Å; C89-F94 CarbonylContact C-O 3.55Å; C89-F94 WeakPolarHBondContact CA-O 3.28Å
90M92.9Very high88.9Confident104 Ų10475.8 Ų75.851%0.51246%0.457SS..EExtended strand (participates in β ladder)trans-87.7125.6172.8-56.7-64.3-74.300108.9T88 G92 S93 F94 A96T88-M90 PolarHBondContact O-N 2.85Å; M90-G92 PolarHBondContact O-N 2.86Å; M90-S93 PolarHBondContact O-N 2.95Å; M90-F94 HydrophobicContact CB-CB 4.22Å; M90-F94 PolarHBondContact N-O 2.81Å; M90-F94 PolarHBondContact O-N 3.35Å; M90-A96 HydrophobicContact CG-CB 4.47Å
91L87.1Confident90.6Very high165 Ų16568.4 Ų68.486%0.86443%0.431SS*.THydrogen-bonded Turntrans56.419.2176.8-55.8172.5000115.2S93L91-S93 VanDerWaalsContact C-N 3.33Å; L91-S93 PolarHBondContact O-N 3.4Å
92G82.4Confident91.3Very high61 Ų6168.2 Ų68.263%0.62942%0.419SS*.THydrogen-bonded Turntrans81.43.4178.700000115.3C89 M90C89-G92 WeakPolarHBondContact SG-CA 3.34Å; M90-G92 PolarHBondContact O-N 2.86Å
93S85.7Confident91.5Very high65 Ų6568 Ų6846%0.45542%0.423SS..THydrogen-bonded Turntrans-145.3-29.4-175.660.60000116.3C89 M90 L91C89-S93 PolarHBondContact SG-N 2.97Å; C89-S93 VanDerWaalsContact SG-N 3.42Å; M90-S93 PolarHBondContact O-N 2.95Å; L91-S93 VanDerWaalsContact C-N 3.33Å; L91-S93 PolarHBondContact O-N 3.4Å
94F91Very high91.5Very high142 Ų14277.1 Ų77.162%0.62346%0.456SS*.EExtended strand (participates in β ladder)trans-100.1141.5-177.8-61.4-82.5000110.7C89 M90C89-F94 CarbonylContact C-O 3.55Å; C89-F94 WeakPolarHBondContact CA-O 3.28Å; M90-F94 HydrophobicContact CB-CB 4.22Å; M90-F94 PolarHBondContact N-O 2.81Å; M90-F94 PolarHBondContact O-N 3.35Å
95C95.3Very high91.6Very high30 Ų3076.1 Ų76.120%0.20345%0.451CS..EExtended strand (participates in β ladder)trans-107.6129.1-178.9-67.70000112.5C82 C83 T88 R104C82-C95 PolarHBondContact O-SG 3.31Å; C83-C95 WeakPolarHBondContact CA-SG 3.36Å; C83-C95 HydrophobicContact CB-CB 3.93Å; C83-C95 WeakPolarHBondContact CB-SG 3.41Å; C83-C95 WeakPolarHBondContact SG-CA 3.16Å; C83-C95 WeakPolarHBondContact SG-CB 3.46Å; C83-C95 CovalentContact SG-SG 2.03Å; C83-C95 PolarHBondContact SG-SG 3.24Å; T88-C95 WeakPolarHBondContact O-CA 3.47Å; C95-R104 WeakPolarHBondContact CB-O 3.48Å; C95-R104 PolarHBondContact SG-O 3.22Å
96A95.1Very high91.6Very high52 Ų5272.2 Ų72.243%0.4343%0.43SS..EExtended strand (participates in β ladder)trans-91.4112160.700000108.6G87 T88 M90G87-A96 WeakPolarHBondContact CA-O 3.09Å; T88-A96 PolarHBondContact N-O 2.92Å; T88-A96 PolarHBondContact O-N 3.19Å; M90-A96 HydrophobicContact CG-CB 4.47Å
97C95.9Very high91.7Very high46 Ų4672.7 Ų72.731%0.31141%0.414SS..  trans-90.9142.9-175.4-57.50000112.5F101 C106C97-F101 WeakPolarHBondContact CB-O 3.38Å; C97-C106 WeakPolarHBondContact CA-SG 3.07Å; C97-C106 HydrophobicContact CB-CB 3.88Å; C97-C106 WeakPolarHBondContact CB-SG 3.44Å; C97-C106 WeakPolarHBondContact SG-CA 3.01Å; C97-C106 WeakPolarHBondContact SG-CB 3.21Å; C97-C106 CovalentContact SG-SG 2.04Å; C97-C106 PolarHBondContact SG-SG 3.1Å
98P93.9Very high91.4Very high43 Ų4375.4 Ų75.428%0.27942%0.422SS..  trans-61.1160.9168.5-19.632.2000111.5S100 F101P98-S100 PolarHBondContact O-N 3Å; P98-F101 HydrophobicContact CB-CD2 4.42Å; P98-F101 PolarHBondContact O-N 2.73Å
99P89.1Confident91.2Very high134 Ų13473.2 Ų73.287%0.8741%0.407SS*.THydrogen-bonded Turntrans-55.9-19.9-169.2-28.835.2000117.2
100S88.6Confident90.6Very high20 Ų2073.9 Ų73.914%0.1441%0.409CS..THydrogen-bonded Turntrans-105.80-176.5-50.50000113.6P98 V110 R111P98-S100 PolarHBondContact O-N 3Å; S100-V110 WeakPolarHBondContact O-CB 3.39Å; S100-V110 WeakPolarHBondContact O-CG2 3.23Å; S100-V110 PolarHBondContact O-N 3.49Å; S100-R111 PolarHBondContact OG-NH1 2.03Å; S100-R111 PolarHBondContact OG-NH2 2.92Å
101F91.6Very high89.7Confident43 Ų4375.9 Ų75.919%0.18941%0.411CS..EExtended strand (participates in β ladder)trans-121146.9178.9-62.5-85.8000110.8N85 C97 P98 C106 H108 D109N85-F101 HydrophobicContact CB-CB 4.43Å; N85-F101 HydrophobicContact CB-CD1 3.44Å; N85-F101 VanDerWaalsContact CB-CD1 3.44Å; N85-F101 HydrophobicContact CB-CD2 3.94Å; N85-F101 HydrophobicContact CB-CE1 3.5Å; N85-F101 HydrophobicContact CB-CE2 4.01Å; N85-F101 HydrophobicContact CB-CG 3.67Å; N85-F101 HydrophobicContact CB-CZ 3.8Å; N85-F101 WeakPolarHBondContact ND2-CD1 3.44Å; C97-F101 WeakPolarHBondContact CB-O 3.38Å; P98-F101 HydrophobicContact CB-CD2 4.42Å; P98-F101 PolarHBondContact O-N 2.73Å; F101-C106 HydrophobicContact CB-CB 4.12Å; F101-H108 CarbonylContact C-O 3.49Å; F101-H108 WeakPolarHBondContact CA-O 3.35Å; F101-H108 WeakPolarHBondContact CB-O 2.98Å; F101-H108 WeakPolarHBondContact CD1-O 3.25Å; F101-D109 HydrophobicContact CD1-CB 3.77Å; F101-D109 HydrophobicContact CE1-CB 3.52Å; F101-D109 HydrophobicContact CZ-CB 4.45Å
102Y90.6Very high89.1Confident101 Ų10176 Ų7640%0.39640%0.404SS..EExtended strand (participates in β ladder)trans-146.4176.3177.676.3-85.3000110.8C106 E107 H108 V110 E113Y102-C106 CarbonylContact O-C 3.34Å; Y102-C106 WeakPolarHBondContact O-CA 3.49Å; Y102-E107 PolarHBondContact O-N 3.4Å; Y102-H108 HydrophobicContact CD1-CB 3.55Å; Y102-H108 HydrophobicContact CD2-CB 3.98Å; Y102-H108 AromaticContact CD2-CD2 3.98Å; Y102-H108 HydrophobicContact CE1-CB 3.29Å; Y102-H108 HydrophobicContact CE2-CB 3.72Å; Y102-H108 AromaticContact CE2-CD2 3.64Å; Y102-H108 AromaticContact CE2-CG 3.8Å; Y102-H108 HydrophobicContact CG-CB 3.9Å; Y102-H108 AromaticContact CZ-CG 3.77Å; Y102-H108 PolarHBondContact N-O 3.31Å; Y102-H108 WeakPolarHBondContact O-CB 3.29Å; Y102-H108 PolarHBondContact O-N 3.22Å; Y102-V110 HydrophobicContact CD1-CG2 3.64Å; Y102-V110 HydrophobicContact CE1-CG2 4.09Å; Y102-E113 WeakPolarHBondContact CE1-OE1 3.12Å; Y102-E113 VanDerWaalsContact OH-CD 3.3Å; Y102-E113 PolarHBondContact OH-OE1 2.86Å; Y102-E113 PolarHBondContact OH-OE2 3.39Å; Y102-E113 VanDerWaalsContact OH-OE2 3.1Å
103G91.9Very high88.5Confident31 Ų3175.7 Ų75.732%0.3239%0.387SS..SBendtrans106.7171.4-173.200000111.8N105 C106 E107G103-N105 PolarHBondContact O-N 2.88Å; G103-C106 PolarHBondContact O-N 3.39Å; G103-E107 VanDerWaalsContact C-OE2 3.31Å; G103-E107 WeakPolarHBondContact CA-OE2 3.22Å
104R93.1Very high87.9Confident201 Ų20174.9 Ų74.976%0.75838%0.377SS*.THydrogen-bonded Turntrans-64-32.3-175.8-178.8-177.7-69140.9-1.9111.2C95 E107C95-R104 WeakPolarHBondContact CB-O 3.48Å; C95-R104 PolarHBondContact SG-O 3.22Å; R104-E107 PolarHBondContact N-OE1 3.17Å; R104-E107 PolarHBondContact N-OE2 2.93Å
105N93.9Very high87.4Confident57 Ų5769.3 Ų69.331%0.30536%0.356SS..THydrogen-bonded Turntrans-120.320.3-176.9-57.6102.5000111.2C82 L84 G103 E107C82-N105 PolarHBondContact O-ND2 2.8Å; L84-N105 VanDerWaalsContact CB-O 3.28Å; L84-N105 WeakPolarHBondContact CB-O 3.47Å; L84-N105 PolarHBondContact N-O 3.4Å; G103-N105 PolarHBondContact O-N 2.88Å; N105-E107 VanDerWaalsContact C-OE2 3.25Å; N105-E107 WeakPolarHBondContact CA-OE2 3.44Å; N105-E107 PolarHBondContact N-OE2 3.41Å; N105-E107 PolarHBondContact O-N 3.28Å
106C93.7Very high86.6Confident0 Ų070.4 Ų70.40%037%0.372CS..SBendtrans56.434-174.9-45.50000113.5L84 N85 C97 F101 Y102 G103L84-C106 WeakPolarHBondContact O-CB 3.38Å; N85-C106 PolarHBondContact ND2-O 3.49Å; C97-C106 WeakPolarHBondContact CA-SG 3.07Å; C97-C106 HydrophobicContact CB-CB 3.88Å; C97-C106 WeakPolarHBondContact CB-SG 3.44Å; C97-C106 WeakPolarHBondContact SG-CA 3.01Å; C97-C106 WeakPolarHBondContact SG-CB 3.21Å; C97-C106 CovalentContact SG-SG 2.04Å; C97-C106 PolarHBondContact SG-SG 3.1Å; F101-C106 HydrophobicContact CB-CB 4.12Å; Y102-C106 CarbonylContact O-C 3.34Å; Y102-C106 WeakPolarHBondContact O-CA 3.49Å; G103-C106 PolarHBondContact O-N 3.39Å
107E91.9Very high85.7Confident76 Ų7674 Ų7436%0.35539%0.394SS..  trans-76.1-23.6-175.365.9-84.9-15700113.7L84 Y102 G103 R104 N105L84-E107 HydrophobicContact CD1-CB 3.9Å; Y102-E107 PolarHBondContact O-N 3.4Å; G103-E107 VanDerWaalsContact C-OE2 3.31Å; G103-E107 WeakPolarHBondContact CA-OE2 3.22Å; R104-E107 PolarHBondContact N-OE1 3.17Å; R104-E107 PolarHBondContact N-OE2 2.93Å; N105-E107 VanDerWaalsContact C-OE2 3.25Å; N105-E107 WeakPolarHBondContact CA-OE2 3.44Å; N105-E107 PolarHBondContact N-OE2 3.41Å; N105-E107 PolarHBondContact O-N 3.28Å
108H88.8Confident84.8Confident75 Ų7573 Ų7335%0.34739%0.386SS..EExtended strand (participates in β ladder)trans-97.1136.9-176.9-57.2-66.1000110.7F101 Y102F101-H108 CarbonylContact C-O 3.49Å; F101-H108 WeakPolarHBondContact CA-O 3.35Å; F101-H108 WeakPolarHBondContact CB-O 2.98Å; F101-H108 WeakPolarHBondContact CD1-O 3.25Å; Y102-H108 HydrophobicContact CD1-CB 3.55Å; Y102-H108 HydrophobicContact CD2-CB 3.98Å; Y102-H108 AromaticContact CD2-CD2 3.98Å; Y102-H108 HydrophobicContact CE1-CB 3.29Å; Y102-H108 HydrophobicContact CE2-CB 3.72Å; Y102-H108 AromaticContact CE2-CD2 3.64Å; Y102-H108 AromaticContact CE2-CG 3.8Å; Y102-H108 HydrophobicContact CG-CB 3.9Å; Y102-H108 AromaticContact CZ-CG 3.77Å; Y102-H108 PolarHBondContact N-O 3.31Å; Y102-H108 WeakPolarHBondContact O-CB 3.29Å; Y102-H108 PolarHBondContact O-N 3.22Å
109D88.8Confident83.6Confident43 Ų4374.6 Ų74.623%0.2340%0.397CS..EExtended strand (participates in β ladder)trans-111.3113.7177.3-174.7-7.2000109.2F101 R111 K112 E113F101-D109 HydrophobicContact CD1-CB 3.77Å; F101-D109 HydrophobicContact CE1-CB 3.52Å; F101-D109 HydrophobicContact CZ-CB 4.45Å; D109-R111 PolarHBondContact O-N 3.03Å; D109-R111 VanDerWaalsContact O-N 3.13Å; D109-R111 WeakPolarHBondContact OD1-CA 3.46Å; D109-R111 VanDerWaalsContact OD1-CB 3.23Å; D109-R111 WeakPolarHBondContact OD1-CB 3.46Å; D109-R111 PolarHBondContact OD1-N 2.87Å; D109-K112 HydrophobicContact CB-CB 3.95Å; D109-K112 PolarHBondContact O-N 2.98Å; D109-E113 PolarHBondContact O-N 2.87Å
110V81.1Confident82.5Confident62 Ų6272.3 Ų72.338%0.37637%0.374SS..Hα-helixtrans-57-29176.1-177.90000110.9S100 Y102 E113 N114S100-V110 WeakPolarHBondContact O-CB 3.39Å; S100-V110 WeakPolarHBondContact O-CG2 3.23Å; S100-V110 PolarHBondContact O-N 3.49Å; Y102-V110 HydrophobicContact CD1-CG2 3.64Å; Y102-V110 HydrophobicContact CE1-CG2 4.09Å; V110-E113 PolarHBondContact O-N 2.83Å; V110-N114 WeakPolarHBondContact O-CB 3.45Å; V110-N114 PolarHBondContact O-N 3.43Å; V110-N114 VanDerWaalsContact O-N 3.09Å; V110-N114 PolarHBondContact O-ND2 3.24Å
111R75Confident81.5Confident147 Ų14777.3 Ų77.356%0.55540%0.4SS*.Hα-helixtrans-73.2-32.9176-61.2-171.5174.7954.9113.6S100 D109 E113 N114S100-R111 PolarHBondContact OG-NH1 2.03Å; S100-R111 PolarHBondContact OG-NH2 2.92Å; D109-R111 PolarHBondContact O-N 3.03Å; D109-R111 VanDerWaalsContact O-N 3.13Å; D109-R111 WeakPolarHBondContact OD1-CA 3.46Å; D109-R111 VanDerWaalsContact OD1-CB 3.23Å; D109-R111 WeakPolarHBondContact OD1-CB 3.46Å; D109-R111 PolarHBondContact OD1-N 2.87Å; R111-E113 PolarHBondContact O-N 3.24Å; R111-N114 VanDerWaalsContact CA-CG 3.5Å; R111-N114 WeakPolarHBondContact CA-ND2 3.15Å; R111-N114 WeakPolarHBondContact CA-OD1 3.45Å; R111-N114 PolarHBondContact O-N 3.43Å; R111-N114 PolarHBondContact O-OD1 2.96Å
112K73.7Confident80.8Confident166 Ų16678.7 Ų78.772%0.72241%0.411SS*.Hα-helixtrans-75.6-16.9176.5-156.7177-174.3-1770111.7D109 G136D109-K112 HydrophobicContact CB-CB 3.95Å; D109-K112 PolarHBondContact O-N 2.98Å; K112-G136 WeakPolarHBondContact O-CA 3.33Å
113E69.6Low80.5Confident56 Ų5679.5 Ų79.526%0.26241%0.414SS..Hα-helixtrans-91.6-14.4172.3-66.4172.2-152.100112.3Y102 D109 V110 R111 H120 H135 G136Y102-E113 WeakPolarHBondContact CE1-OE1 3.12Å; Y102-E113 VanDerWaalsContact OH-CD 3.3Å; Y102-E113 PolarHBondContact OH-OE1 2.86Å; Y102-E113 PolarHBondContact OH-OE2 3.39Å; Y102-E113 VanDerWaalsContact OH-OE2 3.1Å; D109-E113 PolarHBondContact O-N 2.87Å; V110-E113 PolarHBondContact O-N 2.83Å; R111-E113 PolarHBondContact O-N 3.24Å; E113-H120 PolarHBondContact O-CE1 2.84Å; E113-H120 PolarHBondContact O-NE2 3.24Å; E113-H135 CarbonylContact O-C 3.5Å; E113-G136 VanDerWaalsContact C-CA 3.5Å; E113-G136 WeakPolarHBondContact O-CA 3.5Å; E113-G136 PolarHBondContact O-N 3.09Å
114N73.1Confident80.3Confident47 Ų4781 Ų8125%0.25141%0.414SS..SBendtrans-101.7149.5177.378.430.1000114V110 R111 G116 H120 G136V110-N114 WeakPolarHBondContact O-CB 3.45Å; V110-N114 PolarHBondContact O-N 3.43Å; V110-N114 VanDerWaalsContact O-N 3.09Å; V110-N114 PolarHBondContact O-ND2 3.24Å; R111-N114 VanDerWaalsContact CA-CG 3.5Å; R111-N114 WeakPolarHBondContact CA-ND2 3.15Å; R111-N114 WeakPolarHBondContact CA-OD1 3.45Å; R111-N114 PolarHBondContact O-N 3.43Å; R111-N114 PolarHBondContact O-OD1 2.96Å; N114-G116 PolarHBondContact O-N 2.8Å; N114-G116 PolarHBondContact OD1-N 3.27Å; N114-H120 WeakPolarHBondContact CA-NE2 3.46Å; N114-H120 WeakPolarHBondContact CB-NE2 3.35Å; N114-G136 WeakPolarHBondContact O-CA 3.18Å
115C80.9Confident80Confident25 Ų2576.3 Ų76.317%0.16941%0.41CS..BIsolated β-bridgetrans-91.136.8178.6-58.50000110.4S117 V118 C133 G136 L138C115-S117 PolarHBondContact O-N 3Å; C115-V118 HydrophobicContact CB-CB 4.11Å; C115-C133 HydrophobicContact CB-CB 3.73Å; C115-C133 WeakPolarHBondContact CB-SG 3.47Å; C115-C133 PolarHBondContact N-SG 3.13Å; C115-C133 WeakPolarHBondContact SG-CA 3.38Å; C115-C133 WeakPolarHBondContact SG-CB 3.41Å; C115-C133 CovalentContact SG-SG 2.03Å; C115-C133 PolarHBondContact SG-SG 2.91Å; C115-G136 VanDerWaalsContact SG-C 3.54Å; C115-L138 HydrophobicContact CB-CD2 4.19Å; C115-L138 HydrophobicContact CB-CG 4.03Å
116G79.4Confident79.5Confident53 Ų5378.3 Ų78.355%0.54642%0.416SS..THydrogen-bonded Turntrans69.6-117.9-173.100000112.3N114 V118N114-G116 PolarHBondContact O-N 2.8Å; N114-G116 PolarHBondContact OD1-N 3.27Å; G116-V118 PolarHBondContact O-N 3.31Å
117S75.3Confident79.1Confident127 Ų12787.2 Ų87.289%0.88846%0.455SS*.THydrogen-bonded Turntrans-76-4.7-176.8-46.80000114.5C115 P119C115-S117 PolarHBondContact O-N 3Å; S117-P119 WeakPolarHBondContact O-CD 3.27Å
118V76.1Confident78.9Confident25 Ų2585.7 Ų85.715%0.15245%0.452CS..BIsolated β-bridgetrans-87.1114.7-179.1-176.50000109.2C115 G116 L124 C133 L138C115-V118 HydrophobicContact CB-CB 4.11Å; G116-V118 PolarHBondContact O-N 3.31Å; V118-L124 HydrophobicContact CG1-CB 4.42Å; V118-L124 HydrophobicContact CG2-CD2 3.99Å; V118-C133 HydrophobicContact CG1-CB 4.43Å; V118-L138 HydrophobicContact CG1-CD2 4.18Å; V118-L138 HydrophobicContact CG2-CD2 4.36Å
119P68.9Low79Confident77 Ų7783.4 Ų83.450%0.544%0.444SS..  trans-65.3145.1-179.523.5-29.2000111.2S117 T122S117-P119 WeakPolarHBondContact O-CD 3.27Å; P119-T122 HydrophobicContact CG-CG2 4.42Å
120H67.4Low79Confident86 Ų8683.5 Ų83.540%0.39844%0.444SS..THydrogen-bonded Turntrans-62.3147.8170-68.3-173.3000109.3E113 N114 T122E113-H120 PolarHBondContact O-CE1 2.84Å; E113-H120 PolarHBondContact O-NE2 3.24Å; N114-H120 WeakPolarHBondContact CA-NE2 3.46Å; N114-H120 WeakPolarHBondContact CB-NE2 3.35Å; H120-T122 PolarHBondContact O-N 3.1Å; H120-T122 VanDerWaalsContact O-N 3.15Å
121D66.7Low79.4Confident126 Ų12680.5 Ų80.567%0.67443%0.426SS*.THydrogen-bonded Turntrans67.38.3179.8-58.1-49.6000117.8K132D121-K132 IonicContact OD1-NZ 2.88Å; D121-K132 PolarHBondContact OD1-NZ 3.21Å
122T77.9Confident80.1Confident71 Ų7175.8 Ų75.844%0.43641%0.41SS..  trans-107.7136.4170.2-52.30000110.7P119 H120P119-T122 HydrophobicContact CG-CG2 4.42Å; H120-T122 PolarHBondContact O-N 3.1Å; H120-T122 VanDerWaalsContact O-N 3.15Å
123W83.3Confident80.7Confident119 Ų11968.2 Ų68.245%0.45138%0.378SS..EExtended strand (participates in β ladder)trans-81.7127.1169.8-69.6100.1000109.9P125 L130 C131 K132 F141W123-P125 WeakPolarHBondContact O-CD 3.36Å; W123-L130 HydrophobicContact CB-CD1 3.89Å; W123-L130 HydrophobicContact CB-CD2 4.15Å; W123-L130 HydrophobicContact CB-CG 4Å; W123-L130 HydrophobicContact CD2-CD2 3.77Å; W123-L130 HydrophobicContact CD2-CG 4Å; W123-L130 HydrophobicContact CE3-CB 4.36Å; W123-L130 HydrophobicContact CE3-CD2 3.69Å; W123-L130 HydrophobicContact CE3-CG 3.54Å; W123-L130 HydrophobicContact CG-CD2 4.02Å; W123-L130 HydrophobicContact CG-CG 4.25Å; W123-L130 HydrophobicContact CZ3-CD2 4.27Å; W123-L130 HydrophobicContact CZ3-CG 4.24Å; W123-C131 CarbonylContact C-O 3.51Å; W123-C131 WeakPolarHBondContact CA-O 3.33Å; W123-K132 HydrophobicContact CD2-CB 4.23Å; W123-K132 HydrophobicContact CE3-CB 3.68Å; W123-K132 HydrophobicContact CH2-CB 4.15Å; W123-K132 HydrophobicContact CZ2-CD 4.29Å; W123-K132 HydrophobicContact CZ3-CB 3.65Å; W123-F141 AromaticContact CH2-CD2 3.86Å; W123-F141 HydrophobicContact CH2-CD2 3.86Å; W123-F141 AromaticContact CH2-CE2 3.71Å; W123-F141 HydrophobicContact CH2-CE2 3.71Å; W123-F141 AromaticContact CZ3-CD2 3.67Å; W123-F141 HydrophobicContact CZ3-CD2 3.67Å; W123-F141 AromaticContact CZ3-CE2 3.83Å; W123-F141 HydrophobicContact CZ3-CE2 3.83Å
124L87.8Confident81.3Confident63 Ų6372.8 Ų72.833%0.3339%0.393SS..EExtended strand (participates in β ladder)trans-95.6108.3174.4-179.467.1000109.2V118 K126 C131V118-L124 HydrophobicContact CG1-CB 4.42Å; V118-L124 HydrophobicContact CG2-CD2 3.99Å; L124-K126 PolarHBondContact O-N 2.93Å; L124-C131 HydrophobicContact CB-CB 4.43Å; L124-C131 PolarHBondContact N-O 3.07Å; L124-C131 PolarHBondContact O-N 2.78Å
125P86.1Confident81.6Confident102 Ų10277.1 Ų77.166%0.66241%0.411SS*.EExtended strand (participates in β ladder)trans-70129.8174.428.3-32.8000110.4W123 L130W123-P125 WeakPolarHBondContact O-CD 3.36Å; P125-L130 HydrophobicContact CB-CD1 4.21Å
126K85.2Confident81.5Confident99 Ų9977.4 Ų77.443%0.4342%0.418SS..EExtended strand (participates in β ladder)trans-119166.9165.9-63.5-168.4179.2-1780108.6L124 C128 S129L124-K126 PolarHBondContact O-N 2.93Å; K126-C128 VanDerWaalsContact C-N 3.32Å; K126-C128 PolarHBondContact O-N 3.48Å; K126-C128 VanDerWaalsContact O-N 3.1Å; K126-S129 CarbonylContact C-O 3.59Å; K126-S129 WeakPolarHBondContact CA-O 3.48Å; K126-S129 WeakPolarHBondContact CB-O 3.41Å; K126-S129 PolarHBondContact N-O 3.27Å; K126-S129 PolarHBondContact O-N 3.06Å
127K84.1Confident81.6Confident187 Ų18779.9 Ų79.981%0.81342%0.415SS*.THydrogen-bonded Turntrans-42-53.7-171.6-169.1-179.1179.3-175.40114C149K127-C149 PolarHBondContact O-SG 3.42Å; K127-C149 VanDerWaalsContact O-SG 3.4Å
128C88.9Confident82.2Confident43 Ų4376.7 Ų76.729%0.29139%0.388SS..THydrogen-bonded Turntrans-126.821.7-178.6-63.50000113K126 P142 Q143 C149K126-C128 VanDerWaalsContact C-N 3.32Å; K126-C128 PolarHBondContact O-N 3.48Å; K126-C128 VanDerWaalsContact O-N 3.1Å; C128-P142 WeakPolarHBondContact O-CA 3.4Å; C128-Q143 PolarHBondContact O-N 3Å; C128-C149 WeakPolarHBondContact CA-SG 3.49Å; C128-C149 HydrophobicContact CB-CB 3.53Å; C128-C149 WeakPolarHBondContact CB-SG 3.02Å; C128-C149 WeakPolarHBondContact SG-CA 3.11Å; C128-C149 WeakPolarHBondContact SG-CB 3.03Å; C128-C149 CovalentContact SG-SG 2.03Å; C128-C149 PolarHBondContact SG-SG 3.33Å
129S89.3Confident82.8Confident28 Ų2881.8 Ų81.820%0.19640%0.404CS..EExtended strand (participates in β ladder)trans-153.7148.5-178.556.70000112K126 F141K126-S129 CarbonylContact C-O 3.59Å; K126-S129 WeakPolarHBondContact CA-O 3.48Å; K126-S129 WeakPolarHBondContact CB-O 3.41Å; K126-S129 PolarHBondContact N-O 3.27Å; K126-S129 PolarHBondContact O-N 3.06Å; S129-F141 CarbonylContact C-O 3.48Å; S129-F141 WeakPolarHBondContact CA-O 3.07Å; S129-F141 WeakPolarHBondContact CB-O 3.43Å
130L89.6Confident83.8Confident44 Ų4480.9 Ų80.923%0.2340%0.399CS..EExtended strand (participates in β ladder)trans-109.9118.1174.8-166.167.6000108.3W123 P125 C140 F141W123-L130 HydrophobicContact CB-CD1 3.89Å; W123-L130 HydrophobicContact CB-CD2 4.15Å; W123-L130 HydrophobicContact CB-CG 4Å; W123-L130 HydrophobicContact CD2-CD2 3.77Å; W123-L130 HydrophobicContact CD2-CG 4Å; W123-L130 HydrophobicContact CE3-CB 4.36Å; W123-L130 HydrophobicContact CE3-CD2 3.69Å; W123-L130 HydrophobicContact CE3-CG 3.54Å; W123-L130 HydrophobicContact CG-CD2 4.02Å; W123-L130 HydrophobicContact CG-CG 4.25Å; W123-L130 HydrophobicContact CZ3-CD2 4.27Å; W123-L130 HydrophobicContact CZ3-CG 4.24Å; P125-L130 HydrophobicContact CB-CD1 4.21Å; L130-C140 WeakPolarHBondContact O-CA 3.26Å; L130-F141 PolarHBondContact N-O 3.46Å; L130-F141 PolarHBondContact O-N 3.35Å
131C89.6Confident84.8Confident0 Ų082.7 Ų82.70%041%0.406CS..EExtended strand (participates in β ladder)trans-106.8142-175-550000111.7W123 L124 L138 R139 C140W123-C131 CarbonylContact C-O 3.51Å; W123-C131 WeakPolarHBondContact CA-O 3.33Å; L124-C131 HydrophobicContact CB-CB 4.43Å; L124-C131 PolarHBondContact N-O 3.07Å; L124-C131 PolarHBondContact O-N 2.78Å; C131-L138 HydrophobicContact CB-CD2 4.21Å; C131-R139 CarbonylContact C-O 3.5Å; C131-R139 VanDerWaalsContact CA-O 3.25Å; C131-R139 WeakPolarHBondContact CA-O 3.47Å; C131-C140 HydrophobicContact CB-CB 4.06Å; C131-C140 WeakPolarHBondContact CB-SG 2.99Å; C131-C140 WeakPolarHBondContact SG-CB 3.36Å; C131-C140 CovalentContact SG-SG 2.04Å; C131-C140 PolarHBondContact SG-SG 3.49Å
132K88.8Confident85.8Confident48 Ų4880.6 Ų80.621%0.20940%0.4CS..EExtended strand (participates in β ladder)trans-123.5142.4168.7-165.3177.1-179.7-1760109.6D121 W123 R139D121-K132 IonicContact OD1-NZ 2.88Å; D121-K132 PolarHBondContact OD1-NZ 3.21Å; W123-K132 HydrophobicContact CD2-CB 4.23Å; W123-K132 HydrophobicContact CE3-CB 3.68Å; W123-K132 HydrophobicContact CH2-CB 4.15Å; W123-K132 HydrophobicContact CZ2-CD 4.29Å; W123-K132 HydrophobicContact CZ3-CB 3.65Å; K132-R139 PolarHBondContact N-O 3.03Å; K132-R139 PolarHBondContact O-N 3.45Å
133C87.4Confident86.1Confident6 Ų680.6 Ų80.64%0.04140%0.395CS..EExtended strand (participates in β ladder)trans-73.8129.4169.7-171.70000110.4C115 V118 L138C115-C133 HydrophobicContact CB-CB 3.73Å; C115-C133 WeakPolarHBondContact CB-SG 3.47Å; C115-C133 PolarHBondContact N-SG 3.13Å; C115-C133 WeakPolarHBondContact SG-CA 3.38Å; C115-C133 WeakPolarHBondContact SG-CB 3.41Å; C115-C133 CovalentContact SG-SG 2.03Å; C115-C133 PolarHBondContact SG-SG 2.91Å; V118-C133 HydrophobicContact CG1-CB 4.43Å; C133-L138 HydrophobicContact CB-CD2 4.5Å
134W81.3Confident85.7Confident153 Ų15376 Ų7658%0.5838%0.382SS*.EExtended strand (participates in β ladder)trans-137.9111.3175.1-172.3-87000109.6G136 Q137 R139W134-G136 VanDerWaalsContact C-N 3.32Å; W134-G136 PolarHBondContact O-N 3.24Å; W134-Q137 PolarHBondContact N-O 3.03Å; W134-Q137 PolarHBondContact O-N 3.48Å; W134-R139 HydrophobicContact CB-CG 4.06Å
135H78.9Confident85Confident138 Ų13882.5 Ų82.564%0.63941%0.408SS*.THydrogen-bonded Turntrans47.250.8178.9-58.8172.1000113.3E113 Q137E113-H135 CarbonylContact O-C 3.5Å; H135-Q137 PolarHBondContact O-N 3.11Å
136G79.3Confident84.6Confident30 Ų3080.7 Ų80.731%0.30939%0.392SS..THydrogen-bonded Turntrans80.20.2177.500000115.3K112 E113 N114 C115 W134K112-G136 WeakPolarHBondContact O-CA 3.33Å; E113-G136 VanDerWaalsContact C-CA 3.5Å; E113-G136 WeakPolarHBondContact O-CA 3.5Å; E113-G136 PolarHBondContact O-N 3.09Å; N114-G136 WeakPolarHBondContact O-CA 3.18Å; C115-G136 VanDerWaalsContact SG-C 3.54Å; W134-G136 VanDerWaalsContact C-N 3.32Å; W134-G136 PolarHBondContact O-N 3.24Å
137Q82.4Confident84.4Confident105 Ų10582 Ų8249%0.49141%0.411SS..EExtended strand (participates in β ladder)trans-119.2131178.9-164.916814.400111.7W134 H135 R139W134-Q137 PolarHBondContact N-O 3.03Å; W134-Q137 PolarHBondContact O-N 3.48Å; H135-Q137 PolarHBondContact O-N 3.11Å; Q137-R139 VanDerWaalsContact CD-NH2 3.27Å; Q137-R139 PolarHBondContact O-N 3.34Å
138L86.6Confident84.2Confident60 Ų6076.3 Ų76.331%0.31441%0.405SS..EExtended strand (participates in β ladder)trans-72.5117.8170-77.7170.7000109.7C115 V118 C131 C133C115-L138 HydrophobicContact CB-CD2 4.19Å; C115-L138 HydrophobicContact CB-CG 4.03Å; V118-L138 HydrophobicContact CG1-CD2 4.18Å; V118-L138 HydrophobicContact CG2-CD2 4.36Å; C131-L138 HydrophobicContact CB-CD2 4.21Å; C133-L138 HydrophobicContact CB-CD2 4.5Å
139R89.1Confident83.8Confident132 Ų13274.9 Ų74.950%0.49840%0.396SS..EExtended strand (participates in β ladder)trans-104.3117.9174-67.1-73.6160152.9-4.9108.3C131 K132 W134 Q137C131-R139 CarbonylContact C-O 3.5Å; C131-R139 VanDerWaalsContact CA-O 3.25Å; C131-R139 WeakPolarHBondContact CA-O 3.47Å; K132-R139 PolarHBondContact N-O 3.03Å; K132-R139 PolarHBondContact O-N 3.45Å; W134-R139 HydrophobicContact CB-CG 4.06Å; Q137-R139 VanDerWaalsContact CD-NH2 3.27Å; Q137-R139 PolarHBondContact O-N 3.34Å
140C90.6Very high83Confident59 Ų5980.1 Ų80.140%0.39942%0.422SS..EExtended strand (participates in β ladder)trans-114134.1-173.3-58.20000111L130 C131L130-C140 WeakPolarHBondContact O-CA 3.26Å; C131-C140 HydrophobicContact CB-CB 4.06Å; C131-C140 WeakPolarHBondContact CB-SG 2.99Å; C131-C140 WeakPolarHBondContact SG-CB 3.36Å; C131-C140 CovalentContact SG-SG 2.04Å; C131-C140 PolarHBondContact SG-SG 3.49Å
141F88.7Confident81.9Confident124 Ų12481.1 Ų81.154%0.54444%0.443SS..EExtended strand (participates in β ladder)trans-104.5125.5173.4-60.2-89000108.5W123 S129 L130 Q143W123-F141 AromaticContact CH2-CD2 3.86Å; W123-F141 HydrophobicContact CH2-CD2 3.86Å; W123-F141 AromaticContact CH2-CE2 3.71Å; W123-F141 HydrophobicContact CH2-CE2 3.71Å; W123-F141 AromaticContact CZ3-CD2 3.67Å; W123-F141 HydrophobicContact CZ3-CD2 3.67Å; W123-F141 AromaticContact CZ3-CE2 3.83Å; W123-F141 HydrophobicContact CZ3-CE2 3.83Å; S129-F141 CarbonylContact C-O 3.48Å; S129-F141 WeakPolarHBondContact CA-O 3.07Å; S129-F141 WeakPolarHBondContact CB-O 3.43Å; L130-F141 PolarHBondContact N-O 3.46Å; L130-F141 PolarHBondContact O-N 3.35Å; F141-Q143 PolarHBondContact O-N 2.95Å
142P87.9Confident80.4Confident82 Ų8287.4 Ų87.453%0.53248%0.475SS..EExtended strand (participates in β ladder)trans-65.8135.3176.927.1-32.1000109.7C128C128-P142 WeakPolarHBondContact O-CA 3.4Å
143Q84.4Confident78.6Confident71 Ų7191.8 Ų91.833%0.33250%0.498SS..  trans-111.171.9179.6-147.216319.800108.2C128 F141 F145 L146 C149C128-Q143 PolarHBondContact O-N 3Å; F141-Q143 PolarHBondContact O-N 2.95Å; Q143-F145 PolarHBondContact O-N 2.92Å; Q143-F145 VanDerWaalsContact O-N 3.13Å; Q143-L146 HydrophobicContact CB-CD1 3.98Å; Q143-L146 HydrophobicContact CB-CG 4.14Å; Q143-L146 HydrophobicContact CG-CD1 4.17Å; Q143-L146 HydrophobicContact CG-CG 4Å; Q143-L146 PolarHBondContact O-N 2.04Å; Q143-L146 VanDerWaalsContact O-N 3.14Å; Q143-C149 WeakPolarHBondContact O-CB 3.43Å
144A74.5Confident76.7Confident23 Ų2398.1 Ų98.119%0.1953%0.529CS..THydrogen-bonded Turntrans-61.4-19.3-178.900000112.8L146 M153A144-L146 VanDerWaalsContact C-N 3.26Å; A144-L146 PolarHBondContact O-N 3.39Å; A144-M153 HydrophobicContact CB-CE 4.06Å
145F71.7Confident75Confident198 Ų19895.5 Ų95.587%0.86853%0.526SS*.THydrogen-bonded Turntrans-77.1-6.4178.4-49.8-73.4000114Q143Q143-F145 PolarHBondContact O-N 2.92Å; Q143-F145 VanDerWaalsContact O-N 3.13Å
146L79.4Confident73.5Confident64 Ų6496.5 Ų96.534%0.33553%0.531SS..SBendtrans-80142.3176.5-70178.2000110.9Q143 A144 G148 C149Q143-L146 HydrophobicContact CB-CD1 3.98Å; Q143-L146 HydrophobicContact CB-CG 4.14Å; Q143-L146 HydrophobicContact CG-CD1 4.17Å; Q143-L146 HydrophobicContact CG-CG 4Å; Q143-L146 PolarHBondContact O-N 2.04Å; Q143-L146 VanDerWaalsContact O-N 3.14Å; A144-L146 VanDerWaalsContact C-N 3.26Å; A144-L146 PolarHBondContact O-N 3.39Å; L146-G148 PolarHBondContact O-N 2.89Å; L146-C149 HydrophobicContact CB-CB 4.18Å; L146-C149 VanDerWaalsContact O-CB 3.32Å; L146-C149 WeakPolarHBondContact O-CB 3.43Å; L146-C149 PolarHBondContact O-N 2.92Å
147P79.4Confident71.7Confident128 Ų128103.1 Ų103.183%0.83155%0.554SS**THydrogen-bonded Turntrans-55.8124178.9-22.231.5000111.6
148G80.5Confident70.1Confident66 Ų66104.8 Ų104.868%0.6857%0.565SS**THydrogen-bonded Turntrans81.715.1-179.500000115L146L146-G148 PolarHBondContact O-N 2.89Å
149C79.4Confident67.8Low14 Ų14108.2 Ų108.210%0.09559%0.589CS.*  trans-111.813.2174.5-63.70000113.5K127 C128 Q143 L146 G151K127-C149 PolarHBondContact O-SG 3.42Å; K127-C149 VanDerWaalsContact O-SG 3.4Å; C128-C149 WeakPolarHBondContact CA-SG 3.49Å; C128-C149 HydrophobicContact CB-CB 3.53Å; C128-C149 WeakPolarHBondContact CB-SG 3.02Å; C128-C149 WeakPolarHBondContact SG-CA 3.11Å; C128-C149 WeakPolarHBondContact SG-CB 3.03Å; C128-C149 CovalentContact SG-SG 2.03Å; C128-C149 PolarHBondContact SG-SG 3.33Å; Q143-C149 WeakPolarHBondContact O-CB 3.43Å; L146-C149 HydrophobicContact CB-CB 4.18Å; L146-C149 VanDerWaalsContact O-CB 3.32Å; L146-C149 WeakPolarHBondContact O-CB 3.43Å; L146-C149 PolarHBondContact O-N 2.92Å; C149-G151 PolarHBondContact O-N 3.23Å; C149-G151 VanDerWaalsContact O-N 3.17Å
150D74.2Confident65.3Low138 Ų138106 Ų10674%0.73860%0.599SS**  trans-67.6109.1175.9-52.2-49.1000109.2
151G65.7Low63Low65 Ų65107.9 Ų107.967%0.6761%0.612SS**  trans12834.7162.200000119.6C149C149-G151 PolarHBondContact O-N 3.23Å; C149-G151 VanDerWaalsContact O-N 3.17Å
152L58.6Low60.8Low131 Ų131113.3 Ų113.369%0.68663%0.629SS**  trans-13354.8158.2-71.1173.9000111.4M154L152-M154 HydrophobicContact CD2-CG 4.43Å; L152-M154 HydrophobicContact CD2-SD 4.03Å; L152-M154 PolarHBondContact O-N 3.2Å
153M50Low58.5Low140 Ų140114.1 Ų114.169%0.6963%0.633SS**  trans-81.584.4146.2-68.1-72152.400105.6A144 D155A144-M153 HydrophobicContact CB-CE 4.06Å; M153-D155 PolarHBondContact O-N 3.39Å
154M48.4Very low56.5Low139 Ų139116.1 Ų116.169%0.68565%0.652SS**  trans-71.787.9154.2-67148.191.400104.4L152 E156L152-M154 HydrophobicContact CD2-CG 4.43Å; L152-M154 HydrophobicContact CD2-SD 4.03Å; L152-M154 PolarHBondContact O-N 3.2Å; M154-E156 PolarHBondContact O-N 2.78Å
155D45.3Very low55.2Low99 Ų99123.2 Ų123.253%0.52968%0.681SS.*  trans-65.180.8160.1-179.821.3000107.6M153 H157 L158M153-D155 PolarHBondContact O-N 3.39Å; D155-H157 VanDerWaalsContact C-N 3.34Å; D155-H157 PolarHBondContact OD1-N 3Å; D155-L158 PolarHBondContact OD1-N 3.29Å; D155-L158 WeakPolarHBondContact OD2-CD1 2.98Å; D155-L158 VanDerWaalsContact OD2-CG 3.22Å; D155-L158 WeakPolarHBondContact OD2-CG 3.42Å
156E47.7Very low54.3Low159 Ų159120.7 Ų120.774%0.74368%0.676SS**  trans-105.434.3162.7-108.9-179.5122.900109.8M154M154-E156 PolarHBondContact O-N 2.78Å
157H41.9Very low53.3Low168 Ų168122.7 Ų122.778%0.77869%0.693SS**  trans-122.511.3166.3-75.5-64.4000114.1D155 V159 A160D155-H157 VanDerWaalsContact C-N 3.34Å; D155-H157 PolarHBondContact OD1-N 3Å; H157-V159 PolarHBondContact O-N 3.44Å; H157-A160 PolarHBondContact O-N 3.04Å
158L47.8Very low52.1Low141 Ų141121.5 Ų121.574%0.73869%0.685SS**  trans-72.371.3148.3-74.1177.4000110.7D155D155-L158 PolarHBondContact OD1-N 3.29Å; D155-L158 WeakPolarHBondContact OD2-CD1 2.98Å; D155-L158 VanDerWaalsContact OD2-CG 3.22Å; D155-L158 WeakPolarHBondContact OD2-CG 3.42Å
159V39.4Very low51.3Low132 Ų132121.5 Ų121.580%0.868%0.675SS**  trans-169.265.1135156.90000104.6H157 S161H157-V159 PolarHBondContact O-N 3.44Å; V159-S161 PolarHBondContact O-N 2.93Å
160A36.3Very low50.2Low86 Ų86124 Ų12471%0.71170%0.697SS**SBendtrans-57.7119.4143.200000105.4H157 R162H157-A160 PolarHBondContact O-N 3.04Å; A160-R162 PolarHBondContact O-N 2.78Å
161S42.3Very low49.3Very low98 Ų98127.4 Ų127.469%0.68570%0.699SS**  trans-43.599.4178.856.70000110.9V159 T163V159-S161 PolarHBondContact O-N 2.93Å; S161-T163 PolarHBondContact O-N 3.43Å; S161-T163 VanDerWaalsContact O-N 3.07Å
162R41.8Very low48.9Very low237 Ų237127.9 Ų127.989%0.89469%0.689SS**  trans-70.196147.6-75.3-174-173.8168.43104.5A160 P164A160-R162 PolarHBondContact O-N 2.78Å; R162-P164 WeakPolarHBondContact O-CD 3.4Å
163T40.2Very low49.1Very low100 Ų100124.3 Ų124.361%0.61368%0.678SS**  trans-45.7126.3149.833.50000106.5S161 E165S161-T163 PolarHBondContact O-N 3.43Å; S161-T163 VanDerWaalsContact O-N 3.07Å; T163-E165 PolarHBondContact O-N 3.34Å
164P41.8Very low49.5Very low113 Ų113125 Ų12573%0.73468%0.678SS**  trans-56.6111.8161.8-15.928.8000105.1R162 L166R162-P164 WeakPolarHBondContact O-CD 3.4Å; P164-L166 PolarHBondContact O-N 3.45Å
165E46.6Very low50.3Low171 Ų171124.9 Ų124.980%0.79968%0.677SS**  trans-54.496.8160.8-76.7-78.3138.400105.2T163T163-E165 PolarHBondContact O-N 3.34Å
166L52.7Low51.4Low146 Ų146125.3 Ų125.376%0.76468%0.679SS**PPolyproline II helixtrans-62.8125.7170.6-121.3123.7000105P164 P168P164-L166 PolarHBondContact O-N 3.45Å; L166-P168 VanDerWaalsContact O-N 3.16Å
167P58.8Low52.4Low105 Ų105120.1 Ų120.168%0.68266%0.663SS**PPolyproline II helixtrans-55.4129.3175.622-30.4000107.4S169P167-S169 PolarHBondContact O-N 3.1Å
168P54.9Low53.6Low103 Ų103114 Ų11467%0.66965%0.646SS**PPolyproline II helixtrans-54.1120.8179.215.3-25.4000107.7L166 A170L166-P168 VanDerWaalsContact O-N 3.16Å; P168-A170 PolarHBondContact O-N 3.35Å
169S62.8Low54.7Low67 Ų67111.6 Ų111.647%0.46963%0.633SS.*PPolyproline II helixtrans-54.2143.517978.90000108.4P167 R171 T172P167-S169 PolarHBondContact O-N 3.1Å; S169-R171 PolarHBondContact O-N 3.42Å; S169-T172 WeakPolarHBondContact O-CB 3.47Å; S169-T172 PolarHBondContact O-N 3.13Å; S169-T172 PolarHBondContact O-OG1 2.75Å; S169-T172 PolarHBondContact OG-OG1 2.72Å; S169-T172 VanDerWaalsContact OG-OG1 3.04Å
170A57Low56Low67 Ų67109.1 Ų109.155%0.55462%0.62SS**Hα-helixtrans-49.3-33.3-178.200000112.3P168 T172 A173 F174P168-A170 PolarHBondContact O-N 3.35Å; A170-T172 PolarHBondContact O-N 2.91Å; A170-A173 PolarHBondContact O-N 3.43Å; A170-F174 HydrophobicContact CB-CD2 4.46Å; A170-F174 HydrophobicContact CB-CE2 4.26Å; A170-F174 WeakPolarHBondContact O-CD2 3.49Å; A170-F174 PolarHBondContact O-N 2.76Å; A170-F174 VanDerWaalsContact O-N 3.1Å
171R54.5Low57.5Low209 Ų209110.6 Ų110.679%0.78962%0.615SS**Hα-helixtrans-59.1-40174.4-74.6-177-179.31670.6113.7S169 F174 M175S169-R171 PolarHBondContact O-N 3.42Å; R171-F174 PolarHBondContact O-N 3.22Å; R171-M175 VanDerWaalsContact O-CG 3.26Å; R171-M175 WeakPolarHBondContact O-CG 3.41Å; R171-M175 PolarHBondContact O-N 3.15Å; R171-M175 VanDerWaalsContact O-N 3.13Å
172T59.1Low58.3Low74 Ų74109.1 Ų109.145%0.45461%0.605SS.*Hα-helixtrans-69.5-36.4-178.8-39.10000111.5S169 A170 L176S169-T172 WeakPolarHBondContact O-CB 3.47Å; S169-T172 PolarHBondContact O-N 3.13Å; S169-T172 PolarHBondContact O-OG1 2.75Å; S169-T172 PolarHBondContact OG-OG1 2.72Å; S169-T172 VanDerWaalsContact OG-OG1 3.04Å; A170-T172 PolarHBondContact O-N 2.91Å; T172-L176 PolarHBondContact O-N 3.01Å
173A61.6Low59.4Low56 Ų56102.9 Ų102.946%0.46359%0.588SS.*Hα-helixtrans-69.1-40.917500000112.4A170 M175 L176 A177A170-A173 PolarHBondContact O-N 3.43Å; A173-M175 PolarHBondContact O-N 2.03Å; A173-L176 PolarHBondContact O-N 3.22Å; A173-A177 PolarHBondContact O-N 3.44Å
174F58.9Low60.3Low156 Ų156105.1 Ų105.168%0.68459%0.592SS**Hα-helixtrans-65.4-36.3177.2-77.5-64000113A170 R171 G178A170-F174 HydrophobicContact CB-CD2 4.46Å; A170-F174 HydrophobicContact CB-CE2 4.26Å; A170-F174 WeakPolarHBondContact O-CD2 3.49Å; A170-F174 PolarHBondContact O-N 2.76Å; A170-F174 VanDerWaalsContact O-N 3.1Å; R171-F174 PolarHBondContact O-N 3.22Å; F174-G178 PolarHBondContact O-N 2.79Å
175M65.8Low61.1Low135 Ų135104.6 Ų104.667%0.66559%0.591SS**Hα-helixtrans-67.1-40.5177.3-68.1-63.8-73.600112.2R171 A173 G178 I179R171-M175 VanDerWaalsContact O-CG 3.26Å; R171-M175 WeakPolarHBondContact O-CG 3.41Å; R171-M175 PolarHBondContact O-N 3.15Å; R171-M175 VanDerWaalsContact O-N 3.13Å; A173-M175 PolarHBondContact O-N 2.03Å; M175-G178 PolarHBondContact O-N 3.29Å; M175-I179 WeakPolarHBondContact O-CD1 3.06Å; M175-I179 VanDerWaalsContact O-CG1 3.27Å; M175-I179 WeakPolarHBondContact O-CG1 3.28Å; M175-I179 PolarHBondContact O-N 3.48Å; M175-I179 VanDerWaalsContact O-N 3.15Å
176L67.4Low61.4Low108 Ų108106.6 Ų106.657%0.56559%0.593SS**Hα-helixtrans-69.2-40.4177.3-70.2171.7000112T172 A173 G178 I179 C180T172-L176 PolarHBondContact O-N 3.01Å; A173-L176 PolarHBondContact O-N 3.22Å; L176-G178 VanDerWaalsContact C-N 3.33Å; L176-G178 PolarHBondContact O-N 3.42Å; L176-I179 PolarHBondContact O-N 3.01Å; L176-C180 PolarHBondContact O-N 3.05Å; L176-C180 PolarHBondContact O-SG 3.18Å; L176-C180 VanDerWaalsContact O-SG 3.39Å
177A67.8Low61.2Low50 Ų50112.1 Ų112.141%0.41361%0.605SS.*Hα-helixtrans-62.3-40174.600000112.2A173 I179 C180 L181A173-A177 PolarHBondContact O-N 3.44Å; A177-I179 PolarHBondContact O-N 3.14Å; A177-C180 PolarHBondContact O-N 3.05Å; A177-L181 WeakPolarHBondContact O-CG 3.27Å; A177-L181 PolarHBondContact O-N 2.93Å
178G67.6Low61.3Low40 Ų40112.5 Ų112.541%0.41260%0.602SS.*Hα-helixtrans-63.6-37.5175.600000113.4F174 M175 L176 S182F174-G178 PolarHBondContact O-N 2.79Å; M175-G178 PolarHBondContact O-N 3.29Å; L176-G178 VanDerWaalsContact C-N 3.33Å; L176-G178 PolarHBondContact O-N 3.42Å; G178-S182 PolarHBondContact O-N 3.08Å; G178-S182 VanDerWaalsContact O-N 3.11Å; G178-S182 PolarHBondContact O-OG 3.31Å
179I72Confident61.6Low91 Ų91113 Ų11347%0.46760%0.598SS.*Hα-helixtrans-70.5-38.2176.1-64.7162.8000111.2M175 L176 A177 S182 I183M175-I179 WeakPolarHBondContact O-CD1 3.06Å; M175-I179 VanDerWaalsContact O-CG1 3.27Å; M175-I179 WeakPolarHBondContact O-CG1 3.28Å; M175-I179 PolarHBondContact O-N 3.48Å; M175-I179 VanDerWaalsContact O-N 3.15Å; L176-I179 PolarHBondContact O-N 3.01Å; A177-I179 PolarHBondContact O-N 3.14Å; I179-S182 WeakPolarHBondContact CA-OG 3.3Å; I179-S182 PolarHBondContact O-N 2.91Å; I179-S182 PolarHBondContact O-OG 3.45Å; I179-I183 HydrophobicContact CG2-CD1 4Å; I179-I183 VanDerWaalsContact O-CG1 3.29Å; I179-I183 WeakPolarHBondContact O-CG1 2.91Å; I179-I183 PolarHBondContact O-N 3.27Å
180C67.1Low61.6Low80 Ų80115.6 Ų115.654%0.54161%0.605SS.*Hα-helixtrans-66-40.9176-69.70000112.4L176 A177 I183 Q184L176-C180 PolarHBondContact O-N 3.05Å; L176-C180 PolarHBondContact O-SG 3.18Å; L176-C180 VanDerWaalsContact O-SG 3.39Å; A177-C180 PolarHBondContact O-N 3.05Å; C180-I183 PolarHBondContact O-N 2.04Å; C180-Q184 PolarHBondContact O-N 2.77Å; C180-Q184 VanDerWaalsContact O-N 3.1Å
181L66.3Low61.8Low116 Ų116118.4 Ų118.461%0.60761%0.608SS**Hα-helixtrans-68.9-33.1178.5-70.9169.8000112.5A177 S185A177-L181 WeakPolarHBondContact O-CG 3.27Å; A177-L181 PolarHBondContact O-N 2.93Å; L181-S185 PolarHBondContact O-N 3.08Å
182S60.2Low62.3Low67 Ų67112.8 Ų112.847%0.46960%0.597SS.*Hα-helixtrans-71.4-32.6175.959.20000112.7G178 I179 S185G178-S182 PolarHBondContact O-N 3.08Å; G178-S182 VanDerWaalsContact O-N 3.11Å; G178-S182 PolarHBondContact O-OG 3.31Å; I179-S182 WeakPolarHBondContact CA-OG 3.3Å; I179-S182 PolarHBondContact O-N 2.91Å; I179-S182 PolarHBondContact O-OG 3.45Å; S182-S185 PolarHBondContact O-N 3.25Å
183I64.3Low62.5Low106 Ų106115.3 Ų115.354%0.54461%0.606SS.*Hα-helixtrans-72.1-37.4174.9-64.8168.3000111.3I179 C180 S185 Y186I179-I183 HydrophobicContact CG2-CD1 4Å; I179-I183 VanDerWaalsContact O-CG1 3.29Å; I179-I183 WeakPolarHBondContact O-CG1 2.91Å; I179-I183 PolarHBondContact O-N 3.27Å; C180-I183 PolarHBondContact O-N 2.04Å; I183-S185 VanDerWaalsContact C-N 3.27Å; I183-S185 PolarHBondContact O-N 3.38Å; I183-Y186 PolarHBondContact O-N 3.04Å
184Q59.2Low62.6Low147 Ų147119.6 Ų119.669%0.68762%0.617SS**Hα-helixtrans-70.6-18.3175.4-99.8175.8-400114.5C180C180-Q184 PolarHBondContact O-N 2.77Å; C180-Q184 VanDerWaalsContact O-N 3.1Å
185S57.8Low62.8Low102 Ų102116.8 Ų116.871%0.71361%0.612SS**THydrogen-bonded Turntrans-86.4-14.1175.2-166.30000112.6L181 S182 I183L181-S185 PolarHBondContact O-N 3.08Å; S182-S185 PolarHBondContact O-N 3.25Å; I183-S185 VanDerWaalsContact C-N 3.27Å; I183-S185 PolarHBondContact O-N 3.38Å
186Y54.4Low62.6Low213 Ų213115.3 Ų115.384%0.83561%0.607SS**  trans-97.21.4-177.4-131.8-90.3000113.8I183I183-Y186 PolarHBondContact O-N 3.04Å
187Y47Very low62.2Low263 Ų263115.9 Ų115.9100%1.03161%0.611SS**  trans-123.40172.6-99.5-84.9000109.3

Retrieved 187 of 187 residues in 70 ms (Link to these results)