G4VRC6_SCHMA Loading...

Small ribosomal subunit protein uS12

AlphaFold DB , UniProt , Accession G4VRC6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 145 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
1M51.1Low81.2Confident220 Ų220114.3 Ų114.3100%1.08469%0.688SS**  0131.50-66.3-72.1-171.900107.9A3M1-A3 PolarHBondContact O-N 2.7Å
2P53.9Low82.3Confident98 Ų98110.5 Ų110.564%0.63668%0.678SS**  trans-65.7119.7179.426.4-30.6000109.3G4P2-G4 PolarHBondContact O-N 3.38Å
3A68.3Low83.3Confident114 Ų114116.6 Ų116.694%0.94268%0.681SS**THydrogen-bonded Turntrans-60.4106.617700000109M1M1-A3 PolarHBondContact O-N 2.7Å
4G82.2Confident84.1Confident80 Ų80118.8 Ų118.883%0.82568%0.678SS**THydrogen-bonded Turntrans150.1-17.6179.500000115.1P2P2-G4 PolarHBondContact O-N 3.38Å
5K87.4Confident84.7Confident122 Ų122115.4 Ų115.453%0.5366%0.657SS.*SBendtrans-105.3136.5172.6-65.9179.5-174.2171.10110.6L15K5-L15 HydrophobicContact CB-CD2 4.23Å
6P90.2Very high85.4Confident39 Ų39116.9 Ų116.925%0.25365%0.649SS.*  trans-65.6139.3175.129-35.1000110.7T11 K14 L15P6-T11 HydrophobicContact CB-CG2 3.96Å; P6-K14 HydrophobicContact CG-CB 4.36Å; P6-K14 HydrophobicContact CG-CD 3.96Å; P6-K14 HydrophobicContact CG-CG 4.02Å; P6-L15 HydrophobicContact CG-CD2 4.03Å; P6-L15 HydrophobicContact CG-CG 4.26Å
7S88.8Confident86Confident111 Ų111113.5 Ų113.578%0.77663%0.629SS**  trans-117.83.8-17853.90000114.1
8G90.8Very high86.5Confident39 Ų39111.8 Ų111.840%0.40262%0.615SS.*SBendtrans-73.9151.4-178.100000113.6K10 T11G8-K10 VanDerWaalsContact C-N 3.27Å; G8-K10 PolarHBondContact O-N 3.05Å; G8-K10 VanDerWaalsContact O-N 3.14Å; G8-T11 WeakPolarHBondContact O-CB 3.46Å; G8-T11 WeakPolarHBondContact O-CG2 3.49Å; G8-T11 PolarHBondContact O-N 2.92Å; G8-T11 PolarHBondContact O-OG1 3.33Å
9L91.9Very high86.9Confident185 Ų185113.5 Ų113.597%0.96961%0.611SS**THydrogen-bonded Turntrans-52.8-36.9-177-71.4165.4000114.1
10K94.8Very high87.2Confident210 Ų210115.2 Ų115.291%0.91361%0.609SS**THydrogen-bonded Turntrans-94.218.3-178.4-62.6-176.6179.4178.60114.3G8G8-K10 VanDerWaalsContact C-N 3.27Å; G8-K10 PolarHBondContact O-N 3.05Å; G8-K10 VanDerWaalsContact O-N 3.14Å
11T93.9Very high87.6Confident39 Ų39114.3 Ų114.324%0.23961%0.608CS.*  trans-100.58.6-172.667.90000115.2P6 G8 R13 K14 L15P6-T11 HydrophobicContact CB-CG2 3.96Å; G8-T11 WeakPolarHBondContact O-CB 3.46Å; G8-T11 WeakPolarHBondContact O-CG2 3.49Å; G8-T11 PolarHBondContact O-N 2.92Å; G8-T11 PolarHBondContact O-OG1 3.33Å; T11-R13 VanDerWaalsContact C-N 3.34Å; T11-R13 PolarHBondContact O-N 3.2Å; T11-K14 PolarHBondContact O-N 3.1Å; T11-K14 VanDerWaalsContact O-N 3.15Å; T11-L15 PolarHBondContact O-N 3.4Å
12A94.1Very high89.6Confident69 Ų69108.3 Ų108.357%0.5758%0.577SS**Hα-helixtrans-54.5-41-174.800000114.4K14 L15 R16A12-K14 PolarHBondContact O-N 3.38Å; A12-L15 PolarHBondContact O-N 3.08Å; A12-R16 WeakPolarHBondContact O-CB 3.47Å; A12-R16 PolarHBondContact O-N 3.03Å
13R95.6Very high91.6Very high190 Ų190108.6 Ų108.672%0.71757%0.566SS**Hα-helixtrans-58.9-48.9178.5-176.2-176.2-66-130.42.7111.5T11 L15 R16 D17T11-R13 VanDerWaalsContact C-N 3.34Å; T11-R13 PolarHBondContact O-N 3.2Å; R13-L15 VanDerWaalsContact C-N 3.34Å; R13-L15 PolarHBondContact O-N 3.4Å; R13-R16 PolarHBondContact O-N 3.47Å; R13-D17 WeakPolarHBondContact CG-OD2 3.5Å; R13-D17 VanDerWaalsContact O-CG 3.27Å; R13-D17 PolarHBondContact O-N 3.41Å
14K93.8Very high92.9Very high147 Ų147108.7 Ų108.764%0.63954%0.542SS*.Hα-helixtrans-61.9-42179.9-175.7164.2175.8173.50111.4P6 T11 A12 H18P6-K14 HydrophobicContact CG-CB 4.36Å; P6-K14 HydrophobicContact CG-CD 3.96Å; P6-K14 HydrophobicContact CG-CG 4.02Å; T11-K14 PolarHBondContact O-N 3.1Å; T11-K14 VanDerWaalsContact O-N 3.15Å; A12-K14 PolarHBondContact O-N 3.38Å; K14-H18 WeakPolarHBondContact O-CB 3.32Å; K14-H18 PolarHBondContact O-N 2.85Å
15L94.5Very high93.5Very high68 Ų68109.3 Ų109.336%0.35653%0.534SS..Hα-helixtrans-63-43.7176.1-70.5173.8000112.4K5 P6 T11 A12 R13 R19K5-L15 HydrophobicContact CB-CD2 4.23Å; P6-L15 HydrophobicContact CG-CD2 4.03Å; P6-L15 HydrophobicContact CG-CG 4.26Å; T11-L15 PolarHBondContact O-N 3.4Å; A12-L15 PolarHBondContact O-N 3.08Å; R13-L15 VanDerWaalsContact C-N 3.34Å; R13-L15 PolarHBondContact O-N 3.4Å; L15-R19 PolarHBondContact O-N 2.96Å
16R95.6Very high93.9Very high140 Ų140107.4 Ų107.453%0.52853%0.529SS..Hα-helixtrans-62.8-50.1177.9-175.1-168.671.1-177.4-0.9111.8A12 R13 H18 R19 R20A12-R16 WeakPolarHBondContact O-CB 3.47Å; A12-R16 PolarHBondContact O-N 3.03Å; R13-R16 PolarHBondContact O-N 3.47Å; R16-H18 VanDerWaalsContact C-N 3.35Å; R16-R19 PolarHBondContact O-N 3.24Å; R16-R20 WeakPolarHBondContact O-CB 3.4Å; R16-R20 PolarHBondContact O-N 2.9Å
17D95.6Very high94Very high58 Ų58114.3 Ų114.331%0.3156%0.555SS.*Hα-helixtrans-68.7-38.4-175.7-61.7-16.5000110.2R13 R19 R20 T21R13-D17 WeakPolarHBondContact CG-OD2 3.5Å; R13-D17 VanDerWaalsContact O-CG 3.27Å; R13-D17 PolarHBondContact O-N 3.41Å; D17-R19 PolarHBondContact O-N 2.96Å; D17-R20 WeakPolarHBondContact O-CB 3.27Å; D17-R20 PolarHBondContact O-N 2.86Å; D17-T21 PolarHBondContact O-N 3.03Å; D17-T21 PolarHBondContact O-OG1 2.9Å
18H93.7Very high94.2Very high83 Ų83112.3 Ų112.338%0.38455%0.545SS..Hα-helixtrans-58.3-48.2170.7179.983.6000112K14 R16 R20 T21 Q22K14-H18 WeakPolarHBondContact O-CB 3.32Å; K14-H18 PolarHBondContact O-N 2.85Å; R16-H18 VanDerWaalsContact C-N 3.35Å; H18-R20 VanDerWaalsContact C-N 3.31Å; H18-R20 PolarHBondContact O-N 3.11Å; H18-T21 PolarHBondContact O-N 3.49Å; H18-Q22 WeakPolarHBondContact O-CB 3.19Å; H18-Q22 VanDerWaalsContact O-CG 3.28Å; H18-Q22 WeakPolarHBondContact O-CG 3.24Å; H18-Q22 PolarHBondContact O-N 2.98Å
19R94.1Very high94.4Very high144 Ų144112.7 Ų112.754%0.54354%0.535SS..Hα-helixtrans-62.4-38.8177-178.856.4171.7149.7-2.9111.6L15 R16 D17 Q22 R23L15-R19 PolarHBondContact O-N 2.96Å; R16-R19 PolarHBondContact O-N 3.24Å; D17-R19 PolarHBondContact O-N 2.96Å; R19-Q22 PolarHBondContact O-N 3.06Å; R19-R23 WeakPolarHBondContact O-CB 3.47Å; R19-R23 PolarHBondContact O-N 3.37Å
20R94.7Very high94.5Very high148 Ų148109 Ų10956%0.55851%0.511SS*.Hα-helixtrans-60-48.2177.2-177.2-177.5-73-168.4-4.2111.1R16 D17 H18 R23 W24R16-R20 WeakPolarHBondContact O-CB 3.4Å; R16-R20 PolarHBondContact O-N 2.9Å; D17-R20 WeakPolarHBondContact O-CB 3.27Å; D17-R20 PolarHBondContact O-N 2.86Å; H18-R20 VanDerWaalsContact C-N 3.31Å; H18-R20 PolarHBondContact O-N 3.11Å; R20-R23 PolarHBondContact O-N 3.47Å; R20-W24 VanDerWaalsContact O-CD1 3.28Å
21T94.9Very high94.3Very high97 Ų97104.1 Ų104.160%0.59549%0.49SS*.Hα-helixtrans-65.1-46.9177.7-54.50000111.4D17 H18 R23 W24D17-T21 PolarHBondContact O-N 3.03Å; D17-T21 PolarHBondContact O-OG1 2.9Å; H18-T21 PolarHBondContact O-N 3.49Å; T21-R23 PolarHBondContact O-N 3.46Å; T21-W24 WeakPolarHBondContact O-CB 3.45Å; T21-W24 PolarHBondContact O-N 3.31Å; T21-W24 VanDerWaalsContact O-N 3.14Å
22Q93.9Very high94.1Very high94 Ų94105.1 Ų105.144%0.43950%0.502SS..Hα-helixtrans-63.5-27.4179.7-71.4-62.4-24.500113.3H18 R19 W24 S25H18-Q22 WeakPolarHBondContact O-CB 3.19Å; H18-Q22 VanDerWaalsContact O-CG 3.28Å; H18-Q22 WeakPolarHBondContact O-CG 3.24Å; H18-Q22 PolarHBondContact O-N 2.98Å; R19-Q22 PolarHBondContact O-N 3.06Å; Q22-W24 PolarHBondContact O-N 3.01Å; Q22-S25 WeakPolarHBondContact O-CB 3.1Å; Q22-S25 PolarHBondContact O-N 2.78Å; Q22-S25 VanDerWaalsContact O-N 3.15Å
23R95.3Very high94Very high104 Ų104106.7 Ų106.739%0.39250%0.498SS..Hα-helixtrans-63.2-26.7177.9-147.7-173.7-86.7-176.5-12112.2R19 R20 T21 S25 D26 Y29R19-R23 WeakPolarHBondContact O-CB 3.47Å; R19-R23 PolarHBondContact O-N 3.37Å; R20-R23 PolarHBondContact O-N 3.47Å; T21-R23 PolarHBondContact O-N 3.46Å; R23-S25 VanDerWaalsContact C-N 3.27Å; R23-S25 PolarHBondContact O-N 3.1Å; R23-D26 WeakPolarHBondContact O-CB 2.9Å; R23-D26 PolarHBondContact O-N 2.78Å; R23-Y29 HydrophobicContact CB-CD1 4.09Å; R23-Y29 HydrophobicContact CB-CE1 4.13Å; R23-Y29 HydrophobicContact CB-CG 4.36Å; R23-Y29 VanDerWaalsContact CD-CZ 3.44Å; R23-Y29 HydrophobicContact CG-CD1 3.86Å; R23-Y29 HydrophobicContact CG-CD2 3.68Å; R23-Y29 HydrophobicContact CG-CE1 4.11Å; R23-Y29 HydrophobicContact CG-CE2 3.93Å; R23-Y29 HydrophobicContact CG-CG 3.62Å; R23-Y29 WeakPolarHBondContact O-CB 3.31Å; R23-Y29 VanDerWaalsContact O-CD1 3.25Å; R23-Y29 WeakPolarHBondContact O-CD1 3.35Å
24W95.4Very high93.7Very high116 Ų116101.7 Ų101.744%0.43948%0.484SS..THydrogen-bonded Turntrans-71.5-18.7177.3-71.2104.2000114.2R20 T21 Q22 D26 Y29 H33 I34R20-W24 VanDerWaalsContact O-CD1 3.28Å; T21-W24 WeakPolarHBondContact O-CB 3.45Å; T21-W24 PolarHBondContact O-N 3.31Å; T21-W24 VanDerWaalsContact O-N 3.14Å; Q22-W24 PolarHBondContact O-N 3.01Å; W24-D26 VanDerWaalsContact C-N 3.29Å; W24-Y29 HydrophobicContact CD2-CD1 4.35Å; W24-Y29 AromaticContact CD2-CE1 4Å; W24-Y29 HydrophobicContact CD2-CE1 4Å; W24-Y29 AromaticContact CE2-CE1 4Å; W24-Y29 HydrophobicContact CE3-CD1 4.32Å; W24-Y29 HydrophobicContact CE3-CE1 4.24Å; W24-Y29 HydrophobicContact CG-CE1 4.46Å; W24-Y29 HydrophobicContact CZ2-CE1 4.27Å; W24-Y29 HydrophobicContact CZ3-CE1 4.49Å; W24-H33 HydrophobicContact CH2-CB 3.73Å; W24-H33 HydrophobicContact CZ3-CB 3.88Å; W24-I34 HydrophobicContact CZ3-CG1 4.26Å
25S94.4Very high93.4Very high93 Ų9395 Ų9565%0.6546%0.456SS*.THydrogen-bonded Turntrans-74-21.5172-56.40000112.4Q22 R23 K27Q22-S25 WeakPolarHBondContact O-CB 3.1Å; Q22-S25 PolarHBondContact O-N 2.78Å; Q22-S25 VanDerWaalsContact O-N 3.15Å; R23-S25 VanDerWaalsContact C-N 3.27Å; R23-S25 PolarHBondContact O-N 3.1Å; S25-K27 PolarHBondContact O-N 2.69Å
26D95.1Very high93.1Very high82 Ų8294.9 Ų94.944%0.43946%0.459SS..SBendtrans-72.1116.7172.6-177.9-20.7000109.9R23 W24 A28 Y29 K30R23-D26 WeakPolarHBondContact O-CB 2.9Å; R23-D26 PolarHBondContact O-N 2.78Å; W24-D26 VanDerWaalsContact C-N 3.29Å; D26-A28 VanDerWaalsContact C-N 3.27Å; D26-A28 PolarHBondContact O-N 3.34Å; D26-A28 WeakPolarHBondContact OD1-CB 3.4Å; D26-A28 PolarHBondContact OD1-N 3.49Å; D26-Y29 PolarHBondContact O-N 3.36Å; D26-Y29 PolarHBondContact OD1-N 2.9Å; D26-K30 VanDerWaalsContact O-CB 3.31Å; D26-K30 WeakPolarHBondContact O-CB 3.45Å; D26-K30 PolarHBondContact O-N 2.76Å
27K93.1Very high92.5Very high184 Ų18495.2 Ų95.280%0.846%0.46SS*.Hα-helixtrans-58.9-36.3-179.6-66.1178.6-178.6174.40112.6S25 K31S25-K27 PolarHBondContact O-N 2.69Å; K27-K31 VanDerWaalsContact O-CB 3.23Å; K27-K31 WeakPolarHBondContact O-CB 3.34Å; K27-K31 PolarHBondContact O-N 2.75Å
28A93Very high92.1Very high69 Ų6999.5 Ų99.557%0.5747%0.472SS*.Hα-helixtrans-69.2-46.9179.600000110.6D26 K31 A32D26-A28 VanDerWaalsContact C-N 3.27Å; D26-A28 PolarHBondContact O-N 3.34Å; D26-A28 WeakPolarHBondContact OD1-CB 3.4Å; D26-A28 PolarHBondContact OD1-N 3.49Å; A28-K31 PolarHBondContact O-N 3.42Å; A28-A32 WeakPolarHBondContact O-CB 3.47Å; A28-A32 PolarHBondContact O-N 2.88Å
29Y94.7Very high91.8Very high46 Ų46103.9 Ų103.918%0.1849%0.49CS..Hα-helixtrans-59.7-49.4175.2-175.4-97.7000111.2R23 W24 D26 K31 A32 H33R23-Y29 HydrophobicContact CB-CD1 4.09Å; R23-Y29 HydrophobicContact CB-CE1 4.13Å; R23-Y29 HydrophobicContact CB-CG 4.36Å; R23-Y29 VanDerWaalsContact CD-CZ 3.44Å; R23-Y29 HydrophobicContact CG-CD1 3.86Å; R23-Y29 HydrophobicContact CG-CD2 3.68Å; R23-Y29 HydrophobicContact CG-CE1 4.11Å; R23-Y29 HydrophobicContact CG-CE2 3.93Å; R23-Y29 HydrophobicContact CG-CG 3.62Å; R23-Y29 WeakPolarHBondContact O-CB 3.31Å; R23-Y29 VanDerWaalsContact O-CD1 3.25Å; R23-Y29 WeakPolarHBondContact O-CD1 3.35Å; W24-Y29 HydrophobicContact CD2-CD1 4.35Å; W24-Y29 AromaticContact CD2-CE1 4Å; W24-Y29 HydrophobicContact CD2-CE1 4Å; W24-Y29 AromaticContact CE2-CE1 4Å; W24-Y29 HydrophobicContact CE3-CD1 4.32Å; W24-Y29 HydrophobicContact CE3-CE1 4.24Å; W24-Y29 HydrophobicContact CG-CE1 4.46Å; W24-Y29 HydrophobicContact CZ2-CE1 4.27Å; W24-Y29 HydrophobicContact CZ3-CE1 4.49Å; D26-Y29 PolarHBondContact O-N 3.36Å; D26-Y29 PolarHBondContact OD1-N 2.9Å; Y29-K31 PolarHBondContact O-N 3.5Å; Y29-A32 PolarHBondContact O-N 3.09Å; Y29-H33 AromaticContact CD1-ND1 3.98Å; Y29-H33 AromaticContact CD2-CE1 3.32Å; Y29-H33 WeakPolarHBondContact CD2-CE1 3.42Å; Y29-H33 AromaticContact CD2-ND1 3.56Å; Y29-H33 AromaticContact CE1-ND1 3.9Å; Y29-H33 AromaticContact CE2-CE1 2.99Å; Y29-H33 WeakPolarHBondContact CE2-CE1 3.36Å; Y29-H33 AromaticContact CE2-ND1 3.49Å; Y29-H33 WeakPolarHBondContact CE2-ND1 3.41Å; Y29-H33 AromaticContact CE2-NE2 3.41Å; Y29-H33 WeakPolarHBondContact CE2-NE2 3.46Å; Y29-H33 AromaticContact CG-ND1 3.83Å; Y29-H33 AromaticContact CZ-CD2 3.88Å; Y29-H33 AromaticContact CZ-CE1 3.5Å; Y29-H33 VanDerWaalsContact CZ-CE1 3.5Å; Y29-H33 AromaticContact CZ-CG 3.93Å; Y29-H33 AromaticContact CZ-ND1 3.67Å; Y29-H33 AromaticContact CZ-NE2 3.59Å; Y29-H33 PolarHBondContact O-N 3.46Å; Y29-H33 VanDerWaalsContact O-N 3.07Å; Y29-H33 PolarHBondContact O-ND1 2.9Å
30K94.3Very high91.7Very high107 Ų107100 Ų10047%0.46549%0.489SS..Hα-helixtrans-56.8-47.9178.1-173.3173.5-175.71750111.8D26 A32 H33 I34D26-K30 VanDerWaalsContact O-CB 3.31Å; D26-K30 WeakPolarHBondContact O-CB 3.45Å; D26-K30 PolarHBondContact O-N 2.76Å; K30-A32 VanDerWaalsContact C-N 3.3Å; K30-A32 PolarHBondContact O-N 2.85Å; K30-H33 PolarHBondContact O-N 2.87Å; K30-I34 HydrophobicContact CD-CD1 4Å; K30-I34 VanDerWaalsContact CE-CD1 3.41Å; K30-I34 HydrophobicContact CG-CD1 3.35Å; K30-I34 HydrophobicContact CG-CG1 4.06Å; K30-I34 WeakPolarHBondContact O-CB 3.45Å; K30-I34 VanDerWaalsContact O-CG1 3.31Å; K30-I34 WeakPolarHBondContact O-CG1 3.46Å; K30-I34 PolarHBondContact O-N 3.23Å
31K90Very high91.5Very high108 Ų10895 Ų9547%0.4747%0.473SS..Hα-helixtrans-64.4-33.3179.8-172.2174-177.6176.70112.9K27 A28 Y29K27-K31 VanDerWaalsContact O-CB 3.23Å; K27-K31 WeakPolarHBondContact O-CB 3.34Å; K27-K31 PolarHBondContact O-N 2.75Å; A28-K31 PolarHBondContact O-N 3.42Å; Y29-K31 PolarHBondContact O-N 3.5Å
32A90.4Very high91.5Very high60 Ų6091 Ų9150%0.49645%0.449SS..Hα-helixtrans-71.4-37.6176.700000112.5A28 Y29 K30A28-A32 WeakPolarHBondContact O-CB 3.47Å; A28-A32 PolarHBondContact O-N 2.88Å; Y29-A32 PolarHBondContact O-N 3.09Å; K30-A32 VanDerWaalsContact C-N 3.3Å; K30-A32 PolarHBondContact O-N 2.85Å
33H92.1Very high91.5Very high103 Ų10386.7 Ų86.748%0.47743%0.429SS..Hα-helixtrans-94.1-26.9-172.4-66.473.4000114.3W24 Y29 K30 G35W24-H33 HydrophobicContact CH2-CB 3.73Å; W24-H33 HydrophobicContact CZ3-CB 3.88Å; Y29-H33 AromaticContact CD1-ND1 3.98Å; Y29-H33 AromaticContact CD2-CE1 3.32Å; Y29-H33 WeakPolarHBondContact CD2-CE1 3.42Å; Y29-H33 AromaticContact CD2-ND1 3.56Å; Y29-H33 AromaticContact CE1-ND1 3.9Å; Y29-H33 AromaticContact CE2-CE1 2.99Å; Y29-H33 WeakPolarHBondContact CE2-CE1 3.36Å; Y29-H33 AromaticContact CE2-ND1 3.49Å; Y29-H33 WeakPolarHBondContact CE2-ND1 3.41Å; Y29-H33 AromaticContact CE2-NE2 3.41Å; Y29-H33 WeakPolarHBondContact CE2-NE2 3.46Å; Y29-H33 AromaticContact CG-ND1 3.83Å; Y29-H33 AromaticContact CZ-CD2 3.88Å; Y29-H33 AromaticContact CZ-CE1 3.5Å; Y29-H33 VanDerWaalsContact CZ-CE1 3.5Å; Y29-H33 AromaticContact CZ-CG 3.93Å; Y29-H33 AromaticContact CZ-ND1 3.67Å; Y29-H33 AromaticContact CZ-NE2 3.59Å; Y29-H33 PolarHBondContact O-N 3.46Å; Y29-H33 VanDerWaalsContact O-N 3.07Å; Y29-H33 PolarHBondContact O-ND1 2.9Å; K30-H33 PolarHBondContact O-N 2.87Å; H33-G35 PolarHBondContact O-N 2.91Å
34I90.2Very high91.4Very high84 Ų8487.9 Ų87.943%0.43144%0.437SS..SBendtrans-71.6-21.2177.2-69.3-176.9000112.1W24 K30 T36W24-I34 HydrophobicContact CZ3-CG1 4.26Å; K30-I34 HydrophobicContact CD-CD1 4Å; K30-I34 VanDerWaalsContact CE-CD1 3.41Å; K30-I34 HydrophobicContact CG-CD1 3.35Å; K30-I34 HydrophobicContact CG-CG1 4.06Å; K30-I34 WeakPolarHBondContact O-CB 3.45Å; K30-I34 VanDerWaalsContact O-CG1 3.31Å; K30-I34 WeakPolarHBondContact O-CG1 3.46Å; K30-I34 PolarHBondContact O-N 3.23Å; I34-T36 VanDerWaalsContact C-N 3.26Å; I34-T36 VanDerWaalsContact CG2-OG1 3.22Å; I34-T36 WeakPolarHBondContact CG2-OG1 3.44Å; I34-T36 PolarHBondContact O-N 2.83Å
35G87.6Confident91.1Very high6 Ų683.3 Ų83.36%0.06243%0.425CS..  trans73.214.4-178.700000115.3H33 R37 W38 K39H33-G35 PolarHBondContact O-N 2.91Å; G35-R37 PolarHBondContact O-N 3.15Å; G35-R37 VanDerWaalsContact O-N 3.08Å; G35-W38 PolarHBondContact O-N 3.49Å; G35-K39 PolarHBondContact O-N 3.28Å
36T86.3Confident91.1Very high66 Ų6681.2 Ų81.241%0.40541%0.414SS..Hα-helixtrans-53.5-30172-42.70000111.9I34 W38 K39 A40I34-T36 VanDerWaalsContact C-N 3.26Å; I34-T36 VanDerWaalsContact CG2-OG1 3.22Å; I34-T36 WeakPolarHBondContact CG2-OG1 3.44Å; I34-T36 PolarHBondContact O-N 2.83Å; T36-W38 PolarHBondContact O-N 2.96Å; T36-K39 PolarHBondContact O-N 2.93Å; T36-A40 HydrophobicContact CG2-CB 3.74Å; T36-A40 WeakPolarHBondContact O-CB 3.32Å; T36-A40 PolarHBondContact O-N 2.92Å
37R84.3Confident91.1Very high147 Ų14781.5 Ų81.556%0.55542%0.422SS*.Hα-helixtrans-55.9-34.5176.5-179.9178.6175174.7-2.4113G35 N41 G45G35-R37 PolarHBondContact O-N 3.15Å; G35-R37 VanDerWaalsContact O-N 3.08Å; R37-N41 WeakPolarHBondContact O-CB 3.27Å; R37-G45 PolarHBondContact NH2-O 2.81Å
38W86.8Confident91.3Very high149 Ų14976.8 Ų76.856%0.56440%0.403SS*.Hα-helixtrans-93.8-39.4-177.9-52.5-72.4000112G35 T36G35-W38 PolarHBondContact O-N 3.49Å; T36-W38 PolarHBondContact O-N 2.96Å
39K87.7Confident91.5Very high175 Ų17573.8 Ų73.876%0.76138%0.378SS*.Hα-helixtrans-74-50.5-177-64-175.9178.5-177.80112.8G35 T36G35-K39 PolarHBondContact O-N 3.28Å; T36-K39 PolarHBondContact O-N 2.93Å
40A90.9Very high91.6Very high63 Ų6376.7 Ų76.752%0.52139%0.392SS..THydrogen-bonded Turntrans-88.6-26.7-171.500000113.4T36T36-A40 HydrophobicContact CG2-CB 3.74Å; T36-A40 WeakPolarHBondContact O-CB 3.32Å; T36-A40 PolarHBondContact O-N 2.92Å
41N92.2Very high91.8Very high41 Ų4171.6 Ų71.622%0.21937%0.37CS..  trans-70.4125.3-178.7-173.1-10000110.3R37 F43 K44R37-N41 WeakPolarHBondContact O-CB 3.27Å; N41-F43 PolarHBondContact O-N 2.88Å; N41-F43 VanDerWaalsContact O-N 3.13Å; N41-F43 PolarHBondContact OD1-N 3.09Å; N41-K44 PolarHBondContact O-N 3.28Å
42P94.2Very high92.2Very high13 Ų1368 Ų688%0.08436%0.357CS..THydrogen-bonded Turntrans-58.8-26.2174.125-35000112.2K44 L76 K78 N79 K81 I83 F122P42-K44 VanDerWaalsContact C-N 3.34Å; P42-L76 HydrophobicContact CB-CD1 3.93Å; P42-L76 WeakPolarHBondContact O-CD1 3.45Å; P42-K78 VanDerWaalsContact O-CE 3.31Å; P42-K78 WeakPolarHBondContact O-CE 3.47Å; P42-N79 PolarHBondContact O-ND2 2.86Å; P42-K81 HydrophobicContact CB-CD 4.27Å; P42-I83 HydrophobicContact CB-CG2 3.88Å; P42-I83 HydrophobicContact CG-CG2 4.17Å; P42-F122 HydrophobicContact CG-CE1 4.36Å; P42-F122 HydrophobicContact CG-CE2 3.85Å; P42-F122 HydrophobicContact CG-CZ 3.39Å
43F94.5Very high92.5Very high5 Ų565.1 Ų65.12%0.02233%0.333CS..THydrogen-bonded Turntrans-850.9176.7-72.211.3000114.1N41 G45 A46 A49 L76 K78 I83 V104 F122N41-F43 PolarHBondContact O-N 2.88Å; N41-F43 VanDerWaalsContact O-N 3.13Å; N41-F43 PolarHBondContact OD1-N 3.09Å; F43-G45 PolarHBondContact O-N 2.83Å; F43-A46 WeakPolarHBondContact CB-O 3.45Å; F43-A46 WeakPolarHBondContact O-CB 3.45Å; F43-A46 PolarHBondContact O-N 2.85Å; F43-A49 HydrophobicContact CD1-CB 3.7Å; F43-A49 HydrophobicContact CD2-CB 4.46Å; F43-A49 HydrophobicContact CE1-CB 3.58Å; F43-A49 HydrophobicContact CE2-CB 4.35Å; F43-A49 HydrophobicContact CG-CB 4.16Å; F43-A49 HydrophobicContact CZ-CB 3.92Å; F43-L76 HydrophobicContact CD1-CD1 3.91Å; F43-L76 HydrophobicContact CE1-CD1 4.03Å; F43-L76 HydrophobicContact CE1-CD2 4.13Å; F43-K78 VanDerWaalsContact CA-NZ 3.28Å; F43-K78 PolarHBondContact O-NZ 3.07Å; F43-I83 HydrophobicContact CE1-CD1 3.94Å; F43-V104 HydrophobicContact CZ-CB 4.01Å; F43-V104 HydrophobicContact CZ-CG1 3.86Å; F43-F122 HydrophobicContact CD1-CE1 4.15Å; F43-F122 HydrophobicContact CD2-CE1 4.3Å; F43-F122 AromaticContact CE1-CD1 3.96Å; F43-F122 HydrophobicContact CE1-CD1 3.96Å; F43-F122 AromaticContact CE1-CE1 3.84Å; F43-F122 HydrophobicContact CE1-CE1 3.84Å; F43-F122 HydrophobicContact CE1-CZ 4.43Å; F43-F122 AromaticContact CE2-CD1 3.95Å; F43-F122 HydrophobicContact CE2-CD1 3.95Å; F43-F122 HydrophobicContact CE2-CE1 4.01Å; F43-F122 HydrophobicContact CG-CE1 4.37Å; F43-F122 AromaticContact CZ-CD1 3.54Å; F43-F122 HydrophobicContact CZ-CD1 3.54Å; F43-F122 AromaticContact CZ-CE1 3.77Å; F43-F122 HydrophobicContact CZ-CE1 3.77Å; F43-F122 HydrophobicContact CZ-CG 4.37Å
44K92.2Very high92.8Very high128 Ų12862.7 Ų62.756%0.55732%0.323SS*.THydrogen-bonded Turntrans48.331.5-177.5-64.4-171.1173.8-177.80113.7N41 P42N41-K44 PolarHBondContact O-N 3.28Å; P42-K44 VanDerWaalsContact C-N 3.34Å
45G90.1Very high93.1Very high20 Ų2061.6 Ų61.621%0.20632%0.316CS..THydrogen-bonded Turntrans94-10.1178.600000116.5R37 F43R37-G45 PolarHBondContact NH2-O 2.81Å; F43-G45 PolarHBondContact O-N 2.83Å
46A94.1Very high93.6Very high49 Ų4965.6 Ų65.641%0.40533%0.332SS..  trans-70.8157174.700000112.6F43F43-A46 WeakPolarHBondContact CB-O 3.45Å; F43-A46 WeakPolarHBondContact O-CB 3.45Å; F43-A46 PolarHBondContact O-N 2.85Å
47S94.7Very high94.1Very high89 Ų8964.2 Ų64.262%0.62232%0.323SS*.SBendtrans-76.8-37.5177.255.90000112.7
48H96.7Very high94.7Very high84 Ų8459.5 Ų59.539%0.38932%0.321SS..EExtended strand (participates in β ladder)trans-129160.7-178.5-59.679.3000111L103 V104 S105H48-L103 HydrophobicContact CB-CD1 4.08Å; H48-L103 HydrophobicContact CB-CG 4.48Å; H48-V104 CarbonylContact C-O 3.41Å; H48-V104 VanDerWaalsContact CA-O 3.26Å; H48-V104 WeakPolarHBondContact CA-O 3.43Å; H48-S105 WeakPolarHBondContact CD2-CB 3.28Å
49A96.9Very high95.2Very high6 Ų653.6 Ų53.65%0.0530%0.301CS..EExtended strand (participates in β ladder)trans-145.3142.7170.700000110.7F43 L76 V104F43-A49 HydrophobicContact CD1-CB 3.7Å; F43-A49 HydrophobicContact CD2-CB 4.46Å; F43-A49 HydrophobicContact CE1-CB 3.58Å; F43-A49 HydrophobicContact CE2-CB 4.35Å; F43-A49 HydrophobicContact CG-CB 4.16Å; F43-A49 HydrophobicContact CZ-CB 3.92Å; A49-L76 HydrophobicContact CB-CD1 4.49Å; A49-L76 HydrophobicContact CB-CD2 3.74Å; A49-V104 PolarHBondContact N-O 3.45Å; A49-V104 PolarHBondContact O-N 3.01Å
50K97.7Very high95.6Very high108 Ų10852.5 Ų52.547%0.4730%0.299SS..EExtended strand (participates in β ladder)trans-81.4143.5168.1-168.5-172.2-91.7-1580109.5L77 E101 V102K50-L77 HydrophobicContact CB-CD1 4.29Å; K50-L77 HydrophobicContact CD-CD1 3.49Å; K50-L77 VanDerWaalsContact CD-CD1 3.49Å; K50-L77 HydrophobicContact CG-CD1 3.78Å; K50-L77 PolarHBondContact O-N 2.87Å; K50-E101 WeakPolarHBondContact CE-OE2 3.41Å; K50-E101 IonicContact NZ-OE1 2.69Å; K50-E101 IonicContact NZ-OE2 3.47Å; K50-E101 PolarHBondContact NZ-OE2 2.83Å; K50-V102 WeakPolarHBondContact CA-O 3.28Å
51G97.7Very high96Very high0 Ų050.1 Ų50.10%028%0.279CS..EExtended strand (participates in β ladder)trans-153.4171.917400000112.1Q75 V102G51-Q75 CarbonylContact C-O 3.55Å; G51-Q75 WeakPolarHBondContact CA-O 3.42Å; G51-V102 PolarHBondContact N-O 2.96Å; G51-V102 WeakPolarHBondContact O-CG2 3.32Å; G51-V102 PolarHBondContact O-N 3.5Å
52V98Very high96.2Very high32 Ų3253.1 Ų53.119%0.19429%0.29CS..EExtended strand (participates in β ladder)trans-109.7138.1178.1177.50000108.9V74 Q75 L77 D100V52-V74 CarbonylContact O-C 3.6Å; V52-V74 WeakPolarHBondContact O-CA 3.38Å; V52-Q75 PolarHBondContact N-O 2.96Å; V52-Q75 PolarHBondContact O-N 3.1Å; V52-L77 HydrophobicContact CG2-CD2 3.73Å; V52-L77 HydrophobicContact CG2-CG 4.26Å; V52-D100 WeakPolarHBondContact CA-O 3.47Å
53V98Very high96.2Very high0 Ų060.3 Ų60.30%032%0.322CS..EExtended strand (participates in β ladder)trans-73.7129.9176.91740000110.4V72 I96 E97 N99 D100 V102V53-V72 HydrophobicContact CB-CG1 4Å; V53-V72 HydrophobicContact CG1-CG1 3.24Å; V53-V72 HydrophobicContact CG2-CG1 3.73Å; V53-I96 HydrophobicContact CG1-CG2 4.29Å; V53-I96 HydrophobicContact CG2-CG2 3.78Å; V53-E97 WeakPolarHBondContact CB-O 3.43Å; V53-E97 WeakPolarHBondContact CG1-O 3.45Å; V53-N99 WeakPolarHBondContact O-CA 3.42Å; V53-N99 PolarHBondContact O-N 3.25Å; V53-D100 HydrophobicContact CG2-CB 4.41Å; V53-D100 PolarHBondContact N-O 3.01Å; V53-V102 HydrophobicContact CG2-CB 4.49Å; V53-V102 HydrophobicContact CG2-CG1 3.61Å; V53-V102 HydrophobicContact CG2-CG2 4.02Å
54L97.9Very high96.3Very high51 Ų5165.8 Ų65.827%0.26736%0.358SS..EExtended strand (participates in β ladder)trans-96.6-50.4174.3-60.7178.7000111.6R73 Q75 K82L54-R73 HydrophobicContact CB-CB 4.43Å; L54-R73 PolarHBondContact N-O 2.92Å; L54-Q75 HydrophobicContact CD1-CB 4.14Å; L54-Q75 HydrophobicContact CD2-CB 4.19Å; L54-Q75 HydrophobicContact CG-CB 4.18Å; L54-K82 HydrophobicContact CD1-CD 3.88Å; L54-K82 HydrophobicContact CD1-CG 4.02Å
55E97.3Very high96.5Very high61 Ų6163.2 Ų63.229%0.28535%0.351SS..EExtended strand (participates in β ladder)trans-158.5159.9-177.164.6176.7-148.500111.3V57 V72 R73E55-V57 HydrophobicContact CG-CG2 3.84Å; E55-V57 VanDerWaalsContact OE1-CG2 3.29Å; E55-V57 WeakPolarHBondContact OE1-CG2 3.38Å; E55-V72 WeakPolarHBondContact O-CA 3.38Å; E55-V72 WeakPolarHBondContact O-CG1 3.26Å; E55-R73 HydrophobicContact CG-CB 3.64Å; E55-R73 PolarHBondContact O-N 3.21Å; E55-R73 WeakPolarHBondContact OE1-CD 3.49Å; E55-R73 IonicContact OE1-CZ 2.86Å; E55-R73 IonicContact OE1-NE 3.6Å; E55-R73 PolarHBondContact OE1-NE 2.7Å; E55-R73 IonicContact OE1-NH1 2.65Å; E55-R73 PolarHBondContact OE1-NH1 2.98Å; E55-R73 IonicContact OE1-NH2 3.25Å; E55-R73 PolarHBondContact OE1-NH2 2.85Å; E55-R73 IonicContact OE2-CZ 3.42Å; E55-R73 VanDerWaalsContact OE2-CZ 3.25Å; E55-R73 IonicContact OE2-NE 3.5Å; E55-R73 IonicContact OE2-NH2 3.75Å; E55-R73 PolarHBondContact OE2-NH2 2.81Å
56K97.4Very high96.7Very high90 Ų9068.2 Ų68.239%0.39138%0.383SS..EExtended strand (participates in β ladder)trans-87.9133.8171.9-61.1177.8-179.7-175.30109.6L93 I96K56-L93 HydrophobicContact CB-CD1 4.39Å; K56-L93 HydrophobicContact CD-CD1 4.1Å; K56-L93 HydrophobicContact CD-CD2 4.28Å; K56-L93 HydrophobicContact CD-CG 4.06Å; K56-L93 HydrophobicContact CG-CD1 4.03Å; K56-L93 PolarHBondContact NZ-O 2.83Å; K56-I96 WeakPolarHBondContact CE-O 3.2Å; K56-I96 PolarHBondContact NZ-O 3.38Å
57V96.9Very high96.8Very high38 Ų3867.7 Ų67.723%0.2338%0.378CS..EExtended strand (participates in β ladder)trans-130.6133.7-175.3-175.40000110.7E55 V59 C71 R73E55-V57 HydrophobicContact CG-CG2 3.84Å; E55-V57 VanDerWaalsContact OE1-CG2 3.29Å; E55-V57 WeakPolarHBondContact OE1-CG2 3.38Å; V57-V59 HydrophobicContact CG1-CG2 4.32Å; V57-C71 PolarHBondContact N-O 3.04Å; V57-C71 CarbonylContact O-C 3.53Å; V57-C71 WeakPolarHBondContact O-CA 3.48Å; V57-C71 WeakPolarHBondContact O-CB 3.41Å; V57-C71 PolarHBondContact O-N 2.9Å; V57-R73 HydrophobicContact CG2-CB 4.19Å
58G96.6Very high96.9Very high48 Ų4868.4 Ų68.450%0.49537%0.374SS..EExtended strand (participates in β ladder)trans-90.1127.5165.900000110.9
59V96.9Very high96.9Very high25 Ų2568.3 Ų68.315%0.15237%0.37CS..EExtended strand (participates in β ladder)trans-113124.3173.5-179.40000108.8V57 R69 C71 I117 P118 V120V57-V59 HydrophobicContact CG1-CG2 4.32Å; V59-R69 PolarHBondContact N-O 2.84Å; V59-R69 WeakPolarHBondContact O-CB 3.18Å; V59-R69 PolarHBondContact O-N 2.87Å; V59-C71 HydrophobicContact CG2-CB 4.08Å; V59-I117 HydrophobicContact CG1-CG2 4.26Å; V59-P118 HydrophobicContact CG1-CG 3.85Å; V59-V120 HydrophobicContact CG2-CG2 4.19Å
60E97.2Very high97Very high152 Ų15273.1 Ų73.171%0.7139%0.39SS*.EExtended strand (participates in β ladder)trans-66.1140175.7-68.1-177.2170.100111.6P118E60-P118 WeakPolarHBondContact O-CD 3.41Å; E60-P118 WeakPolarHBondContact O-CG 3.23Å
61A97.7Very high97Very high13 Ų1368 Ų6811%0.10737%0.367CS..PPolyproline II helixtrans-69.3152174.400000111.2N65 A67 D116A61-N65 HydrophobicContact CB-CB 4.12Å; A61-A67 HydrophobicContact CB-CB 4.22Å; A61-A67 WeakPolarHBondContact CB-O 3.44Å; A61-A67 PolarHBondContact N-O 3Å; A61-D116 CarbonylContact C-O 3.52Å; A61-D116 WeakPolarHBondContact CA-O 3.37Å; A61-D116 HydrophobicContact CB-CB 4.31Å
62K96.6Very high97Very high103 Ų10368 Ų6845%0.44837%0.367SS..PPolyproline II helixtrans-68.7143.8169-67.2177.2-174.8178.30110.5N65 D116 P118K62-N65 PolarHBondContact O-N 2.95Å; K62-N65 VanDerWaalsContact O-N 3.1Å; K62-D116 HydrophobicContact CB-CB 4.44Å; K62-D116 WeakPolarHBondContact CG-O 3.31Å; K62-D116 PolarHBondContact N-O 3.29Å; K62-P118 HydrophobicContact CG-CB 4.26Å; K62-P118 HydrophobicContact CG-CG 4.44Å
63Q94.4Very high97Very high165 Ų16571.3 Ų71.377%0.77138%0.377SS*.THydrogen-bonded Turntrans-52.1139.9165.4-64.7-59.3-42.300110.4
64P96.6Very high97Very high120 Ų12071.3 Ų71.378%0.77938%0.377SS*.THydrogen-bonded Turncis-88.1612.636.6-38000115.2
65N97.1Very high97Very high73 Ų7372.4 Ų72.439%0.3938%0.38SS..  trans-84.9146.5-176-62.4-16.8000111.2A61 K62 D116A61-N65 HydrophobicContact CB-CB 4.12Å; K62-N65 PolarHBondContact O-N 2.95Å; K62-N65 VanDerWaalsContact O-N 3.1Å; N65-D116 PolarHBondContact ND2-OD2 3.41Å
66S95.1Very high97Very high126 Ų12669.5 Ų69.588%0.88137%0.367SS*.  trans-115.9106.5169.4-174.20000109.5
67A96.1Very high97Very high37 Ų3770 Ų7031%0.30637%0.373SS..  trans-164.7152.2176.800000111.3A61A61-A67 HydrophobicContact CB-CB 4.22Å; A61-A67 WeakPolarHBondContact CB-O 3.44Å; A61-A67 PolarHBondContact N-O 3Å
68I96.5Very high96.9Very high105 Ų10572.4 Ų72.454%0.53838%0.38SS..EExtended strand (participates in β ladder)trans-101110.6167.9-60.1172.9000108.7K70I68-K70 PolarHBondContact O-N 2.85Å
69R97.1Very high96.8Very high81 Ų8172.1 Ų72.131%0.30637%0.368SS..EExtended strand (participates in β ladder)trans-79.8118.7178.1-59.7-67.9-176.4-154.4-2.4109.7V59 C71 F86 D116 I117V59-R69 PolarHBondContact N-O 2.84Å; V59-R69 WeakPolarHBondContact O-CB 3.18Å; V59-R69 PolarHBondContact O-N 2.87Å; R69-C71 PolarHBondContact O-N 2.86Å; R69-F86 HydrophobicContact CB-CD2 4.43Å; R69-F86 HydrophobicContact CB-CE2 4.18Å; R69-D116 IonicContact CZ-OD1 2.69Å; R69-D116 IonicContact CZ-OD2 3.23Å; R69-D116 IonicContact NE-OD1 3.06Å; R69-D116 PolarHBondContact NE-OD1 3.07Å; R69-D116 IonicContact NE-OD2 3.7Å; R69-D116 PolarHBondContact NE-OD2 3.38Å; R69-D116 IonicContact NH2-OD1 3.01Å; R69-D116 PolarHBondContact NH2-OD1 2.96Å; R69-D116 IonicContact NH2-OD2 2.7Å; R69-D116 PolarHBondContact NH2-OD2 3.37Å; R69-I117 HydrophobicContact CB-CD1 4.35Å; R69-I117 HydrophobicContact CB-CG1 4.49Å; R69-I117 HydrophobicContact CB-CG2 4.16Å; R69-I117 HydrophobicContact CG-CD1 4.21Å; R69-I117 HydrophobicContact CG-CG1 3.98Å; R69-I117 HydrophobicContact CG-CG2 4.34Å
70K97.5Very high96.7Very high107 Ų10772.6 Ų72.647%0.46538%0.378SS..EExtended strand (participates in β ladder)trans-71.1115.3179.6-57.8-53.9-176.9176.90110.4I68 F86 V87 L93I68-K70 PolarHBondContact O-N 2.85Å; K70-F86 VanDerWaalsContact O-CD2 3.32Å; K70-F86 WeakPolarHBondContact O-CD2 3.25Å; K70-V87 PolarHBondContact O-N 2.73Å; K70-V87 VanDerWaalsContact O-N 3.09Å; K70-L93 HydrophobicContact CB-CB 4.42Å; K70-L93 HydrophobicContact CB-CD2 4.08Å; K70-L93 HydrophobicContact CD-CD2 3.98Å; K70-L93 HydrophobicContact CG-CD2 4.16Å
71C97.5Very high96.6Very high0 Ų069.6 Ų69.60%036%0.362CS..EExtended strand (participates in β ladder)trans-127.4170.1-179.5-61.80000110.2V57 V59 R69 T84 A85V57-C71 PolarHBondContact N-O 3.04Å; V57-C71 CarbonylContact O-C 3.53Å; V57-C71 WeakPolarHBondContact O-CA 3.48Å; V57-C71 WeakPolarHBondContact O-CB 3.41Å; V57-C71 PolarHBondContact O-N 2.9Å; V59-C71 HydrophobicContact CG2-CB 4.08Å; R69-C71 PolarHBondContact O-N 2.86Å; C71-T84 HydrophobicContact CB-CG2 3.81Å; C71-A85 CarbonylContact C-O 3.56Å; C71-A85 VanDerWaalsContact CA-O 3.28Å; C71-A85 WeakPolarHBondContact CA-O 3.34Å; C71-A85 WeakPolarHBondContact CB-O 3.47Å
72V97.9Very high96.6Very high0 Ų075.8 Ų75.80%039%0.387CS..EExtended strand (participates in β ladder)trans-136.9140179-178.10000108.5V53 E55 V74 A85 V87 L93 I96 I124V53-V72 HydrophobicContact CB-CG1 4Å; V53-V72 HydrophobicContact CG1-CG1 3.24Å; V53-V72 HydrophobicContact CG2-CG1 3.73Å; E55-V72 WeakPolarHBondContact O-CA 3.38Å; E55-V72 WeakPolarHBondContact O-CG1 3.26Å; V72-V74 HydrophobicContact CB-CG2 4.48Å; V72-V74 HydrophobicContact CG1-CG2 4.12Å; V72-A85 PolarHBondContact N-O 2.93Å; V72-A85 PolarHBondContact O-N 3.13Å; V72-V87 HydrophobicContact CG2-CG2 3.54Å; V72-L93 HydrophobicContact CG2-CD1 3.76Å; V72-I96 HydrophobicContact CG2-CD1 4.41Å; V72-I96 HydrophobicContact CG2-CG2 4.37Å; V72-I124 HydrophobicContact CB-CD1 4.15Å; V72-I124 HydrophobicContact CG2-CD1 4.17Å
73R98.2Very high96.6Very high103 Ų10371.7 Ų71.739%0.38937%0.37SS..EExtended strand (participates in β ladder)trans-87.1121173-136.1149.769.5170.5-0.9108L54 E55 V57L54-R73 HydrophobicContact CB-CB 4.43Å; L54-R73 PolarHBondContact N-O 2.92Å; E55-R73 HydrophobicContact CG-CB 3.64Å; E55-R73 PolarHBondContact O-N 3.21Å; E55-R73 WeakPolarHBondContact OE1-CD 3.49Å; E55-R73 IonicContact OE1-CZ 2.86Å; E55-R73 IonicContact OE1-NE 3.6Å; E55-R73 PolarHBondContact OE1-NE 2.7Å; E55-R73 IonicContact OE1-NH1 2.65Å; E55-R73 PolarHBondContact OE1-NH1 2.98Å; E55-R73 IonicContact OE1-NH2 3.25Å; E55-R73 PolarHBondContact OE1-NH2 2.85Å; E55-R73 IonicContact OE2-CZ 3.42Å; E55-R73 VanDerWaalsContact OE2-CZ 3.25Å; E55-R73 IonicContact OE2-NE 3.5Å; E55-R73 IonicContact OE2-NH2 3.75Å; E55-R73 PolarHBondContact OE2-NH2 2.81Å; V57-R73 HydrophobicContact CG2-CB 4.19Å
74V98.3Very high96.8Very high0 Ų066.1 Ų66.10%035%0.347CS..EExtended strand (participates in β ladder)trans-121.4130.5-172.8-179.40000109.3V52 V72 K82 I83 A85 V102 V104V52-V74 CarbonylContact O-C 3.6Å; V52-V74 WeakPolarHBondContact O-CA 3.38Å; V72-V74 HydrophobicContact CB-CG2 4.48Å; V72-V74 HydrophobicContact CG1-CG2 4.12Å; V74-K82 CarbonylContact O-C 3.58Å; V74-K82 WeakPolarHBondContact O-CA 3.33Å; V74-I83 HydrophobicContact CB-CG1 4.1Å; V74-I83 PolarHBondContact N-O 2.81Å; V74-I83 WeakPolarHBondContact O-CG1 3.42Å; V74-I83 PolarHBondContact O-N 2.88Å; V74-A85 HydrophobicContact CG2-CB 4.29Å; V74-V102 HydrophobicContact CG1-CG2 3.73Å; V74-V102 HydrophobicContact CG2-CG2 3.92Å; V74-V104 HydrophobicContact CG1-CG2 4.06Å; V74-V104 HydrophobicContact CG2-CG2 4.49Å
75Q98.1Very high96.8Very high73 Ų7360.4 Ų60.434%0.34131%0.31SS..EExtended strand (participates in β ladder)trans-93.1122.3168.7-170.4171.7800109.9G51 V52 L54 L77 G80G51-Q75 CarbonylContact C-O 3.55Å; G51-Q75 WeakPolarHBondContact CA-O 3.42Å; V52-Q75 PolarHBondContact N-O 2.96Å; V52-Q75 PolarHBondContact O-N 3.1Å; L54-Q75 HydrophobicContact CD1-CB 4.14Å; L54-Q75 HydrophobicContact CD2-CB 4.19Å; L54-Q75 HydrophobicContact CG-CB 4.18Å; Q75-L77 PolarHBondContact O-N 3.44Å; Q75-G80 PolarHBondContact NE2-O 3.02Å
76L97.8Very high96.9Very high0 Ų058.8 Ų58.80%030%0.299CS..EExtended strand (participates in β ladder)trans-73.9126.2178.1-65.3-176.9000111P42 F43 A49 K78 N79 G80 K81 I83P42-L76 HydrophobicContact CB-CD1 3.93Å; P42-L76 WeakPolarHBondContact O-CD1 3.45Å; F43-L76 HydrophobicContact CD1-CD1 3.91Å; F43-L76 HydrophobicContact CE1-CD1 4.03Å; F43-L76 HydrophobicContact CE1-CD2 4.13Å; A49-L76 HydrophobicContact CB-CD1 4.49Å; A49-L76 HydrophobicContact CB-CD2 3.74Å; L76-K78 VanDerWaalsContact C-N 3.26Å; L76-K78 PolarHBondContact O-N 2.86Å; L76-N79 VanDerWaalsContact CB-OD1 3.28Å; L76-N79 WeakPolarHBondContact CB-OD1 3.03Å; L76-N79 PolarHBondContact O-N 3.01Å; L76-G80 VanDerWaalsContact O-CA 3.29Å; L76-G80 WeakPolarHBondContact O-CA 3.45Å; L76-G80 PolarHBondContact O-N 3.03Å; L76-K81 PolarHBondContact N-O 3.46Å; L76-I83 HydrophobicContact CD1-CD1 4.32Å; L76-I83 HydrophobicContact CD1-CG2 4.36Å; L76-I83 HydrophobicContact CD2-CD1 3.73Å; L76-I83 HydrophobicContact CD2-CG1 4.33Å; L76-I83 HydrophobicContact CG-CD1 4.1Å; L76-I83 HydrophobicContact CG-CG1 4.34Å
77L96.7Very high97Very high100 Ų10053 Ų5352%0.52426%0.259SS..THydrogen-bonded Turntrans-60.9-35.3-179.5-71172.9000112.6K50 V52 Q75 N79K50-L77 HydrophobicContact CB-CD1 4.29Å; K50-L77 HydrophobicContact CD-CD1 3.49Å; K50-L77 VanDerWaalsContact CD-CD1 3.49Å; K50-L77 HydrophobicContact CG-CD1 3.78Å; K50-L77 PolarHBondContact O-N 2.87Å; V52-L77 HydrophobicContact CG2-CD2 3.73Å; V52-L77 HydrophobicContact CG2-CG 4.26Å; Q75-L77 PolarHBondContact O-N 3.44Å; L77-N79 VanDerWaalsContact C-N 3.34Å; L77-N79 PolarHBondContact O-N 3.06Å
78K93.9Very high97Very high89 Ų8952.6 Ų52.639%0.38725%0.253SS..THydrogen-bonded Turntrans-73.1-19.7-172.873-176.4-178.4-173.20116P42 F43 L76P42-K78 VanDerWaalsContact O-CE 3.31Å; P42-K78 WeakPolarHBondContact O-CE 3.47Å; F43-K78 VanDerWaalsContact CA-NZ 3.28Å; F43-K78 PolarHBondContact O-NZ 3.07Å; L76-K78 VanDerWaalsContact C-N 3.26Å; L76-K78 PolarHBondContact O-N 2.86Å
79N94.5Very high97Very high42 Ų4251.7 Ų51.723%0.22525%0.249CC..THydrogen-bonded Turntrans-151.95.8-173.761.57.8000114P42 L76 L77 K81P42-N79 PolarHBondContact O-ND2 2.86Å; L76-N79 VanDerWaalsContact CB-OD1 3.28Å; L76-N79 WeakPolarHBondContact CB-OD1 3.03Å; L76-N79 PolarHBondContact O-N 3.01Å; L77-N79 VanDerWaalsContact C-N 3.34Å; L77-N79 PolarHBondContact O-N 3.06Å; N79-K81 HydrophobicContact CB-CG 4.49Å; N79-K81 PolarHBondContact O-N 3.28Å; N79-K81 WeakPolarHBondContact OD1-CB 3.22Å; N79-K81 PolarHBondContact OD1-N 3.36Å
80G95.4Very high96.9Very high36 Ų3654.4 Ų54.437%0.37127%0.27SS..  trans65.23.6179.900000115.1Q75 L76 K82Q75-G80 PolarHBondContact NE2-O 3.02Å; L76-G80 VanDerWaalsContact O-CA 3.29Å; L76-G80 WeakPolarHBondContact O-CA 3.45Å; L76-G80 PolarHBondContact O-N 3.03Å; G80-K82 PolarHBondContact O-N 2.7Å
81K96.3Very high96.7Very high88 Ų8850.9 Ų50.938%0.38326%0.264SS..  trans-70.4131.5-177.7-70.3-172176.5-174.10110.1P42 L76 N79P42-K81 HydrophobicContact CB-CD 4.27Å; L76-K81 PolarHBondContact N-O 3.46Å; N79-K81 HydrophobicContact CB-CG 4.49Å; N79-K81 PolarHBondContact O-N 3.28Å; N79-K81 WeakPolarHBondContact OD1-CB 3.22Å; N79-K81 PolarHBondContact OD1-N 3.36Å
82K97.3Very high96.6Very high144 Ų14451 Ų5163%0.62627%0.265SS*.EExtended strand (participates in β ladder)trans-82.3131.5172.8-60.5-178.9-178.6-178.40109.5L54 V74 G80L54-K82 HydrophobicContact CD1-CD 3.88Å; L54-K82 HydrophobicContact CD1-CG 4.02Å; V74-K82 CarbonylContact O-C 3.58Å; V74-K82 WeakPolarHBondContact O-CA 3.33Å; G80-K82 PolarHBondContact O-N 2.7Å
83I97.1Very high96.5Very high16 Ų1652.4 Ų52.48%0.08227%0.272CS..EExtended strand (participates in β ladder)trans-133.5155.717762.3169.6000110P42 F43 V74 L76 V104 F122P42-I83 HydrophobicContact CB-CG2 3.88Å; P42-I83 HydrophobicContact CG-CG2 4.17Å; F43-I83 HydrophobicContact CE1-CD1 3.94Å; V74-I83 HydrophobicContact CB-CG1 4.1Å; V74-I83 PolarHBondContact N-O 2.81Å; V74-I83 WeakPolarHBondContact O-CG1 3.42Å; V74-I83 PolarHBondContact O-N 2.88Å; L76-I83 HydrophobicContact CD1-CD1 4.32Å; L76-I83 HydrophobicContact CD1-CG2 4.36Å; L76-I83 HydrophobicContact CD2-CD1 3.73Å; L76-I83 HydrophobicContact CD2-CG1 4.33Å; L76-I83 HydrophobicContact CG-CD1 4.1Å; L76-I83 HydrophobicContact CG-CG1 4.34Å; I83-V104 HydrophobicContact CD1-CG1 3.95Å; I83-F122 HydrophobicContact CB-CD2 4.18Å; I83-F122 HydrophobicContact CB-CE2 4.33Å; I83-F122 HydrophobicContact CD1-CD2 3.96Å; I83-F122 HydrophobicContact CD1-CE2 4.42Å; I83-F122 HydrophobicContact CD1-CG 4.17Å; I83-F122 HydrophobicContact CG2-CE2 4.19Å
84T97.7Very high96.3Very high48 Ų4853.6 Ų53.629%0.29429%0.286SS..EExtended strand (participates in β ladder)trans-98.6129.6168.8-49.20000109.1C71 V120C71-T84 HydrophobicContact CB-CG2 3.81Å; T84-V120 HydrophobicContact CG2-CG1 4.49Å; T84-V120 HydrophobicContact CG2-CG2 3.86Å
85A97.9Very high96.1Very high0 Ų056.2 Ų56.20%030%0.298CS..EExtended strand (participates in β ladder)trans-122.8137.4176.900000110.7C71 V72 V74 V104 F122 I124C71-A85 CarbonylContact C-O 3.56Å; C71-A85 VanDerWaalsContact CA-O 3.28Å; C71-A85 WeakPolarHBondContact CA-O 3.34Å; C71-A85 WeakPolarHBondContact CB-O 3.47Å; V72-A85 PolarHBondContact N-O 2.93Å; V72-A85 PolarHBondContact O-N 3.13Å; V74-A85 HydrophobicContact CG2-CB 4.29Å; A85-V104 HydrophobicContact CB-CG1 3.98Å; A85-F122 WeakPolarHBondContact CA-O 3.4Å; A85-F122 HydrophobicContact CB-CB 4.22Å; A85-I124 HydrophobicContact CB-CG1 3.96Å
86F98.1Very high96Very high39 Ų3952.8 Ų52.817%0.17128%0.282CS..EExtended strand (participates in β ladder)trans-77.7142.7175.2177.4-116000111.4R69 K70 P88 F107 I117 V120 F122 K123 I124R69-F86 HydrophobicContact CB-CD2 4.43Å; R69-F86 HydrophobicContact CB-CE2 4.18Å; K70-F86 VanDerWaalsContact O-CD2 3.32Å; K70-F86 WeakPolarHBondContact O-CD2 3.25Å; F86-P88 HydrophobicContact CD1-CB 4.42Å; F86-P88 HydrophobicContact CE1-CB 4.15Å; F86-P88 WeakPolarHBondContact O-CD 3.29Å; F86-F107 HydrophobicContact CB-CE1 4.4Å; F86-F107 HydrophobicContact CB-CE2 4.29Å; F86-F107 HydrophobicContact CB-CZ 3.54Å; F86-F107 HydrophobicContact CD1-CE1 4.03Å; F86-F107 AromaticContact CD1-CZ 3.87Å; F86-F107 HydrophobicContact CD1-CZ 3.87Å; F86-F107 AromaticContact CG-CZ 4Å; F86-F107 HydrophobicContact CG-CZ 4Å; F86-I117 HydrophobicContact CB-CD1 4.42Å; F86-I117 HydrophobicContact CD1-CD1 4.2Å; F86-I117 HydrophobicContact CD2-CD1 3.58Å; F86-I117 HydrophobicContact CE1-CD1 4.36Å; F86-I117 HydrophobicContact CE2-CD1 3.79Å; F86-I117 HydrophobicContact CG-CD1 3.81Å; F86-I117 HydrophobicContact CZ-CD1 4.18Å; F86-V120 HydrophobicContact CB-CG1 3.97Å; F86-F122 PolarHBondContact N-O 3.23Å; F86-K123 CarbonylContact O-C 3.43Å; F86-K123 VanDerWaalsContact O-CA 3.27Å; F86-K123 WeakPolarHBondContact O-CA 3.25Å; F86-I124 PolarHBondContact O-N 3.26Å
87V97.6Very high95.8Very high4 Ų457.4 Ų57.42%0.02430%0.303CS..  trans-97.5111.5171.5-175.70000108.4K70 V72 C92 L93 I96 I124 L132K70-V87 PolarHBondContact O-N 2.73Å; K70-V87 VanDerWaalsContact O-N 3.09Å; V72-V87 HydrophobicContact CG2-CG2 3.54Å; V87-C92 HydrophobicContact CG1-CB 3.57Å; V87-L93 HydrophobicContact CG2-CD1 4Å; V87-I96 HydrophobicContact CB-CD1 4.35Å; V87-I96 HydrophobicContact CG1-CD1 3.77Å; V87-I96 HydrophobicContact CG2-CD1 3.58Å; V87-I124 HydrophobicContact CG2-CD1 4.02Å; V87-L132 HydrophobicContact CG1-CD2 4.29Å
88P96.5Very high95.8Very high29 Ų2958.1 Ų58.119%0.18830%0.304CS..  trans-76.7157.9-17931.4-34.3000112.4F86 C92 L132F86-P88 HydrophobicContact CD1-CB 4.42Å; F86-P88 HydrophobicContact CE1-CB 4.15Å; F86-P88 WeakPolarHBondContact O-CD 3.29Å; P88-C92 VanDerWaalsContact O-CB 3.24Å; P88-C92 WeakPolarHBondContact O-CB 3.47Å; P88-C92 PolarHBondContact O-SG 2.94Å; P88-C92 VanDerWaalsContact O-SG 3.41Å; P88-L132 HydrophobicContact CG-CD2 3.59Å
89N95.7Very high95.8Very high86 Ų8659.7 Ų59.746%0.4632%0.317SS..SBendtrans64162.5-177.1-47.5-35.1000114Y136N89-Y136 HydrophobicContact CB-CD1 4.28Å; N89-Y136 HydrophobicContact CB-CD2 3.99Å; N89-Y136 HydrophobicContact CB-CE1 4.25Å; N89-Y136 HydrophobicContact CB-CE2 3.97Å; N89-Y136 HydrophobicContact CB-CG 4.16Å
90D94.5Very high95.9Very high139 Ų13958.8 Ų58.874%0.74331%0.312SS*.THydrogen-bonded Turntrans-72.9151.1179.5-161.93.7000111.6C92 Y136D90-C92 PolarHBondContact O-N 2.65Å; D90-Y136 WeakPolarHBondContact O-CE2 3.28Å
91G93.7Very high95.9Very high33 Ų3361.3 Ų61.334%0.3431%0.314SS..THydrogen-bonded Turntrans65.6-10.2177.700000115.8L93 N94G91-L93 PolarHBondContact O-N 2.69Å; G91-N94 VanDerWaalsContact O-CB 3.27Å; G91-N94 WeakPolarHBondContact O-CB 3.29Å; G91-N94 PolarHBondContact O-N 2.83Å
92C96Very high96Very high1 Ų157.3 Ų57.31%0.00730%0.297CS..G310 helixtrans-67.2-15.6-171.3-74.90000114.5V87 P88 D90 N94 F95 L132V87-C92 HydrophobicContact CG1-CB 3.57Å; P88-C92 VanDerWaalsContact O-CB 3.24Å; P88-C92 WeakPolarHBondContact O-CB 3.47Å; P88-C92 PolarHBondContact O-SG 2.94Å; P88-C92 VanDerWaalsContact O-SG 3.41Å; D90-C92 PolarHBondContact O-N 2.65Å; C92-N94 PolarHBondContact O-N 3.35Å; C92-F95 HydrophobicContact CB-CD2 4.38Å; C92-F95 PolarHBondContact O-N 3.45Å; C92-L132 HydrophobicContact CB-CD1 4.43Å; C92-L132 HydrophobicContact CB-CD2 3.84Å; C92-L132 HydrophobicContact CB-CG 4.21Å
93L95.4Very high96Very high31 Ų3152.7 Ų52.716%0.16228%0.279CS..G310 helixtrans-64.6-23.8172.1-171.268.1000112K56 K70 V72 V87 G91 F95 I96K56-L93 HydrophobicContact CB-CD1 4.39Å; K56-L93 HydrophobicContact CD-CD1 4.1Å; K56-L93 HydrophobicContact CD-CD2 4.28Å; K56-L93 HydrophobicContact CD-CG 4.06Å; K56-L93 HydrophobicContact CG-CD1 4.03Å; K56-L93 PolarHBondContact NZ-O 2.83Å; K70-L93 HydrophobicContact CB-CB 4.42Å; K70-L93 HydrophobicContact CB-CD2 4.08Å; K70-L93 HydrophobicContact CD-CD2 3.98Å; K70-L93 HydrophobicContact CG-CD2 4.16Å; V72-L93 HydrophobicContact CG2-CD1 3.76Å; V87-L93 HydrophobicContact CG2-CD1 4Å; G91-L93 PolarHBondContact O-N 2.69Å; L93-F95 VanDerWaalsContact C-N 3.28Å; L93-F95 PolarHBondContact O-N 3.26Å; L93-I96 PolarHBondContact O-N 3.06Å
94N94.8Very high96Very high127 Ų12752 Ų5268%0.67928%0.275SS*.G310 helixtrans-72.2-23.5179.7-59.7-13.9000112.1G91 C92 I96G91-N94 VanDerWaalsContact O-CB 3.27Å; G91-N94 WeakPolarHBondContact O-CB 3.29Å; G91-N94 PolarHBondContact O-N 2.83Å; C92-N94 PolarHBondContact O-N 3.35Å; N94-I96 VanDerWaalsContact C-N 3.3Å
95F94.1Very high96Very high56 Ų5650.1 Ų50.125%0.24626%0.264CS..G310 helixtrans-81.3-9.2177.2-61.3-57.9000114.1C92 L93 L135C92-F95 HydrophobicContact CB-CD2 4.38Å; C92-F95 PolarHBondContact O-N 3.45Å; L93-F95 VanDerWaalsContact C-N 3.28Å; L93-F95 PolarHBondContact O-N 3.26Å; F95-L135 HydrophobicContact CB-CD1 4.09Å; F95-L135 HydrophobicContact CD1-CB 4.35Å; F95-L135 HydrophobicContact CD2-CB 4.02Å; F95-L135 HydrophobicContact CE1-CB 4.39Å; F95-L135 HydrophobicContact CE2-CB 4.1Å; F95-L135 HydrophobicContact CG-CB 4.17Å; F95-L135 HydrophobicContact CG-CD1 4.26Å; F95-L135 HydrophobicContact CZ-CB 4.28Å
96I95.1Very high95.9Very high0 Ų051.5 Ų51.50%028%0.279CS..  trans-108.5126.5-175.4-63.2158.5000108.1V53 K56 V72 V87 L93 N94 I124 V127 L132V53-I96 HydrophobicContact CG1-CG2 4.29Å; V53-I96 HydrophobicContact CG2-CG2 3.78Å; K56-I96 WeakPolarHBondContact CE-O 3.2Å; K56-I96 PolarHBondContact NZ-O 3.38Å; V72-I96 HydrophobicContact CG2-CD1 4.41Å; V72-I96 HydrophobicContact CG2-CG2 4.37Å; V87-I96 HydrophobicContact CB-CD1 4.35Å; V87-I96 HydrophobicContact CG1-CD1 3.77Å; V87-I96 HydrophobicContact CG2-CD1 3.58Å; L93-I96 PolarHBondContact O-N 3.06Å; N94-I96 VanDerWaalsContact C-N 3.3Å; I96-I124 HydrophobicContact CD1-CD1 3.73Å; I96-V127 HydrophobicContact CD1-CG2 4.18Å; I96-V127 HydrophobicContact CG1-CB 4.49Å; I96-V127 HydrophobicContact CG1-CG1 4.13Å; I96-V127 HydrophobicContact CG1-CG2 3.57Å; I96-L132 HydrophobicContact CD1-CD1 4.15Å; I96-L132 HydrophobicContact CG1-CD1 4.42Å
97E94.8Very high95.8Very high97 Ų9752 Ų5245%0.45328%0.281SS..  trans-108.4169.3171.4-75.7170.8-169.300111.8V53 D100 R142V53-E97 WeakPolarHBondContact CB-O 3.43Å; V53-E97 WeakPolarHBondContact CG1-O 3.45Å; E97-D100 PolarHBondContact N-OD2 3.08Å; E97-D100 WeakPolarHBondContact O-CB 3.31Å; E97-D100 PolarHBondContact O-N 3.19Å; E97-R142 VanDerWaalsContact CD-NH2 3.31Å; E97-R142 IonicContact OE1-CZ 3.79Å; E97-R142 IonicContact OE1-NH1 2.78Å; E97-R142 PolarHBondContact OE1-NH1 3.48Å; E97-R142 IonicContact OE1-NH2 3.89Å; E97-R142 IonicContact OE2-CZ 3.4Å; E97-R142 IonicContact OE2-NH1 3.1Å; E97-R142 PolarHBondContact OE2-NH1 2.96Å; E97-R142 VanDerWaalsContact OE2-NH1 3.1Å; E97-R142 IonicContact OE2-NH2 2.78Å; E97-R142 PolarHBondContact OE2-NH2 2.94Å
98E94.8Very high95.6Very high116 Ų11655.3 Ų55.354%0.54232%0.316SS..THydrogen-bonded Turntrans-66.3145.7170-67.7179.4-178.100109.7D100E98-D100 PolarHBondContact O-N 3.4Å; E98-D100 VanDerWaalsContact O-N 3.15Å
99N95Very high95.4Very high122 Ų12261.1 Ų61.165%0.65233%0.333SS*.THydrogen-bonded Turntrans66.12.1-174.8-49.8-58.2000116.1V53V53-N99 WeakPolarHBondContact O-CA 3.42Å; V53-N99 PolarHBondContact O-N 3.25Å
100D95.5Very high95.1Very high23 Ų2365.6 Ų65.612%0.12335%0.349CS..  trans-63.2141.9172.7-92.9-18.4000111.6V52 V53 E97 E98 V127 R142V52-D100 WeakPolarHBondContact CA-O 3.47Å; V53-D100 HydrophobicContact CG2-CB 4.41Å; V53-D100 PolarHBondContact N-O 3.01Å; E97-D100 PolarHBondContact N-OD2 3.08Å; E97-D100 WeakPolarHBondContact O-CB 3.31Å; E97-D100 PolarHBondContact O-N 3.19Å; E98-D100 PolarHBondContact O-N 3.4Å; E98-D100 VanDerWaalsContact O-N 3.15Å; D100-V127 HydrophobicContact CB-CG1 4.27Å; D100-R142 IonicContact OD1-NH2 2.98Å; D100-R142 PolarHBondContact OD1-NH2 3.19Å; D100-R142 IonicContact OD2-CZ 3.65Å; D100-R142 IonicContact OD2-NE 3.88Å; D100-R142 IonicContact OD2-NH2 3.01Å; D100-R142 PolarHBondContact OD2-NH2 3.36Å
101E96.4Very high94.9Very high89 Ų8960.6 Ų60.642%0.41633%0.33SS..EExtended strand (participates in β ladder)trans-76.3128.4166.4-68.1-161.2153.700111.3K50 A128K50-E101 WeakPolarHBondContact CE-OE2 3.41Å; K50-E101 IonicContact NZ-OE1 2.69Å; K50-E101 IonicContact NZ-OE2 3.47Å; K50-E101 PolarHBondContact NZ-OE2 2.83Å; E101-A128 PolarHBondContact O-N 3.4Å
102V97.7Very high94.9Very high3 Ų364.3 Ų64.32%0.01834%0.338CS..EExtended strand (participates in β ladder)trans-126.7146.9-180-64.40000112.3K50 G51 V53 V74 V104 I124 K126 V127K50-V102 WeakPolarHBondContact CA-O 3.28Å; G51-V102 PolarHBondContact N-O 2.96Å; G51-V102 WeakPolarHBondContact O-CG2 3.32Å; G51-V102 PolarHBondContact O-N 3.5Å; V53-V102 HydrophobicContact CG2-CB 4.49Å; V53-V102 HydrophobicContact CG2-CG1 3.61Å; V53-V102 HydrophobicContact CG2-CG2 4.02Å; V74-V102 HydrophobicContact CG1-CG2 3.73Å; V74-V102 HydrophobicContact CG2-CG2 3.92Å; V102-V104 HydrophobicContact CG2-CG2 4.02Å; V102-I124 HydrophobicContact CB-CG2 4.38Å; V102-I124 HydrophobicContact CG1-CD1 4.36Å; V102-I124 HydrophobicContact CG1-CG2 4.46Å; V102-K126 CarbonylContact C-O 3.6Å; V102-K126 WeakPolarHBondContact CA-O 3.22Å; V102-V127 HydrophobicContact CG1-CB 4.47Å; V102-V127 HydrophobicContact CG1-CG1 4.27Å; V102-V127 HydrophobicContact CG1-CG2 4.13Å
103L98Very high94.9Very high48 Ų4865.4 Ų65.425%0.25135%0.347SS..EExtended strand (participates in β ladder)trans-97.8121.8167.9-171.770.1000109.4H48 V125 K126H48-L103 HydrophobicContact CB-CD1 4.08Å; H48-L103 HydrophobicContact CB-CG 4.48Å; L103-V125 PolarHBondContact O-N 3.23Å; L103-K126 HydrophobicContact CB-CB 3.76Å; L103-K126 HydrophobicContact CB-CG 4.19Å; L103-K126 HydrophobicContact CD2-CB 4.48Å; L103-K126 HydrophobicContact CD2-CD 3.95Å; L103-K126 HydrophobicContact CD2-CG 3.99Å; L103-K126 PolarHBondContact N-O 3.21Å; L103-K126 PolarHBondContact O-N 2.83Å
104V97.7Very high94.9Very high0 Ų066.3 Ų66.30%035%0.354CS..EExtended strand (participates in β ladder)trans-109.4138.1-177.1-169.60000110.3F43 H48 A49 V74 I83 A85 V102 F122 K123F43-V104 HydrophobicContact CZ-CB 4.01Å; F43-V104 HydrophobicContact CZ-CG1 3.86Å; H48-V104 CarbonylContact C-O 3.41Å; H48-V104 VanDerWaalsContact CA-O 3.26Å; H48-V104 WeakPolarHBondContact CA-O 3.43Å; A49-V104 PolarHBondContact N-O 3.45Å; A49-V104 PolarHBondContact O-N 3.01Å; V74-V104 HydrophobicContact CG1-CG2 4.06Å; V74-V104 HydrophobicContact CG2-CG2 4.49Å; I83-V104 HydrophobicContact CD1-CG1 3.95Å; A85-V104 HydrophobicContact CB-CG1 3.98Å; V102-V104 HydrophobicContact CG2-CG2 4.02Å; V104-F122 HydrophobicContact CG1-CB 3.6Å; V104-F122 HydrophobicContact CG1-CG 4.26Å; V104-K123 WeakPolarHBondContact CA-O 3.31Å; V104-K123 WeakPolarHBondContact CG1-O 3.41Å
105S97.3Very high94.9Very high9 Ų962.9 Ų62.96%0.06335%0.348CS..EExtended strand (participates in β ladder)trans-121.9162.2171.9810000111.6H48 F122 K123 V125H48-S105 WeakPolarHBondContact CD2-CB 3.28Å; S105-F122 CarbonylContact O-C 3.6Å; S105-F122 WeakPolarHBondContact O-CA 3.47Å; S105-F122 WeakPolarHBondContact O-CB 3.43Å; S105-K123 PolarHBondContact N-O 3.15Å; S105-K123 PolarHBondContact O-N 3.44Å; S105-K123 VanDerWaalsContact OG-CE 3.31Å; S105-K123 WeakPolarHBondContact OG-CE 3.4Å; S105-K123 WeakPolarHBondContact OG-CG 3.44Å; S105-V125 WeakPolarHBondContact OG-CG2 3.29Å
106G96.2Very high95Very high30 Ų3061.3 Ų61.331%0.30934%0.343SS..EExtended strand (participates in β ladder)trans-70.8164163.900000112.3G108G106-G108 VanDerWaalsContact C-N 3.35Å
107F95.2Very high95Very high50 Ų5061.7 Ų61.722%0.21935%0.345CS..  trans-79.2-9.6174-82.3-65.9000115.4F86 V114 I117 V120 R121 F122 K123F86-F107 HydrophobicContact CB-CE1 4.4Å; F86-F107 HydrophobicContact CB-CE2 4.29Å; F86-F107 HydrophobicContact CB-CZ 3.54Å; F86-F107 HydrophobicContact CD1-CE1 4.03Å; F86-F107 AromaticContact CD1-CZ 3.87Å; F86-F107 HydrophobicContact CD1-CZ 3.87Å; F86-F107 AromaticContact CG-CZ 4Å; F86-F107 HydrophobicContact CG-CZ 4Å; F107-V114 HydrophobicContact CB-CB 4.05Å; F107-V114 HydrophobicContact CB-CG2 3.36Å; F107-V114 HydrophobicContact CD1-CB 4.43Å; F107-V114 HydrophobicContact CD2-CB 4.27Å; F107-V114 HydrophobicContact CD2-CG2 4.28Å; F107-V114 HydrophobicContact CG-CB 4.06Å; F107-V114 HydrophobicContact CG-CG2 3.92Å; F107-I117 HydrophobicContact CZ-CD1 4.46Å; F107-V120 HydrophobicContact CE2-CG1 4.1Å; F107-V120 WeakPolarHBondContact CE2-O 3.49Å; F107-R121 WeakPolarHBondContact CD2-O 3.43Å; F107-R121 PolarHBondContact N-O 3.47Å; F107-F122 WeakPolarHBondContact CE2-O 2.98Å; F107-K123 HydrophobicContact CD1-CB 4.22Å; F107-K123 HydrophobicContact CD1-CD 4.03Å; F107-K123 HydrophobicContact CD1-CG 4.36Å; F107-K123 HydrophobicContact CE1-CB 3.81Å; F107-K123 HydrophobicContact CE1-CD 4.18Å; F107-K123 HydrophobicContact CE1-CG 4.4Å; F107-K123 HydrophobicContact CZ-CB 4.14Å
108G92.8Very high95.1Very high73 Ų7359.4 Ų59.475%0.75334%0.338SS*.SBendtrans95.9-11.1-178.600000115.4G106 K110G106-G108 VanDerWaalsContact C-N 3.35Å; G108-K110 PolarHBondContact O-N 2.8Å
109R93.2Very high95.1Very high150 Ų15057.1 Ų57.157%0.56635%0.346SS*.SBendtrans-83.247.1177.5-157.8176.7-177.6-170.68.7113.2G111 H112 A113 V114R109-G111 PolarHBondContact O-N 3.3Å; R109-H112 HydrophobicContact CB-CB 4.41Å; R109-H112 HydrophobicContact CG-CB 4.24Å; R109-H112 WeakPolarHBondContact O-CB 3.4Å; R109-H112 PolarHBondContact O-CD2 2.87Å; R109-H112 PolarHBondContact O-N 2.82Å; R109-A113 WeakPolarHBondContact CD-O 3.47Å; R109-A113 PolarHBondContact NH1-O 3.27Å; R109-V114 HydrophobicContact CB-CG2 3.53Å; R109-V114 HydrophobicContact CG-CG2 4.37Å
110K89.3Confident95.1Very high181 Ų18151.4 Ų51.479%0.78732%0.315SS*.THydrogen-bonded Turntrans49.833.4178.3-62.8-179.4-179.5175.70115.3G108G108-K110 PolarHBondContact O-N 2.8Å
111G89.7Confident95.2Very high33 Ų3355 Ų5534%0.3433%0.327SS..THydrogen-bonded Turntrans84.122.9-177.600000113.8R109 R121R109-G111 PolarHBondContact O-N 3.3Å; G111-R121 PolarHBondContact O-NE 2.94Å; G111-R121 PolarHBondContact O-NH2 3.32Å
112H93.9Very high95.3Very high112 Ų11251.5 Ų51.552%0.51931%0.311SS..SBendtrans-104.2158.7168.9-62.4-77.3000110.8R109R109-H112 HydrophobicContact CB-CB 4.41Å; R109-H112 HydrophobicContact CG-CB 4.24Å; R109-H112 WeakPolarHBondContact O-CB 3.4Å; R109-H112 PolarHBondContact O-CD2 2.87Å; R109-H112 PolarHBondContact O-N 2.82Å
113A95.6Very high95.2Very high23 Ų2355 Ų5519%0.1933%0.326CS..  trans-65.8151.9170.300000110.7R109 V120 R121R109-A113 WeakPolarHBondContact CD-O 3.47Å; R109-A113 PolarHBondContact NH1-O 3.27Å; A113-V120 VanDerWaalsContact CA-O 3.29Å; A113-V120 WeakPolarHBondContact CA-O 2.99Å; A113-V120 VanDerWaalsContact CB-O 3.25Å; A113-V120 WeakPolarHBondContact CB-O 3.32Å; A113-R121 HydrophobicContact CB-CG 4.47Å
114V95.3Very high95.2Very high50 Ų5052.8 Ų52.830%0.30331%0.314SS..  trans-119.4143.2-173.7176.70000110.2F107 R109F107-V114 HydrophobicContact CB-CB 4.05Å; F107-V114 HydrophobicContact CB-CG2 3.36Å; F107-V114 HydrophobicContact CD1-CB 4.43Å; F107-V114 HydrophobicContact CD2-CB 4.27Å; F107-V114 HydrophobicContact CD2-CG2 4.28Å; F107-V114 HydrophobicContact CG-CB 4.06Å; F107-V114 HydrophobicContact CG-CG2 3.92Å; R109-V114 HydrophobicContact CB-CG2 3.53Å; R109-V114 HydrophobicContact CG-CG2 4.37Å
115G95.1Very high95.2Very high55 Ų5554.8 Ų54.857%0.56733%0.326SS*.THydrogen-bonded Turntrans62.3-140.2177.500000112.9
116D96.5Very high95.2Very high23 Ų2358.7 Ų58.712%0.12334%0.342CS..THydrogen-bonded Turntrans-89.14.6-177.564.1-10000113.7A61 K62 N65 R69 P118A61-D116 CarbonylContact C-O 3.52Å; A61-D116 WeakPolarHBondContact CA-O 3.37Å; A61-D116 HydrophobicContact CB-CB 4.31Å; K62-D116 HydrophobicContact CB-CB 4.44Å; K62-D116 WeakPolarHBondContact CG-O 3.31Å; K62-D116 PolarHBondContact N-O 3.29Å; N65-D116 PolarHBondContact ND2-OD2 3.41Å; R69-D116 IonicContact CZ-OD1 2.69Å; R69-D116 IonicContact CZ-OD2 3.23Å; R69-D116 IonicContact NE-OD1 3.06Å; R69-D116 PolarHBondContact NE-OD1 3.07Å; R69-D116 IonicContact NE-OD2 3.7Å; R69-D116 PolarHBondContact NE-OD2 3.38Å; R69-D116 IonicContact NH2-OD1 3.01Å; R69-D116 PolarHBondContact NH2-OD1 2.96Å; R69-D116 IonicContact NH2-OD2 2.7Å; R69-D116 PolarHBondContact NH2-OD2 3.37Å; D116-P118 WeakPolarHBondContact O-CD 3.38Å
117I95.2Very high95.2Very high9 Ų957.3 Ų57.35%0.04633%0.328CS..  trans-91.2104.4-177.3-36.3-172.6000109.7V59 R69 F86 F107 V120V59-I117 HydrophobicContact CG1-CG2 4.26Å; R69-I117 HydrophobicContact CB-CD1 4.35Å; R69-I117 HydrophobicContact CB-CG1 4.49Å; R69-I117 HydrophobicContact CB-CG2 4.16Å; R69-I117 HydrophobicContact CG-CD1 4.21Å; R69-I117 HydrophobicContact CG-CG1 3.98Å; R69-I117 HydrophobicContact CG-CG2 4.34Å; F86-I117 HydrophobicContact CB-CD1 4.42Å; F86-I117 HydrophobicContact CD1-CD1 4.2Å; F86-I117 HydrophobicContact CD2-CD1 3.58Å; F86-I117 HydrophobicContact CE1-CD1 4.36Å; F86-I117 HydrophobicContact CE2-CD1 3.79Å; F86-I117 HydrophobicContact CG-CD1 3.81Å; F86-I117 HydrophobicContact CZ-CD1 4.18Å; F107-I117 HydrophobicContact CZ-CD1 4.46Å; I117-V120 HydrophobicContact CB-CB 4.42Å; I117-V120 HydrophobicContact CG2-CB 3.68Å; I117-V120 HydrophobicContact CG2-CG2 3.57Å
118P96Very high95.1Very high48 Ų4856.5 Ų56.531%0.31233%0.33SS..SBendtrans-70.3140.4-179.130.3-34.2000111.2V59 E60 K62 D116 V120V59-P118 HydrophobicContact CG1-CG 3.85Å; E60-P118 WeakPolarHBondContact O-CD 3.41Å; E60-P118 WeakPolarHBondContact O-CG 3.23Å; K62-P118 HydrophobicContact CG-CB 4.26Å; K62-P118 HydrophobicContact CG-CG 4.44Å; D116-P118 WeakPolarHBondContact O-CD 3.38Å; P118-V120 PolarHBondContact O-N 3.34Å
119G94.8Very high95.1Very high68 Ų6856.2 Ų56.270%0.70133%0.327SS*.SBendtrans71.6-21.2173.400000116.5R121G119-R121 PolarHBondContact O-N 2.95Å
120V96.8Very high95.2Very high3 Ų350 Ų502%0.01831%0.305CS..  trans-85.2114.7-176.8-170.50000110.7V59 T84 F86 F107 A113 I117 P118 F122V59-V120 HydrophobicContact CG2-CG2 4.19Å; T84-V120 HydrophobicContact CG2-CG1 4.49Å; T84-V120 HydrophobicContact CG2-CG2 3.86Å; F86-V120 HydrophobicContact CB-CG1 3.97Å; F107-V120 HydrophobicContact CE2-CG1 4.1Å; F107-V120 WeakPolarHBondContact CE2-O 3.49Å; A113-V120 VanDerWaalsContact CA-O 3.29Å; A113-V120 WeakPolarHBondContact CA-O 2.99Å; A113-V120 VanDerWaalsContact CB-O 3.25Å; A113-V120 WeakPolarHBondContact CB-O 3.32Å; I117-V120 HydrophobicContact CB-CB 4.42Å; I117-V120 HydrophobicContact CG2-CB 3.68Å; I117-V120 HydrophobicContact CG2-CG2 3.57Å; P118-V120 PolarHBondContact O-N 3.34Å; V120-F122 WeakPolarHBondContact CG1-O 3.49Å
121R96.6Very high95.6Very high98 Ų9843.5 Ų43.537%0.3728%0.283SS..  trans-108.1-7.8-174.2-61.6163.367.6-173.65.6113.2F107 G111 A113 G119F107-R121 WeakPolarHBondContact CD2-O 3.43Å; F107-R121 PolarHBondContact N-O 3.47Å; G111-R121 PolarHBondContact O-NE 2.94Å; G111-R121 PolarHBondContact O-NH2 3.32Å; A113-R121 HydrophobicContact CB-CG 4.47Å; G119-R121 PolarHBondContact O-N 2.95Å
122F97.4Very high95.8Very high16 Ų1642 Ų427%0.0727%0.267CS..EExtended strand (participates in β ladder)trans-129.8158.4-169.6-55-72.8000111.2P42 F43 I83 A85 F86 V104 S105 F107 V120P42-F122 HydrophobicContact CG-CE1 4.36Å; P42-F122 HydrophobicContact CG-CE2 3.85Å; P42-F122 HydrophobicContact CG-CZ 3.39Å; F43-F122 HydrophobicContact CD1-CE1 4.15Å; F43-F122 HydrophobicContact CD2-CE1 4.3Å; F43-F122 AromaticContact CE1-CD1 3.96Å; F43-F122 HydrophobicContact CE1-CD1 3.96Å; F43-F122 AromaticContact CE1-CE1 3.84Å; F43-F122 HydrophobicContact CE1-CE1 3.84Å; F43-F122 HydrophobicContact CE1-CZ 4.43Å; F43-F122 AromaticContact CE2-CD1 3.95Å; F43-F122 HydrophobicContact CE2-CD1 3.95Å; F43-F122 HydrophobicContact CE2-CE1 4.01Å; F43-F122 HydrophobicContact CG-CE1 4.37Å; F43-F122 AromaticContact CZ-CD1 3.54Å; F43-F122 HydrophobicContact CZ-CD1 3.54Å; F43-F122 AromaticContact CZ-CE1 3.77Å; F43-F122 HydrophobicContact CZ-CE1 3.77Å; F43-F122 HydrophobicContact CZ-CG 4.37Å; I83-F122 HydrophobicContact CB-CD2 4.18Å; I83-F122 HydrophobicContact CB-CE2 4.33Å; I83-F122 HydrophobicContact CD1-CD2 3.96Å; I83-F122 HydrophobicContact CD1-CE2 4.42Å; I83-F122 HydrophobicContact CD1-CG 4.17Å; I83-F122 HydrophobicContact CG2-CE2 4.19Å; A85-F122 WeakPolarHBondContact CA-O 3.4Å; A85-F122 HydrophobicContact CB-CB 4.22Å; F86-F122 PolarHBondContact N-O 3.23Å; V104-F122 HydrophobicContact CG1-CB 3.6Å; V104-F122 HydrophobicContact CG1-CG 4.26Å; S105-F122 CarbonylContact O-C 3.6Å; S105-F122 WeakPolarHBondContact O-CA 3.47Å; S105-F122 WeakPolarHBondContact O-CB 3.43Å; F107-F122 WeakPolarHBondContact CE2-O 2.98Å; V120-F122 WeakPolarHBondContact CG1-O 3.49Å
123K97.4Very high96Very high76 Ų7643.8 Ų43.833%0.3327%0.274SS..EExtended strand (participates in β ladder)trans-135.5155.4174.766.6178.3-176.9177.90111.2F86 V104 S105 F107F86-K123 CarbonylContact O-C 3.43Å; F86-K123 VanDerWaalsContact O-CA 3.27Å; F86-K123 WeakPolarHBondContact O-CA 3.25Å; V104-K123 WeakPolarHBondContact CA-O 3.31Å; V104-K123 WeakPolarHBondContact CG1-O 3.41Å; S105-K123 PolarHBondContact N-O 3.15Å; S105-K123 PolarHBondContact O-N 3.44Å; S105-K123 VanDerWaalsContact OG-CE 3.31Å; S105-K123 WeakPolarHBondContact OG-CE 3.4Å; S105-K123 WeakPolarHBondContact OG-CG 3.44Å; F107-K123 HydrophobicContact CD1-CB 4.22Å; F107-K123 HydrophobicContact CD1-CD 4.03Å; F107-K123 HydrophobicContact CD1-CG 4.36Å; F107-K123 HydrophobicContact CE1-CB 3.81Å; F107-K123 HydrophobicContact CE1-CD 4.18Å; F107-K123 HydrophobicContact CE1-CG 4.4Å; F107-K123 HydrophobicContact CZ-CB 4.14Å
124I97.7Very high96Very high2 Ų243.6 Ų43.61%0.0127%0.272CS..EExtended strand (participates in β ladder)trans-81.3139.6173.5-58.7-170.3000109.9V72 A85 F86 V87 I96 V102 V127 L132V72-I124 HydrophobicContact CB-CD1 4.15Å; V72-I124 HydrophobicContact CG2-CD1 4.17Å; A85-I124 HydrophobicContact CB-CG1 3.96Å; F86-I124 PolarHBondContact O-N 3.26Å; V87-I124 HydrophobicContact CG2-CD1 4.02Å; I96-I124 HydrophobicContact CD1-CD1 3.73Å; V102-I124 HydrophobicContact CB-CG2 4.38Å; V102-I124 HydrophobicContact CG1-CD1 4.36Å; V102-I124 HydrophobicContact CG1-CG2 4.46Å; I124-V127 HydrophobicContact CG2-CG2 3.87Å; I124-L132 HydrophobicContact CG2-CD1 4.3Å
125V97.6Very high96Very high42 Ų4241.4 Ų41.426%0.25526%0.258SS..EExtended strand (participates in β ladder)trans-117.5-42179.7-176.60000111.7L103 S105 L132L103-V125 PolarHBondContact O-N 3.23Å; S105-V125 WeakPolarHBondContact OG-CG2 3.29Å; V125-L132 PolarHBondContact O-N 3.47Å
126K97.1Very high96Very high90 Ų9043.7 Ų43.739%0.39125%0.25SS..EExtended strand (participates in β ladder)trans-135.3151.9178.8-55.9-170.8176.7-177.30110.5V102 L103 V130V102-K126 CarbonylContact C-O 3.6Å; V102-K126 WeakPolarHBondContact CA-O 3.22Å; L103-K126 HydrophobicContact CB-CB 3.76Å; L103-K126 HydrophobicContact CB-CG 4.19Å; L103-K126 HydrophobicContact CD2-CB 4.48Å; L103-K126 HydrophobicContact CD2-CD 3.95Å; L103-K126 HydrophobicContact CD2-CG 3.99Å; L103-K126 PolarHBondContact N-O 3.21Å; L103-K126 PolarHBondContact O-N 2.83Å; K126-V130 CarbonylContact C-O 3.49Å; K126-V130 WeakPolarHBondContact CA-O 3.43Å; K126-V130 WeakPolarHBondContact CB-O 3.38Å
127V96.2Very high96Very high2 Ų245.5 Ų45.51%0.01226%0.262CS..EExtended strand (participates in β ladder)trans-135133.6175.8-175.10000106.7I96 D100 V102 I124 G129 V130 L132I96-V127 HydrophobicContact CD1-CG2 4.18Å; I96-V127 HydrophobicContact CG1-CB 4.49Å; I96-V127 HydrophobicContact CG1-CG1 4.13Å; I96-V127 HydrophobicContact CG1-CG2 3.57Å; D100-V127 HydrophobicContact CB-CG1 4.27Å; V102-V127 HydrophobicContact CG1-CB 4.47Å; V102-V127 HydrophobicContact CG1-CG1 4.27Å; V102-V127 HydrophobicContact CG1-CG2 4.13Å; I124-V127 HydrophobicContact CG2-CG2 3.87Å; V127-G129 PolarHBondContact O-N 3.14Å; V127-G129 VanDerWaalsContact O-N 3.09Å; V127-V130 PolarHBondContact N-O 2.66Å; V127-V130 PolarHBondContact O-N 3.04Å; V127-V130 VanDerWaalsContact O-O 3.13Å; V127-L132 HydrophobicContact CG2-CD1 3.51Å
128A92.7Very high95.9Very high33 Ų3352.7 Ų52.727%0.27330%0.295SS..THydrogen-bonded Turntrans48.341.4-179.700000113.3E101 V130 P143E101-A128 PolarHBondContact O-N 3.4Å; A128-V130 PolarHBondContact O-N 3.18Å; A128-V130 VanDerWaalsContact O-N 3.11Å; A128-P143 HydrophobicContact CB-CG 4.18Å; A128-P143 WeakPolarHBondContact O-CG 3.47Å
129G93Very high95.9Very high66 Ų6658.5 Ų58.568%0.6832%0.316SS*.THydrogen-bonded Turntrans75.7-11.7-177.900000116V127V127-G129 PolarHBondContact O-N 3.14Å; V127-G129 VanDerWaalsContact O-N 3.09Å
130V95.5Very high95.9Very high19 Ų1961.6 Ų61.612%0.11531%0.31CS..EExtended strand (participates in β ladder)trans-96.9145.1-178.9-174.60000111.4K126 V127 A128 L132 A134 L135 K140 P143K126-V130 CarbonylContact C-O 3.49Å; K126-V130 WeakPolarHBondContact CA-O 3.43Å; K126-V130 WeakPolarHBondContact CB-O 3.38Å; V127-V130 PolarHBondContact N-O 2.66Å; V127-V130 PolarHBondContact O-N 3.04Å; V127-V130 VanDerWaalsContact O-O 3.13Å; A128-V130 PolarHBondContact O-N 3.18Å; A128-V130 VanDerWaalsContact O-N 3.11Å; V130-L132 PolarHBondContact O-N 3.33Å; V130-A134 HydrophobicContact CG1-CB 4.47Å; V130-L135 HydrophobicContact CB-CD2 4.45Å; V130-L135 HydrophobicContact CB-CG 4.46Å; V130-L135 HydrophobicContact CG1-CD1 4.46Å; V130-L135 HydrophobicContact CG1-CD2 3.86Å; V130-L135 HydrophobicContact CG1-CG 3.87Å; V130-K140 HydrophobicContact CG1-CB 3.82Å; V130-K140 HydrophobicContact CG1-CD 3.98Å; V130-P143 HydrophobicContact CG2-CG 4Å
131S96.4Very high95.6Very high45 Ų4569.6 Ų69.632%0.31535%0.347SS..EExtended strand (participates in β ladder)trans-68.2131.7174.9-179.90000111.3K133 A134 L135S131-K133 PolarHBondContact O-N 3.05Å; S131-K133 PolarHBondContact OG-N 3.14Å; S131-A134 WeakPolarHBondContact O-CA 3.44Å; S131-A134 WeakPolarHBondContact O-CB 3.17Å; S131-A134 PolarHBondContact O-N 3.43Å; S131-L135 PolarHBondContact O-N 2.97Å; S131-L135 VanDerWaalsContact O-N 3.08Å
132L95.9Very high95.2Very high3 Ų368.4 Ų68.42%0.01634%0.343CS..Hα-helixtrans-59-35175.9-160.397.6000111.7V87 P88 C92 I96 I124 V125 V127 V130 A134 L135 Y136V87-L132 HydrophobicContact CG1-CD2 4.29Å; P88-L132 HydrophobicContact CG-CD2 3.59Å; C92-L132 HydrophobicContact CB-CD1 4.43Å; C92-L132 HydrophobicContact CB-CD2 3.84Å; C92-L132 HydrophobicContact CB-CG 4.21Å; I96-L132 HydrophobicContact CD1-CD1 4.15Å; I96-L132 HydrophobicContact CG1-CD1 4.42Å; I124-L132 HydrophobicContact CG2-CD1 4.3Å; V125-L132 PolarHBondContact O-N 3.47Å; V127-L132 HydrophobicContact CG2-CD1 3.51Å; V130-L132 PolarHBondContact O-N 3.33Å; L132-A134 VanDerWaalsContact C-N 3.32Å; L132-A134 PolarHBondContact O-N 3.48Å; L132-L135 PolarHBondContact O-N 3.15Å; L132-Y136 WeakPolarHBondContact O-CB 3.48Å; L132-Y136 PolarHBondContact O-N 3.22Å
133K96.3Very high94.6Very high149 Ų14970.8 Ų70.865%0.64836%0.36SS*.Hα-helixtrans-66.6-34.2175.4-172.5173.5-177.4177.50112.1S131 T137S131-K133 PolarHBondContact O-N 3.05Å; S131-K133 PolarHBondContact OG-N 3.14Å; K133-T137 WeakPolarHBondContact O-CB 3.49Å; K133-T137 WeakPolarHBondContact O-CG2 3.49Å; K133-T137 PolarHBondContact O-N 3.22Å; K133-T137 PolarHBondContact O-OG1 3.26Å
134A96.5Very high93.6Very high18 Ų1878.5 Ų78.515%0.14939%0.387CS..Hα-helixtrans-71.6-38.5177.400000111.5V130 S131 L132 H138 K139 K140V130-A134 HydrophobicContact CG1-CB 4.47Å; S131-A134 WeakPolarHBondContact O-CA 3.44Å; S131-A134 WeakPolarHBondContact O-CB 3.17Å; S131-A134 PolarHBondContact O-N 3.43Å; L132-A134 VanDerWaalsContact C-N 3.32Å; L132-A134 PolarHBondContact O-N 3.48Å; A134-H138 PolarHBondContact O-N 2.9Å; A134-K139 HydrophobicContact CB-CB 4.49Å; A134-K139 PolarHBondContact O-N 2.99Å; A134-K140 HydrophobicContact CB-CB 4.13Å; A134-K140 HydrophobicContact CB-CD 4.46Å; A134-K140 HydrophobicContact CB-CG 4.22Å; A134-K140 PolarHBondContact O-N 3.41Å
135L95.2Very high92.1Very high4 Ų486.7 Ų86.72%0.02146%0.455CS..Hα-helixtrans-63.4-47.9172.1-64.1172.2000111F95 V130 S131 L132 T137 H138 R142F95-L135 HydrophobicContact CB-CD1 4.09Å; F95-L135 HydrophobicContact CD1-CB 4.35Å; F95-L135 HydrophobicContact CD2-CB 4.02Å; F95-L135 HydrophobicContact CE1-CB 4.39Å; F95-L135 HydrophobicContact CE2-CB 4.1Å; F95-L135 HydrophobicContact CG-CB 4.17Å; F95-L135 HydrophobicContact CG-CD1 4.26Å; F95-L135 HydrophobicContact CZ-CB 4.28Å; V130-L135 HydrophobicContact CB-CD2 4.45Å; V130-L135 HydrophobicContact CB-CG 4.46Å; V130-L135 HydrophobicContact CG1-CD1 4.46Å; V130-L135 HydrophobicContact CG1-CD2 3.86Å; V130-L135 HydrophobicContact CG1-CG 3.87Å; S131-L135 PolarHBondContact O-N 2.97Å; S131-L135 VanDerWaalsContact O-N 3.08Å; L132-L135 PolarHBondContact O-N 3.15Å; L135-T137 VanDerWaalsContact C-N 3.31Å; L135-T137 PolarHBondContact O-N 2.95Å; L135-H138 PolarHBondContact O-N 3.24Å; L135-H138 VanDerWaalsContact O-N 3.1Å; L135-R142 HydrophobicContact CD2-CB 4.27Å
136Y95.5Very high91.8Very high103 Ų10389 Ų8940%0.40447%0.465SS..Hα-helixtrans-60.7-35.7178.5178.2-110000113.8N89 D90 L132 H138N89-Y136 HydrophobicContact CB-CD1 4.28Å; N89-Y136 HydrophobicContact CB-CD2 3.99Å; N89-Y136 HydrophobicContact CB-CE1 4.25Å; N89-Y136 HydrophobicContact CB-CE2 3.97Å; N89-Y136 HydrophobicContact CB-CG 4.16Å; D90-Y136 WeakPolarHBondContact O-CE2 3.28Å; L132-Y136 WeakPolarHBondContact O-CB 3.48Å; L132-Y136 PolarHBondContact O-N 3.22Å; Y136-H138 VanDerWaalsContact C-N 3.32Å
137T96.5Very high91.6Very high61 Ų6188.9 Ų88.937%0.37447%0.469SS..THydrogen-bonded Turntrans-92.59.6178.752.50000113.1K133 L135 K139K133-T137 WeakPolarHBondContact O-CB 3.49Å; K133-T137 WeakPolarHBondContact O-CG2 3.49Å; K133-T137 PolarHBondContact O-N 3.22Å; K133-T137 PolarHBondContact O-OG1 3.26Å; L135-T137 VanDerWaalsContact C-N 3.31Å; L135-T137 PolarHBondContact O-N 2.95Å; T137-K139 PolarHBondContact O-N 3.41Å
138H93.6Very high91.3Very high160 Ų16093.7 Ų93.774%0.74149%0.494SS*.THydrogen-bonded Turntrans54.124.7-178.2-54.9-78.6000114.5A134 L135 Y136 K140A134-H138 PolarHBondContact O-N 2.9Å; L135-H138 PolarHBondContact O-N 3.24Å; L135-H138 VanDerWaalsContact O-N 3.1Å; Y136-H138 VanDerWaalsContact C-N 3.32Å; H138-K140 VanDerWaalsContact C-N 3.34Å
139K95.1Very high91.2Very high170 Ų17097.3 Ų97.374%0.73951%0.507SS*.SBendtrans-80-21.2176.2-70.6-172176.4-167.40112.8A134 T137A134-K139 HydrophobicContact CB-CB 4.49Å; A134-K139 PolarHBondContact O-N 2.99Å; T137-K139 PolarHBondContact O-N 3.41Å
140K94Very high91.1Very high134 Ų13499.3 Ų99.358%0.58350%0.496SS*.SBendtrans-141.7149.1175-71.4-165.6171.1-163.20108.6V130 A134 H138V130-K140 HydrophobicContact CG1-CB 3.82Å; V130-K140 HydrophobicContact CG1-CD 3.98Å; A134-K140 HydrophobicContact CB-CB 4.13Å; A134-K140 HydrophobicContact CB-CD 4.46Å; A134-K140 HydrophobicContact CB-CG 4.22Å; A134-K140 PolarHBondContact O-N 3.41Å; H138-K140 VanDerWaalsContact C-N 3.34Å
141E91.1Very high90.8Very high170 Ų170104.6 Ų104.679%0.79452%0.522SS*.PPolyproline II helixtrans-94.3160.8170.3-62.3-174.3168.500110.5
142R88.2Confident90.4Very high74 Ų74108.9 Ų108.928%0.27954%0.537SS..PPolyproline II helixtrans-69.4128.7173.5-174.1175.4175.9-146.5-1.4108E97 D100 L135 R144E97-R142 VanDerWaalsContact CD-NH2 3.31Å; E97-R142 IonicContact OE1-CZ 3.79Å; E97-R142 IonicContact OE1-NH1 2.78Å; E97-R142 PolarHBondContact OE1-NH1 3.48Å; E97-R142 IonicContact OE1-NH2 3.89Å; E97-R142 IonicContact OE2-CZ 3.4Å; E97-R142 IonicContact OE2-NH1 3.1Å; E97-R142 PolarHBondContact OE2-NH1 2.96Å; E97-R142 VanDerWaalsContact OE2-NH1 3.1Å; E97-R142 IonicContact OE2-NH2 2.78Å; E97-R142 PolarHBondContact OE2-NH2 2.94Å; D100-R142 IonicContact OD1-NH2 2.98Å; D100-R142 PolarHBondContact OD1-NH2 3.19Å; D100-R142 IonicContact OD2-CZ 3.65Å; D100-R142 IonicContact OD2-NE 3.88Å; D100-R142 IonicContact OD2-NH2 3.01Å; D100-R142 PolarHBondContact OD2-NH2 3.36Å; L135-R142 HydrophobicContact CD2-CB 4.27Å; R142-R144 PolarHBondContact O-N 3.22Å
143P85.7Confident90Very high66 Ų66117 Ų11743%0.42958%0.577SS.*PPolyproline II helixtrans-63.9132.8174.821.6-24.3000108.5A128 V130 A145A128-P143 HydrophobicContact CB-CG 4.18Å; A128-P143 WeakPolarHBondContact O-CG 3.47Å; V130-P143 HydrophobicContact CG2-CG 4Å; P143-A145 PolarHBondContact O-N 2.99Å
144R76.3Confident89.5Confident238 Ų238114.3 Ų114.390%0.89857%0.571SS**PPolyproline II helixtrans-69.6127.8173.1-61.7-177.8-167.1179.13.1107.6R142R142-R144 PolarHBondContact O-N 3.22Å
145A65.9Low88.8Confident174 Ų174123.1 Ų123.1100%1.43861%0.609SS**  trans-75.70167.600000109.7P143P143-A145 PolarHBondContact O-N 2.99Å

Retrieved 145 of 145 residues in 111.1 ms (Link to these results)