A0A061IQR7_CRIGR Loading...

Beta-sarcoglycan

Component of the sarcoglycan complex, a subcomplex of the dystrophin-glycoprotein complex which forms a link between the F-actin cytoskeleton and the extracellular matrix.

AlphaFold DB , UniProt , Accession A0A061IQR7, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene n/a, Length 320 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
1M36.7Very low33.2Very low240 Ų240115.5 Ų115.5100%1.18286%0.856SS**  0970-79.1178.6-179.600106.5
2A31.8Very low33.1Very low90 Ų90122.2 Ų122.274%0.74486%0.861SS**  80.6102.788.400000109.3
3A29.9Very low33.1Very low104 Ų104127.3 Ų127.386%0.8686%0.863SS**  76.1137.793.800000110.5
4A32.7Very low33Very low90 Ų90132 Ų13274%0.74487%0.865SS**  cis-172.7166.615.300000108
5A32.5Very low33.1Very low102 Ų102130.5 Ų130.584%0.84386%0.859SS**  trans61.4150.3146.300000118.8
6A35.8Very low33.4Very low99 Ų99128.9 Ų128.982%0.81885%0.851SS**  cis-157.3153.222.900000111.2
7A31.5Very low34Very low104 Ų104130.8 Ų130.886%0.8685%0.852SS**  trans-85.2149.8175.800000113
8A33.1Very low34.3Very low107 Ų107126.3 Ų126.388%0.88483%0.833SS**  trans-150.6108149.200000109.4
9A32.4Very low34.9Very low100 Ų100126.5 Ų126.583%0.82683%0.834SS**PPolyproline II helixtrans-81.5135.7-179.800000111.1
10A34.4Very low36Very low103 Ų103126.9 Ų126.985%0.85183%0.832SS**PPolyproline II helixtrans-87.3121162.300000108.7
11T34.8Very low37Very low131 Ų131130.3 Ų130.380%0.80483%0.834SS**PPolyproline II helixtrans-66.5130.8173.738.40000111.9
12E31.9Very low38.2Very low196 Ų196123.5 Ų123.592%0.91680%0.798SS**  trans-158.5144.9139.9-114.4174.316200111.6
13Q32.8Very low40.2Very low189 Ų189122.6 Ų122.688%0.88379%0.786SS**  trans-86.1138.7-143.4-69.9159.8-40.600114.7S15Q13-S15 PolarHBondContact O-N 2.69Å
14Q32Very low41.9Very low193 Ų193125.8 Ų125.890%0.90279%0.785SS**  trans-66.2118.4162.6-83.7167.8-44.100111.1S16Q14-S16 PolarHBondContact O-N 3.14Å
15S34.6Very low43.7Very low109 Ų109131.2 Ų131.276%0.76279%0.787SS**  trans-9187.3164.5171.30000109.9Q13Q13-S15 PolarHBondContact O-N 2.69Å
16S36.6Very low45.5Very low106 Ų106131.4 Ų131.474%0.74177%0.77SS**  trans-105.295.6167.472.80000110.3Q14 G18Q14-S16 PolarHBondContact O-N 3.14Å; S16-G18 PolarHBondContact O-N 2.95Å; S16-G18 VanDerWaalsContact O-N 3.11Å
17N43.5Very low47.2Very low161 Ų161132.3 Ų132.386%0.86176%0.756SS**  trans-81.883.8171.2-81.7-41.2000110.2
18G40.8Very low49Very low50 Ų50130 Ų13052%0.51574%0.737SS.*  trans-88.5155.6160.700000111S16 V20S16-G18 PolarHBondContact O-N 2.95Å; S16-G18 VanDerWaalsContact O-N 3.11Å; G18-V20 PolarHBondContact O-N 3.13Å; G18-V20 VanDerWaalsContact O-N 3.15Å
19P44.5Very low50.9Low130 Ų130128.8 Ų128.884%0.84472%0.718SS**  trans-67.5115.5-176.227.2-32.4000110.5K21P19-K21 PolarHBondContact O-N 3.15Å; P19-K21 VanDerWaalsContact O-N 3.08Å
20V56.9Low52.8Low133 Ų133128.5 Ų128.581%0.80670%0.7SS**  trans-63.2111.9174-179.40000108.4G18 K22G18-V20 PolarHBondContact O-N 3.13Å; G18-V20 VanDerWaalsContact O-N 3.15Å; V20-K22 PolarHBondContact O-N 2.94Å
21K57.3Low54.3Low200 Ų200133.3 Ų133.387%0.8770%0.695SS**  trans-67.696.6172.1-72.2-179.4179.1175.80108.2P19 S23P19-K21 PolarHBondContact O-N 3.15Å; P19-K21 VanDerWaalsContact O-N 3.08Å; K21-S23 PolarHBondContact O-N 3.12Å
22K61.9Low55.7Low96 Ų96136.7 Ų136.742%0.41769%0.693SS.*  trans-47.1129.5169.2-78.1-176.5169.2-176.60110.1V20 E26 K27 E30V20-K22 PolarHBondContact O-N 2.94Å; K22-E26 HydrophobicContact CB-CB 4.5Å; K22-K27 HydrophobicContact CB-CG 4.34Å; K22-E30 IonicContact NZ-OE1 3.35Å; K22-E30 PolarHBondContact NZ-OE1 3.25Å; K22-E30 IonicContact NZ-OE2 2.82Å; K22-E30 PolarHBondContact NZ-OE2 3.05Å
23S73.4Confident57.2Low72 Ų72131.9 Ų131.950%0.50367%0.674SS.*  trans-61.1148-178.4171.70000110.9K21 R25 E26 K27K21-S23 PolarHBondContact O-N 3.12Å; S23-R25 PolarHBondContact O-N 3.33Å; S23-R25 VanDerWaalsContact O-N 3.07Å; S23-E26 PolarHBondContact N-OE2 2.96Å; S23-E26 WeakPolarHBondContact O-CA 3.25Å; S23-E26 VanDerWaalsContact O-CB 3.27Å; S23-E26 WeakPolarHBondContact O-CB 3.27Å; S23-E26 PolarHBondContact O-N 2.83Å; S23-K27 PolarHBondContact O-N 3.01Å; S23-K27 VanDerWaalsContact O-N 3.09Å
24M67.1Low58.5Low171 Ų171126.2 Ų126.284%0.84265%0.652SS**Hα-helixtrans-53.9-31.2177.7-84.2-143.5-72.600112.6A28M24-A28 WeakPolarHBondContact O-CB 3.04Å; M24-A28 PolarHBondContact O-N 2.84Å
25R70Confident59.6Low204 Ų204123 Ų12377%0.7764%0.641SS**Hα-helixtrans-66.9-39.2175.7-172.3175.1175.7179.7-1.9112.2S23 A28 V29S23-R25 PolarHBondContact O-N 3.33Å; S23-R25 VanDerWaalsContact O-N 3.07Å; R25-A28 PolarHBondContact O-N 3.44Å; R25-V29 WeakPolarHBondContact O-CG2 3.44Å; R25-V29 PolarHBondContact O-N 3.29Å; R25-V29 VanDerWaalsContact O-N 3.08Å
26E71.1Confident60.7Low106 Ų106125.6 Ų125.650%0.49564%0.639SS.*Hα-helixtrans-68.1-43178.6-135.7174.2-17700111K22 S23 A28 V29 E30K22-E26 HydrophobicContact CB-CB 4.5Å; S23-E26 PolarHBondContact N-OE2 2.96Å; S23-E26 WeakPolarHBondContact O-CA 3.25Å; S23-E26 VanDerWaalsContact O-CB 3.27Å; S23-E26 WeakPolarHBondContact O-CB 3.27Å; S23-E26 PolarHBondContact O-N 2.83Å; E26-A28 VanDerWaalsContact C-N 3.3Å; E26-A28 PolarHBondContact O-N 2.69Å; E26-V29 PolarHBondContact O-N 3.22Å; E26-E30 WeakPolarHBondContact O-CB 3.16Å; E26-E30 PolarHBondContact O-N 3.1Å
27K71.2Confident61.6Low118 Ų118128 Ų12851%0.51364%0.638SS.*Hα-helixtrans-63.3-33.8173.6-71.5-176.8177.7179.20112.9K22 S23 R31K22-K27 HydrophobicContact CB-CG 4.34Å; S23-K27 PolarHBondContact O-N 3.01Å; S23-K27 VanDerWaalsContact O-N 3.09Å; K27-R31 WeakPolarHBondContact O-CG 3.45Å; K27-R31 PolarHBondContact O-N 2.75Å; K27-R31 VanDerWaalsContact O-N 3.13Å
28A69.1Low62.2Low56 Ų56127.7 Ų127.746%0.46363%0.631SS.*Hα-helixtrans-73.2-35.6177.900000112.5M24 R25 E26 R32M24-A28 WeakPolarHBondContact O-CB 3.04Å; M24-A28 PolarHBondContact O-N 2.84Å; R25-A28 PolarHBondContact O-N 3.44Å; E26-A28 VanDerWaalsContact C-N 3.3Å; E26-A28 PolarHBondContact O-N 2.69Å; A28-R32 PolarHBondContact O-N 3.27Å
29V72.9Confident62.8Low81 Ų81132.2 Ų132.249%0.49164%0.644SS.*Hα-helixtrans-70.2-42.6174.8173.70000110.8R25 E26 R31 R32 N33R25-V29 WeakPolarHBondContact O-CG2 3.44Å; R25-V29 PolarHBondContact O-N 3.29Å; R25-V29 VanDerWaalsContact O-N 3.08Å; E26-V29 PolarHBondContact O-N 3.22Å; V29-R31 PolarHBondContact O-N 3Å; V29-R32 PolarHBondContact O-N 2.84Å; V29-R32 VanDerWaalsContact O-N 3.11Å; V29-N33 PolarHBondContact O-N 2.91Å
30E71.1Confident63.2Low94 Ų94130 Ų13044%0.43963%0.631SS.*Hα-helixtrans-62.1-42.1177.3-166162.9-169.300111.5K22 E26 R32 N33 V34K22-E30 IonicContact NZ-OE1 3.35Å; K22-E30 PolarHBondContact NZ-OE1 3.25Å; K22-E30 IonicContact NZ-OE2 2.82Å; K22-E30 PolarHBondContact NZ-OE2 3.05Å; E26-E30 WeakPolarHBondContact O-CB 3.16Å; E26-E30 PolarHBondContact O-N 3.1Å; E30-R32 VanDerWaalsContact C-N 3.32Å; E30-R32 PolarHBondContact O-N 3.21Å; E30-N33 PolarHBondContact O-N 3.46Å; E30-V34 WeakPolarHBondContact O-CG2 3.46Å; E30-V34 PolarHBondContact O-N 3.16Å
31R66.2Low62.6Low203 Ų203129.9 Ų129.977%0.76663%0.626SS**Hα-helixtrans-63.6-33.5173.3-75.8-177.4178-163.4-0.8113.4K27 V29 N35K27-R31 WeakPolarHBondContact O-CG 3.45Å; K27-R31 PolarHBondContact O-N 2.75Å; K27-R31 VanDerWaalsContact O-N 3.13Å; V29-R31 PolarHBondContact O-N 3Å; R31-N35 WeakPolarHBondContact O-CB 3.48Å; R31-N35 PolarHBondContact O-N 3.29Å
32R65.1Low62.4Low202 Ų202131.2 Ų131.276%0.76263%0.632SS**Hα-helixtrans-73-32.7175.1-87.1-175.8176171.1-0.3112.7A28 V29 E30 K36A28-R32 PolarHBondContact O-N 3.27Å; V29-R32 PolarHBondContact O-N 2.84Å; V29-R32 VanDerWaalsContact O-N 3.11Å; E30-R32 VanDerWaalsContact C-N 3.32Å; E30-R32 PolarHBondContact O-N 3.21Å; R32-K36 PolarHBondContact O-N 3.14Å
33N63.4Low61.5Low95 Ų95135.1 Ų135.151%0.50865%0.649SS.*Hα-helixtrans-72.7-45.4175.8-81.2-0.6000111.9V29 E30 N35 K36 E37V29-N33 PolarHBondContact O-N 2.91Å; E30-N33 PolarHBondContact O-N 3.46Å; N33-N35 VanDerWaalsContact C-N 3.27Å; N33-N35 PolarHBondContact O-N 3.27Å; N33-K36 WeakPolarHBondContact O-CB 3.2Å; N33-K36 PolarHBondContact O-N 3.16Å; N33-E37 PolarHBondContact O-N 3.35Å
34V60.6Low60.6Low70 Ų70137 Ų13742%0.42467%0.67SS.*Hα-helixtrans-60.9-38.5176.8174.60000111.2E30 K36 E37 H38E30-V34 WeakPolarHBondContact O-CG2 3.46Å; E30-V34 PolarHBondContact O-N 3.16Å; V34-K36 VanDerWaalsContact C-N 3.26Å; V34-K36 PolarHBondContact O-N 3.16Å; V34-E37 PolarHBondContact O-N 3.23Å; V34-H38 PolarHBondContact O-CD2 3.25Å; V34-H38 VanDerWaalsContact O-CD2 3.22Å; V34-H38 PolarHBondContact O-N 3.28Å
35N54.7Low59.4Low125 Ų125131.9 Ų131.967%0.66866%0.661SS**Hα-helixtrans-74-16.2178.1-14830.1000113.6R31 N33R31-N35 WeakPolarHBondContact O-CB 3.48Å; R31-N35 PolarHBondContact O-N 3.29Å; N33-N35 VanDerWaalsContact C-N 3.27Å; N33-N35 PolarHBondContact O-N 3.27Å
36K56.6Low58.5Low165 Ų165132.8 Ų132.872%0.71767%0.666SS**Hα-helixtrans-82.6-33.6169.6-95.6-177.1172.8-175.50112R32 N33 V34 H38R32-K36 PolarHBondContact O-N 3.14Å; N33-K36 WeakPolarHBondContact O-CB 3.2Å; N33-K36 PolarHBondContact O-N 3.16Å; V34-K36 VanDerWaalsContact C-N 3.26Å; V34-K36 PolarHBondContact O-N 3.16Å; K36-H38 VanDerWaalsContact C-N 3.35Å
37E56.8Low57.8Low155 Ų155134.7 Ų134.772%0.72468%0.678SS**Hα-helixtrans-72.6-26.5177.8-71.5-176.3178.800113N33 V34N33-E37 PolarHBondContact O-N 3.35Å; V34-E37 PolarHBondContact O-N 3.23Å
38H55.5Low57Low155 Ų155133.7 Ų133.772%0.71868%0.683SS**THydrogen-bonded Turntrans-892.3178.6-75.3-67000115.6V34 K36V34-H38 PolarHBondContact O-CD2 3.25Å; V34-H38 VanDerWaalsContact O-CD2 3.22Å; V34-H38 PolarHBondContact O-N 3.28Å; K36-H38 VanDerWaalsContact C-N 3.35Å
39N52.6Low56.3Low145 Ų145137.3 Ų137.378%0.77569%0.693SS**THydrogen-bonded Turntrans-128.637.7-178.5-155.810.1000114.4
40S53.4Low55.4Low84 Ų84138.8 Ų138.859%0.58770%0.698SS**SBendtrans-148.2133.1161.167.70000112.1
41N45.3Very low54.6Low130 Ų130141.4 Ų141.470%0.69571%0.711SS**  trans80.982.9162.9-68.4-69.9000118.5K43N41-K43 HydrophobicContact CB-CB 4.35Å; N41-K43 PolarHBondContact O-N 3.12Å
42F52.9Low54.1Low228 Ų228138.4 Ų138.4100%171%0.71SS**  -51.693.6124.2-92.7-96.9000109.6
43K42.4Very low53.5Low178 Ų178138.3 Ų138.377%0.77471%0.71SS**  trans-148.2120.6160.7-156166.7-175.5178.90108.4N41 G45N41-K43 HydrophobicContact CB-CB 4.35Å; N41-K43 PolarHBondContact O-N 3.12Å; K43-G45 PolarHBondContact O-N 2.86Å
44A53.7Low52.9Low113 Ų113140.3 Ų140.393%0.93472%0.719SS**  trans-48.8122-178.500000111.5
45G43.1Very low52.3Low63 Ų63144.9 Ų144.965%0.64974%0.736SS**  trans-175.5111.1178.800000108.8K43 I47K43-G45 PolarHBondContact O-N 2.86Å; G45-I47 PolarHBondContact O-N 2.91Å
46Y50.6Low52.2Low223 Ų223144.2 Ų144.288%0.87573%0.727SS**  trans3.1103.6166.9-140.8-99.6000115.6P48Y46-P48 WeakPolarHBondContact O-CD 3.36Å
47I56.7Low51.8Low145 Ų145142.4 Ų142.474%0.74473%0.73SS**  trans-77.5115.5166-63151.1000105.4G45 I49G45-I47 PolarHBondContact O-N 2.91Å; I47-I49 PolarHBondContact O-N 3.44Å
48P54Low51.8Low98 Ų98138.1 Ų138.164%0.63673%0.727SS**  trans-62111.6171.125.9-31.2000107.3Y46 D50Y46-P48 WeakPolarHBondContact O-CD 3.36Å; P48-D50 PolarHBondContact O-N 3.5Å; P48-D50 VanDerWaalsContact O-N 3.11Å
49I55.3Low51.8Low131 Ų131136.4 Ų136.467%0.67272%0.723SS**  trans-75.398.1168.4-60.3173.1000104.8I47 E51I47-I49 PolarHBondContact O-N 3.44Å; I49-E51 PolarHBondContact O-N 2.03Å
50D54Low51.8Low112 Ų112138.7 Ų138.760%0.59972%0.72SS**  trans-59.4103166.2-84.5-33.3000108.3P48 D52 R53P48-D50 PolarHBondContact O-N 3.5Å; P48-D50 VanDerWaalsContact O-N 3.11Å; D50-D52 PolarHBondContact O-N 3.48Å; D50-D52 VanDerWaalsContact O-N 3.09Å; D50-R53 PolarHBondContact O-N 3.4Å
51E54.4Low52.1Low150 Ų150136.5 Ų136.570%0.70171%0.711SS**G310 helixtrans-58.6-20.7177.6-62.8-170.4168.900112.1I49 R53 L54I49-E51 PolarHBondContact O-N 2.03Å; E51-R53 PolarHBondContact O-N 3.35Å; E51-R53 VanDerWaalsContact O-N 3.16Å; E51-L54 PolarHBondContact O-N 3.15Å
52D55.5Low52.9Low139 Ų139141.3 Ų141.374%0.74372%0.719SS**G310 helixtrans-61.4-17.8171-81.4-12.5000114.3D50D50-D52 PolarHBondContact O-N 3.48Å; D50-D52 VanDerWaalsContact O-N 3.09Å
53R52.1Low53.3Low201 Ų201137.7 Ų137.776%0.75870%0.703SS**G310 helixtrans-89.9-19.4173.4-74.9-169.485.6174.75.4113.5D50 E51 K56D50-R53 PolarHBondContact O-N 3.4Å; E51-R53 PolarHBondContact O-N 3.35Å; E51-R53 VanDerWaalsContact O-N 3.16Å; R53-K56 WeakPolarHBondContact O-CB 3.45Å
54L51Low54.5Low136 Ų136130.1 Ų130.171%0.71268%0.676SS**THydrogen-bonded Turntrans-85.3-32.2-177.1-129.973.6000112.5E51 K56E51-L54 PolarHBondContact O-N 3.15Å; L54-K56 PolarHBondContact O-N 3.33Å; L54-K56 VanDerWaalsContact O-N 3.11Å
55H48.3Very low55.4Low167 Ų167130 Ų13077%0.77366%0.66SS**THydrogen-bonded Turntrans-77.715.2171.3-72-79000114.3T57H55-T57 VanDerWaalsContact C-N 3.31Å; H55-T57 PolarHBondContact O-N 3.36Å
56K51.3Low57.1Low110 Ų110132.5 Ų132.548%0.47866%0.658SS.*  trans-98.332.4179.5-135.3162177.5163.30111.4R53 L54R53-K56 WeakPolarHBondContact O-CB 3.45Å; L54-K56 PolarHBondContact O-N 3.33Å; L54-K56 VanDerWaalsContact O-N 3.11Å
57T49.7Very low58.5Low128 Ų128123.7 Ų123.779%0.78563%0.631SS**  trans-81.2118164.945.40000109H55H55-T57 VanDerWaalsContact C-N 3.31Å; H55-T57 PolarHBondContact O-N 3.36Å
58G55.2Low59.9Low64 Ų64121.6 Ų121.666%0.6662%0.62SS**SBendtrans101.295164.400000116.3
59L56.6Low61.4Low119 Ų119120.7 Ų120.762%0.62362%0.616SS**  trans61.655.3155.7-78.380.7000118G61 K63L59-G61 PolarHBondContact O-N 3.47Å; L59-K63 HydrophobicContact CD2-CB 4.16Å; L59-K63 HydrophobicContact CG-CB 4.14Å
60R53.2Low62.9Low193 Ų193117.9 Ų117.973%0.72860%0.604SS**  trans-74120.1170.1-165.4165.7173.7150.2-6.8112.7R62R60-R62 PolarHBondContact O-N 3.39Å
61G58.7Low64.7Low38 Ų38117.8 Ų117.839%0.39260%0.603SS.*SBendtrans83.4-89155.700000115.4L59 K63 G64 N65L59-G61 PolarHBondContact O-N 3.47Å; G61-K63 PolarHBondContact O-N 3.08Å; G61-G64 PolarHBondContact O-N 3.07Å; G61-N65 WeakPolarHBondContact O-CB 3.49Å; G61-N65 VanDerWaalsContact O-CG 3.26Å; G61-N65 PolarHBondContact O-N 2.95Å; G61-N65 PolarHBondContact O-OD1 3.15Å
62R61.6Low66.5Low231 Ų231114.2 Ų114.287%0.87259%0.591SS**Hα-helixtrans-69.8-32.8-169.3-162.3172.6-177.8173.10113.3R60 L66R60-R62 PolarHBondContact O-N 3.39Å; R62-L66 PolarHBondContact O-N 3.38Å
63K61.8Low68.3Low152 Ų152112.1 Ų112.166%0.66158%0.579SS**Hα-helixtrans-81.7-32.2174.1-64.7-175.4179.7-176.60112.5L59 G61 L66 A67L59-K63 HydrophobicContact CD2-CB 4.16Å; L59-K63 HydrophobicContact CG-CB 4.14Å; G61-K63 PolarHBondContact O-N 3.08Å; K63-L66 PolarHBondContact O-N 2.98Å; K63-A67 PolarHBondContact O-N 3.21Å
64G68.1Low70.2Confident20 Ų20107.5 Ų107.521%0.20657%0.569CS.*Hα-helixtrans-67.2-42.3173.400000112.2G61 L66 A67 I68G61-G64 PolarHBondContact O-N 3.07Å; G64-L66 VanDerWaalsContact C-N 3.27Å; G64-L66 PolarHBondContact O-N 3.06Å; G64-A67 WeakPolarHBondContact O-CB 3.35Å; G64-A67 PolarHBondContact O-N 2.73Å; G64-A67 VanDerWaalsContact O-N 3.15Å; G64-I68 VanDerWaalsContact O-CG1 3.29Å; G64-I68 WeakPolarHBondContact O-CG1 3.36Å; G64-I68 PolarHBondContact O-N 2.95Å
65N71.4Confident72.3Confident110 Ų110107.6 Ų107.659%0.58856%0.564SS**Hα-helixtrans-64.6-32.4173.7-68.78.3000112.1G61 C69G61-N65 WeakPolarHBondContact O-CB 3.49Å; G61-N65 VanDerWaalsContact O-CG 3.26Å; G61-N65 PolarHBondContact O-N 2.95Å; G61-N65 PolarHBondContact O-OD1 3.15Å; N65-C69 VanDerWaalsContact O-CB 3.23Å; N65-C69 WeakPolarHBondContact O-CB 3.43Å; N65-C69 PolarHBondContact O-N 2.95Å
66L79.1Confident74.6Confident115 Ų115104 Ų10460%0.60255%0.549SS*.Hα-helixtrans-69.3-42172.2-170.7148.6000111.1R62 K63 G64 C69 V70R62-L66 PolarHBondContact O-N 3.38Å; K63-L66 PolarHBondContact O-N 2.98Å; G64-L66 VanDerWaalsContact C-N 3.27Å; G64-L66 PolarHBondContact O-N 3.06Å; L66-C69 WeakPolarHBondContact O-CB 3.46Å; L66-C69 PolarHBondContact O-N 2.79Å; L66-V70 HydrophobicContact CD2-CG2 4.05Å; L66-V70 VanDerWaalsContact O-CG2 3.29Å; L66-V70 WeakPolarHBondContact O-CG2 3.38Å; L66-V70 PolarHBondContact O-N 2.89Å
67A81.6Confident76.6Confident39 Ų39102.6 Ų102.632%0.32255%0.547SS..Hα-helixtrans-62.2-42.8174.100000111.9K63 G64 V70 I71K63-A67 PolarHBondContact O-N 3.21Å; G64-A67 WeakPolarHBondContact O-CB 3.35Å; G64-A67 PolarHBondContact O-N 2.73Å; G64-A67 VanDerWaalsContact O-N 3.15Å; A67-V70 PolarHBondContact O-N 3.41Å; A67-I71 VanDerWaalsContact O-CG1 3.23Å; A67-I71 WeakPolarHBondContact O-CG1 3.42Å; A67-I71 PolarHBondContact O-N 2.88Å
68I84.9Confident78.8Confident100 Ų10099.1 Ų99.151%0.51353%0.531SS..Hα-helixtrans-63.5-42.5174.3-65.3163.1000110.4G64 V70 I71 V72G64-I68 VanDerWaalsContact O-CG1 3.29Å; G64-I68 WeakPolarHBondContact O-CG1 3.36Å; G64-I68 PolarHBondContact O-N 2.95Å; I68-V70 VanDerWaalsContact C-N 3.34Å; I68-V70 PolarHBondContact O-N 2Å; I68-I71 PolarHBondContact O-N 3.17Å; I68-V72 HydrophobicContact CG2-CG2 4.35Å; I68-V72 WeakPolarHBondContact O-CB 2.99Å; I68-V72 VanDerWaalsContact O-CG2 3.28Å; I68-V72 WeakPolarHBondContact O-CG2 2.94Å; I68-V72 PolarHBondContact O-N 3.36Å
69C85.1Confident80.8Confident80 Ų8098.8 Ų98.854%0.54152%0.516SS..Hα-helixtrans-59.9-43.9174.9-173.80000111.7N65 L66 V72 L73N65-C69 VanDerWaalsContact O-CB 3.23Å; N65-C69 WeakPolarHBondContact O-CB 3.43Å; N65-C69 PolarHBondContact O-N 2.95Å; L66-C69 WeakPolarHBondContact O-CB 3.46Å; L66-C69 PolarHBondContact O-N 2.79Å; C69-V72 PolarHBondContact O-N 2.74Å; C69-L73 WeakPolarHBondContact O-CB 3.37Å; C69-L73 PolarHBondContact O-N 2.64Å
70V88.4Confident82.7Confident71 Ų7197 Ų9743%0.4351%0.506SS..Hα-helixtrans-64.1-42.5175.6170.90000111.2L66 A67 I68 L73 L74L66-V70 HydrophobicContact CD2-CG2 4.05Å; L66-V70 VanDerWaalsContact O-CG2 3.29Å; L66-V70 WeakPolarHBondContact O-CG2 3.38Å; L66-V70 PolarHBondContact O-N 2.89Å; A67-V70 PolarHBondContact O-N 3.41Å; I68-V70 VanDerWaalsContact C-N 3.34Å; I68-V70 PolarHBondContact O-N 2Å; V70-L73 PolarHBondContact O-N 3.33Å; V70-L74 HydrophobicContact CG1-CD1 4.13Å; V70-L74 HydrophobicContact CG1-CG 4.41Å; V70-L74 WeakPolarHBondContact O-CB 3.28Å; V70-L74 VanDerWaalsContact O-CG 3.31Å; V70-L74 WeakPolarHBondContact O-CG 3.42Å; V70-L74 PolarHBondContact O-N 2.98Å
71I91.8Very high84.7Confident110 Ų11092.3 Ų92.356%0.56450%0.496SS*.Hα-helixtrans-62.7-44176.4-69.8164000110.9A67 I68 L73 L74 F75A67-I71 VanDerWaalsContact O-CG1 3.23Å; A67-I71 WeakPolarHBondContact O-CG1 3.42Å; A67-I71 PolarHBondContact O-N 2.88Å; I68-I71 PolarHBondContact O-N 3.17Å; I71-L73 VanDerWaalsContact C-N 3.34Å; I71-L74 PolarHBondContact O-N 3.21Å; I71-F75 WeakPolarHBondContact O-CB 3.26Å; I71-F75 PolarHBondContact O-N 3.4Å
72V92.3Very high86.4Confident75 Ų7595.2 Ų95.246%0.45550%0.502SS..Hα-helixtrans-63.7-41.1176.3170.50000110.8I68 C69 F75 I76I68-V72 HydrophobicContact CG2-CG2 4.35Å; I68-V72 WeakPolarHBondContact O-CB 2.99Å; I68-V72 VanDerWaalsContact O-CG2 3.28Å; I68-V72 WeakPolarHBondContact O-CG2 2.94Å; I68-V72 PolarHBondContact O-N 3.36Å; C69-V72 PolarHBondContact O-N 2.74Å; V72-F75 PolarHBondContact O-N 3.47Å; V72-I76 HydrophobicContact CG1-CD1 3.87Å; V72-I76 HydrophobicContact CG1-CG1 4.44Å; V72-I76 VanDerWaalsContact O-CG1 3.25Å; V72-I76 WeakPolarHBondContact O-CG1 3.49Å; V72-I76 PolarHBondContact O-N 3.12Å
73L91.6Very high88Confident96 Ų9689 Ų8950%0.50349%0.486SS..Hα-helixtrans-64.5-44.4176.6-163.8160.9000111.1C69 V70 I71 F75 I76 L77C69-L73 WeakPolarHBondContact O-CB 3.37Å; C69-L73 PolarHBondContact O-N 2.64Å; V70-L73 PolarHBondContact O-N 3.33Å; I71-L73 VanDerWaalsContact C-N 3.34Å; L73-F75 VanDerWaalsContact C-N 3.31Å; L73-F75 PolarHBondContact O-N 2.96Å; L73-I76 PolarHBondContact O-N 3.18Å; L73-L77 HydrophobicContact CD2-CD1 3.56Å; L73-L77 HydrophobicContact CD2-CG 3.98Å; L73-L77 WeakPolarHBondContact O-CG 3.4Å; L73-L77 PolarHBondContact O-N 3.07Å
74L93.3Very high89.5Confident103 Ų10385.9 Ų85.954%0.53948%0.475SS..Hα-helixtrans-62-38.9173.8-72.9175.5000112V70 I71 L77 A78V70-L74 HydrophobicContact CG1-CD1 4.13Å; V70-L74 HydrophobicContact CG1-CG 4.41Å; V70-L74 WeakPolarHBondContact O-CB 3.28Å; V70-L74 VanDerWaalsContact O-CG 3.31Å; V70-L74 WeakPolarHBondContact O-CG 3.42Å; V70-L74 PolarHBondContact O-N 2.98Å; I71-L74 PolarHBondContact O-N 3.21Å; L74-L77 PolarHBondContact O-N 3.32Å; L74-A78 WeakPolarHBondContact O-CB 3.3Å; L74-A78 PolarHBondContact O-N 3.37Å
75F95.1Very high90.6Very high139 Ų13988.6 Ų88.661%0.6149%0.488SS*.Hα-helixtrans-65.5-43.3175.2-174.9-100.9000111.4I71 V72 L73 L77 A78 V79I71-F75 WeakPolarHBondContact O-CB 3.26Å; I71-F75 PolarHBondContact O-N 3.4Å; V72-F75 PolarHBondContact O-N 3.47Å; L73-F75 VanDerWaalsContact C-N 3.31Å; L73-F75 PolarHBondContact O-N 2.96Å; F75-L77 VanDerWaalsContact C-N 3.35Å; F75-L77 PolarHBondContact O-N 2.71Å; F75-A78 PolarHBondContact O-N 3.17Å; F75-V79 HydrophobicContact CD1-CG2 4.09Å; F75-V79 HydrophobicContact CE1-CG2 3.74Å; F75-V79 HydrophobicContact CE2-CG2 4.45Å; F75-V79 HydrophobicContact CZ-CG2 3.94Å; F75-V79 VanDerWaalsContact O-CG2 3.29Å; F75-V79 WeakPolarHBondContact O-CG2 3.33Å; F75-V79 PolarHBondContact O-N 3.3Å
76I95.2Very high91.5Very high90 Ų9087.7 Ų87.746%0.46248%0.483SS..Hα-helixtrans-60.6-45.2174-69.4165.2000110.4V72 L73 A78 V79 I80V72-I76 HydrophobicContact CG1-CD1 3.87Å; V72-I76 HydrophobicContact CG1-CG1 4.44Å; V72-I76 VanDerWaalsContact O-CG1 3.25Å; V72-I76 WeakPolarHBondContact O-CG1 3.49Å; V72-I76 PolarHBondContact O-N 3.12Å; L73-I76 PolarHBondContact O-N 3.18Å; I76-A78 VanDerWaalsContact C-N 3.33Å; I76-A78 PolarHBondContact O-N 2.76Å; I76-V79 PolarHBondContact O-N 3.14Å; I76-I80 HydrophobicContact CG2-CD1 3.76Å; I76-I80 HydrophobicContact CG2-CG1 4.38Å; I76-I80 VanDerWaalsContact O-CG1 3.29Å; I76-I80 WeakPolarHBondContact O-CG1 3.26Å; I76-I80 PolarHBondContact O-N 2.91Å
77L94.9Very high92Very high81 Ų8186.4 Ų86.442%0.42448%0.479SS..Hα-helixtrans-60.7-42.6175.3-74.2174.3000111.8L73 L74 F75 I80 N81L73-L77 HydrophobicContact CD2-CD1 3.56Å; L73-L77 HydrophobicContact CD2-CG 3.98Å; L73-L77 WeakPolarHBondContact O-CG 3.4Å; L73-L77 PolarHBondContact O-N 3.07Å; L74-L77 PolarHBondContact O-N 3.32Å; F75-L77 VanDerWaalsContact C-N 3.35Å; F75-L77 PolarHBondContact O-N 2.71Å; L77-I80 PolarHBondContact O-N 2.82Å; L77-N81 WeakPolarHBondContact O-CB 3.4Å; L77-N81 VanDerWaalsContact O-CG 3.22Å; L77-N81 PolarHBondContact O-N 2.82Å; L77-N81 PolarHBondContact O-ND2 2.62Å
78A95.4Very high92.3Very high56 Ų5688.8 Ų88.846%0.46349%0.486SS..Hα-helixtrans-62.9-42176.200000111.7L74 F75 I76 N81 L82L74-A78 WeakPolarHBondContact O-CB 3.3Å; L74-A78 PolarHBondContact O-N 3.37Å; F75-A78 PolarHBondContact O-N 3.17Å; I76-A78 VanDerWaalsContact C-N 3.33Å; I76-A78 PolarHBondContact O-N 2.76Å; A78-N81 PolarHBondContact O-N 2.71Å; A78-L82 VanDerWaalsContact O-CB 3.31Å; A78-L82 WeakPolarHBondContact O-CB 3.47Å; A78-L82 PolarHBondContact O-N 3.19Å
79V96.3Very high92.4Very high57 Ų5791 Ų9135%0.34549%0.488SS..Hα-helixtrans-65.8-42.4176.1171.70000111.1F75 I76 L82 L83F75-V79 HydrophobicContact CD1-CG2 4.09Å; F75-V79 HydrophobicContact CE1-CG2 3.74Å; F75-V79 HydrophobicContact CE2-CG2 4.45Å; F75-V79 HydrophobicContact CZ-CG2 3.94Å; F75-V79 VanDerWaalsContact O-CG2 3.29Å; F75-V79 WeakPolarHBondContact O-CG2 3.33Å; F75-V79 PolarHBondContact O-N 3.3Å; I76-V79 PolarHBondContact O-N 3.14Å; V79-L82 WeakPolarHBondContact O-CB 3.5Å; V79-L82 PolarHBondContact O-N 2.86Å; V79-L83 HydrophobicContact CG1-CD1 4.26Å; V79-L83 HydrophobicContact CG1-CG 4.47Å; V79-L83 WeakPolarHBondContact O-CG 2.97Å; V79-L83 PolarHBondContact O-N 3.35Å
80I96.4Very high92.2Very high80 Ų8090.2 Ų90.241%0.4149%0.486SS..Hα-helixtrans-61.8-46.4175.5-69.9167.8000110.2I76 L77 L82 L83 I84I76-I80 HydrophobicContact CG2-CD1 3.76Å; I76-I80 HydrophobicContact CG2-CG1 4.38Å; I76-I80 VanDerWaalsContact O-CG1 3.29Å; I76-I80 WeakPolarHBondContact O-CG1 3.26Å; I76-I80 PolarHBondContact O-N 2.91Å; L77-I80 PolarHBondContact O-N 2.82Å; I80-L82 VanDerWaalsContact C-N 3.31Å; I80-L82 PolarHBondContact O-N 3.43Å; I80-L83 PolarHBondContact O-N 3.26Å; I80-I84 HydrophobicContact CG2-CD1 3.75Å; I80-I84 HydrophobicContact CG2-CG1 4.39Å; I80-I84 VanDerWaalsContact O-CG1 3.28Å; I80-I84 WeakPolarHBondContact O-CG1 2.86Å; I80-I84 PolarHBondContact O-N 3.08Å
81N95.2Very high91.9Very high95 Ų9592.1 Ų92.151%0.50850%0.498SS..Hα-helixtrans-63.4-37.3176.7-71.3-26.9000112L77 A78 I84 T85L77-N81 WeakPolarHBondContact O-CB 3.4Å; L77-N81 VanDerWaalsContact O-CG 3.22Å; L77-N81 PolarHBondContact O-N 2.82Å; L77-N81 PolarHBondContact O-ND2 2.62Å; A78-N81 PolarHBondContact O-N 2.71Å; N81-I84 PolarHBondContact O-N 2.89Å; N81-T85 WeakPolarHBondContact O-CB 2.97Å; N81-T85 VanDerWaalsContact O-CG2 3.32Å; N81-T85 WeakPolarHBondContact O-CG2 3.38Å; N81-T85 PolarHBondContact O-N 3.16Å; N81-T85 PolarHBondContact O-OG1 2.94Å
82L94.5Very high91.3Very high100 Ų10090.8 Ų90.852%0.52449%0.491SS..Hα-helixtrans-64-43.7173.3-177.366000111.4A78 V79 I80 T85 L86A78-L82 VanDerWaalsContact O-CB 3.31Å; A78-L82 WeakPolarHBondContact O-CB 3.47Å; A78-L82 PolarHBondContact O-N 3.19Å; V79-L82 WeakPolarHBondContact O-CB 3.5Å; V79-L82 PolarHBondContact O-N 2.86Å; I80-L82 VanDerWaalsContact C-N 3.31Å; I80-L82 PolarHBondContact O-N 3.43Å; L82-T85 VanDerWaalsContact CA-OG1 3.32Å; L82-T85 WeakPolarHBondContact CA-OG1 3.21Å; L82-T85 PolarHBondContact O-N 3.22Å; L82-T85 PolarHBondContact O-OG1 3.44Å; L82-L86 HydrophobicContact CG-CD1 4.41Å; L82-L86 WeakPolarHBondContact O-CB 3.4Å; L82-L86 WeakPolarHBondContact O-CG 3.16Å; L82-L86 PolarHBondContact O-N 3.19Å
83L95Very high90.5Very high101 Ų10194.5 Ų94.553%0.52950%0.497SS..Hα-helixtrans-64.4-43.9176.4-72.5175.5000111.4V79 I80 T85 L86 V87V79-L83 HydrophobicContact CG1-CD1 4.26Å; V79-L83 HydrophobicContact CG1-CG 4.47Å; V79-L83 WeakPolarHBondContact O-CG 2.97Å; V79-L83 PolarHBondContact O-N 3.35Å; I80-L83 PolarHBondContact O-N 3.26Å; L83-T85 VanDerWaalsContact C-N 3.34Å; L83-T85 PolarHBondContact O-N 3.44Å; L83-L86 PolarHBondContact O-N 2.89Å; L83-V87 VanDerWaalsContact O-CG2 3.27Å; L83-V87 WeakPolarHBondContact O-CG2 3.3Å; L83-V87 PolarHBondContact O-N 3.47Å
84I94.4Very high89.8Confident85 Ų8593.3 Ų93.344%0.43649%0.49SS..Hα-helixtrans-60-46176.6-68.7166.8000110.3I80 N81 L86 V87 I88I80-I84 HydrophobicContact CG2-CD1 3.75Å; I80-I84 HydrophobicContact CG2-CG1 4.39Å; I80-I84 VanDerWaalsContact O-CG1 3.28Å; I80-I84 WeakPolarHBondContact O-CG1 2.86Å; I80-I84 PolarHBondContact O-N 3.08Å; N81-I84 PolarHBondContact O-N 2.89Å; I84-L86 PolarHBondContact O-N 3.5Å; I84-V87 PolarHBondContact O-N 3.26Å; I84-I88 HydrophobicContact CG2-CD1 3.78Å; I84-I88 HydrophobicContact CG2-CG1 4.39Å; I84-I88 VanDerWaalsContact O-CG1 3.28Å; I84-I88 WeakPolarHBondContact O-CG1 3.46Å; I84-I88 PolarHBondContact O-N 2.73Å
85T91.1Very high88.5Confident77 Ų7789.7 Ų89.747%0.47248%0.478SS..Hα-helixtrans-64.8-39.2178.748.60000112.5N81 L82 L83 I88 W89N81-T85 WeakPolarHBondContact O-CB 2.97Å; N81-T85 VanDerWaalsContact O-CG2 3.32Å; N81-T85 WeakPolarHBondContact O-CG2 3.38Å; N81-T85 PolarHBondContact O-N 3.16Å; N81-T85 PolarHBondContact O-OG1 2.94Å; L82-T85 VanDerWaalsContact CA-OG1 3.32Å; L82-T85 WeakPolarHBondContact CA-OG1 3.21Å; L82-T85 PolarHBondContact O-N 3.22Å; L82-T85 PolarHBondContact O-OG1 3.44Å; L83-T85 VanDerWaalsContact C-N 3.34Å; L83-T85 PolarHBondContact O-N 3.44Å; T85-I88 PolarHBondContact O-N 3.18Å; T85-W89 WeakPolarHBondContact O-CB 3.36Å; T85-W89 PolarHBondContact O-N 2.87Å
86L89.6Confident87.1Confident92 Ų9289.3 Ų89.348%0.48249%0.49SS..Hα-helixtrans-63.8-40.8173-73.4177.3000112.4L82 L83 I84 W89 A90L82-L86 HydrophobicContact CG-CD1 4.41Å; L82-L86 WeakPolarHBondContact O-CB 3.4Å; L82-L86 WeakPolarHBondContact O-CG 3.16Å; L82-L86 PolarHBondContact O-N 3.19Å; L83-L86 PolarHBondContact O-N 2.89Å; I84-L86 PolarHBondContact O-N 3.5Å; L86-W89 PolarHBondContact O-N 2.84Å; L86-A90 WeakPolarHBondContact O-CB 3.47Å; L86-A90 PolarHBondContact O-N 2.97Å
87V90.8Very high85.4Confident88 Ų8893 Ų9353%0.53351%0.51SS..Hα-helixtrans-63.2-46.3175.4170.20000110.4L83 I84 W89 A90 V91L83-V87 VanDerWaalsContact O-CG2 3.27Å; L83-V87 WeakPolarHBondContact O-CG2 3.3Å; L83-V87 PolarHBondContact O-N 3.47Å; I84-V87 PolarHBondContact O-N 3.26Å; V87-W89 VanDerWaalsContact C-N 3.33Å; V87-W89 PolarHBondContact O-N 2.81Å; V87-A90 PolarHBondContact O-N 2.92Å; V87-V91 HydrophobicContact CG1-CG2 4.17Å; V87-V91 WeakPolarHBondContact O-CB 3.32Å; V87-V91 VanDerWaalsContact O-CG2 3.23Å; V87-V91 WeakPolarHBondContact O-CG2 3.4Å; V87-V91 PolarHBondContact O-N 2.82Å
88I87.9Confident84.1Confident89 Ų8990.9 Ų90.946%0.45651%0.507SS..Hα-helixtrans-59.4-46.8176.4-69.4168.3000110.4I84 T85 A90 V91 I92I84-I88 HydrophobicContact CG2-CD1 3.78Å; I84-I88 HydrophobicContact CG2-CG1 4.39Å; I84-I88 VanDerWaalsContact O-CG1 3.28Å; I84-I88 WeakPolarHBondContact O-CG1 3.46Å; I84-I88 PolarHBondContact O-N 2.73Å; T85-I88 PolarHBondContact O-N 3.18Å; I88-A90 VanDerWaalsContact C-N 3.33Å; I88-A90 PolarHBondContact O-N 2.78Å; I88-V91 PolarHBondContact O-N 2.86Å; I88-I92 HydrophobicContact CG2-CD1 3.49Å; I88-I92 VanDerWaalsContact CG2-CD1 3.49Å; I88-I92 HydrophobicContact CG2-CG1 4.22Å; I88-I92 WeakPolarHBondContact O-CG1 3.46Å; I88-I92 PolarHBondContact O-N 2.89Å
89W85.1Confident83.2Confident147 Ų14790.1 Ų90.156%0.55750%0.498SS*.Hα-helixtrans-59.4-43.9178.4-178.271.5000112.2T85 L86 V87 R93 I94T85-W89 WeakPolarHBondContact O-CB 3.36Å; T85-W89 PolarHBondContact O-N 2.87Å; L86-W89 PolarHBondContact O-N 2.84Å; V87-W89 VanDerWaalsContact C-N 3.33Å; V87-W89 PolarHBondContact O-N 2.81Å; W89-R93 PolarHBondContact O-N 2.85Å; W89-I94 VanDerWaalsContact CE2-O 3.31Å; W89-I94 PolarHBondContact NE1-O 2.95Å
90A81.8Confident82.1Confident62 Ų6291.7 Ų91.751%0.51251%0.505SS..Hα-helixtrans-66.6-40.8176.700000112.8L86 V87 I88 R93L86-A90 WeakPolarHBondContact O-CB 3.47Å; L86-A90 PolarHBondContact O-N 2.97Å; V87-A90 PolarHBondContact O-N 2.92Å; I88-A90 VanDerWaalsContact C-N 3.33Å; I88-A90 PolarHBondContact O-N 2.78Å; A90-R93 PolarHBondContact O-N 2.79Å
91V82.7Confident81.1Confident112 Ų11289.5 Ų89.568%0.67950%0.497SS*.Hα-helixtrans-71.8-42.1-178170.10000111.9V87 I88 R93V87-V91 HydrophobicContact CG1-CG2 4.17Å; V87-V91 WeakPolarHBondContact O-CB 3.32Å; V87-V91 VanDerWaalsContact O-CG2 3.23Å; V87-V91 WeakPolarHBondContact O-CG2 3.4Å; V87-V91 PolarHBondContact O-N 2.82Å; I88-V91 PolarHBondContact O-N 2.86Å; V91-R93 PolarHBondContact O-N 2.85Å
92I79.1Confident80.5Confident81 Ų8187.8 Ų87.842%0.41549%0.486SS..Hα-helixtrans-73.1-10.8177.9-56.9174.2000111.1I88 I94I88-I92 HydrophobicContact CG2-CD1 3.49Å; I88-I92 VanDerWaalsContact CG2-CD1 3.49Å; I88-I92 HydrophobicContact CG2-CG1 4.22Å; I88-I92 WeakPolarHBondContact O-CG1 3.46Å; I88-I92 PolarHBondContact O-N 2.89Å; I92-I94 HydrophobicContact CB-CD1 4.06Å; I92-I94 HydrophobicContact CB-CG1 3.83Å; I92-I94 HydrophobicContact CD1-CD1 4.47Å; I92-I94 HydrophobicContact CG2-CD1 3.7Å; I92-I94 HydrophobicContact CG2-CG1 3.43Å; I92-I94 VanDerWaalsContact CG2-CG1 3.43Å; I92-I94 PolarHBondContact O-N 2.79Å
93R75.4Confident80Confident154 Ų15486.3 Ų86.358%0.58148%0.477SS*.THydrogen-bonded Turntrans50.246.6-176.8-59.6-172.2-178.6-177.32.4111.5W89 A90 V91 G95 D100W89-R93 PolarHBondContact O-N 2.85Å; A90-R93 PolarHBondContact O-N 2.79Å; V91-R93 PolarHBondContact O-N 2.85Å; R93-G95 PolarHBondContact O-N 3.34Å; R93-G95 VanDerWaalsContact O-N 3.08Å; R93-D100 HydrophobicContact CB-CB 4.34Å
94I75.6Confident79.3Confident70 Ų7088.6 Ų88.636%0.35948%0.483SS..EExtended strand (participates in β ladder)trans-78.593.6174-56.4176.2000106.9W89 I92 G98W89-I94 VanDerWaalsContact CE2-O 3.31Å; W89-I94 PolarHBondContact NE1-O 2.95Å; I92-I94 HydrophobicContact CB-CD1 4.06Å; I92-I94 HydrophobicContact CB-CG1 3.83Å; I92-I94 HydrophobicContact CD1-CD1 4.47Å; I92-I94 HydrophobicContact CG2-CD1 3.7Å; I92-I94 HydrophobicContact CG2-CG1 3.43Å; I92-I94 VanDerWaalsContact CG2-CG1 3.43Å; I92-I94 PolarHBondContact O-N 2.79Å; I94-G98 CarbonylContact C-O 3.52Å
95G68Low78.7Confident27 Ų2789.6 Ų89.628%0.27849%0.485SS..EExtended strand (participates in β ladder)trans-75.1168.5173.900000112.2R93 N97 G98R93-G95 PolarHBondContact O-N 3.34Å; R93-G95 VanDerWaalsContact O-N 3.08Å; G95-N97 PolarHBondContact O-N 3.19Å; G95-G98 PolarHBondContact N-O 3.22Å; G95-G98 PolarHBondContact O-N 2.98Å
96P63.7Low78Confident132 Ų13295.6 Ų95.686%0.85751%0.508SS*.THydrogen-bonded Turntrans-59.1-17171.922.3-31.1000113.4
97N59.8Low77.5Confident168 Ų16895.5 Ų95.590%0.89852%0.515SS*.THydrogen-bonded Turntrans-98.95.5176.7-59-23.5000113.6G95G95-N97 PolarHBondContact O-N 3.19Å
98G68.8Low76.8Confident35 Ų3594.8 Ų94.836%0.36153%0.525SS..EExtended strand (participates in β ladder)trans116.7-164.3178.800000114.6I94 G95I94-G98 CarbonylContact C-O 3.52Å; G95-G98 PolarHBondContact N-O 3.22Å; G95-G98 PolarHBondContact O-N 2.98Å
99C75.6Confident76.6Confident40 Ų4095.3 Ų95.327%0.2753%0.529SS..EExtended strand (participates in β ladder)trans-84.5128.8177.1-176.10000110.4S101C99-S101 VanDerWaalsContact C-N 3.28Å; C99-S101 PolarHBondContact O-N 3.15Å
100D73.9Confident76.6Confident90 Ų9091.7 Ų91.748%0.48152%0.52SS..SBendtrans-65.9-30.3179.3-87.8-10.4000113R93 K113R93-D100 HydrophobicContact CB-CB 4.34Å; D100-K113 VanDerWaalsContact O-CD 3.29Å; D100-K113 WeakPolarHBondContact O-CD 3.25Å
101S75.4Confident76.7Confident35 Ų3593.2 Ų93.225%0.24551%0.512CS..SBendtrans-88.4-21.2-174.1-54.10000113.4C99 K113 Q114C99-S101 VanDerWaalsContact C-N 3.28Å; C99-S101 PolarHBondContact O-N 3.15Å; S101-K113 PolarHBondContact O-N 2.96Å; S101-Q114 PolarHBondContact OG-OE1 2.76Å
102M82.4Confident76.9Confident58 Ų5892.1 Ų92.129%0.28650%0.499SS..EExtended strand (participates in β ladder)trans-144.9135.1-172-168.9168.469.900112.2F104 L110 R111 F112M102-F104 HydrophobicContact CE-CE2 3.6Å; M102-F104 HydrophobicContact CE-CZ 3.53Å; M102-F104 HydrophobicContact SD-CZ 4.37Å; M102-L110 HydrophobicContact CE-CD1 4.36Å; M102-L110 HydrophobicContact CG-CD1 3.4Å; M102-L110 HydrophobicContact CG-CG 4.21Å; M102-L110 HydrophobicContact SD-CD1 3.5Å; M102-L110 VanDerWaalsContact SD-CD1 3.5Å; M102-L110 HydrophobicContact SD-CD2 3.98Å; M102-L110 HydrophobicContact SD-CG 4.07Å; M102-R111 CarbonylContact C-O 3.51Å; M102-R111 WeakPolarHBondContact CA-O 3.47Å; M102-F112 HydrophobicContact CG-CD1 4.37Å; M102-F112 HydrophobicContact CG-CE1 4.21Å; M102-F112 HydrophobicContact SD-CD1 4.35Å; M102-F112 HydrophobicContact SD-CE1 3.65Å; M102-F112 HydrophobicContact SD-CZ 4.16Å
103E83.1Confident77.1Confident69 Ų6993.4 Ų93.432%0.32250%0.501SS..EExtended strand (participates in β ladder)trans-127.2129.7-179.8-179.3177.6-177.500110R111 K113E103-R111 HydrophobicContact CB-CB 4.34Å; E103-R111 PolarHBondContact N-O 2.83Å; E103-R111 PolarHBondContact O-N 2.83Å; E103-K113 WeakPolarHBondContact OE2-CE 3.3Å; E103-K113 IonicContact OE2-NZ 3.36Å; E103-K113 PolarHBondContact OE2-NZ 3.06Å
104F82.1Confident77.4Confident149 Ų14990.5 Ų90.565%0.65449%0.494SS*.EExtended strand (participates in β ladder)trans-95.3117171.4-65.7-86.5000108.4M102 L110M102-F104 HydrophobicContact CE-CE2 3.6Å; M102-F104 HydrophobicContact CE-CZ 3.53Å; M102-F104 HydrophobicContact SD-CZ 4.37Å; F104-L110 HydrophobicContact CD1-CD1 3.55Å; F104-L110 HydrophobicContact CD2-CD1 4.48Å; F104-L110 HydrophobicContact CE1-CD1 3.32Å; F104-L110 HydrophobicContact CE1-CG 4.47Å; F104-L110 HydrophobicContact CE2-CD1 4.31Å; F104-L110 HydrophobicContact CG-CD1 4.13Å; F104-L110 HydrophobicContact CZ-CD1 3.74Å
105H80.4Confident77.8Confident106 Ų10694.3 Ų94.349%0.49152%0.521SS..  trans-81.2148.5173.5-158.9-99.8000109.9S107 G108 L109H105-S107 WeakPolarHBondContact ND1-CB 3.44Å; H105-S107 PolarHBondContact ND1-N 3.17Å; H105-S107 PolarHBondContact ND1-OG 3.38Å; H105-S107 PolarHBondContact O-N 3.03Å; H105-S107 VanDerWaalsContact O-N 3.08Å; H105-G108 PolarHBondContact O-N 3.43Å; H105-L109 HydrophobicContact CB-CB 3.95Å; H105-L109 WeakPolarHBondContact CB-O 3.23Å; H105-L109 PolarHBondContact N-O 3.12Å
106E76.4Confident78.6Confident204 Ų20495.1 Ų95.195%0.95352%0.522SS*.THydrogen-bonded Turntrans-58.7-24.8177.9-63.9-176.1168.900112.9G108E106-G108 PolarHBondContact O-N 2.93Å
107S79Confident79.6Confident89 Ų8996.7 Ų96.762%0.62252%0.523SS*.THydrogen-bonded Turntrans-73.44.217468.80000114.2H105 L109H105-S107 WeakPolarHBondContact ND1-CB 3.44Å; H105-S107 PolarHBondContact ND1-N 3.17Å; H105-S107 PolarHBondContact ND1-OG 3.38Å; H105-S107 PolarHBondContact O-N 3.03Å; H105-S107 VanDerWaalsContact O-N 3.08Å; S107-L109 VanDerWaalsContact C-N 3.31Å; S107-L109 PolarHBondContact O-N 3.42Å
108G77.6Confident80.8Confident73 Ų7391.9 Ų91.975%0.75350%0.496SS*.SBendtrans77.312.2-175.400000114.4H105 E106H105-G108 PolarHBondContact O-N 3.43Å; E106-G108 PolarHBondContact O-N 2.93Å
109L82.4Confident81.7Confident100 Ų10092.3 Ų92.352%0.52450%0.501SS..  trans-82.2127.4176.7-175.473000109.9H105 S107H105-L109 HydrophobicContact CB-CB 3.95Å; H105-L109 WeakPolarHBondContact CB-O 3.23Å; H105-L109 PolarHBondContact N-O 3.12Å; S107-L109 VanDerWaalsContact C-N 3.31Å; S107-L109 PolarHBondContact O-N 3.42Å
110L84.8Confident82.4Confident72 Ų7294.4 Ų94.438%0.37751%0.512SS..EExtended strand (participates in β ladder)trans-91.1120.1170.7-172.457.7000110.1M102 F104 F112M102-L110 HydrophobicContact CE-CD1 4.36Å; M102-L110 HydrophobicContact CG-CD1 3.4Å; M102-L110 HydrophobicContact CG-CG 4.21Å; M102-L110 HydrophobicContact SD-CD1 3.5Å; M102-L110 VanDerWaalsContact SD-CD1 3.5Å; M102-L110 HydrophobicContact SD-CD2 3.98Å; M102-L110 HydrophobicContact SD-CG 4.07Å; F104-L110 HydrophobicContact CD1-CD1 3.55Å; F104-L110 HydrophobicContact CD2-CD1 4.48Å; F104-L110 HydrophobicContact CE1-CD1 3.32Å; F104-L110 HydrophobicContact CE1-CG 4.47Å; F104-L110 HydrophobicContact CE2-CD1 4.31Å; F104-L110 HydrophobicContact CG-CD1 4.13Å; F104-L110 HydrophobicContact CZ-CD1 3.74Å; L110-F112 HydrophobicContact CD2-CE1 4.36Å; L110-F112 HydrophobicContact CD2-CE2 3.83Å; L110-F112 HydrophobicContact CD2-CZ 3.47Å; L110-F112 VanDerWaalsContact CD2-CZ 3.47Å; L110-F112 HydrophobicContact CG-CE2 3.92Å; L110-F112 HydrophobicContact CG-CZ 3.89Å
111R85.2Confident83.1Confident93 Ų9392 Ų9235%0.35150%0.499SS..EExtended strand (participates in β ladder)trans-111.8126179.3-178.7-178.6179-175.4-1.1110.8M102 E103M102-R111 CarbonylContact C-O 3.51Å; M102-R111 WeakPolarHBondContact CA-O 3.47Å; E103-R111 HydrophobicContact CB-CB 4.34Å; E103-R111 PolarHBondContact N-O 2.83Å; E103-R111 PolarHBondContact O-N 2.83Å
112F86.5Confident83.7Confident90 Ų9096.1 Ų96.140%0.39551%0.514SS..EExtended strand (participates in β ladder)trans-93.7124.1169.2-61.1-82.9000109.4M102 L110 S116 M118M102-F112 HydrophobicContact CG-CD1 4.37Å; M102-F112 HydrophobicContact CG-CE1 4.21Å; M102-F112 HydrophobicContact SD-CD1 4.35Å; M102-F112 HydrophobicContact SD-CE1 3.65Å; M102-F112 HydrophobicContact SD-CZ 4.16Å; L110-F112 HydrophobicContact CD2-CE1 4.36Å; L110-F112 HydrophobicContact CD2-CE2 3.83Å; L110-F112 HydrophobicContact CD2-CZ 3.47Å; L110-F112 VanDerWaalsContact CD2-CZ 3.47Å; L110-F112 HydrophobicContact CG-CE2 3.92Å; L110-F112 HydrophobicContact CG-CZ 3.89Å; F112-S116 WeakPolarHBondContact CD1-OG 3.34Å; F112-M118 HydrophobicContact CD1-CE 3.94Å; F112-M118 HydrophobicContact CD2-CE 4.06Å; F112-M118 HydrophobicContact CE1-CE 3.5Å; F112-M118 VanDerWaalsContact CE1-CE 3.5Å; F112-M118 HydrophobicContact CE2-CE 3.63Å; F112-M118 HydrophobicContact CG-CE 4.21Å; F112-M118 HydrophobicContact CZ-CE 3.33Å
113K83.1Confident83.7Confident107 Ų10794.8 Ų94.847%0.46551%0.509SS..  trans-90.3-19.1179.4-72.4175174.7167.80112.6D100 S101 E103D100-K113 VanDerWaalsContact O-CD 3.29Å; D100-K113 WeakPolarHBondContact O-CD 3.25Å; S101-K113 PolarHBondContact O-N 2.96Å; E103-K113 WeakPolarHBondContact OE2-CE 3.3Å; E103-K113 IonicContact OE2-NZ 3.36Å; E103-K113 PolarHBondContact OE2-NZ 3.06Å
114Q82.6Confident83.5Confident94 Ų9498 Ų9844%0.43953%0.528SS..SBendtrans-125.6162.3-177.1-68176.7-10.300110.6S101 S116S101-Q114 PolarHBondContact OG-OE1 2.76Å; Q114-S116 PolarHBondContact O-N 3.37Å; Q114-S116 PolarHBondContact O-OG 2.78Å
115V83.3Confident82.8Confident150 Ų15099.9 Ų99.991%0.90953%0.532SS*.  trans-55.8122.7170.3-177.90000107.8
116S83.8Confident82.3Confident43 Ų43103 Ų10330%0.30154%0.544SS..  trans-127131.1-173.6-590000108.7F112 Q114 M118F112-S116 WeakPolarHBondContact CD1-OG 3.34Å; Q114-S116 PolarHBondContact O-N 3.37Å; Q114-S116 PolarHBondContact O-OG 2.78Å; S116-M118 PolarHBondContact O-N 3.08Å
117D86.3Confident82.4Confident166 Ų16696.2 Ų96.289%0.88852%0.519SS*.  trans-75.3121.4176.8-69.4-35.2000109.5
118M84.3Confident82.5Confident66 Ų6698 Ų9833%0.32553%0.527SS..  trans-114.3130.4178.4-65.6-67.6161.600108.9F112 S116 I121 I146F112-M118 HydrophobicContact CD1-CE 3.94Å; F112-M118 HydrophobicContact CD2-CE 4.06Å; F112-M118 HydrophobicContact CE1-CE 3.5Å; F112-M118 VanDerWaalsContact CE1-CE 3.5Å; F112-M118 HydrophobicContact CE2-CE 3.63Å; F112-M118 HydrophobicContact CG-CE 4.21Å; F112-M118 HydrophobicContact CZ-CE 3.33Å; S116-M118 PolarHBondContact O-N 3.08Å; M118-I121 HydrophobicContact CB-CD1 3.98Å; M118-I121 HydrophobicContact CB-CG1 4.33Å; M118-I121 HydrophobicContact CG-CD1 4.18Å; M118-I146 HydrophobicContact CB-CG2 4.16Å
119G87.5Confident82.9Confident45 Ų4598.5 Ų98.546%0.46452%0.515SS..  trans-90.9-103172.300000110.6V147G119-V147 PolarHBondContact O-N 3.39Å; G119-V147 VanDerWaalsContact O-N 3.12Å
120V89.6Confident83.1Confident83 Ų8396.5 Ų96.550%0.50352%0.518SS..EExtended strand (participates in β ladder)trans-100.5122.4175.5-170.80000109.4H122 V147 Q149V120-H122 WeakPolarHBondContact CG1-NE2 3.25Å; V120-V147 CarbonylContact C-O 3.55Å; V120-V147 WeakPolarHBondContact CA-O 3.49Å; V120-V147 HydrophobicContact CG1-CB 4.33Å; V120-V147 HydrophobicContact CG1-CG1 4.28Å; V120-V147 HydrophobicContact CG2-CB 4.35Å; V120-Q149 HydrophobicContact CG1-CB 4.36Å
121I89.4Confident83.1Confident41 Ų4195 Ų9521%0.2152%0.52CS..EExtended strand (participates in β ladder)trans-100.8129175.3-60.2165.3000106.8M118 P123 I146 V147 F148 Q149M118-I121 HydrophobicContact CB-CD1 3.98Å; M118-I121 HydrophobicContact CB-CG1 4.33Å; M118-I121 HydrophobicContact CG-CD1 4.18Å; I121-P123 HydrophobicContact CG2-CG 4.29Å; I121-P123 VanDerWaalsContact O-CD 3.3Å; I121-P123 WeakPolarHBondContact O-CD 3.5Å; I121-I146 HydrophobicContact CD1-CG2 4.14Å; I121-V147 PolarHBondContact N-O 2.86Å; I121-F148 HydrophobicContact CB-CD1 3.81Å; I121-F148 HydrophobicContact CB-CE1 4.08Å; I121-F148 HydrophobicContact CD1-CD1 3.91Å; I121-F148 HydrophobicContact CD1-CE1 3.29Å; I121-F148 HydrophobicContact CD1-CE2 4.39Å; I121-F148 HydrophobicContact CD1-CZ 3.57Å; I121-F148 HydrophobicContact CG1-CD1 4.47Å; I121-F148 HydrophobicContact CG1-CE1 4.28Å; I121-F148 HydrophobicContact CG2-CD1 3.82Å; I121-F148 HydrophobicContact CG2-CE1 4.03Å; I121-F148 WeakPolarHBondContact O-CA 3.29Å; I121-Q149 PolarHBondContact O-N 3.26Å
122H88.3Confident83Confident120 Ų12097.5 Ų97.556%0.55653%0.53SS*.  trans-111.488.3174.5-67.2-66.6000109.5V120 L124 Q149V120-H122 WeakPolarHBondContact CG1-NE2 3.25Å; H122-L124 PolarHBondContact O-N 3.3Å; H122-Q149 PolarHBondContact ND1-O 2.88Å
123P83.1Confident82.8Confident30 Ų30103.7 Ų103.720%0.19555%0.55CS.*PPolyproline II helixtrans-63.2128.9177-15.129.3000109.6I121 F148 Q150I121-P123 HydrophobicContact CG2-CG 4.29Å; I121-P123 VanDerWaalsContact O-CD 3.3Å; I121-P123 WeakPolarHBondContact O-CD 3.5Å; P123-F148 HydrophobicContact CG-CD1 4.37Å; P123-Q150 PolarHBondContact O-NE2 3.39Å
124L78.6Confident82.8Confident136 Ų136106 Ų10671%0.71257%0.568SS**PPolyproline II helixtrans-70.8166.2170.2-64.1173.7000109.6H122 K126 S127 Q150H122-L124 PolarHBondContact O-N 3.3Å; L124-K126 PolarHBondContact O-N 3.29Å; L124-S127 PolarHBondContact N-OG 3.37Å; L124-S127 VanDerWaalsContact O-CB 3.31Å; L124-S127 WeakPolarHBondContact O-CB 3.31Å; L124-S127 PolarHBondContact O-N 2.86Å; L124-S127 PolarHBondContact O-OG 2.91Å; L124-Q150 PolarHBondContact O-NE2 3.27Å
125Y67.3Low82.9Confident190 Ų190106.8 Ų106.875%0.74557%0.572SS**THydrogen-bonded Turntrans-54.6125179-176.8-106000110.4S127Y125-S127 VanDerWaalsContact C-N 3.31Å; Y125-S127 PolarHBondContact O-N 3.28Å
126K70.1Confident82.9Confident170 Ų170106.9 Ų106.974%0.73957%0.567SS**THydrogen-bonded Turntrans66.814.7-174.1-59.2177.6172.4179.20116.6L124L124-K126 PolarHBondContact O-N 3.29Å
127S77.6Confident83.1Confident62 Ų62108.8 Ų108.843%0.43457%0.573SS.*  trans-69.5139.7169.4-63.10000111.1L124 Y125L124-S127 PolarHBondContact N-OG 3.37Å; L124-S127 VanDerWaalsContact O-CB 3.31Å; L124-S127 WeakPolarHBondContact O-CB 3.31Å; L124-S127 PolarHBondContact O-N 2.86Å; L124-S127 PolarHBondContact O-OG 2.91Å; Y125-S127 VanDerWaalsContact C-N 3.31Å; Y125-S127 PolarHBondContact O-N 3.28Å
128T80.4Confident83.2Confident128 Ų128106.4 Ų106.479%0.78557%0.565SS**  trans-117.8142.7176.353.40000109.6
129V86.1Confident83.4Confident83 Ų83106 Ų10650%0.50356%0.563SS.*  trans-122.4123.8173.6-174.80000106.2L137 F148V129-L137 HydrophobicContact CG1-CD2 3.81Å; V129-F148 HydrophobicContact CB-CE1 4.37Å; V129-F148 HydrophobicContact CG1-CE1 4.2Å; V129-F148 HydrophobicContact CG2-CE1 4.08Å
130G86.8Confident83.5Confident57 Ų57107.5 Ų107.559%0.58856%0.563SS**  trans-153.8163.2-170.500000112.8
131G86Confident83.4Confident41 Ų41103.7 Ų103.742%0.42354%0.541SS..PPolyproline II helixtrans-79.8172174.400000111.3
132R82.4Confident83.2Confident145 Ų145106.6 Ų106.655%0.54756%0.557SS.*PPolyproline II helixtrans-68.6162.9171.4-160.1178.4-177.3-178.1-2.5109.8N134 E135R132-N134 PolarHBondContact O-N 3.42Å; R132-N134 VanDerWaalsContact O-N 3.12Å; R132-E135 HydrophobicContact CB-CB 3.96Å; R132-E135 HydrophobicContact CB-CG 4.17Å; R132-E135 VanDerWaalsContact CB-OE2 3.25Å; R132-E135 WeakPolarHBondContact CB-OE2 3.38Å; R132-E135 PolarHBondContact O-N 2.92Å; R132-E135 VanDerWaalsContact O-O 3.06Å
133R82.3Confident83Confident220 Ų220108.7 Ų108.783%0.8357%0.572SS**THydrogen-bonded Turntrans-50.7122.3171.4-175.4177.6-179.3173.40.4110.1E135R133-E135 PolarHBondContact O-N 3.29Å
134N82.8Confident83.2Confident157 Ų157114.6 Ų114.684%0.8460%0.597SS**THydrogen-bonded Turntrans63.116.2-178.5-51.7-25.3000115.1R132R132-N134 PolarHBondContact O-N 3.42Å; R132-N134 VanDerWaalsContact O-N 3.12Å
135E85.7Confident83.8Confident110 Ų110111 Ų11151%0.51458%0.582SS.*  trans-120.2133.7174.1-64.1174.6-169.800109.2R132 R133R132-E135 HydrophobicContact CB-CB 3.96Å; R132-E135 HydrophobicContact CB-CG 4.17Å; R132-E135 VanDerWaalsContact CB-OE2 3.25Å; R132-E135 WeakPolarHBondContact CB-OE2 3.38Å; R132-E135 PolarHBondContact O-N 2.92Å; R132-E135 VanDerWaalsContact O-O 3.06Å; R133-E135 PolarHBondContact O-N 3.29Å
136N83.2Confident85Confident152 Ų152103 Ų10381%0.81355%0.552SS**PPolyproline II helixtrans-73.2136.8175.8-66.6-27.5000109.8V138N136-V138 PolarHBondContact O-N 3.46Å
137L88.2Confident86Confident82 Ų8295.3 Ų95.343%0.42952%0.519SS..PPolyproline II helixtrans-74.4116.7167.4-177.764.3000108.9V129 I139V129-L137 HydrophobicContact CG1-CD2 3.81Å; L137-I139 HydrophobicContact CD2-CD1 3.82Å; L137-I139 HydrophobicContact CD2-CG1 4.12Å; L137-I139 HydrophobicContact CG-CD1 4.22Å; L137-I139 HydrophobicContact CG-CG1 3.97Å
138V88.1Confident86.7Confident116 Ų11693.5 Ų93.570%0.70350%0.503SS*.PPolyproline II helixtrans-98.8117.7177.3-178.90000108.8N136 T140N136-V138 PolarHBondContact O-N 3.46Å; V138-T140 HydrophobicContact CG1-CG2 3.93Å
139I88.9Confident87.1Confident57 Ų5791 Ų9129%0.29248%0.483SS..  trans-118.2121.6176.2-56.2172.4000107.3L137 I146 F148 V157L137-I139 HydrophobicContact CD2-CD1 3.82Å; L137-I139 HydrophobicContact CD2-CG1 4.12Å; L137-I139 HydrophobicContact CG-CD1 4.22Å; L137-I139 HydrophobicContact CG-CG1 3.97Å; I139-I146 HydrophobicContact CG2-CB 4.12Å; I139-I146 HydrophobicContact CG2-CD1 3.67Å; I139-I146 HydrophobicContact CG2-CG1 4.43Å; I139-I146 HydrophobicContact CG2-CG2 4.14Å; I139-F148 HydrophobicContact CD1-CE2 3.88Å; I139-F148 HydrophobicContact CD1-CZ 3.76Å; I139-F148 HydrophobicContact CG2-CE2 4.43Å; I139-V157 HydrophobicContact CG2-CB 4.04Å; I139-V157 HydrophobicContact CG2-CG1 4.09Å; I139-V157 HydrophobicContact CG2-CG2 4.09Å
140T88.5Confident87.1Confident77 Ų7791.2 Ų91.247%0.47248%0.478SS..  trans-133.7116.3-177.254.20000111.4V138 N142V138-T140 HydrophobicContact CG1-CG2 3.93Å; T140-N142 PolarHBondContact O-N 2.89Å
141G88.3Confident87Confident3 Ų391.6 Ų91.63%0.03148%0.482CS..  trans-91.876.9172.700000112Q144 V157 E158 K159G141-Q144 CarbonylContact C-O 3.58Å; G141-Q144 WeakPolarHBondContact CA-O 3.36Å; G141-V157 WeakPolarHBondContact CA-O 3.41Å; G141-E158 CarbonylContact O-C 3.45Å; G141-K159 WeakPolarHBondContact O-CA 3.41Å; G141-K159 WeakPolarHBondContact O-CB 3.3Å; G141-K159 PolarHBondContact O-N 3.2Å
142N84.3Confident86.8Confident103 Ų10393 Ų9355%0.55148%0.483SS*.SBendtrans-68.2-54.4-172.7-69.5-34.8000113.3T140T140-N142 PolarHBondContact O-N 2.89Å
143N84.4Confident86.9Confident163 Ų16388.6 Ų88.687%0.87247%0.472SS*.SBendtrans-106.7-30.6-178.2-71.617.7000112.3
144Q87.8Confident87.2Confident155 Ų15582.4 Ų82.472%0.72445%0.451SS*.SBendtrans-134.8146.9178.9-69.4-177.3-4.100109.3G141G141-Q144 CarbonylContact C-O 3.58Å; G141-Q144 WeakPolarHBondContact CA-O 3.36Å
145P90.2Very high87.6Confident59 Ų5977.7 Ų77.738%0.38343%0.426SS..  trans-66.4136.7175.825.3-31.8000111V147 S156 V157 E158P145-V147 HydrophobicContact CB-CG2 4.19Å; P145-V147 HydrophobicContact CG-CG2 4.43Å; P145-S156 WeakPolarHBondContact CB-OG 2.86Å; P145-V157 WeakPolarHBondContact CA-O 3.39Å; P145-E158 HydrophobicContact CB-CG 3.74Å
146I92.4Very high87.9Confident22 Ų2272.8 Ų72.811%0.11340%0.404CS..EExtended strand (participates in β ladder)trans-85.8122.2165.1-58.3177.9000107.1M118 I121 I139 F148 S156 V157M118-I146 HydrophobicContact CB-CG2 4.16Å; I121-I146 HydrophobicContact CD1-CG2 4.14Å; I139-I146 HydrophobicContact CG2-CB 4.12Å; I139-I146 HydrophobicContact CG2-CD1 3.67Å; I139-I146 HydrophobicContact CG2-CG1 4.43Å; I139-I146 HydrophobicContact CG2-CG2 4.14Å; I146-F148 HydrophobicContact CG2-CE2 4Å; I146-F148 HydrophobicContact CG2-CZ 4.36Å; I146-S156 WeakPolarHBondContact O-CA 3.37Å; I146-V157 PolarHBondContact N-O 3.46Å; I146-V157 PolarHBondContact O-N 3.31Å
147V92Very high88.4Confident9 Ų966.4 Ų66.46%0.05537%0.37CS..EExtended strand (participates in β ladder)trans-116.2119.8-173.2178.30000110.2G119 V120 I121 P145 Q149 K154 L155G119-V147 PolarHBondContact O-N 3.39Å; G119-V147 VanDerWaalsContact O-N 3.12Å; V120-V147 CarbonylContact C-O 3.55Å; V120-V147 WeakPolarHBondContact CA-O 3.49Å; V120-V147 HydrophobicContact CG1-CB 4.33Å; V120-V147 HydrophobicContact CG1-CG1 4.28Å; V120-V147 HydrophobicContact CG2-CB 4.35Å; I121-V147 PolarHBondContact N-O 2.86Å; P145-V147 HydrophobicContact CB-CG2 4.19Å; P145-V147 HydrophobicContact CG-CG2 4.43Å; V147-Q149 HydrophobicContact CG1-CB 4.24Å; V147-K154 HydrophobicContact CG1-CD 3.97Å; V147-K154 VanDerWaalsContact CG1-CE 3.46Å; V147-K154 HydrophobicContact CG1-CG 3.69Å; V147-L155 CarbonylContact C-O 3.59Å; V147-L155 WeakPolarHBondContact CA-O 3.47Å
148F91.3Very high88.5Confident24 Ų2466.4 Ų66.411%0.10537%0.368CS..EExtended strand (participates in β ladder)trans-94.3118.4164.3-59.1-94.3000108.4I121 P123 V129 I139 I146 K154 L155I121-F148 HydrophobicContact CB-CD1 3.81Å; I121-F148 HydrophobicContact CB-CE1 4.08Å; I121-F148 HydrophobicContact CD1-CD1 3.91Å; I121-F148 HydrophobicContact CD1-CE1 3.29Å; I121-F148 HydrophobicContact CD1-CE2 4.39Å; I121-F148 HydrophobicContact CD1-CZ 3.57Å; I121-F148 HydrophobicContact CG1-CD1 4.47Å; I121-F148 HydrophobicContact CG1-CE1 4.28Å; I121-F148 HydrophobicContact CG2-CD1 3.82Å; I121-F148 HydrophobicContact CG2-CE1 4.03Å; I121-F148 WeakPolarHBondContact O-CA 3.29Å; P123-F148 HydrophobicContact CG-CD1 4.37Å; V129-F148 HydrophobicContact CB-CE1 4.37Å; V129-F148 HydrophobicContact CG1-CE1 4.2Å; V129-F148 HydrophobicContact CG2-CE1 4.08Å; I139-F148 HydrophobicContact CD1-CE2 3.88Å; I139-F148 HydrophobicContact CD1-CZ 3.76Å; I139-F148 HydrophobicContact CG2-CE2 4.43Å; I146-F148 HydrophobicContact CG2-CE2 4Å; I146-F148 HydrophobicContact CG2-CZ 4.36Å; F148-K154 CarbonylContact O-C 3.55Å; F148-K154 WeakPolarHBondContact O-CA 3.39Å; F148-L155 HydrophobicContact CB-CB 4.17Å; F148-L155 HydrophobicContact CB-CD2 4.46Å; F148-L155 HydrophobicContact CD2-CD2 3.85Å; F148-L155 HydrophobicContact CD2-CG 4.07Å; F148-L155 HydrophobicContact CE2-CD2 4.5Å; F148-L155 HydrophobicContact CG-CD2 4.35Å; F148-L155 PolarHBondContact N-O 3.39Å; F148-L155 PolarHBondContact O-N 2.88Å
149Q89.6Confident88.6Confident75 Ų7567.9 Ų67.935%0.3537%0.365SS..EExtended strand (participates in β ladder)trans-127.1122.7-177.4-177177.9-0.500111.4V120 I121 H122 V147 T153V120-Q149 HydrophobicContact CG1-CB 4.36Å; I121-Q149 PolarHBondContact O-N 3.26Å; H122-Q149 PolarHBondContact ND1-O 2.88Å; V147-Q149 HydrophobicContact CG1-CB 4.24Å; Q149-T153 WeakPolarHBondContact CA-O 3.41Å
150Q86Confident88.5Confident88 Ų8872.5 Ų72.541%0.41139%0.39SS..EExtended strand (participates in β ladder)trans-130.4105.8173.4-174.4172.351.700109.3P123 L124 T152 T153P123-Q150 PolarHBondContact O-NE2 3.39Å; L124-Q150 PolarHBondContact O-NE2 3.27Å; Q150-T152 PolarHBondContact O-N 3.49Å; Q150-T153 PolarHBondContact N-O 2.85Å; Q150-T153 PolarHBondContact O-N 2.93Å; Q150-T153 PolarHBondContact O-OG1 2.89Å
151G83.9Confident88.5Confident65 Ų6574.3 Ų74.367%0.6739%0.392SS*.THydrogen-bonded Turntrans58.9-120.8-17400000111.5
152T81.9Confident88.6Confident71 Ų7178.5 Ų78.544%0.43642%0.417SS..THydrogen-bonded Turntrans-85.9-10.717754.40000113.6Q150 D167Q150-T152 PolarHBondContact O-N 3.49Å; T152-D167 WeakPolarHBondContact CB-OD2 3.17Å; T152-D167 WeakPolarHBondContact CG2-OD2 3.44Å
153T85.1Confident88.8Confident53 Ų5375.1 Ų75.133%0.32540%0.401SS..EExtended strand (participates in β ladder)trans-88.1133.1179.367.60000111.2Q149 Q150 T165Q149-T153 WeakPolarHBondContact CA-O 3.41Å; Q150-T153 PolarHBondContact N-O 2.85Å; Q150-T153 PolarHBondContact O-N 2.93Å; Q150-T153 PolarHBondContact O-OG1 2.89Å; T153-T165 CarbonylContact C-O 3.5Å; T153-T165 WeakPolarHBondContact CA-O 3.39Å
154K89.9Confident89Confident90 Ų9070.8 Ų70.839%0.39138%0.377SS..EExtended strand (participates in β ladder)trans-137123.5-176.4-175.9176.3170.2173.20110.9V147 F148 I164 T165V147-K154 HydrophobicContact CG1-CD 3.97Å; V147-K154 VanDerWaalsContact CG1-CE 3.46Å; V147-K154 HydrophobicContact CG1-CG 3.69Å; F148-K154 CarbonylContact O-C 3.55Å; F148-K154 WeakPolarHBondContact O-CA 3.39Å; K154-I164 CarbonylContact O-C 3.56Å; K154-I164 WeakPolarHBondContact O-CA 3.19Å; K154-T165 PolarHBondContact N-O 2.93Å; K154-T165 PolarHBondContact O-N 2.86Å
155L90.5Very high88.9Confident57 Ų5766.9 Ų66.930%0.29836%0.364SS..EExtended strand (participates in β ladder)trans-108.5117.1167.4163.568.8000108.2V147 F148 V157 T162 I164V147-L155 CarbonylContact C-O 3.59Å; V147-L155 WeakPolarHBondContact CA-O 3.47Å; F148-L155 HydrophobicContact CB-CB 4.17Å; F148-L155 HydrophobicContact CB-CD2 4.46Å; F148-L155 HydrophobicContact CD2-CD2 3.85Å; F148-L155 HydrophobicContact CD2-CG 4.07Å; F148-L155 HydrophobicContact CE2-CD2 4.5Å; F148-L155 HydrophobicContact CG-CD2 4.35Å; F148-L155 PolarHBondContact N-O 3.39Å; F148-L155 PolarHBondContact O-N 2.88Å; L155-V157 HydrophobicContact CD1-CG2 4.49Å; L155-T162 HydrophobicContact CD1-CG2 3.75Å; L155-I164 HydrophobicContact CD1-CD1 4.09Å; L155-I164 HydrophobicContact CD1-CG1 3.72Å
156S92.2Very high88.5Confident8 Ų865.3 Ų65.36%0.05635%0.354CS..EExtended strand (participates in β ladder)trans-115.1123.6-179.7-172.10000109.9P145 I146 T162 S163P145-S156 WeakPolarHBondContact CB-OG 2.86Å; I146-S156 WeakPolarHBondContact O-CA 3.37Å; S156-T162 CarbonylContact O-C 3.59Å; S156-T162 WeakPolarHBondContact O-CA 3.19Å; S156-S163 PolarHBondContact N-O 3.46Å; S156-S163 PolarHBondContact O-N 3.42Å
157V92.8Very high87.8Confident18 Ų1870.2 Ų70.211%0.10938%0.381CS..EExtended strand (participates in β ladder)trans-109.8109.1176.1-174.40000108.8I139 G141 P145 I146 L155 T162I139-V157 HydrophobicContact CG2-CB 4.04Å; I139-V157 HydrophobicContact CG2-CG1 4.09Å; I139-V157 HydrophobicContact CG2-CG2 4.09Å; G141-V157 WeakPolarHBondContact CA-O 3.41Å; P145-V157 WeakPolarHBondContact CA-O 3.39Å; I146-V157 PolarHBondContact N-O 3.46Å; I146-V157 PolarHBondContact O-N 3.31Å; L155-V157 HydrophobicContact CD1-CG2 4.49Å; V157-T162 HydrophobicContact CG2-CG2 4.22Å
158E91.6Very high86.9Confident81 Ų8176.7 Ų76.738%0.37941%0.414SS..EExtended strand (participates in β ladder)trans-107.1168.8174.3-65.1163.7-143.800110.1G141 P145 N160 K161G141-E158 CarbonylContact O-C 3.45Å; P145-E158 HydrophobicContact CB-CG 3.74Å; E158-N160 VanDerWaalsContact C-N 3.26Å; E158-N160 PolarHBondContact O-N 3.26Å; E158-N160 VanDerWaalsContact O-N 3.15Å; E158-K161 WeakPolarHBondContact CA-O 3.46Å; E158-K161 HydrophobicContact CB-CB 4.34Å; E158-K161 WeakPolarHBondContact CB-O 3.38Å; E158-K161 PolarHBondContact N-O 2.83Å; E158-K161 PolarHBondContact O-N 2.83Å
159K88.3Confident86.1Confident148 Ų14876.7 Ų76.764%0.64342%0.421SS*.THydrogen-bonded Turntrans-51.8-41.2-176.6-172.1177.4179.7176.60114.1G141G141-K159 WeakPolarHBondContact O-CA 3.41Å; G141-K159 WeakPolarHBondContact O-CB 3.3Å; G141-K159 PolarHBondContact O-N 3.2Å
160N88.3Confident85.6Confident153 Ų15375.4 Ų75.482%0.81842%0.415SS*.THydrogen-bonded Turntrans-122.54.3-174.7-62.9-26.3000113E158E158-N160 VanDerWaalsContact C-N 3.26Å; E158-N160 PolarHBondContact O-N 3.26Å; E158-N160 VanDerWaalsContact O-N 3.15Å
161K87.6Confident85.3Confident116 Ų11675.7 Ų75.750%0.50442%0.416SS..EExtended strand (participates in β ladder)trans-147.4133.3-171.6-175.9-176.2178.2-169.70110.2E158E158-K161 WeakPolarHBondContact CA-O 3.46Å; E158-K161 HydrophobicContact CB-CB 4.34Å; E158-K161 WeakPolarHBondContact CB-O 3.38Å; E158-K161 PolarHBondContact N-O 2.83Å; E158-K161 PolarHBondContact O-N 2.83Å
162T89.8Confident85.3Confident91 Ų9176.7 Ų76.756%0.55840%0.402SS*.EExtended strand (participates in β ladder)trans-111.4121.6163.3-53.50000107.6L155 S156 V157L155-T162 HydrophobicContact CD1-CG2 3.75Å; S156-T162 CarbonylContact O-C 3.59Å; S156-T162 WeakPolarHBondContact O-CA 3.19Å; V157-T162 HydrophobicContact CG2-CG2 4.22Å
163S88.6Confident85.4Confident31 Ų3178.4 Ų78.422%0.21740%0.404CS..EExtended strand (participates in β ladder)trans-114.8130.3-179.3-167.20000109.2S156S156-S163 PolarHBondContact N-O 3.46Å; S156-S163 PolarHBondContact O-N 3.42Å
164I88.4Confident85.3Confident73 Ų7377.4 Ų77.437%0.37440%0.397SS..EExtended strand (participates in β ladder)trans-118.9127.3172.7-41.6-176000107K154 L155 M170 F172K154-I164 CarbonylContact O-C 3.56Å; K154-I164 WeakPolarHBondContact O-CA 3.19Å; L155-I164 HydrophobicContact CD1-CD1 4.09Å; L155-I164 HydrophobicContact CD1-CG1 3.72Å; I164-M170 HydrophobicContact CB-CE 4.42Å; I164-M170 HydrophobicContact CB-SD 3.6Å; I164-M170 VanDerWaalsContact CB-SD 3.6Å; I164-M170 HydrophobicContact CG2-SD 3.25Å; I164-M170 WeakPolarHBondContact CG2-SD 3.47Å; I164-F172 HydrophobicContact CD1-CE1 4.03Å; I164-F172 HydrophobicContact CD1-CZ 3.89Å
165T86.4Confident84.8Confident72 Ų7277.7 Ų77.744%0.44241%0.408SS..EExtended strand (participates in β ladder)trans-131.4132.2-176.5-52.50000108.5T153 K154T153-T165 CarbonylContact C-O 3.5Å; T153-T165 WeakPolarHBondContact CA-O 3.39Å; K154-T165 PolarHBondContact N-O 2.93Å; K154-T165 PolarHBondContact O-N 2.86Å
166S82.9Confident84.6Confident27 Ų2785.6 Ų85.619%0.18943%0.433CS..  trans-148.9136.4179.1175.60000108.3I168 G169S166-I168 PolarHBondContact OG-N 2.85Å; S166-G169 VanDerWaalsContact CB-O 3.3Å; S166-G169 WeakPolarHBondContact CB-O 3.45Å; S166-G169 PolarHBondContact OG-N 3.37Å; S166-G169 PolarHBondContact OG-O 3.26Å
167D77.6Confident84.5Confident125 Ų12588.7 Ų88.767%0.66845%0.452SS*.SBendtrans-77.8-24.5178-65.9-16000112.4T152T152-D167 WeakPolarHBondContact CB-OD2 3.17Å; T152-D167 WeakPolarHBondContact CG2-OD2 3.44Å
168I72.9Confident84.1Confident145 Ų14593.8 Ų93.874%0.74448%0.475SS*.SBendtrans-101-18.3-172.5-53.6170000111.3S166S166-I168 PolarHBondContact OG-N 2.85Å
169G74.7Confident83.8Confident24 Ų2494.8 Ų94.825%0.24748%0.483CS..  trans119172.3-17500000113S166 T184S166-G169 VanDerWaalsContact CB-O 3.3Å; S166-G169 WeakPolarHBondContact CB-O 3.45Å; S166-G169 PolarHBondContact OG-N 3.37Å; S166-G169 PolarHBondContact OG-O 3.26Å; G169-T184 WeakPolarHBondContact CA-OG1 3.43Å
170M77.9Confident83.4Confident47 Ų4791.5 Ų91.523%0.23247%0.472CS..  trans-138.8140.6-174.2-58.1-176.6-66.200109.6I164 F172 S183 T184I164-M170 HydrophobicContact CB-CE 4.42Å; I164-M170 HydrophobicContact CB-SD 3.6Å; I164-M170 VanDerWaalsContact CB-SD 3.6Å; I164-M170 HydrophobicContact CG2-SD 3.25Å; I164-M170 WeakPolarHBondContact CG2-SD 3.47Å; M170-F172 HydrophobicContact CB-CE2 4.29Å; M170-S183 CarbonylContact O-C 3.59Å; M170-S183 WeakPolarHBondContact O-CA 3.23Å; M170-T184 HydrophobicContact CB-CG2 4.37Å; M170-T184 HydrophobicContact CE-CG2 4.06Å; M170-T184 PolarHBondContact N-OG1 3.46Å; M170-T184 PolarHBondContact O-N 2.83Å
171Q81Confident83.1Confident95 Ų9590.5 Ų90.544%0.44447%0.465SS..EExtended strand (participates in β ladder)trans-128.6136175.8-62.9-179.523.300109.6F182Q171-F182 CarbonylContact C-O 3.57Å; Q171-F182 WeakPolarHBondContact CA-O 3.35Å
172F82.8Confident82.7Confident86 Ų8690.5 Ų90.538%0.37747%0.466SS..EExtended strand (participates in β ladder)trans-114.9119.9174.7-61.3-106.5000106.2I164 M170 I180 L181 F182I164-F172 HydrophobicContact CD1-CE1 4.03Å; I164-F172 HydrophobicContact CD1-CZ 3.89Å; M170-F172 HydrophobicContact CB-CE2 4.29Å; F172-I180 CarbonylContact O-C 3.54Å; F172-L181 PolarHBondContact O-N 2.84Å; F172-F182 HydrophobicContact CB-CB 4.24Å; F172-F182 HydrophobicContact CD2-CB 4.15Å; F172-F182 AromaticContact CD2-CD1 3.48Å; F172-F182 HydrophobicContact CD2-CD1 3.48Å; F172-F182 VanDerWaalsContact CD2-CD1 3.48Å; F172-F182 HydrophobicContact CD2-CE1 4.38Å; F172-F182 HydrophobicContact CD2-CG 4.3Å; F172-F182 AromaticContact CE2-CD1 3.61Å; F172-F182 HydrophobicContact CE2-CD1 3.61Å; F172-F182 HydrophobicContact CE2-CE1 4.08Å; F172-F182 HydrophobicContact CG-CD1 4.48Å; F172-F182 PolarHBondContact N-O 3.41Å; F172-F182 PolarHBondContact O-N 2.89Å
173F83.7Confident82.1Confident106 Ų10687.8 Ų87.847%0.46545%0.45SS..EExtended strand (participates in β ladder)trans-123.9150.6178.558.2-88.3000109.9P175 N179F173-P175 WeakPolarHBondContact O-CD 3.44Å; F173-N179 CarbonylContact C-O 3.53Å; F173-N179 WeakPolarHBondContact CA-O 3.33Å; F173-N179 WeakPolarHBondContact CB-O 3.33Å
174D83.8Confident81.4Confident32 Ų3289.1 Ų89.117%0.17146%0.457CS..  trans-72.4121.9170.5170.910.9000108.9R176 T177 Q178 N179 L181D174-R176 PolarHBondContact O-N 3.48Å; D174-R176 VanDerWaalsContact O-N 3.17Å; D174-R176 PolarHBondContact OD1-N 3.22Å; D174-R176 IonicContact OD1-NE 3.84Å; D174-T177 VanDerWaalsContact CB-OG1 3.28Å; D174-T177 WeakPolarHBondContact CB-OG1 3.39Å; D174-T177 VanDerWaalsContact CG-OG1 3.24Å; D174-T177 PolarHBondContact O-N 3.38Å; D174-T177 WeakPolarHBondContact OD2-CG2 3.39Å; D174-T177 PolarHBondContact OD2-OG1 2.84Å; D174-Q178 WeakPolarHBondContact O-CA 3.45Å; D174-Q178 PolarHBondContact O-N 3.27Å; D174-N179 PolarHBondContact N-O 2.84Å; D174-L181 HydrophobicContact CB-CD1 4.26Å; D174-L181 HydrophobicContact CB-CG 4.43Å
175P79.4Confident80.4Confident96 Ų9687.4 Ų87.462%0.62345%0.449SS*.THydrogen-bonded Turntrans-62.5-24.2-178.324.9-35000113.5F173 Q178F173-P175 WeakPolarHBondContact O-CD 3.44Å; P175-Q178 PolarHBondContact O-NE2 3.22Å
176R86.9Confident79.1Confident223 Ų22393.6 Ų93.684%0.84247%0.466SS*.THydrogen-bonded Turntrans-83.5-43.8-178.3-69-179.3-74.3-172.5-5.2112.7D174D174-R176 PolarHBondContact O-N 3.48Å; D174-R176 VanDerWaalsContact O-N 3.17Å; D174-R176 PolarHBondContact OD1-N 3.22Å; D174-R176 IonicContact OD1-NE 3.84Å
177T89.1Confident77.8Confident73 Ų73101 Ų10145%0.44850%0.497SS..THydrogen-bonded Turntrans-95.4-13.6-176.958.30000113.1D174 N179D174-T177 VanDerWaalsContact CB-OG1 3.28Å; D174-T177 WeakPolarHBondContact CB-OG1 3.39Å; D174-T177 VanDerWaalsContact CG-OG1 3.24Å; D174-T177 PolarHBondContact O-N 3.38Å; D174-T177 WeakPolarHBondContact OD2-CG2 3.39Å; D174-T177 PolarHBondContact OD2-OG1 2.84Å; T177-N179 PolarHBondContact O-N 2.87Å; T177-N179 VanDerWaalsContact O-N 3.15Å
178Q84.6Confident76.7Confident126 Ų12699 Ų9959%0.58949%0.489SS*.  trans57.516.4-171.1-61.4-68.3-57.500113.5D174 P175D174-Q178 WeakPolarHBondContact O-CA 3.45Å; D174-Q178 PolarHBondContact O-N 3.27Å; P175-Q178 PolarHBondContact O-NE2 3.22Å
179N84.1Confident75.6Confident102 Ų10296.6 Ų96.655%0.54548%0.475SS..  trans-81.6135.1177.6-72-26.2000110.6F173 D174 T177 L181F173-N179 CarbonylContact C-O 3.53Å; F173-N179 WeakPolarHBondContact CA-O 3.33Å; F173-N179 WeakPolarHBondContact CB-O 3.33Å; D174-N179 PolarHBondContact N-O 2.84Å; T177-N179 PolarHBondContact O-N 2.87Å; T177-N179 VanDerWaalsContact O-N 3.15Å; N179-L181 PolarHBondContact O-N 3.45Å
180I81.6Confident74.5Confident79 Ų79102.2 Ų102.241%0.40550%0.495SS..EExtended strand (participates in β ladder)trans-72.9118.6175.3-56.2170.5000108.5F172F172-I180 CarbonylContact O-C 3.54Å
181L81.7Confident73.4Confident131 Ų131108.4 Ų108.469%0.68652%0.52SS*.EExtended strand (participates in β ladder)trans-88.6-35176.5-59.7179000111.7F172 D174 N179F172-L181 PolarHBondContact O-N 2.84Å; D174-L181 HydrophobicContact CB-CD1 4.26Å; D174-L181 HydrophobicContact CB-CG 4.43Å; N179-L181 PolarHBondContact O-N 3.45Å
182F78.1Confident72.2Confident117 Ų117110.2 Ų110.251%0.51353%0.529SS..EExtended strand (participates in β ladder)trans-153.4138.7-179.8179.3-103.5000109.9Q171 F172 T184Q171-F182 CarbonylContact C-O 3.57Å; Q171-F182 WeakPolarHBondContact CA-O 3.35Å; F172-F182 HydrophobicContact CB-CB 4.24Å; F172-F182 HydrophobicContact CD2-CB 4.15Å; F172-F182 AromaticContact CD2-CD1 3.48Å; F172-F182 HydrophobicContact CD2-CD1 3.48Å; F172-F182 VanDerWaalsContact CD2-CD1 3.48Å; F172-F182 HydrophobicContact CD2-CE1 4.38Å; F172-F182 HydrophobicContact CD2-CG 4.3Å; F172-F182 AromaticContact CE2-CD1 3.61Å; F172-F182 HydrophobicContact CE2-CD1 3.61Å; F172-F182 HydrophobicContact CE2-CE1 4.08Å; F172-F182 HydrophobicContact CG-CD1 4.48Å; F172-F182 PolarHBondContact N-O 3.41Å; F172-F182 PolarHBondContact O-N 2.89Å; F182-T184 HydrophobicContact CD1-CG2 4.39Å; F182-T184 HydrophobicContact CE1-CG2 3.43Å; F182-T184 VanDerWaalsContact CE1-CG2 3.43Å; F182-T184 HydrophobicContact CZ-CG2 3.81Å
183S77.9Confident71.2Confident33 Ų33110.3 Ų110.323%0.23153%0.533CS..EExtended strand (participates in β ladder)trans-137.4139.9175.1-179.40000109.4M170 D185M170-S183 CarbonylContact O-C 3.59Å; M170-S183 WeakPolarHBondContact O-CA 3.23Å; S183-D185 WeakPolarHBondContact OG-CB 3.32Å; S183-D185 PolarHBondContact OG-N 3.27Å; S183-D185 VanDerWaalsContact OG-N 3.14Å
184T73.4Confident70.2Confident60 Ų60109 Ų10937%0.36854%0.535SS..  trans-102.53.4169.272.90000112.3G169 M170 F182 Y186G169-T184 WeakPolarHBondContact CA-OG1 3.43Å; M170-T184 HydrophobicContact CB-CG2 4.37Å; M170-T184 HydrophobicContact CE-CG2 4.06Å; M170-T184 PolarHBondContact N-OG1 3.46Å; M170-T184 PolarHBondContact O-N 2.83Å; F182-T184 HydrophobicContact CD1-CG2 4.39Å; F182-T184 HydrophobicContact CE1-CG2 3.43Å; F182-T184 VanDerWaalsContact CE1-CG2 3.43Å; F182-T184 HydrophobicContact CZ-CG2 3.81Å; T184-Y186 PolarHBondContact O-N 2.84Å
185D68.6Low69.2Low36 Ų36113.8 Ų113.819%0.19357%0.571CS.*  trans-71.9107.1175.7-175.4-6.5000109.1S183 E187 T188S183-D185 WeakPolarHBondContact OG-CB 3.32Å; S183-D185 PolarHBondContact OG-N 3.27Å; S183-D185 VanDerWaalsContact OG-N 3.14Å; D185-E187 PolarHBondContact OD1-N 3.36Å; D185-T188 PolarHBondContact OD1-N 3.29Å; D185-T188 WeakPolarHBondContact OD2-CB 3.47Å; D185-T188 VanDerWaalsContact OD2-CG2 3.23Å; D185-T188 WeakPolarHBondContact OD2-CG2 3.28Å; D185-T188 PolarHBondContact OD2-OG1 2.87Å
186Y57.8Low68.6Low203 Ų203112.6 Ų112.680%0.79658%0.576SS**THydrogen-bonded Turntrans-75.2-26.5-178-176.3-93.2000112.3T184T184-Y186 PolarHBondContact O-N 2.84Å
187E55.9Low67.9Low182 Ų182105.1 Ų105.185%0.8556%0.555SS**THydrogen-bonded Turntrans-85.8-30.8-172.7-65.8-142.9161.300113D185D185-E187 PolarHBondContact OD1-N 3.36Å
188T55.6Low67.3Low83 Ų83111.7 Ų111.751%0.50958%0.577SS.*THydrogen-bonded Turntrans-95.8-15.3-177.363.40000114.1D185D185-T188 PolarHBondContact OD1-N 3.29Å; D185-T188 WeakPolarHBondContact OD2-CB 3.47Å; D185-T188 VanDerWaalsContact OD2-CG2 3.23Å; D185-T188 WeakPolarHBondContact OD2-CG2 3.28Å; D185-T188 PolarHBondContact OD2-OG1 2.87Å
189H49.4Very low67.2Low94 Ų94110.6 Ų110.644%0.43558%0.584SS.*SBendtrans-140.491.3180-6477.1000108.6F191H189-F191 PolarHBondContact O-N 2.85Å
190E51.5Low67.1Low142 Ų142110.6 Ų110.666%0.66458%0.583SS**  trans-43.2136.6162-67.5-177.9157.200108H192E190-H192 PolarHBondContact O-CD2 3.26Å; E190-H192 PolarHBondContact O-N 3.38Å; E190-H192 IonicContact OE2-CE1 3.95Å; E190-H192 PolarHBondContact OE2-CE1 3.46Å; E190-H192 IonicContact OE2-ND1 3.72Å
191F53.9Low67.2Low177 Ų177114.2 Ų114.278%0.77660%0.603SS**  trans-62.183.4166.6-173.9-92.9000107.5H189 L193H189-F191 PolarHBondContact O-N 2.85Å; F191-L193 PolarHBondContact O-N 2.83Å; F191-L193 VanDerWaalsContact O-N 3.15Å
192H55.8Low67.2Low134 Ų134111.5 Ų111.562%0.6259%0.592SS**PPolyproline II helixtrans-64.5119.6174.2-68.9-59.5000105.5E190 P194E190-H192 PolarHBondContact O-CD2 3.26Å; E190-H192 PolarHBondContact O-N 3.38Å; E190-H192 IonicContact OE2-CE1 3.95Å; E190-H192 PolarHBondContact OE2-CE1 3.46Å; E190-H192 IonicContact OE2-ND1 3.72Å; H192-P194 WeakPolarHBondContact O-CD 3.32Å
193L62.9Low67.4Low87 Ų87115.9 Ų115.946%0.45561%0.614SS.*PPolyproline II helixtrans-50.3122.8172.5-85.571.1000107.2F191 S195 V197 L200F191-L193 PolarHBondContact O-N 2.83Å; F191-L193 VanDerWaalsContact O-N 3.15Å; L193-S195 PolarHBondContact O-N 3.29Å; L193-V197 HydrophobicContact CB-CB 4.39Å; L193-V197 HydrophobicContact CD2-CB 4.26Å; L193-V197 HydrophobicContact CD2-CG1 3.86Å; L193-L200 HydrophobicContact CD2-CB 4.46Å; L193-L200 HydrophobicContact CD2-CD1 4.1Å; L193-L200 HydrophobicContact CD2-CD2 4.26Å
194P62.9Low67.6Low80 Ų80123.2 Ų123.252%0.51964%0.642SS.*PPolyproline II helixtrans-56.1144.9-178.416.1-27.1000110.4H192 G196 V197H192-P194 WeakPolarHBondContact O-CD 3.32Å; P194-G196 PolarHBondContact O-N 2.86Å; P194-G196 VanDerWaalsContact O-N 3.14Å; P194-V197 HydrophobicContact CG-CG2 3.87Å; P194-V197 WeakPolarHBondContact O-CG2 3.32Å; P194-V197 PolarHBondContact O-N 2.87Å
195S61.7Low68.1Low132 Ų132123.4 Ų123.492%0.92365%0.649SS**THydrogen-bonded Turntrans-55.5122.6-17858.80000110.6L193L193-S195 PolarHBondContact O-N 3.29Å
196G67.6Low68.8Low70 Ų70127.4 Ų127.472%0.72268%0.68SS**THydrogen-bonded Turntrans111-5.2179.300000115.3P194 K198P194-G196 PolarHBondContact O-N 2.86Å; P194-G196 VanDerWaalsContact O-N 3.14Å; G196-K198 PolarHBondContact O-N 2.88Å; G196-K198 VanDerWaalsContact O-N 3.12Å
197V72.1Confident70.1Confident67 Ų67122 Ų12241%0.40667%0.669SS.*  trans-67.5109.9171.5178.30000109.6L193 P194 S199L193-V197 HydrophobicContact CB-CB 4.39Å; L193-V197 HydrophobicContact CD2-CB 4.26Å; L193-V197 HydrophobicContact CD2-CG1 3.86Å; P194-V197 HydrophobicContact CG-CG2 3.87Å; P194-V197 WeakPolarHBondContact O-CG2 3.32Å; P194-V197 PolarHBondContact O-N 2.87Å; V197-S199 WeakPolarHBondContact CG1-O 3.48Å
198K76.3Confident71.4Confident210 Ų210123.1 Ų123.191%0.91367%0.674SS**  trans-94.3-22.1178.7-67.1-177.4-180-179.60113.8G196G196-K198 PolarHBondContact O-N 2.88Å; G196-K198 VanDerWaalsContact O-N 3.12Å
199S82Confident72.9Confident104 Ų104127.9 Ų127.973%0.72768%0.682SS**  trans-134.4126.4-176.4-175.60000109.2V197V197-S199 WeakPolarHBondContact CG1-O 3.48Å
200L82.8Confident74.7Confident102 Ų102128.6 Ų128.653%0.53469%0.688SS.*  trans-112.1116.9177.3-17864.5000108.6L193 V202L193-L200 HydrophobicContact CD2-CB 4.46Å; L193-L200 HydrophobicContact CD2-CD1 4.1Å; L193-L200 HydrophobicContact CD2-CD2 4.26Å; L200-V202 HydrophobicContact CD1-CG1 3.67Å; L200-V202 HydrophobicContact CD2-CG1 4.24Å; L200-V202 HydrophobicContact CD2-CG2 4.23Å; L200-V202 HydrophobicContact CG-CG1 3.77Å; L200-V202 HydrophobicContact CG-CG2 4.16Å
201N83.7Confident76.5Confident154 Ų154126 Ų12682%0.82468%0.682SS**  trans-107.8109.3173.4-173.5-1.6000108.9
202V81.9Confident78Confident75 Ų75119.6 Ų119.646%0.45566%0.66SS.*  trans-139.9145.6-175.9-700000110.1L200 A205L200-V202 HydrophobicContact CD1-CG1 3.67Å; L200-V202 HydrophobicContact CD2-CG1 4.24Å; L200-V202 HydrophobicContact CD2-CG2 4.23Å; L200-V202 HydrophobicContact CG-CG1 3.77Å; L200-V202 HydrophobicContact CG-CG2 4.16Å; V202-A205 HydrophobicContact CG2-CB 4.17Å
203Q82.3Confident79.4Confident208 Ų208118.5 Ų118.597%0.97266%0.658SS**SBendtrans-79.1-32.1175.8-66.5-176.94.700112.5
204K82.4Confident80.3Confident187 Ų187119.4 Ų119.481%0.81368%0.678SS**  trans-147.5131.7178.2-174.2179.1179.3-175.20109
205A83.3Confident81.3Confident64 Ų64122 Ų12253%0.52969%0.692SS.*  trans-122.6136.1169.600000108.6V202V202-A205 HydrophobicContact CG2-CB 4.17Å
206S83.8Confident82.5Confident121 Ų121118.2 Ų118.285%0.84667%0.666SS**  trans-121.3110.2171.2-171.10000106.8
207T83.9Confident83.6Confident89 Ų89122.5 Ų122.555%0.54667%0.673SS.*  trans-149.3151.7-178.2-179.60000108.7R209 I210T207-R209 VanDerWaalsContact C-N 3.3Å; T207-R209 PolarHBondContact OG1-N 3.26Å; T207-R209 PolarHBondContact OG1-O 3.37Å; T207-I210 HydrophobicContact CG2-CD1 4.15Å; T207-I210 HydrophobicContact CG2-CG1 3.49Å; T207-I210 VanDerWaalsContact CG2-CG1 3.49Å
208E84.4Confident84.5Confident205 Ų205123.2 Ų123.296%0.95867%0.674SS**SBendtrans-70-31174-60.4-178.1173.600111.6
209R85.4Confident85.2Confident184 Ų184118.7 Ų118.769%0.69466%0.66SS**  trans-150.3128.9-173.2-173.4173.9172.7-179-4.2113.1T207T207-R209 VanDerWaalsContact C-N 3.3Å; T207-R209 PolarHBondContact OG1-N 3.26Å; T207-R209 PolarHBondContact OG1-O 3.37Å
210I88.4Confident85.5Confident109 Ų109119.2 Ų119.256%0.55965%0.653SS**  trans-109.4118.2167.9-53.2174.1000107.4T207 L218T207-I210 HydrophobicContact CG2-CD1 4.15Å; T207-I210 HydrophobicContact CG2-CG1 3.49Å; T207-I210 VanDerWaalsContact CG2-CG1 3.49Å; I210-L218 HydrophobicContact CG2-CD1 4.06Å; I210-L218 HydrophobicContact CG2-CD2 3.85Å
211T88.1Confident85.8Confident88 Ų88122.4 Ų122.454%0.5466%0.663SS.*  trans-139.5142.3-179.5-1690000110.2
212S86.6Confident85.9Confident42 Ų42118.7 Ų118.729%0.29465%0.645SS.*  trans-81.1171.5164.857.40000110.7S216S212-S216 WeakPolarHBondContact CB-O 3.35Å; S212-S216 PolarHBondContact OG-O 2.88Å
213N84.3Confident86Confident111 Ų111123.7 Ų123.759%0.59467%0.67SS**  trans-66.1151.5167-170-34000109.5T215 S216N213-T215 PolarHBondContact O-N 3.36Å; N213-S216 WeakPolarHBondContact CB-OG 3.27Å; N213-S216 PolarHBondContact N-OG 3.15Å; N213-S216 PolarHBondContact O-N 3.42Å; N213-S216 PolarHBondContact O-OG 3.31Å
214A82Confident86Confident106 Ų106117.3 Ų117.388%0.87666%0.66SS**THydrogen-bonded Turntrans-55.1-20.4-178.600000114.7
215T84.4Confident86.2Confident133 Ų133118.1 Ų118.182%0.81666%0.657SS**THydrogen-bonded Turntrans-106.50.1-177.953.20000113.9N213N213-T215 PolarHBondContact O-N 3.36Å
216S87.7Confident86.3Confident54 Ų54118.2 Ų118.238%0.37866%0.659SS.*SBendtrans-130.7148.2-172.663.90000112.2S212 N213S212-S216 WeakPolarHBondContact CB-O 3.35Å; S212-S216 PolarHBondContact OG-O 2.88Å; N213-S216 WeakPolarHBondContact CB-OG 3.27Å; N213-S216 PolarHBondContact N-OG 3.15Å; N213-S216 PolarHBondContact O-N 3.42Å; N213-S216 PolarHBondContact O-OG 3.31Å
217D90.1Very high86.6Confident159 Ų159116.8 Ų116.885%0.8564%0.64SS**  trans-76.9144.4175.2-59.3-30.8000111.8
218L90.6Very high86.9Confident83 Ų83117.8 Ų117.844%0.43565%0.646SS.*  trans-87.9112170-179.260.8000109I210 I220I210-L218 HydrophobicContact CG2-CD1 4.06Å; I210-L218 HydrophobicContact CG2-CD2 3.85Å; L218-I220 HydrophobicContact CD2-CD1 4.32Å; L218-I220 HydrophobicContact CG-CD1 4.49Å; L218-I220 HydrophobicContact CG-CG1 4.25Å
219N90.4Very high87.3Confident115 Ų115117.8 Ų117.862%0.61564%0.637SS**  trans-107.3118176.6-164.9-26.9000110.8K221N219-K221 WeakPolarHBondContact ND2-CE 3.31Å; N219-K221 VanDerWaalsContact OD1-CG 3.26Å; N219-K221 WeakPolarHBondContact OD1-CG 3.48Å
220I89.8Confident87.5Confident115 Ų115110.8 Ų110.859%0.5962%0.623SS**  trans-108.5106.8175.9-57.9175.2000107.4L218 V222L218-I220 HydrophobicContact CD2-CD1 4.32Å; L218-I220 HydrophobicContact CG-CD1 4.49Å; L218-I220 HydrophobicContact CG-CG1 4.25Å; I220-V222 HydrophobicContact CG2-CG2 4.27Å
221K89.2Confident87.5Confident169 Ų169114 Ų11474%0.73564%0.641SS**  trans-106137.6175.5-61.9-172.6-1801800109.9N219N219-K221 WeakPolarHBondContact ND2-CE 3.31Å; N219-K221 VanDerWaalsContact OD1-CG 3.26Å; N219-K221 WeakPolarHBondContact OD1-CG 3.48Å
222V85.4Confident87.5Confident75 Ų75119 Ų11946%0.45566%0.658SS.*  trans-137.6129.8179.2-177.70000109I220 G224 R225 A226I220-V222 HydrophobicContact CG2-CG2 4.27Å; V222-G224 VanDerWaalsContact C-N 3.31Å; V222-G224 PolarHBondContact O-N 2.92Å; V222-R225 VanDerWaalsContact CG1-C 3.47Å; V222-A226 HydrophobicContact CB-CB 4.08Å; V222-A226 HydrophobicContact CG1-CB 4.14Å; V222-A226 HydrophobicContact CG2-CB 3.65Å
223D83.6Confident87.6Confident181 Ų181118.9 Ų118.997%0.96866%0.664SS**SBendtrans-76.4-18.5-175.5-63.7-27.8000113.3
224G82.6Confident88Confident74 Ų74117.1 Ų117.176%0.76366%0.657SS**SBendtrans-141.7-80.7-177.100000113.7V222V222-G224 VanDerWaalsContact C-N 3.31Å; V222-G224 PolarHBondContact O-N 2.92Å
225R85.2Confident88.5Confident203 Ų203120.6 Ų120.677%0.76665%0.652SS**  trans-127.8120.4-175.8-173.7-178.6-177.5-176.31.2111.5V222 I227V222-R225 VanDerWaalsContact CG1-C 3.47Å; R225-I227 HydrophobicContact CG-CD1 4.45Å; R225-I227 HydrophobicContact CG-CG1 4.03Å
226A86.4Confident88.9Confident67 Ų67119.2 Ų119.255%0.55464%0.639SS**  trans-95.6134.4169.400000109.4V222V222-A226 HydrophobicContact CB-CB 4.08Å; V222-A226 HydrophobicContact CG1-CB 4.14Å; V222-A226 HydrophobicContact CG2-CB 3.65Å
227I89.8Confident89.1Confident90 Ų90125 Ų12546%0.46266%0.662SS.*  trans-132.1118.6171.8-53.3177.2000107.9R225 R229R225-I227 HydrophobicContact CG-CD1 4.45Å; R225-I227 HydrophobicContact CG-CG1 4.03Å; I227-R229 HydrophobicContact CG2-CG 3.88Å
228V91.3Very high89Confident111 Ų111119.9 Ų119.967%0.67365%0.648SS**  trans-104.6124.5171.8-172.10000107.7V234V228-V234 HydrophobicContact CG1-CG1 3.72Å; V228-V234 HydrophobicContact CG1-CG2 3.99Å
229R91.4Very high89Confident205 Ų205126.1 Ų126.177%0.77467%0.671SS**  trans-132.4136.3179.3-74.8174.7-177.2-174.10.6108.8I227I227-R229 HydrophobicContact CG2-CG 3.88Å
230G90.1Very high89Confident37 Ų37126.4 Ų126.438%0.38168%0.677SS.*  trans-133138.8169.500000109.3E232 G233G230-E232 PolarHBondContact O-N 3.23Å; G230-G233 WeakPolarHBondContact CA-O 3.28Å; G230-G233 PolarHBondContact O-N 3.35Å
231N88.1Confident89Confident177 Ų177124.8 Ų124.895%0.94767%0.669SS**THydrogen-bonded Turntrans-64.8-31.6-179.4-7315.2000112
232E89.4Confident89.1Confident191 Ų191123.3 Ų123.389%0.89367%0.665SS**THydrogen-bonded Turntrans-107.18.6179.6-60.1-176.316700112.6G230G230-E232 PolarHBondContact O-N 3.23Å
233G88.8Confident89.2Confident41 Ų41126.7 Ų126.742%0.42367%0.673SS.*  trans109.4179.9-174.300000113.6G230G230-G233 WeakPolarHBondContact CA-O 3.28Å; G230-G233 PolarHBondContact O-N 3.35Å
234V91.8Very high89.3Confident73 Ų73125.2 Ų125.244%0.44266%0.66SS.*  trans-129.6122.8-177.9179.30000108.4V228 I236V228-V234 HydrophobicContact CG1-CG1 3.72Å; V228-V234 HydrophobicContact CG1-CG2 3.99Å; V234-I236 HydrophobicContact CG1-CG1 4.14Å
235F93.1Very high89.1Confident179 Ų179126.7 Ų126.779%0.78565%0.649SS**  trans-109.8116.1178.1-60.1-85.7000109.6
236I92Very high88.8Confident104 Ų104121.7 Ų121.753%0.53366%0.66SS.*  trans-107.3116.3176.1-52.8177.4000107.6V234 I241 F243V234-I236 HydrophobicContact CG1-CG1 4.14Å; I236-I241 HydrophobicContact CB-CD1 4.44Å; I236-I241 HydrophobicContact CG2-CD1 3.8Å; I236-I241 HydrophobicContact CG2-CG1 4.33Å; I236-I241 HydrophobicContact CG2-CG2 4.28Å; I236-F243 HydrophobicContact CD1-CZ 4.32Å
237M91Very high88.5Confident175 Ų175121.1 Ų121.186%0.86266%0.661SS**  trans-123.9136.5-179.8-63.4-174-66.500109.8
238G89.6Confident87.9Confident53 Ų53124.4 Ų124.455%0.54668%0.679SS.*  trans-170158.2176.500000110.5T240G238-T240 PolarHBondContact O-N 3.42Å
239K90.3Very high87.4Confident214 Ų214123.6 Ų123.693%0.9368%0.675SS**SBendtrans-61.7-36.8171-178.3-179177-176.20110.9
240T90.3Very high87.1Confident120 Ų120121.5 Ų121.574%0.73667%0.673SS**SBendtrans-144132.5175.3-540000107.3G238G238-T240 PolarHBondContact O-N 3.42Å
241I90.6Very high86.9Confident81 Ų81125.6 Ų125.642%0.41569%0.686SS.*  trans-119.3120.4176.8-57.7167.9000106.1I236 F243I236-I241 HydrophobicContact CB-CD1 4.44Å; I236-I241 HydrophobicContact CG2-CD1 3.8Å; I236-I241 HydrophobicContact CG2-CG1 4.33Å; I236-I241 HydrophobicContact CG2-CG2 4.28Å; I241-F243 HydrophobicContact CG2-CD2 4.12Å; I241-F243 HydrophobicContact CG2-CE1 4.34Å; I241-F243 HydrophobicContact CG2-CE2 3.4Å; I241-F243 HydrophobicContact CG2-CZ 3.53Å
242E90.2Very high86.9Confident139 Ų139126 Ų12665%0.6568%0.679SS**  trans-121.6123.7-177.6-165.3178-160.100109.6H244E242-H244 WeakPolarHBondContact CG-NE2 3.38Å; E242-H244 IonicContact OE1-CD2 2.97Å; E242-H244 IonicContact OE1-CE1 3.1Å; E242-H244 PolarHBondContact OE1-CE1 3.21Å; E242-H244 IonicContact OE1-NE2 2.84Å; E242-H244 PolarHBondContact OE1-NE2 3.11Å; E242-H244 IonicContact OE2-CD2 3.97Å; E242-H244 IonicContact OE2-NE2 3Å; E242-H244 PolarHBondContact OE2-NE2 3.48Å
243F87.8Confident86.8Confident145 Ų145119.3 Ų119.364%0.63666%0.657SS**  trans-107.8106.2176-63-78.2000108.9I236 I241I236-F243 HydrophobicContact CD1-CZ 4.32Å; I241-F243 HydrophobicContact CG2-CD2 4.12Å; I241-F243 HydrophobicContact CG2-CE1 4.34Å; I241-F243 HydrophobicContact CG2-CE2 3.4Å; I241-F243 HydrophobicContact CG2-CZ 3.53Å
244H85.2Confident86.8Confident150 Ų150126.8 Ų126.869%0.69468%0.681SS**  trans-93.6112.8172.5-74.9-72.6000109.8E242E242-H244 WeakPolarHBondContact CG-NE2 3.38Å; E242-H244 IonicContact OE1-CD2 2.97Å; E242-H244 IonicContact OE1-CE1 3.1Å; E242-H244 PolarHBondContact OE1-CE1 3.21Å; E242-H244 IonicContact OE1-NE2 2.84Å; E242-H244 PolarHBondContact OE1-NE2 3.11Å; E242-H244 IonicContact OE2-CD2 3.97Å; E242-H244 IonicContact OE2-NE2 3Å; E242-H244 PolarHBondContact OE2-NE2 3.48Å
245M79.2Confident86.6Confident106 Ų106130.8 Ų130.852%0.52270%0.7SS.*  trans-124.6130.7-179.7-61.9178.569.300108.9G247 V249M245-G247 VanDerWaalsContact C-N 3.26Å; M245-G247 PolarHBondContact O-N 3.09Å; M245-V249 HydrophobicContact CB-CG2 4.08Å; M245-V249 HydrophobicContact CE-CG2 4.28Å; M245-V249 HydrophobicContact CG-CG2 4.24Å; M245-V249 HydrophobicContact SD-CB 4.11Å; M245-V249 HydrophobicContact SD-CG1 3.9Å; M245-V249 HydrophobicContact SD-CG2 3.47Å; M245-V249 WeakPolarHBondContact SD-CG2 3.29Å
246G79Confident86.3Confident98 Ų98126.1 Ų126.1100%1.0169%0.689SS**SBendtrans-75.9-13.2178.600000114.1
247G80.3Confident86.2Confident55 Ų55125.3 Ų125.357%0.56769%0.685SS**SBendtrans-127.8-149.9178.900000112M245M245-G247 VanDerWaalsContact C-N 3.26Å; M245-G247 PolarHBondContact O-N 3.09Å
248N76.9Confident86Confident158 Ų158123.6 Ų123.685%0.84568%0.678SS**  trans-73.4146.2-177.1-61-20.1000112
249V81.1Confident85.9Confident95 Ų95126.5 Ų126.558%0.57668%0.68SS**  trans-104.8119.9169.4-171.70000108M245 L251M245-V249 HydrophobicContact CB-CG2 4.08Å; M245-V249 HydrophobicContact CE-CG2 4.28Å; M245-V249 HydrophobicContact CG-CG2 4.24Å; M245-V249 HydrophobicContact SD-CB 4.11Å; M245-V249 HydrophobicContact SD-CG1 3.9Å; M245-V249 HydrophobicContact SD-CG2 3.47Å; M245-V249 WeakPolarHBondContact SD-CG2 3.29Å; V249-L251 HydrophobicContact CG1-CD2 4.49Å
250E83.6Confident85.6Confident160 Ų160124.1 Ų124.175%0.74868%0.678SS**  trans-112.2126175-172-176.3165.800109.2
251L87Confident85.4Confident123 Ų123121.1 Ų121.164%0.64467%0.671SS**  trans-110.7113.8172.8-59.6176.9000108.1V249 I257V249-L251 HydrophobicContact CG1-CD2 4.49Å; L251-I257 HydrophobicContact CB-CD1 3.76Å; L251-I257 WeakPolarHBondContact O-CD1 3.29Å
252K87.3Confident85Confident186 Ų186124 Ų12481%0.80969%0.692SS**  trans-120.6129.1-179.8-174.3175.1-178.61750110.2
253A87.3Confident84.5Confident51 Ų51121.7 Ų121.742%0.42169%0.688SS.*  trans-132.5146.4173.300000109.7S256 I257A253-S256 WeakPolarHBondContact CB-O 3.36Å; A253-I257 HydrophobicContact CB-CD1 4.32Å; A253-I257 HydrophobicContact CB-CG1 3.62Å
254E88.5Confident83.8Confident198 Ų198123.1 Ų123.193%0.92570%0.698SS**SBendtrans-70.3-40.2175.1-66.1-178.3173.500111.5
255N88.8Confident83.3Confident156 Ų156120.4 Ų120.483%0.83469%0.692SS**SBendtrans-105.6-65.3-175.2-69-14.5000112.5
256S87.5Confident82.7Confident81 Ų81119.1 Ų119.157%0.56669%0.694SS**  trans-157.7155-176.862.10000112.6A253A253-S256 WeakPolarHBondContact CB-O 3.36Å
257I87.9Confident81.8Confident88 Ų88117.6 Ų117.645%0.45167%0.666SS.*  trans-113.5118.8167.7-60.3169.3000106.2L251 A253 L259L251-I257 HydrophobicContact CB-CD1 3.76Å; L251-I257 WeakPolarHBondContact O-CD1 3.29Å; A253-I257 HydrophobicContact CB-CD1 4.32Å; A253-I257 HydrophobicContact CB-CG1 3.62Å; I257-L259 HydrophobicContact CG2-CD2 4.28Å; I257-L259 HydrophobicContact CG2-CG 4.36Å
258I87.3Confident80.9Confident138 Ų138120.3 Ų120.371%0.70867%0.672SS**  trans-111.1114.3-179.3-56.8174.9000108.2
259L88.6Confident80.1Confident114 Ų114124 Ų12460%0.59767%0.674SS**  trans-102.695.8172.7-58.4178000108.1I257 V263I257-L259 HydrophobicContact CG2-CD2 4.28Å; I257-L259 HydrophobicContact CG2-CG 4.36Å; L259-V263 HydrophobicContact CB-CG2 3.65Å; L259-V263 HydrophobicContact CD1-CG1 4.35Å; L259-V263 HydrophobicContact CD1-CG2 3.98Å; L259-V263 HydrophobicContact CG-CG2 4.46Å
260N84.1Confident79.3Confident164 Ų164121.1 Ų121.188%0.87766%0.655SS**  trans-91.3107.5-179-167-0.2000110
261G84.5Confident78Confident58 Ų58116.8 Ų116.860%0.59864%0.641SS**SBendtrans140.7-172.3-178.600000112.8V263G261-V263 PolarHBondContact O-N 2.95Å
262T83.4Confident76.7Confident140 Ų140113.8 Ų113.886%0.85963%0.63SS**  trans-77.5102.3173.433.50000110.3
263V79.5Confident75.1Confident91 Ų91105.5 Ų105.555%0.55260%0.596SS**  trans-83.5115.2171.7-175.80000108.5L259 G261 V265L259-V263 HydrophobicContact CB-CG2 3.65Å; L259-V263 HydrophobicContact CD1-CG1 4.35Å; L259-V263 HydrophobicContact CD1-CG2 3.98Å; L259-V263 HydrophobicContact CG-CG2 4.46Å; G261-V263 PolarHBondContact O-N 2.95Å; V263-V265 HydrophobicContact CG1-CG2 4.48Å
264M73.8Confident73.6Confident175 Ų175105 Ų10586%0.86259%0.589SS**  trans-110.8122172.4-64.1-165-6300109.3
265V72.9Confident71.7Confident93 Ų93100.7 Ų100.756%0.56458%0.581SS**  trans-102.7119.3170.2-179.90000106.9V263 P267V263-V265 HydrophobicContact CG1-CG2 4.48Å; V265-P267 VanDerWaalsContact O-CD 3.25Å; V265-P267 WeakPolarHBondContact O-CD 3.25Å
266S67.5Low69.8Low80 Ų8095.7 Ų95.756%0.55957%0.566SS**  trans-76.9115.1175.6-177.10000109.8T268S266-T268 PolarHBondContact O-N 3.11Å; S266-T268 PolarHBondContact OG-OG1 3.16Å; S266-T268 VanDerWaalsContact OG-OG1 3.12Å
267P59.9Low67.9Low65 Ų6598.5 Ų98.542%0.42258%0.575SS.*G310 helixtrans-80.84.6-176.135.1-36.7000113.3V265 R269 L270 K299V265-P267 VanDerWaalsContact O-CD 3.25Å; V265-P267 WeakPolarHBondContact O-CD 3.25Å; P267-R269 PolarHBondContact O-N 2.97Å; P267-R269 VanDerWaalsContact O-N 3.16Å; P267-L270 HydrophobicContact CB-CB 4.48Å; P267-L270 HydrophobicContact CB-CD1 3.77Å; P267-L270 HydrophobicContact CB-CG 4.35Å; P267-L270 PolarHBondContact O-N 3.05Å; P267-K299 PolarHBondContact O-NZ 2.96Å
268T61.5Low65.9Low112 Ų112103.4 Ų103.469%0.68760%0.596SS**G310 helixtrans-61.3-25.5-176.952.50000112.6S266S266-T268 PolarHBondContact O-N 3.11Å; S266-T268 PolarHBondContact OG-OG1 3.16Å; S266-T268 VanDerWaalsContact OG-OG1 3.12Å
269R59.3Low64.1Low236 Ų236103 Ų10389%0.89161%0.606SS**G310 helixtrans-1096.9173.9-63-163.8-118.5-109.45.1114.6P267P267-R269 PolarHBondContact O-N 2.97Å; P267-R269 VanDerWaalsContact O-N 3.16Å
270L65.4Low62.1Low34 Ų34100.8 Ų100.818%0.17861%0.61CS.*SBendtrans-75.8136.7174-71.9175.8000109.8P267 S272 L289 L297P267-L270 HydrophobicContact CB-CB 4.48Å; P267-L270 HydrophobicContact CB-CD1 3.77Å; P267-L270 HydrophobicContact CB-CG 4.35Å; P267-L270 PolarHBondContact O-N 3.05Å; L270-S272 PolarHBondContact O-N 3.44Å; L270-L289 HydrophobicContact CD1-CD1 3.71Å; L270-L297 HydrophobicContact CD2-CB 4.2Å
271P56Low60.1Low69 Ų6998.5 Ų98.545%0.44861%0.607SS.*PPolyproline II helixtrans-58.7130.7175.822.2-29.6000110.1F298 K299P271-F298 HydrophobicContact CG-CB 4.49Å; P271-K299 PolarHBondContact O-N 3.47Å; P271-K299 VanDerWaalsContact O-N 3.16Å
272S60.1Low58.4Low60 Ų6099.9 Ų99.942%0.4262%0.621SS.*BIsolated β-bridgetrans-97.2134176.6-2.30000109.1L270 S274 K299L270-S272 PolarHBondContact O-N 3.44Å; S272-S274 PolarHBondContact O-N 3.11Å; S272-K299 VanDerWaalsContact CB-CE 3.47Å; S272-K299 WeakPolarHBondContact OG-CE 3.27Å
273S53.1Low56.9Low13 Ų13100 Ų1009%0.09162%0.616CS.*  trans-79.513.1174.167.70000113.8K299 D313S273-K299 PolarHBondContact N-O 3.36Å; S273-D313 WeakPolarHBondContact CB-O 3.36Å
274S56.1Low55.9Low41 Ų41106 Ų10629%0.28763%0.629SS.*  trans-99.3113.8-171.556.50000111.7S272 G276S272-S274 PolarHBondContact O-N 3.11Å; S274-G276 PolarHBondContact O-N 3.15Å; S274-G276 VanDerWaalsContact O-N 3.16Å
275S49.1Very low55.6Low107 Ų107101.3 Ų101.375%0.74861%0.61SS**SBendtrans-7195.9159.820.10000109.1
276G48.7Very low55.5Low51 Ų51105.3 Ų105.353%0.52662%0.615SS.*  trans105.8100.1168.200000114.4S274 Q278S274-G276 PolarHBondContact O-N 3.15Å; S274-G276 VanDerWaalsContact O-N 3.16Å; G276-Q278 VanDerWaalsContact C-N 3.3Å; G276-Q278 PolarHBondContact O-N 3.08Å
277D46Very low55.9Low139 Ų139106.7 Ų106.774%0.74361%0.609SS**  trans-64.391.2159.3-86-26.9000108.7S279D277-S279 VanDerWaalsContact C-N 3.33Å; D277-S279 PolarHBondContact O-N 3.25Å; D277-S279 VanDerWaalsContact O-N 3.15Å
278Q47.3Very low56.8Low191 Ų191108 Ų10889%0.89361%0.608SS**  trans-80.291.6161.1-69.9-164.133.300108.3G276 G280G276-Q278 VanDerWaalsContact C-N 3.3Å; G276-Q278 PolarHBondContact O-N 3.08Å; Q278-G280 PolarHBondContact O-N 2.94Å; Q278-G280 VanDerWaalsContact O-N 3.14Å
279S50.2Low57.7Low131 Ų131107.7 Ų107.792%0.91660%0.601SS**  trans-62.6104.1161.1-171.40000108.2D277D277-S279 VanDerWaalsContact C-N 3.33Å; D277-S279 PolarHBondContact O-N 3.25Å; D277-S279 VanDerWaalsContact O-N 3.15Å
280G45.6Very low58.7Low66 Ų6696.6 Ų96.668%0.6856%0.56SS**  trans-171.8106.6179.400000113.4Q278Q278-G280 PolarHBondContact O-N 2.94Å; Q278-G280 VanDerWaalsContact O-N 3.14Å
281S42.3Very low59.6Low117 Ų117101.2 Ų101.282%0.81858%0.582SS**SBendtrans75.396160.5-167.20000118.1D283S281-D283 PolarHBondContact O-N 3.34Å
282G48.2Very low60.8Low87 Ų8798.3 Ų98.390%0.89756%0.564SS**SBend59.6-1113000000121.4
283D53.4Low61.6Low143 Ų143100.6 Ų100.677%0.76559%0.586SS**  trans-105.2138.7-171.5-141.30.6000110.1S281 V285S281-D283 PolarHBondContact O-N 3.34Å; D283-V285 PolarHBondContact O-N 3.35Å
284W56.8Low62.5Low217 Ų217105.1 Ų105.182%0.82261%0.609SS**  trans-65.6106.6-176-68.35.7000109.8R286W284-R286 PolarHBondContact O-N 2.82Å; W284-R286 VanDerWaalsContact O-N 3.13Å
285V67.8Low63.2Low76 Ų76105.3 Ų105.346%0.46162%0.617SS.*  trans-69112177-172.60000109D283 Y287 Q301D283-V285 PolarHBondContact O-N 3.35Å; V285-Y287 HydrophobicContact CB-CE2 3.99Å; V285-Y287 HydrophobicContact CG1-CD2 4.21Å; V285-Y287 HydrophobicContact CG1-CE1 4.29Å; V285-Y287 HydrophobicContact CG1-CE2 3.48Å; V285-Y287 VanDerWaalsContact CG1-CE2 3.48Å; V285-Q301 HydrophobicContact CG1-CG 3.56Å
286R70.9Confident64.5Low177 Ų177102.9 Ų102.967%0.66860%0.598SS**  trans-90.4135.5177.2-61.5-174.3-175.4104.50.9109.5W284 V302W284-R286 PolarHBondContact O-N 2.82Å; W284-R286 VanDerWaalsContact O-N 3.13Å; R286-V302 HydrophobicContact CB-CB 4.3Å; R286-V302 WeakPolarHBondContact O-CB 3.41Å; R286-V302 PolarHBondContact O-N 3.22Å
287Y75.7Confident66Low109 Ų109103 Ų10343%0.42759%0.586SS.*EExtended strand (participates in β ladder)trans-117.1144.8175.1-65.3-90000110.4V285 K299 V300 Q301V285-Y287 HydrophobicContact CB-CE2 3.99Å; V285-Y287 HydrophobicContact CG1-CD2 4.21Å; V285-Y287 HydrophobicContact CG1-CE1 4.29Å; V285-Y287 HydrophobicContact CG1-CE2 3.48Å; V285-Y287 VanDerWaalsContact CG1-CE2 3.48Å; Y287-K299 HydrophobicContact CD1-CB 4.41Å; Y287-K299 HydrophobicContact CD1-CD 4.37Å; Y287-K299 HydrophobicContact CD1-CG 4.39Å; Y287-V300 CarbonylContact C-O 3.58Å; Y287-V300 VanDerWaalsContact CA-O 3.27Å; Y287-V300 WeakPolarHBondContact CA-O 3.31Å; Y287-Q301 HydrophobicContact CD1-CB 4.03Å; Y287-Q301 HydrophobicContact CE1-CB 3.75Å; Y287-Q301 HydrophobicContact CE1-CG 4.14Å
288K79.9Confident67.7Low92 Ų9296.5 Ų96.540%0.455%0.551SS.*EExtended strand (participates in β ladder)trans-101139.5164.9-78.1178.3-179.5-1670109.2K299 V300 V302 M307K288-K299 WeakPolarHBondContact O-CA 3.36Å; K288-V300 PolarHBondContact N-O 3.36Å; K288-V300 PolarHBondContact O-N 3.33Å; K288-V302 HydrophobicContact CB-CG2 4.26Å; K288-V302 HydrophobicContact CD-CG2 3.95Å; K288-V302 HydrophobicContact CG-CG2 3.61Å; K288-M307 WeakPolarHBondContact CD-O 3.45Å; K288-M307 WeakPolarHBondContact CE-O 3.28Å; K288-M307 PolarHBondContact NZ-O 3.22Å
289L79.8Confident69.2Low105 Ų10589.2 Ų89.255%0.5552%0.517SS..EExtended strand (participates in β ladder)trans-93123.8171.9-173.667000108.4L270 L297L270-L289 HydrophobicContact CD1-CD1 3.71Å; L289-L297 HydrophobicContact CD1-CB 4.29Å; L289-L297 HydrophobicContact CD1-CD2 4.32Å; L289-L297 HydrophobicContact CD2-CD2 4.23Å; L289-L297 HydrophobicContact CG-CD2 4.1Å
290C81.4Confident70.7Confident3 Ų383.1 Ų83.12%0.0247%0.474CS..EExtended strand (participates in β ladder)trans-119.3149.3-176.9-65.40000109.7L297 F298 C309C290-L297 WeakPolarHBondContact O-CA 3.47Å; C290-F298 HydrophobicContact CB-CD1 3.82Å; C290-F298 HydrophobicContact CB-CD2 4.07Å; C290-F298 HydrophobicContact CB-CE1 3.33Å; C290-F298 HydrophobicContact CB-CE2 3.64Å; C290-F298 HydrophobicContact CB-CG 4.17Å; C290-F298 HydrophobicContact CB-CZ 3.26Å; C290-F298 PolarHBondContact N-O 3.38Å; C290-F298 WeakPolarHBondContact O-CD1 3.43Å; C290-F298 PolarHBondContact O-N 3.08Å; C290-C309 VanDerWaalsContact CA-SG 3.6Å; C290-C309 HydrophobicContact CB-CB 3.6Å; C290-C309 WeakPolarHBondContact CB-SG 3.37Å; C290-C309 WeakPolarHBondContact SG-CA 3.47Å; C290-C309 WeakPolarHBondContact SG-CB 3.47Å; C290-C309 CovalentContact SG-SG 2.03Å; C290-C309 PolarHBondContact SG-SG 3.45Å
291M83.3Confident72.3Confident131 Ų13182.8 Ų82.865%0.64546%0.455SS*.EExtended strand (participates in β ladder)trans-124.6128-179.4-168.7-177.2-67.800109T296 L297M291-T296 WeakPolarHBondContact CA-O 3.33Å; M291-L297 HydrophobicContact CB-CD2 3.91Å; M291-L297 HydrophobicContact CE-CD2 3.67Å; M291-L297 HydrophobicContact CG-CD2 4.04Å
292C80.5Confident74Confident9 Ų979.2 Ų79.26%0.06143%0.428CS..  trans-72.3163172.7-60.30000111D294 G295 T296 C316C292-D294 WeakPolarHBondContact CB-OD1 3.29Å; C292-D294 PolarHBondContact O-N 3.27Å; C292-G295 PolarHBondContact O-N 3.47Å; C292-T296 WeakPolarHBondContact CB-O 3.44Å; C292-T296 PolarHBondContact N-O 3.07Å; C292-T296 PolarHBondContact SG-O 3.09Å; C292-T296 VanDerWaalsContact SG-O 3.41Å; C292-C316 WeakPolarHBondContact CA-SG 3.23Å; C292-C316 HydrophobicContact CB-CB 3.62Å; C292-C316 WeakPolarHBondContact CB-SG 3.47Å; C292-C316 WeakPolarHBondContact SG-CA 3.36Å; C292-C316 WeakPolarHBondContact SG-CB 3.29Å; C292-C316 CovalentContact SG-SG 2Å; C292-C316 PolarHBondContact SG-SG 3.03Å
293A77Confident75.4Confident107 Ų10780.4 Ų80.488%0.88442%0.418SS*.THydrogen-bonded Turntrans-63.1-23.117700000113.2G295A293-G295 VanDerWaalsContact C-N 3.31Å
294D73.3Confident76.4Confident109 Ų10975.1 Ų75.158%0.58340%0.397SS*.THydrogen-bonded Turntrans-83.9-1.6174.468.7-10000113.5C292 T296C292-D294 WeakPolarHBondContact CB-OD1 3.29Å; C292-D294 PolarHBondContact O-N 3.27Å; D294-T296 VanDerWaalsContact CG-OG1 3.27Å; D294-T296 VanDerWaalsContact OD1-CB 3.3Å; D294-T296 WeakPolarHBondContact OD1-CB 3.23Å; D294-T296 PolarHBondContact OD1-N 3.06Å; D294-T296 PolarHBondContact OD1-OG1 2.99Å; D294-T296 VanDerWaalsContact OD1-OG1 3.06Å; D294-T296 PolarHBondContact OD2-OG1 3.3Å
295G71.2Confident77.1Confident44 Ų4473.9 Ų73.945%0.45440%0.4SS..SBendtrans89.10-178.200000115.1C292 A293 L297C292-G295 PolarHBondContact O-N 3.47Å; A293-G295 VanDerWaalsContact C-N 3.31Å; G295-L297 PolarHBondContact O-N 2.89Å
296T76.3Confident77.4Confident57 Ų5778.3 Ų78.335%0.3542%0.421SS..  trans-66.7125.7177.5-580000110.8M291 C292 D294M291-T296 WeakPolarHBondContact CA-O 3.33Å; C292-T296 WeakPolarHBondContact CB-O 3.44Å; C292-T296 PolarHBondContact N-O 3.07Å; C292-T296 PolarHBondContact SG-O 3.09Å; C292-T296 VanDerWaalsContact SG-O 3.41Å; D294-T296 VanDerWaalsContact CG-OG1 3.27Å; D294-T296 VanDerWaalsContact OD1-CB 3.3Å; D294-T296 WeakPolarHBondContact OD1-CB 3.23Å; D294-T296 PolarHBondContact OD1-N 3.06Å; D294-T296 PolarHBondContact OD1-OG1 2.99Å; D294-T296 VanDerWaalsContact OD1-OG1 3.06Å; D294-T296 PolarHBondContact OD2-OG1 3.3Å
297L80.1Confident77.6Confident52 Ų5272.3 Ų72.327%0.27240%0.402SS..EExtended strand (participates in β ladder)trans-90.7134.1176.4-72.2175.1000111.3L270 L289 C290 M291 G295L270-L297 HydrophobicContact CD2-CB 4.2Å; L289-L297 HydrophobicContact CD1-CB 4.29Å; L289-L297 HydrophobicContact CD1-CD2 4.32Å; L289-L297 HydrophobicContact CD2-CD2 4.23Å; L289-L297 HydrophobicContact CG-CD2 4.1Å; C290-L297 WeakPolarHBondContact O-CA 3.47Å; M291-L297 HydrophobicContact CB-CD2 3.91Å; M291-L297 HydrophobicContact CE-CD2 3.67Å; M291-L297 HydrophobicContact CG-CD2 4.04Å; G295-L297 PolarHBondContact O-N 2.89Å
298F81.1Confident77.6Confident3 Ų369 Ų691%0.01340%0.4CS..EExtended strand (participates in β ladder)trans-139.8156.2174.768.6-79.6000111.7P271 C290 V300 C309 V311 P315 C316P271-F298 HydrophobicContact CG-CB 4.49Å; C290-F298 HydrophobicContact CB-CD1 3.82Å; C290-F298 HydrophobicContact CB-CD2 4.07Å; C290-F298 HydrophobicContact CB-CE1 3.33Å; C290-F298 HydrophobicContact CB-CE2 3.64Å; C290-F298 HydrophobicContact CB-CG 4.17Å; C290-F298 HydrophobicContact CB-CZ 3.26Å; C290-F298 PolarHBondContact N-O 3.38Å; C290-F298 WeakPolarHBondContact O-CD1 3.43Å; C290-F298 PolarHBondContact O-N 3.08Å; F298-V300 HydrophobicContact CD2-CG2 3.73Å; F298-V300 HydrophobicContact CE2-CG2 3.39Å; F298-V300 HydrophobicContact CZ-CG2 4.44Å; F298-C309 HydrophobicContact CZ-CB 4.49Å; F298-V311 HydrophobicContact CE2-CG2 4.04Å; F298-P315 HydrophobicContact CB-CB 4.5Å; F298-P315 HydrophobicContact CB-CG 3.47Å; F298-P315 VanDerWaalsContact CB-CG 3.47Å; F298-P315 HydrophobicContact CD1-CG 3.91Å; F298-P315 HydrophobicContact CD2-CG 3.51Å; F298-P315 HydrophobicContact CE1-CG 4.49Å; F298-P315 HydrophobicContact CE2-CG 4.12Å; F298-P315 HydrophobicContact CG-CG 3.36Å; F298-C316 WeakPolarHBondContact CE1-SG 3.32Å
299K79Confident77.5Confident38 Ų3867.4 Ų67.417%0.16540%0.4CS..EExtended strand (participates in β ladder)trans-104.7137178.868.2-175.2178.3-170.30111.2P267 P271 S272 S273 Y287 K288P267-K299 PolarHBondContact O-NZ 2.96Å; P271-K299 PolarHBondContact O-N 3.47Å; P271-K299 VanDerWaalsContact O-N 3.16Å; S272-K299 VanDerWaalsContact CB-CE 3.47Å; S272-K299 WeakPolarHBondContact OG-CE 3.27Å; S273-K299 PolarHBondContact N-O 3.36Å; Y287-K299 HydrophobicContact CD1-CB 4.41Å; Y287-K299 HydrophobicContact CD1-CD 4.37Å; Y287-K299 HydrophobicContact CD1-CG 4.39Å; K288-K299 WeakPolarHBondContact O-CA 3.36Å
300V80.6Confident77.3Confident3 Ų371.4 Ų71.42%0.01842%0.416CS..EExtended strand (participates in β ladder)trans-117.6126.4175.6179.10000109Y287 K288 F298 M307 V311Y287-V300 CarbonylContact C-O 3.58Å; Y287-V300 VanDerWaalsContact CA-O 3.27Å; Y287-V300 WeakPolarHBondContact CA-O 3.31Å; K288-V300 PolarHBondContact N-O 3.36Å; K288-V300 PolarHBondContact O-N 3.33Å; F298-V300 HydrophobicContact CD2-CG2 3.73Å; F298-V300 HydrophobicContact CE2-CG2 3.39Å; F298-V300 HydrophobicContact CZ-CG2 4.44Å; V300-M307 HydrophobicContact CG1-SD 4.11Å; V300-V311 HydrophobicContact CB-CG1 4.25Å; V300-V311 HydrophobicContact CG1-CG1 3.45Å; V300-V311 VanDerWaalsContact CG1-CG1 3.45Å; V300-V311 HydrophobicContact CG2-CG1 3.75Å
301Q79.7Confident76.9Confident59 Ų5972.8 Ų72.828%0.27642%0.424SS..EExtended strand (participates in β ladder)trans-72.7126.6173.9-174.4176.75.100110.1V285 Y287 T303V285-Q301 HydrophobicContact CG1-CG 3.56Å; Y287-Q301 HydrophobicContact CD1-CB 4.03Å; Y287-Q301 HydrophobicContact CE1-CB 3.75Å; Y287-Q301 HydrophobicContact CE1-CG 4.14Å; Q301-T303 HydrophobicContact CG-CG2 4.24Å; Q301-T303 PolarHBondContact O-N 3.13Å
302V78.4Confident76.3Confident43 Ų4372.8 Ų72.826%0.26144%0.437SS..  trans-84.9103179.4-175.40000109.3R286 K288 G304R286-V302 HydrophobicContact CB-CB 4.3Å; R286-V302 WeakPolarHBondContact O-CB 3.41Å; R286-V302 PolarHBondContact O-N 3.22Å; K288-V302 HydrophobicContact CB-CG2 4.26Å; K288-V302 HydrophobicContact CD-CG2 3.95Å; K288-V302 HydrophobicContact CG-CG2 3.61Å; V302-G304 WeakPolarHBondContact CG1-O 3.46Å
303T77.5Confident75.8Confident111 Ų11177 Ų7768%0.68146%0.459SS*.  trans-99.6-4.4176.962.50000113.8Q301 M307Q301-T303 HydrophobicContact CG-CG2 4.24Å; Q301-T303 PolarHBondContact O-N 3.13Å; T303-M307 WeakPolarHBondContact OG1-CE 3.43Å
304G74.8Confident75.6Confident32 Ų3275.1 Ų75.133%0.3343%0.434SS..SBendtrans-158165.9-178.800000114.3V302V302-G304 WeakPolarHBondContact CG1-O 3.46Å
305H70.7Confident75.5Confident192 Ų19272.5 Ų72.589%0.88942%0.423SS*.THydrogen-bonded Turntrans-67.9143.1175.6-67.386.6000110.6M307H305-M307 VanDerWaalsContact C-N 3.27Å; H305-M307 PolarHBondContact O-N 2.98Å
306N74.7Confident75.5Confident168 Ų16871.4 Ų71.490%0.89841%0.408SS*.THydrogen-bonded Turntrans62.518-178.2-63.8-20.2000116.9G308N306-G308 PolarHBondContact O-N 3.23Å
307M74.2Confident74.9Confident52 Ų5271 Ų7126%0.25642%0.416SS..  trans-66.1120.9172.8-172.9177.4-73.600111.2K288 V300 T303 H305K288-M307 WeakPolarHBondContact CD-O 3.45Å; K288-M307 WeakPolarHBondContact CE-O 3.28Å; K288-M307 PolarHBondContact NZ-O 3.22Å; V300-M307 HydrophobicContact CG1-SD 4.11Å; T303-M307 WeakPolarHBondContact OG1-CE 3.43Å; H305-M307 VanDerWaalsContact C-N 3.27Å; H305-M307 PolarHBondContact O-N 2.98Å
308G76.1Confident73.6Confident39 Ų3976.4 Ų76.440%0.40245%0.445SS..  trans-88.6-165.2175.900000113N306 Q310N306-G308 PolarHBondContact O-N 3.23Å; G308-Q310 PolarHBondContact O-N 3.11Å
309C77.9Confident71.9Confident58 Ų5881.7 Ų81.739%0.39248%0.477SS..SBendtrans-82.33.9172.3-69.50000113.7C290 F298 V311C290-C309 VanDerWaalsContact CA-SG 3.6Å; C290-C309 HydrophobicContact CB-CB 3.6Å; C290-C309 WeakPolarHBondContact CB-SG 3.37Å; C290-C309 WeakPolarHBondContact SG-CA 3.47Å; C290-C309 WeakPolarHBondContact SG-CB 3.47Å; C290-C309 CovalentContact SG-SG 2.03Å; C290-C309 PolarHBondContact SG-SG 3.45Å; F298-C309 HydrophobicContact CZ-CB 4.49Å; C309-V311 PolarHBondContact O-N 3.39Å
310Q75.1Confident70Confident189 Ų18992.1 Ų92.188%0.88353%0.526SS*.  trans-84.9109.4176-65.7-147.5-32.100109.8G308G308-Q310 PolarHBondContact O-N 3.11Å
311V74.8Confident69.5Low33 Ų3396.6 Ų96.620%0.255%0.552CS.*  trans-124.3149.9-179.7-71.10000109.3F298 V300 C309 D313 N314F298-V311 HydrophobicContact CE2-CG2 4.04Å; V300-V311 HydrophobicContact CB-CG1 4.25Å; V300-V311 HydrophobicContact CG1-CG1 3.45Å; V300-V311 VanDerWaalsContact CG1-CG1 3.45Å; V300-V311 HydrophobicContact CG2-CG1 3.75Å; C309-V311 PolarHBondContact O-N 3.39Å; V311-D313 VanDerWaalsContact C-N 3.26Å; V311-D313 PolarHBondContact O-N 3.19Å; V311-N314 HydrophobicContact CG2-CB 4.35Å
312S69.3Low68.9Low130 Ų13098.5 Ų98.591%0.90957%0.566SS**SBendtrans-64.1-32.1-178.149.60000113.1
313D70.9Confident68.4Low97 Ų97101.6 Ų101.652%0.51958%0.583SS.*SBendtrans-109.178.9175.6-162.83.6000108.2S273 V311 P315S273-D313 WeakPolarHBondContact CB-O 3.36Å; V311-D313 VanDerWaalsContact C-N 3.26Å; V311-D313 PolarHBondContact O-N 3.19Å; D313-P315 VanDerWaalsContact O-CD 3.26Å; D313-P315 WeakPolarHBondContact O-CD 3.35Å
314N72.3Confident67.9Low69 Ų69101.1 Ų101.137%0.36958%0.577SS.*  trans-81.7113.8-176-169.43000110V311 C316V311-N314 HydrophobicContact CG2-CB 4.35Å; N314-C316 CarbonylContact O-C 3.53Å; N314-C316 PolarHBondContact O-N 3.05Å; N314-C316 VanDerWaalsContact OD1-CB 3.3Å; N314-C316 WeakPolarHBondContact OD1-CB 3.44Å; N314-C316 PolarHBondContact OD1-N 3.01Å; N314-C316 VanDerWaalsContact OD1-N 3.08Å; N314-C316 PolarHBondContact OD1-SG 3.21Å
315P71.8Confident67.4Low53 Ų53105.4 Ų105.434%0.34459%0.593SS.*SBendtrans-68.3-13.9176.628.8-34.8000112.4F298 D313 G317F298-P315 HydrophobicContact CB-CB 4.5Å; F298-P315 HydrophobicContact CB-CG 3.47Å; F298-P315 VanDerWaalsContact CB-CG 3.47Å; F298-P315 HydrophobicContact CD1-CG 3.91Å; F298-P315 HydrophobicContact CD2-CG 3.51Å; F298-P315 HydrophobicContact CE1-CG 4.49Å; F298-P315 HydrophobicContact CE2-CG 4.12Å; F298-P315 HydrophobicContact CG-CG 3.36Å; D313-P315 VanDerWaalsContact O-CD 3.26Å; D313-P315 WeakPolarHBondContact O-CD 3.35Å; P315-G317 PolarHBondContact O-N 2.99Å
316C70.9Confident67.2Low21 Ų2199.6 Ų99.614%0.14257%0.573CS.*SBendtrans-69.689.3160.6-39.70000107.1C292 F298 N314C292-C316 WeakPolarHBondContact CA-SG 3.23Å; C292-C316 HydrophobicContact CB-CB 3.62Å; C292-C316 WeakPolarHBondContact CB-SG 3.47Å; C292-C316 WeakPolarHBondContact SG-CA 3.36Å; C292-C316 WeakPolarHBondContact SG-CB 3.29Å; C292-C316 CovalentContact SG-SG 2Å; C292-C316 PolarHBondContact SG-SG 3.03Å; F298-C316 WeakPolarHBondContact CE1-SG 3.32Å; N314-C316 CarbonylContact O-C 3.53Å; N314-C316 PolarHBondContact O-N 3.05Å; N314-C316 VanDerWaalsContact OD1-CB 3.3Å; N314-C316 WeakPolarHBondContact OD1-CB 3.44Å; N314-C316 PolarHBondContact OD1-N 3.01Å; N314-C316 VanDerWaalsContact OD1-N 3.08Å; N314-C316 PolarHBondContact OD1-SG 3.21Å
317G63.1Low66.7Low50 Ų5094.7 Ų94.752%0.51555%0.55SS..  trans-47.2148.9178.400000111.1P315 T319P315-G317 PolarHBondContact O-N 2.99Å; G317-T319 VanDerWaalsContact C-N 3.34Å; G317-T319 PolarHBondContact O-N 3.32Å
318N53.8Low66.1Low164 Ų16498 Ų9888%0.87757%0.572SS**  trans-49.795.7-178.3-80.1-13.7000110.8H320N318-H320 PolarHBondContact O-N 3.28Å
319T45.5Very low65.3Low114 Ų114102.9 Ų102.970%0.69959%0.587SS**  trans-73.6105.2166.149.20000105.8G317G317-T319 VanDerWaalsContact C-N 3.34Å; G317-T319 PolarHBondContact O-N 3.32Å
320H37.9Very low64.1Low257 Ų257107 Ų107100%1.1960%0.604SS**  trans-57.60161.9-94.5-77.4000111N318N318-H320 PolarHBondContact O-N 3.28Å

Retrieved 320 of 320 residues in 283 ms (Link to these results)