A0A096MMR6_PAPAN Loading...

Mothers against decapentaplegic homolog

AlphaFold DB (Q5R6H7), UniProt , Accession A0A096MMR6, Species PAPAN (Papio anubis, Olive baboon), Gene SMAD5, Length 465 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
1M35.4Very low45.7Very low241 Ų241135.4 Ų135.4100%1.18775%0.752SS**  087.60-69.4-179.7-167.700108.7
2T33.5Very low49Very low144 Ų144126.7 Ų126.788%0.88371%0.707SS**  trans-167.4110164.67.80000110.2
3S40.5Very low52.2Low100 Ų100124.5 Ų124.570%0.69970%0.702SS**  trans66.885.6143.1-170.70000120.6A5S3-A5 PolarHBondContact O-N 3.31Å; S3-A5 WeakPolarHBondContact OG-CB 3.25Å
4M44Very low55Low188 Ų188116.9 Ų116.993%0.92666%0.662SS**  trans-78.233.9154.6-91.8-164-84.700112.8S6M4-S6 PolarHBondContact O-N 2.79Å
5A41.5Very low57.6Low87 Ų87109.1 Ų109.172%0.71962%0.618SS**THydrogen-bonded Turntrans-89.28.3-170.900000115.8S3S3-A5 PolarHBondContact O-N 3.31Å; S3-A5 WeakPolarHBondContact OG-CB 3.25Å
6S43.5Very low59.9Low112 Ų112110.1 Ų110.178%0.78361%0.614SS**THydrogen-bonded Turntrans-106.88.3-170.684.60000117.3M4M4-S6 PolarHBondContact O-N 2.79Å
7L39.6Very low61.9Low133 Ų133110.9 Ų110.970%0.69661%0.605SS**SBendtrans-98.7-1.6-167.4-76.5168.3000117.4
8F44.6Very low63.8Low181 Ų181104.8 Ų104.879%0.79457%0.572SS**  trans-139.573.8177.8-60.9-76.3000113.4F10F8-F10 HydrophobicContact CB-CD2 4.3Å; F8-F10 HydrophobicContact CB-CE2 4.16Å; F8-F10 PolarHBondContact O-N 3.25Å
9S50.5Low65.4Low81 Ų81101.2 Ų101.257%0.56655%0.552SS**  trans-76.3102.1159.866.50000108.7T11S9-T11 PolarHBondContact O-N 3.06Å
10F60.6Low66.8Low198 Ų19899.5 Ų99.587%0.86856%0.558SS**  trans-71.766.7171.5-84.9-90.1000110.6F8 S12F8-F10 HydrophobicContact CB-CD2 4.3Å; F8-F10 HydrophobicContact CB-CE2 4.16Å; F8-F10 PolarHBondContact O-N 3.25Å; F10-S12 PolarHBondContact O-N 2.93Å
11T69.5Low68.2Low24 Ų2498.1 Ų98.115%0.14754%0.544CS..  trans-71.8127165.440.70000108.6S9 V15 K16 E32S9-T11 PolarHBondContact O-N 3.06Å; T11-V15 HydrophobicContact CG2-CG1 4.42Å; T11-K16 WeakPolarHBondContact OG1-CE 3.46Å; T11-K16 VanDerWaalsContact OG1-CG 3.28Å; T11-K16 WeakPolarHBondContact OG1-CG 3.18Å; T11-E32 HydrophobicContact CG2-CG 3.8Å; T11-E32 WeakPolarHBondContact CG2-OE1 3.36Å
12S84.6Confident71Confident31 Ų3188.6 Ų88.622%0.21750%0.496CS..  trans-58.3147.7178.977.40000110.5F10 A14 V15 K16F10-S12 PolarHBondContact O-N 2.93Å; S12-A14 PolarHBondContact O-N 3.14Å; S12-A14 VanDerWaalsContact O-N 3.08Å; S12-V15 WeakPolarHBondContact O-CA 3.42Å; S12-V15 WeakPolarHBondContact O-CB 3.46Å; S12-V15 PolarHBondContact O-N 2.78Å; S12-V15 VanDerWaalsContact OG-CG2 3.3Å; S12-V15 WeakPolarHBondContact OG-CG2 3.28Å; S12-V15 PolarHBondContact OG-N 3.29Å; S12-K16 PolarHBondContact O-N 2.91Å
13P90.9Very high73.9Confident98 Ų9886.1 Ų86.164%0.63648%0.475SS*.Hα-helixtrans-53.2-34.6-179.3-28.935.1000113.7K16 R17P13-K16 PolarHBondContact O-N 3.15Å; P13-R17 WeakPolarHBondContact O-CB 3.32Å; P13-R17 PolarHBondContact O-N 2.84Å
14A92Very high76.1Confident18 Ų1883.2 Ų83.215%0.14946%0.461CS..Hα-helixtrans-64.5-40.5175.100000112.8S12 R17 L18 V39 M49S12-A14 PolarHBondContact O-N 3.14Å; S12-A14 VanDerWaalsContact O-N 3.08Å; A14-R17 PolarHBondContact O-N 2.8Å; A14-L18 WeakPolarHBondContact O-CG 3.46Å; A14-L18 PolarHBondContact O-N 3.39Å; A14-V39 HydrophobicContact CB-CG1 4.04Å; A14-V39 HydrophobicContact CB-CG2 4.41Å; A14-M49 HydrophobicContact CB-CE 3.86Å
15V94.1Very high77.8Confident0 Ų081.4 Ų81.40%046%0.455CS..Hα-helixtrans-66.9-46177.1172.60000110.1T11 S12 R17 L18 L19 V35 D36 V39T11-V15 HydrophobicContact CG2-CG1 4.42Å; S12-V15 WeakPolarHBondContact O-CA 3.42Å; S12-V15 WeakPolarHBondContact O-CB 3.46Å; S12-V15 PolarHBondContact O-N 2.78Å; S12-V15 VanDerWaalsContact OG-CG2 3.3Å; S12-V15 WeakPolarHBondContact OG-CG2 3.28Å; S12-V15 PolarHBondContact OG-N 3.29Å; V15-R17 VanDerWaalsContact C-N 3.28Å; V15-R17 PolarHBondContact O-N 3.43Å; V15-L18 PolarHBondContact O-N 3.3Å; V15-L19 HydrophobicContact CG1-CD1 3.63Å; V15-L19 HydrophobicContact CG1-CG 4.19Å; V15-L19 WeakPolarHBondContact O-CB 3.28Å; V15-L19 VanDerWaalsContact O-CG 3.26Å; V15-L19 WeakPolarHBondContact O-CG 2.92Å; V15-L19 PolarHBondContact O-N 3.28Å; V15-V35 HydrophobicContact CB-CG1 4.31Å; V15-V35 HydrophobicContact CG1-CB 4.32Å; V15-V35 HydrophobicContact CG1-CG1 3.93Å; V15-V35 HydrophobicContact CG2-CG1 4.33Å; V15-D36 HydrophobicContact CG2-CB 4.17Å; V15-V39 HydrophobicContact CG2-CB 4.09Å; V15-V39 HydrophobicContact CG2-CG1 4.44Å; V15-V39 HydrophobicContact CG2-CG2 3.78Å
16K93Very high79.4Confident126 Ų12685.7 Ų85.755%0.54846%0.46SS..Hα-helixtrans-56.3-43.5175.2-69.3-170.8178.9-175.20111.9T11 S12 P13 L19 G20T11-K16 WeakPolarHBondContact OG1-CE 3.46Å; T11-K16 VanDerWaalsContact OG1-CG 3.28Å; T11-K16 WeakPolarHBondContact OG1-CG 3.18Å; S12-K16 PolarHBondContact O-N 2.91Å; P13-K16 PolarHBondContact O-N 3.15Å; K16-L19 PolarHBondContact O-N 3.23Å; K16-G20 PolarHBondContact O-N 3.09Å
17R93.9Very high81.3Confident124 Ų12483.6 Ų83.647%0.46844%0.438SS..Hα-helixtrans-62.2-51.7177.9-165.2-172.8-61.1138-2.1111.5P13 A14 V15 L19 G20 W21 E53P13-R17 WeakPolarHBondContact O-CB 3.32Å; P13-R17 PolarHBondContact O-N 2.84Å; A14-R17 PolarHBondContact O-N 2.8Å; V15-R17 VanDerWaalsContact C-N 3.28Å; V15-R17 PolarHBondContact O-N 3.43Å; R17-L19 VanDerWaalsContact C-N 3.29Å; R17-L19 PolarHBondContact O-N 3.32Å; R17-G20 PolarHBondContact O-N 2.75Å; R17-W21 HydrophobicContact CG-CH2 3.93Å; R17-W21 HydrophobicContact CG-CZ3 3.95Å; R17-W21 WeakPolarHBondContact O-CZ3 3.41Å; R17-E53 VanDerWaalsContact CD-CD 3.45Å; R17-E53 WeakPolarHBondContact CD-OE1 3.44Å; R17-E53 VanDerWaalsContact CD-OE2 3.31Å; R17-E53 WeakPolarHBondContact CD-OE2 3.35Å; R17-E53 IonicContact CZ-OE1 2.9Å; R17-E53 IonicContact CZ-OE2 3.73Å; R17-E53 IonicContact NE-OE1 2.87Å; R17-E53 IonicContact NE-OE2 3.9Å; R17-E53 IonicContact NH1-OE1 3.27Å; R17-E53 PolarHBondContact NH1-OE1 2.92Å; R17-E53 IonicContact NH1-OE2 3.68Å; R17-E53 PolarHBondContact NH1-OE2 3.2Å
18L96.1Very high83.5Confident0 Ų083.4 Ų83.40%043%0.433CS..Hα-helixtrans-63.9-31.6180-73.7180000113.7A14 V15 G20 W21 V35 V39 M49 L52 E53 L56 W93A14-L18 WeakPolarHBondContact O-CG 3.46Å; A14-L18 PolarHBondContact O-N 3.39Å; V15-L18 PolarHBondContact O-N 3.3Å; L18-G20 PolarHBondContact O-N 3.16Å; L18-W21 HydrophobicContact CD2-CE3 4.37Å; L18-W21 HydrophobicContact CD2-CZ3 4.06Å; L18-W21 PolarHBondContact O-N 3.49Å; L18-V35 HydrophobicContact CB-CG1 3.6Å; L18-V35 HydrophobicContact CD1-CG1 3.97Å; L18-V35 HydrophobicContact CG-CG1 4.46Å; L18-V39 HydrophobicContact CD1-CG2 3.65Å; L18-M49 HydrophobicContact CD1-CE 3.78Å; L18-M49 HydrophobicContact CD1-SD 4.32Å; L18-M49 HydrophobicContact CG-CE 4.27Å; L18-L52 HydrophobicContact CD1-CD2 4.06Å; L18-L52 HydrophobicContact CD2-CD2 3.88Å; L18-L52 HydrophobicContact CD2-CG 4.09Å; L18-E53 HydrophobicContact CD2-CG 4.01Å; L18-L56 HydrophobicContact CD2-CD1 3.74Å; L18-W93 HydrophobicContact CB-CZ2 4.32Å; L18-W93 PolarHBondContact O-NE1 2.95Å
19L95.2Very high85.7Confident37 Ų3782.9 Ų82.919%0.19443%0.431CS..Hα-helixtrans-69.4-19173.2-72.4169.5000112.8V15 K16 R17 W21 K22 A31 E32 V35V15-L19 HydrophobicContact CG1-CD1 3.63Å; V15-L19 HydrophobicContact CG1-CG 4.19Å; V15-L19 WeakPolarHBondContact O-CB 3.28Å; V15-L19 VanDerWaalsContact O-CG 3.26Å; V15-L19 WeakPolarHBondContact O-CG 2.92Å; V15-L19 PolarHBondContact O-N 3.28Å; K16-L19 PolarHBondContact O-N 3.23Å; R17-L19 VanDerWaalsContact C-N 3.29Å; R17-L19 PolarHBondContact O-N 3.32Å; L19-W21 PolarHBondContact O-N 3.5Å; L19-K22 HydrophobicContact CD2-CD 4.33Å; L19-K22 WeakPolarHBondContact O-CB 3.25Å; L19-K22 PolarHBondContact O-N 3.19Å; L19-A31 HydrophobicContact CD2-CB 4.33Å; L19-E32 HydrophobicContact CD1-CB 4.2Å; L19-E32 HydrophobicContact CD1-CG 4.05Å; L19-V35 HydrophobicContact CD2-CB 4.2Å; L19-V35 HydrophobicContact CD2-CG2 3.81Å; L19-V35 HydrophobicContact CG-CB 4.4Å; L19-V35 HydrophobicContact CG-CG1 4.4Å; L19-V35 HydrophobicContact CG-CG2 4.37Å
20G93.9Very high87.7Confident66 Ų6680.8 Ų80.868%0.6841%0.41SS*.THydrogen-bonded Turntrans-63.3-18.2175.100000114.5K16 R17 L18K16-G20 PolarHBondContact O-N 3.09Å; R17-G20 PolarHBondContact O-N 2.75Å; L18-G20 PolarHBondContact O-N 3.16Å
21W95.1Very high89.3Confident71 Ų7171.5 Ų71.527%0.26937%0.37SS..THydrogen-bonded Turntrans-101.43.8173.6-62.3-81.2000113.6R17 L18 L19 Q23 E53 L56R17-W21 HydrophobicContact CG-CH2 3.93Å; R17-W21 HydrophobicContact CG-CZ3 3.95Å; R17-W21 WeakPolarHBondContact O-CZ3 3.41Å; L18-W21 HydrophobicContact CD2-CE3 4.37Å; L18-W21 HydrophobicContact CD2-CZ3 4.06Å; L18-W21 PolarHBondContact O-N 3.49Å; L19-W21 PolarHBondContact O-N 3.5Å; W21-Q23 PolarHBondContact O-NE2 3.43Å; W21-E53 HydrophobicContact CH2-CB 4.33Å; W21-E53 HydrophobicContact CH2-CG 4.22Å; W21-E53 HydrophobicContact CZ3-CG 4.3Å; W21-L56 HydrophobicContact CB-CB 4.28Å; W21-L56 HydrophobicContact CB-CD1 4.38Å; W21-L56 HydrophobicContact CD2-CB 3.67Å; W21-L56 HydrophobicContact CD2-CD1 4.2Å; W21-L56 HydrophobicContact CE3-CB 4.03Å; W21-L56 HydrophobicContact CE3-CD1 3.8Å; W21-L56 HydrophobicContact CG-CB 3.78Å; W21-L56 HydrophobicContact CG-CD1 4.46Å; W21-L56 HydrophobicContact CZ3-CD1 4.44Å; W21-L56 PolarHBondContact NE1-O 3.28Å
22K94.7Very high90.5Very high41 Ų4173.1 Ų73.118%0.17838%0.376CS..  trans-58.7139.7179.9-177.7-178.775.379.30110.1L19 G24 A31 V92L19-K22 HydrophobicContact CD2-CD 4.33Å; L19-K22 WeakPolarHBondContact O-CB 3.25Å; L19-K22 PolarHBondContact O-N 3.19Å; K22-G24 PolarHBondContact NZ-O 2.79Å; K22-A31 HydrophobicContact CD-CB 3.48Å; K22-A31 VanDerWaalsContact CD-CB 3.48Å; K22-A31 HydrophobicContact CG-CB 4.37Å; K22-V92 CarbonylContact C-O 3.49Å; K22-V92 WeakPolarHBondContact CA-O 2.85Å; K22-V92 HydrophobicContact CG-CG1 4.29Å
23Q93.3Very high90.9Very high93 Ų9376.7 Ų76.744%0.43539%0.388SS..  trans-100.2145.2174.9-60.2-59.5-4600110.9W21 V92 W93 P96W21-Q23 PolarHBondContact O-NE2 3.43Å; Q23-V92 PolarHBondContact N-O 3.14Å; Q23-W93 WeakPolarHBondContact CG-O 3.41Å; Q23-P96 HydrophobicContact CB-CG 3.52Å; Q23-P96 VanDerWaalsContact O-CG 3.29Å; Q23-P96 WeakPolarHBondContact O-CG 3.29Å
24G87.6Confident91.2Very high39 Ų3972 Ų7240%0.40236%0.358SS..SBendtrans68.2165.8-179.800000113.8K22K22-G24 PolarHBondContact NZ-O 2.79Å
25D80Confident91.4Very high150 Ų15071.2 Ų71.280%0.80235%0.35SS*.SBendtrans-105.1-15.1-179.4-66-35.1000113.6
26E75.8Confident91.4Very high177 Ų17773.8 Ų73.883%0.82736%0.364SS*.THydrogen-bonded Turntrans-69.1146.1-179.2-59.7-165.8151.200112.1E28E26-E28 PolarHBondContact O-N 2.89Å
27E82.2Confident91.4Very high67 Ų6768.9 Ų68.931%0.31335%0.348SS..THydrogen-bonded Turntrans57.436.1176.2-50.3-163.713900115.5K29 W30 A31 R81 R91E27-K29 VanDerWaalsContact C-N 3.32Å; E27-K29 PolarHBondContact O-N 3.4Å; E27-W30 HydrophobicContact CB-CB 3.99Å; E27-W30 WeakPolarHBondContact O-CA 3.17Å; E27-W30 WeakPolarHBondContact O-CB 3.36Å; E27-W30 PolarHBondContact O-N 3.3Å; E27-A31 PolarHBondContact O-N 3.46Å; E27-R81 IonicContact OE1-CZ 2.66Å; E27-R81 VanDerWaalsContact OE1-CZ 3.27Å; E27-R81 IonicContact OE1-NH1 2.84Å; E27-R81 PolarHBondContact OE1-NH1 2.8Å; E27-R81 IonicContact OE1-NH2 2.76Å; E27-R81 PolarHBondContact OE1-NH2 3.31Å; E27-R81 IonicContact OE2-NH1 2.85Å; E27-R81 PolarHBondContact OE2-NH1 3.15Å; E27-R91 IonicContact OE2-NH2 2.77Å
28E86.6Confident91.5Very high129 Ų12963 Ų6360%0.60333%0.325SS*.Hα-helixtrans-49.3-47.8-180-172.9179.9-166.800113.5E26 W30 A31 E32E26-E28 PolarHBondContact O-N 2.89Å; E28-W30 PolarHBondContact O-N 2.89Å; E28-A31 PolarHBondContact O-N 3.21Å; E28-A31 VanDerWaalsContact O-N 3.15Å; E28-E32 PolarHBondContact O-N 3.22Å
29K90.7Very high91.5Very high170 Ų17063.1 Ų63.174%0.73933%0.326SS*.Hα-helixtrans-59.8-30176.8-68.7-178.5179.9175.50113.2E27 K33E27-K29 VanDerWaalsContact C-N 3.32Å; E27-K29 PolarHBondContact O-N 3.4Å; K29-K33 VanDerWaalsContact O-CG 3.3Å; K29-K33 WeakPolarHBondContact O-CG 3.48Å; K29-K33 PolarHBondContact O-N 2.79Å
30W92.4Very high91.4Very high37 Ų3767.4 Ų67.414%0.1434%0.343CS..Hα-helixtrans-76.2-44.6176.6172.685.8000110.6E27 E28 E32 K33 A34 I88 V92E27-W30 HydrophobicContact CB-CB 3.99Å; E27-W30 WeakPolarHBondContact O-CA 3.17Å; E27-W30 WeakPolarHBondContact O-CB 3.36Å; E27-W30 PolarHBondContact O-N 3.3Å; E28-W30 PolarHBondContact O-N 2.89Å; W30-E32 VanDerWaalsContact C-N 3.34Å; W30-E32 PolarHBondContact O-N 3.06Å; W30-K33 PolarHBondContact O-N 3.36Å; W30-A34 WeakPolarHBondContact O-CB 3.48Å; W30-A34 PolarHBondContact O-N 2.9Å; W30-I88 HydrophobicContact CH2-CB 4.47Å; W30-I88 HydrophobicContact CH2-CG2 3.86Å; W30-I88 HydrophobicContact CZ2-CB 4.48Å; W30-I88 HydrophobicContact CZ2-CG1 4.25Å; W30-I88 HydrophobicContact CZ2-CG2 3.89Å; W30-V92 HydrophobicContact CH2-CG2 4.12Å; W30-V92 HydrophobicContact CZ3-CG2 3.71Å
31A93.9Very high91.4Very high3 Ų367.8 Ų67.83%0.02533%0.326CS..Hα-helixtrans-61-4317700000111.5L19 K22 E27 E28 K33 A34 V35 V92L19-A31 HydrophobicContact CD2-CB 4.33Å; K22-A31 HydrophobicContact CD-CB 3.48Å; K22-A31 VanDerWaalsContact CD-CB 3.48Å; K22-A31 HydrophobicContact CG-CB 4.37Å; E27-A31 PolarHBondContact O-N 3.46Å; E28-A31 PolarHBondContact O-N 3.21Å; E28-A31 VanDerWaalsContact O-N 3.15Å; A31-K33 PolarHBondContact O-N 3.11Å; A31-A34 WeakPolarHBondContact O-CB 3.36Å; A31-A34 PolarHBondContact O-N 3.17Å; A31-A34 VanDerWaalsContact O-N 3.17Å; A31-V35 WeakPolarHBondContact O-CG2 3.38Å; A31-V35 PolarHBondContact O-N 3.01Å; A31-V92 HydrophobicContact CB-CG2 4.31Å
32E94.4Very high91.4Very high59 Ų5964.4 Ų64.428%0.27631%0.313SS..Hα-helixtrans-56.7-47.9174.9-172.9-170.3159.300111.7T11 L19 E28 W30 A34 V35 D36T11-E32 HydrophobicContact CG2-CG 3.8Å; T11-E32 WeakPolarHBondContact CG2-OE1 3.36Å; L19-E32 HydrophobicContact CD1-CB 4.2Å; L19-E32 HydrophobicContact CD1-CG 4.05Å; E28-E32 PolarHBondContact O-N 3.22Å; W30-E32 VanDerWaalsContact C-N 3.34Å; W30-E32 PolarHBondContact O-N 3.06Å; E32-A34 PolarHBondContact O-N 3.34Å; E32-V35 PolarHBondContact O-N 2.8Å; E32-D36 WeakPolarHBondContact O-CB 3.45Å; E32-D36 PolarHBondContact O-N 2.86Å
33K94.3Very high91.4Very high106 Ų10669.4 Ų69.446%0.46134%0.335SS..Hα-helixtrans-64.8-36.9176.4-72.8178179.8178.20112.7K29 W30 A31 A37 V78 S79K29-K33 VanDerWaalsContact O-CG 3.3Å; K29-K33 WeakPolarHBondContact O-CG 3.48Å; K29-K33 PolarHBondContact O-N 2.79Å; W30-K33 PolarHBondContact O-N 3.36Å; A31-K33 PolarHBondContact O-N 3.11Å; K33-A37 WeakPolarHBondContact O-CB 3.33Å; K33-A37 PolarHBondContact O-N 3.36Å; K33-V78 HydrophobicContact CB-CG1 3.94Å; K33-S79 PolarHBondContact NZ-OG 2.87Å
34A95.4Very high91.3Very high0 Ų073.9 Ų73.90%035%0.353CS..Hα-helixtrans-64.8-48177.200000110.9W30 A31 E32 A37 L38 V78 I88 Y89 V92W30-A34 WeakPolarHBondContact O-CB 3.48Å; W30-A34 PolarHBondContact O-N 2.9Å; A31-A34 WeakPolarHBondContact O-CB 3.36Å; A31-A34 PolarHBondContact O-N 3.17Å; A31-A34 VanDerWaalsContact O-N 3.17Å; E32-A34 PolarHBondContact O-N 3.34Å; A34-A37 PolarHBondContact O-N 2.92Å; A34-L38 PolarHBondContact O-N 2.97Å; A34-V78 HydrophobicContact CB-CG1 3.89Å; A34-V78 HydrophobicContact CB-CG2 4.18Å; A34-I88 HydrophobicContact CB-CG2 3.91Å; A34-Y89 PolarHBondContact O-OH 3.2Å; A34-V92 HydrophobicContact CB-CG2 4.43Å
35V96.3Very high91.5Very high0 Ų076.1 Ų76.10%035%0.352CS..Hα-helixtrans-67.1-40.3179.1175.90000111.1V15 L18 L19 A31 E32 A37 L38 V39 V92 W93V15-V35 HydrophobicContact CB-CG1 4.31Å; V15-V35 HydrophobicContact CG1-CB 4.32Å; V15-V35 HydrophobicContact CG1-CG1 3.93Å; V15-V35 HydrophobicContact CG2-CG1 4.33Å; L18-V35 HydrophobicContact CB-CG1 3.6Å; L18-V35 HydrophobicContact CD1-CG1 3.97Å; L18-V35 HydrophobicContact CG-CG1 4.46Å; L19-V35 HydrophobicContact CD2-CB 4.2Å; L19-V35 HydrophobicContact CD2-CG2 3.81Å; L19-V35 HydrophobicContact CG-CB 4.4Å; L19-V35 HydrophobicContact CG-CG1 4.4Å; L19-V35 HydrophobicContact CG-CG2 4.37Å; A31-V35 WeakPolarHBondContact O-CG2 3.38Å; A31-V35 PolarHBondContact O-N 3.01Å; E32-V35 PolarHBondContact O-N 2.8Å; V35-A37 PolarHBondContact O-N 3.12Å; V35-L38 WeakPolarHBondContact O-CB 3.33Å; V35-L38 PolarHBondContact O-N 3.16Å; V35-L38 VanDerWaalsContact O-N 3.16Å; V35-V39 HydrophobicContact CG1-CG2 4.28Å; V35-V39 WeakPolarHBondContact O-CG2 3.32Å; V35-V39 PolarHBondContact O-N 3.47Å; V35-V92 HydrophobicContact CG2-CG1 4.09Å; V35-W93 HydrophobicContact CG2-CZ2 4.1Å
36D94.7Very high92.1Very high54 Ų5479.3 Ų79.329%0.28936%0.358SS..Hα-helixtrans-59.3-45.2173.7179.769.3000112.3V15 E32 L38 V39 K40V15-D36 HydrophobicContact CG2-CB 4.17Å; E32-D36 WeakPolarHBondContact O-CB 3.45Å; E32-D36 PolarHBondContact O-N 2.86Å; D36-L38 VanDerWaalsContact C-N 3.29Å; D36-L38 PolarHBondContact O-N 2.93Å; D36-V39 PolarHBondContact O-N 3.4Å; D36-K40 WeakPolarHBondContact O-CG 3.2Å; D36-K40 PolarHBondContact O-N 3.31Å; D36-K40 IonicContact OD1-NZ 3.23Å; D36-K40 VanDerWaalsContact OD2-CE 3.29Å; D36-K40 WeakPolarHBondContact OD2-CE 3.45Å; D36-K40 IonicContact OD2-NZ 2.68Å; D36-K40 PolarHBondContact OD2-NZ 3.02Å
37A93.5Very high93Very high24 Ų2472.3 Ų72.320%0.19833%0.334CS..Hα-helixtrans-62.5-36175.500000112.4K33 A34 V35K33-A37 WeakPolarHBondContact O-CB 3.33Å; K33-A37 PolarHBondContact O-N 3.36Å; A34-A37 PolarHBondContact O-N 2.92Å; V35-A37 PolarHBondContact O-N 3.12Å
38L96.2Very high93.6Very high0 Ų069.5 Ų69.50%032%0.322CS..Hα-helixtrans-67-50.5175.5-175.159.2000112.2A34 V35 D36 K40 K41 L42 L52 I68 Y89 W93 I123A34-L38 PolarHBondContact O-N 2.97Å; V35-L38 WeakPolarHBondContact O-CB 3.33Å; V35-L38 PolarHBondContact O-N 3.16Å; V35-L38 VanDerWaalsContact O-N 3.16Å; D36-L38 VanDerWaalsContact C-N 3.29Å; D36-L38 PolarHBondContact O-N 2.93Å; L38-K40 PolarHBondContact O-N 2.87Å; L38-K41 CarbonylContact O-C 3.49Å; L38-K41 WeakPolarHBondContact O-CA 3.45Å; L38-K41 WeakPolarHBondContact O-CB 3.36Å; L38-K41 PolarHBondContact O-N 2.96Å; L38-L42 HydrophobicContact CD1-CD1 3.96Å; L38-L42 HydrophobicContact CD1-CD2 4.09Å; L38-L42 HydrophobicContact CD1-CG 3.79Å; L38-L42 HydrophobicContact CD2-CD1 3.89Å; L38-L42 HydrophobicContact CG-CD1 3.65Å; L38-L42 HydrophobicContact CG-CG 3.86Å; L38-L42 PolarHBondContact O-N 3.47Å; L38-L52 HydrophobicContact CD2-CD2 3.79Å; L38-I68 HydrophobicContact CD1-CG2 3.71Å; L38-Y89 HydrophobicContact CB-CE1 3.66Å; L38-Y89 VanDerWaalsContact CB-OH 3.3Å; L38-Y89 WeakPolarHBondContact CB-OH 3.21Å; L38-Y89 HydrophobicContact CD1-CE1 4.26Å; L38-Y89 HydrophobicContact CD1-CE2 3.87Å; L38-Y89 HydrophobicContact CD2-CD1 3.89Å; L38-Y89 HydrophobicContact CD2-CE1 3.63Å; L38-Y89 HydrophobicContact CD2-CE2 4.46Å; L38-Y89 HydrophobicContact CD2-CG 4.44Å; L38-Y89 HydrophobicContact CG-CE1 4.03Å; L38-W93 HydrophobicContact CD2-CH2 3.43Å; L38-W93 VanDerWaalsContact CD2-CH2 3.43Å; L38-W93 HydrophobicContact CD2-CZ2 4.39Å; L38-W93 HydrophobicContact CD2-CZ3 4.17Å; L38-I123 HydrophobicContact CD1-CD1 4.15Å; L38-I123 HydrophobicContact CD1-CG1 4.07Å; L38-I123 HydrophobicContact CD2-CD1 4.01Å
39V95.6Very high94Very high2 Ų264.3 Ų64.31%0.01230%0.298CS..Hα-helixtrans-57.1-39.3-176.4168.20000110.5A14 V15 L18 V35 D36 K41 L42 K43 M49A14-V39 HydrophobicContact CB-CG1 4.04Å; A14-V39 HydrophobicContact CB-CG2 4.41Å; V15-V39 HydrophobicContact CG2-CB 4.09Å; V15-V39 HydrophobicContact CG2-CG1 4.44Å; V15-V39 HydrophobicContact CG2-CG2 3.78Å; L18-V39 HydrophobicContact CD1-CG2 3.65Å; V35-V39 HydrophobicContact CG1-CG2 4.28Å; V35-V39 WeakPolarHBondContact O-CG2 3.32Å; V35-V39 PolarHBondContact O-N 3.47Å; D36-V39 PolarHBondContact O-N 3.4Å; V39-K41 VanDerWaalsContact C-N 3.26Å; V39-K41 PolarHBondContact O-N 2.93Å; V39-L42 PolarHBondContact O-N 3.15Å; V39-K43 HydrophobicContact CG1-CD 4.18Å; V39-K43 HydrophobicContact CG1-CG 4.4Å; V39-K43 WeakPolarHBondContact O-CB 3.34Å; V39-K43 VanDerWaalsContact O-CG 3.27Å; V39-K43 WeakPolarHBondContact O-CG 3.34Å; V39-K43 PolarHBondContact O-N 3.22Å; V39-M49 HydrophobicContact CG1-SD 4.47Å; V39-M49 HydrophobicContact CG2-CE 4.12Å; V39-M49 HydrophobicContact CG2-SD 4.14Å
40K93.2Very high94.2Very high127 Ų12762 Ų6255%0.55229%0.29SS*.Hα-helixtrans-60.1-32174-72.9168.2177.8162.60113.4D36 L38D36-K40 WeakPolarHBondContact O-CG 3.2Å; D36-K40 PolarHBondContact O-N 3.31Å; D36-K40 IonicContact OD1-NZ 3.23Å; D36-K40 VanDerWaalsContact OD2-CE 3.29Å; D36-K40 WeakPolarHBondContact OD2-CE 3.45Å; D36-K40 IonicContact OD2-NZ 2.68Å; D36-K40 PolarHBondContact OD2-NZ 3.02Å; L38-K40 PolarHBondContact O-N 2.87Å
41K93.9Very high94.3Very high74 Ų7462.1 Ų62.132%0.32229%0.292SS..Hα-helixtrans-81.7-45.2177-67.5174-177.3-75.90111.5L38 V39 K43 K44 I68L38-K41 CarbonylContact O-C 3.49Å; L38-K41 WeakPolarHBondContact O-CA 3.45Å; L38-K41 WeakPolarHBondContact O-CB 3.36Å; L38-K41 PolarHBondContact O-N 2.96Å; V39-K41 VanDerWaalsContact C-N 3.26Å; V39-K41 PolarHBondContact O-N 2.93Å; K41-K43 VanDerWaalsContact C-N 3.31Å; K41-K43 PolarHBondContact O-N 3.42Å; K41-K44 WeakPolarHBondContact O-CB 3.04Å; K41-K44 PolarHBondContact O-N 3.25Å; K41-K44 VanDerWaalsContact O-N 3.13Å; K41-I68 HydrophobicContact CB-CG2 4.19Å; K41-I68 HydrophobicContact CD-CB 4.37Å; K41-I68 HydrophobicContact CD-CD1 4.22Å; K41-I68 HydrophobicContact CD-CG2 4.31Å
42L95.5Very high94.5Very high1 Ų162 Ų621%0.00529%0.291CS..Hα-helixtrans-66.7-31.4-178.4-63.6-176.4000112.6L38 V39 K44 K45 A48 M49 L52 V66 I68L38-L42 HydrophobicContact CD1-CD1 3.96Å; L38-L42 HydrophobicContact CD1-CD2 4.09Å; L38-L42 HydrophobicContact CD1-CG 3.79Å; L38-L42 HydrophobicContact CD2-CD1 3.89Å; L38-L42 HydrophobicContact CG-CD1 3.65Å; L38-L42 HydrophobicContact CG-CG 3.86Å; L38-L42 PolarHBondContact O-N 3.47Å; V39-L42 PolarHBondContact O-N 3.15Å; L42-K44 PolarHBondContact O-N 3.45Å; L42-K45 PolarHBondContact O-N 3.26Å; L42-A48 HydrophobicContact CB-CB 4.46Å; L42-A48 HydrophobicContact CD2-CB 4.03Å; L42-M49 HydrophobicContact CB-CG 3.83Å; L42-M49 HydrophobicContact CB-SD 3.62Å; L42-M49 HydrophobicContact CD1-SD 3.71Å; L42-M49 HydrophobicContact CG-SD 4.3Å; L42-L52 HydrophobicContact CD1-CD2 3.59Å; L42-V66 HydrophobicContact CD1-CG1 4.25Å; L42-V66 HydrophobicContact CD2-CG1 3.76Å; L42-I68 HydrophobicContact CD2-CG2 4.09Å
43K93Very high94.6Very high146 Ų14661 Ų6164%0.63529%0.286SS*.THydrogen-bonded Turntrans-56.6-20172.2-80.1177.1176.8-177.60114.3V39 K41V39-K43 HydrophobicContact CG1-CD 4.18Å; V39-K43 HydrophobicContact CG1-CG 4.4Å; V39-K43 WeakPolarHBondContact O-CB 3.34Å; V39-K43 VanDerWaalsContact O-CG 3.27Å; V39-K43 WeakPolarHBondContact O-CG 3.34Å; V39-K43 PolarHBondContact O-N 3.22Å; K41-K43 VanDerWaalsContact C-N 3.31Å; K41-K43 PolarHBondContact O-N 3.42Å
44K92.6Very high94.6Very high187 Ų18761.9 Ų61.981%0.81329%0.29SS*.THydrogen-bonded Turntrans-83.9-12.6176.9-57.5-175.4179.5-172.20113.2K41 L42K41-K44 WeakPolarHBondContact O-CB 3.04Å; K41-K44 PolarHBondContact O-N 3.25Å; K41-K44 VanDerWaalsContact O-N 3.13Å; L42-K44 PolarHBondContact O-N 3.45Å
45K92.2Very high94.7Very high85 Ų8562 Ų6237%0.3729%0.291SS..SBendtrans-119107.3-178.5-170170.1-173164.90109.5L42 G47 A48 T67 E120L42-K45 PolarHBondContact O-N 3.26Å; K45-G47 PolarHBondContact O-N 3.38Å; K45-A48 HydrophobicContact CB-CB 3.9Å; K45-A48 HydrophobicContact CD-CB 4.28Å; K45-A48 HydrophobicContact CG-CB 4.03Å; K45-A48 WeakPolarHBondContact O-CB 3.15Å; K45-A48 PolarHBondContact O-N 2.67Å; K45-A48 VanDerWaalsContact O-N 3.14Å; K45-T67 PolarHBondContact NZ-OG1 3.02Å; K45-E120 IonicContact NZ-OE1 2.96Å; K45-E120 PolarHBondContact NZ-OE1 3.35Å; K45-E120 IonicContact NZ-OE2 2.73Å; K45-E120 PolarHBondContact NZ-OE2 3.37Å
46K92.2Very high94.7Very high217 Ų21762.1 Ų62.194%0.94329%0.291SS*.THydrogen-bonded Turntrans-55.3128.9-178.4-172179.3179.9-178.10110.6A48K46-A48 VanDerWaalsContact C-N 3.31Å; K46-A48 PolarHBondContact O-N 3.48Å
47G93.5Very high94.8Very high30 Ų3062.6 Ų62.631%0.30930%0.299SS..THydrogen-bonded Turntrans84.8-11.5178.800000115.5K45 M49 E50 E51K45-G47 PolarHBondContact O-N 3.38Å; G47-M49 VanDerWaalsContact C-N 3.34Å; G47-M49 PolarHBondContact O-N 2.77Å; G47-E50 WeakPolarHBondContact CA-OE2 3.46Å; G47-E50 PolarHBondContact O-N 2.87Å; G47-E51 VanDerWaalsContact O-CG 3.3Å; G47-E51 WeakPolarHBondContact O-CG 3.33Å; G47-E51 PolarHBondContact O-N 2.81Å
48A95.2Very high94.8Very high8 Ų863.8 Ų63.87%0.06631%0.306CS..Hα-helixtrans-71.7-28.9-17300000113.4L42 K45 K46 L52L42-A48 HydrophobicContact CB-CB 4.46Å; L42-A48 HydrophobicContact CD2-CB 4.03Å; K45-A48 HydrophobicContact CB-CB 3.9Å; K45-A48 HydrophobicContact CD-CB 4.28Å; K45-A48 HydrophobicContact CG-CB 4.03Å; K45-A48 WeakPolarHBondContact O-CB 3.15Å; K45-A48 PolarHBondContact O-N 2.67Å; K45-A48 VanDerWaalsContact O-N 3.14Å; K46-A48 VanDerWaalsContact C-N 3.31Å; K46-A48 PolarHBondContact O-N 3.48Å; A48-L52 WeakPolarHBondContact O-CB 3.05Å; A48-L52 PolarHBondContact O-N 3.04Å
49M94.7Very high94.5Very high20 Ų2067.8 Ų67.810%0.09933%0.332CS..Hα-helixtrans-69.1-45.9174.4-78.1-67.7-54.800110.7A14 L18 V39 L42 G47 L52 E53A14-M49 HydrophobicContact CB-CE 3.86Å; L18-M49 HydrophobicContact CD1-CE 3.78Å; L18-M49 HydrophobicContact CD1-SD 4.32Å; L18-M49 HydrophobicContact CG-CE 4.27Å; V39-M49 HydrophobicContact CG1-SD 4.47Å; V39-M49 HydrophobicContact CG2-CE 4.12Å; V39-M49 HydrophobicContact CG2-SD 4.14Å; L42-M49 HydrophobicContact CB-CG 3.83Å; L42-M49 HydrophobicContact CB-SD 3.62Å; L42-M49 HydrophobicContact CD1-SD 3.71Å; L42-M49 HydrophobicContact CG-SD 4.3Å; G47-M49 VanDerWaalsContact C-N 3.34Å; G47-M49 PolarHBondContact O-N 2.77Å; M49-L52 WeakPolarHBondContact O-CB 3.22Å; M49-L52 PolarHBondContact O-N 3.17Å; M49-E53 WeakPolarHBondContact O-CG 3.35Å; M49-E53 PolarHBondContact O-N 2.92Å
50E94.8Very high93.9Very high121 Ų12171 Ų7157%0.56537%0.366SS*.Hα-helixtrans-65.6-41.2-179-62.778.4-176.400111.3G47 L52 E53 K54G47-E50 WeakPolarHBondContact CA-OE2 3.46Å; G47-E50 PolarHBondContact O-N 2.87Å; E50-L52 VanDerWaalsContact C-N 3.32Å; E50-L52 PolarHBondContact O-N 3.02Å; E50-E53 PolarHBondContact O-N 3.44Å; E50-K54 VanDerWaalsContact O-CB 3.32Å; E50-K54 WeakPolarHBondContact O-CB 3.31Å; E50-K54 PolarHBondContact O-N 2.98Å
51E95.6Very high93.8Very high41 Ų4171.2 Ų71.219%0.19237%0.369CS..Hα-helixtrans-65.2-35.5174.7-69-74.4-178.200111.9G47 A55 K64 V66G47-E51 VanDerWaalsContact O-CG 3.3Å; G47-E51 WeakPolarHBondContact O-CG 3.33Å; G47-E51 PolarHBondContact O-N 2.81Å; E51-A55 WeakPolarHBondContact O-CB 3.4Å; E51-A55 PolarHBondContact O-N 2.76Å; E51-K64 WeakPolarHBondContact OE1-CD 3.5Å; E51-K64 WeakPolarHBondContact OE1-CE 3.38Å; E51-K64 IonicContact OE1-NZ 2.8Å; E51-K64 PolarHBondContact OE1-NZ 3.23Å; E51-V66 HydrophobicContact CB-CG2 4.14Å
52L97.1Very high93.8Very high0 Ų073 Ų730%039%0.388CS..Hα-helixtrans-68.2-46.7173.9-177.660.6000112L18 L38 L42 A48 M49 E50 K54 A55 L56 V66 W93 I123L18-L52 HydrophobicContact CD1-CD2 4.06Å; L18-L52 HydrophobicContact CD2-CD2 3.88Å; L18-L52 HydrophobicContact CD2-CG 4.09Å; L38-L52 HydrophobicContact CD2-CD2 3.79Å; L42-L52 HydrophobicContact CD1-CD2 3.59Å; A48-L52 WeakPolarHBondContact O-CB 3.05Å; A48-L52 PolarHBondContact O-N 3.04Å; M49-L52 WeakPolarHBondContact O-CB 3.22Å; M49-L52 PolarHBondContact O-N 3.17Å; E50-L52 VanDerWaalsContact C-N 3.32Å; E50-L52 PolarHBondContact O-N 3.02Å; L52-K54 VanDerWaalsContact C-N 3.27Å; L52-K54 PolarHBondContact O-N 3.41Å; L52-A55 PolarHBondContact O-N 2.88Å; L52-L56 HydrophobicContact CD1-CD1 4.17Å; L52-L56 HydrophobicContact CD1-CG 4.18Å; L52-L56 HydrophobicContact CG-CD1 4.05Å; L52-L56 HydrophobicContact CG-CG 4.43Å; L52-L56 WeakPolarHBondContact O-CG 3.46Å; L52-L56 PolarHBondContact O-N 2.92Å; L52-V66 HydrophobicContact CB-CG1 4.12Å; L52-V66 HydrophobicContact CB-CG2 3.98Å; L52-V66 HydrophobicContact CD1-CG2 4.38Å; L52-W93 HydrophobicContact CD1-CH2 4.36Å; L52-W93 HydrophobicContact CD1-CZ3 4.15Å; L52-W93 HydrophobicContact CD2-CH2 3.78Å; L52-W93 HydrophobicContact CD2-CZ2 4.41Å; L52-W93 HydrophobicContact CD2-CZ3 4.33Å; L52-I123 HydrophobicContact CD1-CD1 4.02Å; L52-I123 HydrophobicContact CD2-CD1 4.2Å
53E96.2Very high93.8Very high39 Ų3974 Ų7418%0.18240%0.395CS..Hα-helixtrans-60-40176.2-72.1179.3-165.200111.1R17 L18 W21 M49 E50 L56 S57R17-E53 VanDerWaalsContact CD-CD 3.45Å; R17-E53 WeakPolarHBondContact CD-OE1 3.44Å; R17-E53 VanDerWaalsContact CD-OE2 3.31Å; R17-E53 WeakPolarHBondContact CD-OE2 3.35Å; R17-E53 IonicContact CZ-OE1 2.9Å; R17-E53 IonicContact CZ-OE2 3.73Å; R17-E53 IonicContact NE-OE1 2.87Å; R17-E53 IonicContact NE-OE2 3.9Å; R17-E53 IonicContact NH1-OE1 3.27Å; R17-E53 PolarHBondContact NH1-OE1 2.92Å; R17-E53 IonicContact NH1-OE2 3.68Å; R17-E53 PolarHBondContact NH1-OE2 3.2Å; L18-E53 HydrophobicContact CD2-CG 4.01Å; W21-E53 HydrophobicContact CH2-CB 4.33Å; W21-E53 HydrophobicContact CH2-CG 4.22Å; W21-E53 HydrophobicContact CZ3-CG 4.3Å; M49-E53 WeakPolarHBondContact O-CG 3.35Å; M49-E53 PolarHBondContact O-N 2.92Å; E50-E53 PolarHBondContact O-N 3.44Å; E53-L56 PolarHBondContact O-N 3.37Å; E53-S57 VanDerWaalsContact O-CB 3.28Å; E53-S57 WeakPolarHBondContact O-CB 3.21Å; E53-S57 PolarHBondContact O-N 3.47Å; E53-S57 PolarHBondContact O-OG 3.44Å
54K95.4Very high93.9Very high124 Ų12473.5 Ų73.554%0.53939%0.393SS..Hα-helixtrans-61.3-47.1173.4-174.1-178.3179.4-175.50112E50 L52 L56 S57 S58E50-K54 VanDerWaalsContact O-CB 3.32Å; E50-K54 WeakPolarHBondContact O-CB 3.31Å; E50-K54 PolarHBondContact O-N 2.98Å; L52-K54 VanDerWaalsContact C-N 3.27Å; L52-K54 PolarHBondContact O-N 3.41Å; K54-L56 PolarHBondContact O-N 2.88Å; K54-S57 WeakPolarHBondContact CA-OG 3.47Å; K54-S57 PolarHBondContact O-N 3.32Å; K54-S57 PolarHBondContact O-OG 3.27Å; K54-S57 VanDerWaalsContact O-OG 3.09Å; K54-S58 PolarHBondContact O-N 3.43Å; K54-S58 VanDerWaalsContact O-N 3.16Å
55A96.5Very high94.1Very high2 Ų266 Ų662%0.01736%0.363CS..Hα-helixtrans-61.6-4417800000111.9E51 L52 Y126E51-A55 WeakPolarHBondContact O-CB 3.4Å; E51-A55 PolarHBondContact O-N 2.76Å; L52-A55 PolarHBondContact O-N 2.88Å; A55-Y126 HydrophobicContact CB-CD2 4.33Å; A55-Y126 WeakPolarHBondContact O-CD2 3.21Å; A55-Y126 WeakPolarHBondContact O-CE2 3.33Å
56L97Very high94.4Very high2 Ų262 Ų621%0.0135%0.346CS..Hα-helixtrans-69.1-36.8180-66.7176.9000113.5L18 W21 L52 E53 K54 W93 P125 Y126L18-L56 HydrophobicContact CD2-CD1 3.74Å; W21-L56 HydrophobicContact CB-CB 4.28Å; W21-L56 HydrophobicContact CB-CD1 4.38Å; W21-L56 HydrophobicContact CD2-CB 3.67Å; W21-L56 HydrophobicContact CD2-CD1 4.2Å; W21-L56 HydrophobicContact CE3-CB 4.03Å; W21-L56 HydrophobicContact CE3-CD1 3.8Å; W21-L56 HydrophobicContact CG-CB 3.78Å; W21-L56 HydrophobicContact CG-CD1 4.46Å; W21-L56 HydrophobicContact CZ3-CD1 4.44Å; W21-L56 PolarHBondContact NE1-O 3.28Å; L52-L56 HydrophobicContact CD1-CD1 4.17Å; L52-L56 HydrophobicContact CD1-CG 4.18Å; L52-L56 HydrophobicContact CG-CD1 4.05Å; L52-L56 HydrophobicContact CG-CG 4.43Å; L52-L56 WeakPolarHBondContact O-CG 3.46Å; L52-L56 PolarHBondContact O-N 2.92Å; E53-L56 PolarHBondContact O-N 3.37Å; K54-L56 PolarHBondContact O-N 2.88Å; L56-W93 HydrophobicContact CD1-CD2 4.03Å; L56-W93 HydrophobicContact CD1-CG 4.29Å; L56-W93 HydrophobicContact CD1-CZ2 4.08Å; L56-W93 HydrophobicContact CD2-CB 3.79Å; L56-W93 HydrophobicContact CD2-CD2 3.84Å; L56-W93 HydrophobicContact CD2-CE3 4.21Å; L56-W93 HydrophobicContact CD2-CG 3.63Å; L56-P125 HydrophobicContact CD2-CG 3.82Å; L56-Y126 HydrophobicContact CD2-CE2 4.19Å
57S96.2Very high94.6Very high65 Ų6551.8 Ų51.846%0.45530%0.302SS..Hα-helixtrans-77.2-17.7178.957.50000114.5E53 K54E53-S57 VanDerWaalsContact O-CB 3.28Å; E53-S57 WeakPolarHBondContact O-CB 3.21Å; E53-S57 PolarHBondContact O-N 3.47Å; E53-S57 PolarHBondContact O-OG 3.44Å; K54-S57 WeakPolarHBondContact CA-OG 3.47Å; K54-S57 PolarHBondContact O-N 3.32Å; K54-S57 PolarHBondContact O-OG 3.27Å; K54-S57 VanDerWaalsContact O-OG 3.09Å
58S93.4Very high94.8Very high49 Ų4950.6 Ų50.634%0.34329%0.288SS..SBendtrans-126.869.6-179.5-57.80000112K54 G60 Q61K54-S58 PolarHBondContact O-N 3.43Å; K54-S58 VanDerWaalsContact O-N 3.16Å; S58-G60 PolarHBondContact O-N 2.98Å; S58-Q61 PolarHBondContact O-N 3.39Å
59P90.6Very high94.8Very high84 Ų8454.4 Ų54.455%0.54531%0.313SS..THydrogen-bonded Turntrans-54.7134179.9-22.131.9000112.1Q61 Y126P59-Q61 PolarHBondContact O-N 3.49Å; P59-Y126 HydrophobicContact CB-CE1 3.78Å; P59-Y126 WeakPolarHBondContact CB-OH 3.43Å; P59-Y126 WeakPolarHBondContact CG-OH 3.39Å
60G82.7Confident94.8Very high70 Ų7056.6 Ų56.672%0.72232%0.32SS*.THydrogen-bonded Turntrans80.5-8.9177.100000115.7S58S58-G60 PolarHBondContact O-N 2.98Å
61Q92.2Very high94.7Very high130 Ų13053 Ų5361%0.60731%0.308SS*.SBendtrans-80.3145.2172.8-67.9-68.9-2300111.1S58 P59 S63S58-Q61 PolarHBondContact O-N 3.39Å; P59-Q61 PolarHBondContact O-N 3.49Å; Q61-S63 PolarHBondContact O-N 3.41Å
62P92.7Very high94.5Very high111 Ų11160.4 Ų60.472%0.72135%0.348SS*.  trans-54.2128.4172.3-25.934.8000111.7
63S95.1Very high94.1Very high23 Ų2364 Ų6416%0.16137%0.367CS..  trans-137.7157.6179.852.60000110.4Q61 N124 H127Q61-S63 PolarHBondContact O-N 3.41Å; S63-N124 PolarHBondContact OG-ND2 3.2Å; S63-H127 PolarHBondContact O-CE1 2.91Å; S63-H127 PolarHBondContact O-NE2 2.9Å
64K96.1Very high93.9Very high135 Ų13562.3 Ų62.359%0.58736%0.361SS*.PPolyproline II helixtrans-75.7162.2178.5-62.9-174.6-166.1147.40111.6E51 V66 N124 H127E51-K64 WeakPolarHBondContact OE1-CD 3.5Å; E51-K64 WeakPolarHBondContact OE1-CE 3.38Å; E51-K64 IonicContact OE1-NZ 2.8Å; E51-K64 PolarHBondContact OE1-NZ 3.23Å; K64-V66 PolarHBondContact O-N 3.48Å; K64-N124 PolarHBondContact O-ND2 3.11Å; K64-H127 PolarHBondContact O-CE1 3.09Å
65C97.2Very high93.8Very high29 Ų2962 Ų6220%0.19636%0.356CS..PPolyproline II helixtrans-63.9130.7169.9-67.20000109.8T67 E111 F112 H127C65-T67 HydrophobicContact CB-CG2 4.05Å; C65-E111 PolarHBondContact SG-N 2.59Å; C65-E111 VanDerWaalsContact SG-N 3.36Å; C65-F112 HydrophobicContact CB-CD2 3.81Å; C65-F112 HydrophobicContact CB-CE2 4.47Å; C65-H127 VanDerWaalsContact CA-CE1 3.47Å; C65-H127 WeakPolarHBondContact CA-CE1 3.12Å; C65-H127 PolarHBondContact N-CE1 3.13Å; C65-H127 VanDerWaalsContact N-CE1 3.28Å; C65-H127 PolarHBondContact SG-CE1 3.14Å; C65-H127 PolarHBondContact SG-ND1 3.48Å
66V97.4Very high93.7Very high1 Ų162.7 Ų62.71%0.00636%0.359CS..PPolyproline II helixtrans-103.6119.4166.5-179.30000106.5L42 E51 L52 K64 C122 I123 N124L42-V66 HydrophobicContact CD1-CG1 4.25Å; L42-V66 HydrophobicContact CD2-CG1 3.76Å; E51-V66 HydrophobicContact CB-CG2 4.14Å; L52-V66 HydrophobicContact CB-CG1 4.12Å; L52-V66 HydrophobicContact CB-CG2 3.98Å; L52-V66 HydrophobicContact CD1-CG2 4.38Å; K64-V66 PolarHBondContact O-N 3.48Å; V66-C122 CarbonylContact O-C 3.6Å; V66-C122 VanDerWaalsContact O-CA 3.32Å; V66-C122 WeakPolarHBondContact O-CA 3.49Å; V66-I123 HydrophobicContact CB-CD1 3.94Å; V66-I123 HydrophobicContact CB-CG1 4.45Å; V66-I123 HydrophobicContact CG1-CD1 3.52Å; V66-I123 HydrophobicContact CG1-CG1 4.09Å; V66-I123 WeakPolarHBondContact O-CG1 3.46Å; V66-I123 PolarHBondContact O-N 3Å; V66-N124 HydrophobicContact CB-CB 4.29Å; V66-N124 HydrophobicContact CG2-CB 4.33Å
67T97.3Very high93.5Very high4 Ų468.2 Ų68.23%0.02539%0.385CS..EExtended strand (participates in β ladder)trans-121.9154.6-169.763.70000113.7K45 C65 F112 E120 V121K45-T67 PolarHBondContact NZ-OG1 3.02Å; C65-T67 HydrophobicContact CB-CG2 4.05Å; T67-F112 HydrophobicContact CG2-CB 3.82Å; T67-F112 HydrophobicContact CG2-CD2 3.73Å; T67-F112 HydrophobicContact CG2-CE2 4.48Å; T67-F112 HydrophobicContact CG2-CG 3.76Å; T67-E120 HydrophobicContact CG2-CB 4.4Å; T67-E120 VanDerWaalsContact OG1-CD 3.29Å; T67-E120 PolarHBondContact OG1-OE1 3.08Å; T67-V121 CarbonylContact C-O 3.46Å; T67-V121 WeakPolarHBondContact CA-O 3.36Å
68I96.5Very high93.2Very high4 Ų465.2 Ų65.22%0.02136%0.364CS..EExtended strand (participates in β ladder)trans-127155.9167.865.9171.8000110.8L38 K41 L42 R70 P85 E120 V121 I123L38-I68 HydrophobicContact CD1-CG2 3.71Å; K41-I68 HydrophobicContact CB-CG2 4.19Å; K41-I68 HydrophobicContact CD-CB 4.37Å; K41-I68 HydrophobicContact CD-CD1 4.22Å; K41-I68 HydrophobicContact CD-CG2 4.31Å; L42-I68 HydrophobicContact CD2-CG2 4.09Å; I68-R70 PolarHBondContact O-N 3.39Å; I68-P85 HydrophobicContact CD1-CB 3.71Å; I68-P85 HydrophobicContact CD1-CG 4Å; I68-P85 HydrophobicContact CG1-CB 4.43Å; I68-E120 WeakPolarHBondContact O-CA 3.45Å; I68-V121 PolarHBondContact N-O 3.27Å; I68-V121 PolarHBondContact O-N 3.32Å; I68-I123 HydrophobicContact CD1-CG2 4.12Å; I68-I123 HydrophobicContact CG1-CG2 4.01Å; I68-I123 HydrophobicContact CG2-CG1 4.37Å
69P95.5Very high92.9Very high88 Ų8865 Ų6557%0.57136%0.363SS*.EExtended strand (participates in β ladder)trans-60135.3173.2-23.633.8000112.3
70R95Very high92.6Very high66 Ų6669.6 Ų69.625%0.24938%0.377CS..PPolyproline II helixtrans-71.2132.9173.8-178.2177.7-73-95.6-1.1110.3I68 F114 Q118 K119 V121I68-R70 PolarHBondContact O-N 3.39Å; R70-F114 VanDerWaalsContact NH1-CE2 3.28Å; R70-F114 PolarHBondContact NH2-O 2.79Å; R70-Q118 WeakPolarHBondContact CD-O 3.29Å; R70-Q118 PolarHBondContact NE-O 3.47Å; R70-K119 WeakPolarHBondContact CB-O 3.49Å; R70-K119 PolarHBondContact N-O 3.3Å; R70-V121 HydrophobicContact CB-CG2 4.05Å; R70-V121 HydrophobicContact CG-CG2 4.32Å
71S93.5Very high92.8Very high46 Ų4672.5 Ų72.532%0.32237%0.366SS..PPolyproline II helixtrans-78.6164.2170.853.70000111.8D73 G74 R75S71-D73 PolarHBondContact O-N 3.36Å; S71-D73 PolarHBondContact OG-OD1 3.14Å; S71-G74 PolarHBondContact O-N 3.44Å; S71-G74 WeakPolarHBondContact OG-CA 3.4Å; S71-G74 PolarHBondContact OG-N 3.34Å; S71-R75 PolarHBondContact OG-N 2.89Å; S71-R75 PolarHBondContact OG-O 3.44Å
72L90.8Very high92.7Very high196 Ų19672 Ų72100%1.02636%0.362SS*.THydrogen-bonded Turntrans-54.5-38.2-179.6-66.1174.7000113.4
73D89.6Confident92.6Very high75 Ų7567.8 Ų67.840%0.40134%0.338SS..THydrogen-bonded Turntrans-99.97.1177.274.2-16.4000113.3S71 R75S71-D73 PolarHBondContact O-N 3.36Å; S71-D73 PolarHBondContact OG-OD1 3.14Å; D73-R75 PolarHBondContact O-N 3.14Å; D73-R75 VanDerWaalsContact O-N 3.13Å; D73-R75 PolarHBondContact OD1-N 3.27Å; D73-R75 IonicContact OD2-CZ 3.98Å; D73-R75 VanDerWaalsContact OD2-CZ 3.23Å; D73-R75 IonicContact OD2-NE 3.53Å; D73-R75 PolarHBondContact OD2-NE 3.03Å; D73-R75 IonicContact OD2-NH2 2.76Å; D73-R75 PolarHBondContact OD2-NH2 3.35Å
74G91.7Very high92.6Very high5 Ų568.3 Ų68.35%0.05234%0.339CS..SBendtrans69.7-1.6-178.200000116S71 P85S71-G74 PolarHBondContact O-N 3.44Å; S71-G74 WeakPolarHBondContact OG-CA 3.4Å; S71-G74 PolarHBondContact OG-N 3.34Å; G74-P85 VanDerWaalsContact O-CD 3.28Å; G74-P85 WeakPolarHBondContact O-CD 3.49Å
75R93.1Very high92.6Very high116 Ų11662.2 Ų62.244%0.43831%0.313SS..  trans-100.2148.2-177.1-64.5179.2-61.7-170.3-4.3112.7S71 D73 K82 G83 L84S71-R75 PolarHBondContact OG-N 2.89Å; S71-R75 PolarHBondContact OG-O 3.44Å; D73-R75 PolarHBondContact O-N 3.14Å; D73-R75 VanDerWaalsContact O-N 3.13Å; D73-R75 PolarHBondContact OD1-N 3.27Å; D73-R75 IonicContact OD2-CZ 3.98Å; D73-R75 VanDerWaalsContact OD2-CZ 3.23Å; D73-R75 IonicContact OD2-NE 3.53Å; D73-R75 PolarHBondContact OD2-NE 3.03Å; D73-R75 IonicContact OD2-NH2 2.76Å; D73-R75 PolarHBondContact OD2-NH2 3.35Å; R75-K82 HydrophobicContact CB-CB 4.45Å; R75-G83 CarbonylContact C-O 3.57Å; R75-G83 WeakPolarHBondContact CA-O 3.31Å; R75-L84 HydrophobicContact CG-CD2 3.93Å
76L93.7Very high92.6Very high17 Ų1761.1 Ų61.19%0.08931%0.305CS..EExtended strand (participates in β ladder)trans-104.5131.4170.518064.5000109.6V78 K82 G83 P85 I88 Y89L76-V78 HydrophobicContact CD2-CG2 4.24Å; L76-V78 HydrophobicContact CG-CG2 4.22Å; L76-K82 WeakPolarHBondContact O-CA 3.08Å; L76-G83 PolarHBondContact N-O 2.7Å; L76-G83 PolarHBondContact O-N 3.11Å; L76-P85 HydrophobicContact CB-CG 4.15Å; L76-I88 HydrophobicContact CB-CD1 4.03Å; L76-I88 HydrophobicContact CD2-CD1 4.22Å; L76-I88 HydrophobicContact CG-CD1 4.4Å; L76-Y89 HydrophobicContact CD2-CE2 4.12Å; L76-Y89 WeakPolarHBondContact CD2-OH 3.31Å
77Q92.7Very high92.6Very high118 Ų11862 Ų6255%0.55131%0.31SS*.EExtended strand (participates in β ladder)trans-88.6124.8171.9-175.4169.2-17.800110.2S79 R81 K82Q77-S79 PolarHBondContact NE2-O 3.37Å; Q77-S79 VanDerWaalsContact NE2-O 3.14Å; Q77-R81 WeakPolarHBondContact CA-O 3.3Å; Q77-K82 HydrophobicContact CB-CG 4.18Å; Q77-K82 HydrophobicContact CG-CG 4.32Å
78V90.8Very high92.5Very high3 Ų362.3 Ų62.32%0.01831%0.312CS..EExtended strand (participates in β ladder)trans-122.9111172.7-179.40000107.5K33 A34 L76 H80 R81 I88K33-V78 HydrophobicContact CB-CG1 3.94Å; A34-V78 HydrophobicContact CB-CG1 3.89Å; A34-V78 HydrophobicContact CB-CG2 4.18Å; L76-V78 HydrophobicContact CD2-CG2 4.24Å; L76-V78 HydrophobicContact CG-CG2 4.22Å; V78-H80 PolarHBondContact O-N 2.96Å; V78-H80 VanDerWaalsContact O-N 3.16Å; V78-R81 PolarHBondContact N-O 3.42Å; V78-R81 PolarHBondContact O-N 3.15Å; V78-I88 HydrophobicContact CG2-CD1 4.11Å
79S86.8Confident92.5Very high45 Ų4562.1 Ų62.132%0.31531%0.311SS..THydrogen-bonded Turntrans55.5-115.9-171.1-154.60000111.5K33 Q77K33-S79 PolarHBondContact NZ-OG 2.87Å; Q77-S79 PolarHBondContact NE2-O 3.37Å; Q77-S79 VanDerWaalsContact NE2-O 3.14Å
80H84.5Confident92.6Very high180 Ų18057.9 Ų57.983%0.83328%0.284SS*.THydrogen-bonded Turntrans-100.34.4-179.6-54.8-72.5000113.2V78V78-H80 PolarHBondContact O-N 2.96Å; V78-H80 VanDerWaalsContact O-N 3.16Å
81R86.1Confident92.6Very high130 Ų13058.1 Ų58.149%0.49128%0.284SS..EExtended strand (participates in β ladder)trans-111.3140.3-178.1-61.7-176.3-178.1172.10.2110.3E27 Q77 V78E27-R81 IonicContact OE1-CZ 2.66Å; E27-R81 VanDerWaalsContact OE1-CZ 3.27Å; E27-R81 IonicContact OE1-NH1 2.84Å; E27-R81 PolarHBondContact OE1-NH1 2.8Å; E27-R81 IonicContact OE1-NH2 2.76Å; E27-R81 PolarHBondContact OE1-NH2 3.31Å; E27-R81 IonicContact OE2-NH1 2.85Å; E27-R81 PolarHBondContact OE2-NH1 3.15Å; Q77-R81 WeakPolarHBondContact CA-O 3.3Å; V78-R81 PolarHBondContact N-O 3.42Å; V78-R81 PolarHBondContact O-N 3.15Å
82K89.6Confident92.8Very high121 Ų12156 Ų5653%0.52627%0.27SS..EExtended strand (participates in β ladder)trans-106.7132.7169-69-173177.2-1740108.7R75 L76 Q77R75-K82 HydrophobicContact CB-CB 4.45Å; L76-K82 WeakPolarHBondContact O-CA 3.08Å; Q77-K82 HydrophobicContact CB-CG 4.18Å; Q77-K82 HydrophobicContact CG-CG 4.32Å
83G92.4Very high93.1Very high22 Ų2246.9 Ų46.923%0.22722%0.221CC..EExtended strand (participates in β ladder)trans-148.5168.2179.100000111.8R75 L76R75-G83 CarbonylContact C-O 3.57Å; R75-G83 WeakPolarHBondContact CA-O 3.31Å; L76-G83 PolarHBondContact N-O 2.7Å; L76-G83 PolarHBondContact O-N 3.11Å
84L94.9Very high93.3Very high33 Ų3346.8 Ų46.817%0.17322%0.216CC..  trans-78.1134.6178.1-63.6176.5000110R75 H86 V87 I88 H101 F114R75-L84 HydrophobicContact CG-CD2 3.93Å; L84-H86 PolarHBondContact O-N 2.77Å; L84-V87 HydrophobicContact CB-CB 4.23Å; L84-V87 HydrophobicContact CB-CG2 3.86Å; L84-V87 HydrophobicContact CD1-CG2 4.44Å; L84-V87 PolarHBondContact O-N 3.29Å; L84-V87 VanDerWaalsContact O-N 3.13Å; L84-I88 WeakPolarHBondContact O-CG1 3.24Å; L84-I88 PolarHBondContact O-N 3.28Å; L84-H101 HydrophobicContact CD1-CB 3.73Å; L84-F114 HydrophobicContact CD1-CE1 4.15Å; L84-F114 HydrophobicContact CD1-CZ 4.34Å; L84-F114 HydrophobicContact CD2-CE1 4.06Å; L84-F114 HydrophobicContact CD2-CE2 3.85Å; L84-F114 HydrophobicContact CD2-CZ 3.41Å; L84-F114 VanDerWaalsContact CD2-CZ 3.41Å; L84-F114 HydrophobicContact CG-CZ 4.39Å
85P96.4Very high93.5Very high7 Ų748.4 Ų48.45%0.04522%0.22CC..Hα-helixtrans-53.5-51.9-173.5-27.832.3000114.1I68 G74 L76 V87 I88 Y89 V121 I123I68-P85 HydrophobicContact CD1-CB 3.71Å; I68-P85 HydrophobicContact CD1-CG 4Å; I68-P85 HydrophobicContact CG1-CB 4.43Å; G74-P85 VanDerWaalsContact O-CD 3.28Å; G74-P85 WeakPolarHBondContact O-CD 3.49Å; L76-P85 HydrophobicContact CB-CG 4.15Å; P85-V87 VanDerWaalsContact C-N 3.3Å; P85-V87 PolarHBondContact O-N 3.5Å; P85-I88 PolarHBondContact O-N 3.25Å; P85-Y89 HydrophobicContact CB-CE2 4.4Å; P85-Y89 WeakPolarHBondContact O-CD2 3.45Å; P85-Y89 PolarHBondContact O-N 3.28Å; P85-Y89 VanDerWaalsContact O-N 3.09Å; P85-V121 HydrophobicContact CB-CG1 4.37Å; P85-I123 HydrophobicContact CB-CG2 3.9Å
86H96.7Very high93.5Very high7 Ų745.2 Ų45.23%0.03222%0.215CC..Hα-helixtrans-60.8-37.6-179.863.9-71.9000112.7L84 C90 F114 Y128L84-H86 PolarHBondContact O-N 2.77Å; H86-C90 VanDerWaalsContact O-CB 3.27Å; H86-C90 WeakPolarHBondContact O-CB 3.39Å; H86-C90 PolarHBondContact O-N 2.85Å; H86-C90 PolarHBondContact O-SG 2.86Å; H86-F114 WeakPolarHBondContact CE1-CB 3.3Å; H86-F114 AromaticContact CE1-CD1 3.5Å; H86-F114 VanDerWaalsContact CE1-CD1 3.5Å; H86-F114 WeakPolarHBondContact CE1-CD1 3.12Å; H86-F114 AromaticContact CE1-CD2 3.66Å; H86-F114 AromaticContact CE1-CG 3.19Å; H86-F114 WeakPolarHBondContact CE1-CG 3.1Å; H86-F114 WeakPolarHBondContact ND1-CB 3.45Å; H86-F114 AromaticContact ND1-CD2 3.53Å; H86-F114 AromaticContact ND1-CG 3.42Å; H86-F114 WeakPolarHBondContact ND1-CG 3.48Å; H86-Y128 HydrophobicContact CB-CE1 4.05Å; H86-Y128 HydrophobicContact CB-CE2 3.81Å; H86-Y128 VanDerWaalsContact CB-CZ 3.49Å; H86-Y128 WeakPolarHBondContact CB-OH 3.41Å; H86-Y128 AromaticContact CD2-CE1 3.79Å
87V96.5Very high93.4Very high19 Ų1948.4 Ų48.412%0.11523%0.232CC..Hα-helixtrans-65.5-47.6175.1-179.60000110.9L84 P85 Y89 C90 R91 L98 H101 L104L84-V87 HydrophobicContact CB-CB 4.23Å; L84-V87 HydrophobicContact CB-CG2 3.86Å; L84-V87 HydrophobicContact CD1-CG2 4.44Å; L84-V87 PolarHBondContact O-N 3.29Å; L84-V87 VanDerWaalsContact O-N 3.13Å; P85-V87 VanDerWaalsContact C-N 3.3Å; P85-V87 PolarHBondContact O-N 3.5Å; V87-Y89 VanDerWaalsContact C-N 3.3Å; V87-Y89 PolarHBondContact O-N 2.7Å; V87-C90 PolarHBondContact O-N 3.42Å; V87-R91 VanDerWaalsContact O-CB 3.24Å; V87-R91 WeakPolarHBondContact O-CB 3.32Å; V87-R91 PolarHBondContact O-N 3.44Å; V87-L98 HydrophobicContact CB-CD2 4.47Å; V87-L98 HydrophobicContact CG1-CD2 3.78Å; V87-L98 HydrophobicContact CG1-CG 4.26Å; V87-H101 HydrophobicContact CG2-CB 3.5Å; V87-H101 VanDerWaalsContact CG2-CB 3.5Å; V87-L104 HydrophobicContact CG2-CD1 4.34Å
88I96.1Very high93.4Very high10 Ų1042.8 Ų42.85%0.05121%0.205CC..Hα-helixtrans-54.7-49.3179.6-69.2165.9000110.1W30 A34 L76 V78 L84 P85 R91 V92W30-I88 HydrophobicContact CH2-CB 4.47Å; W30-I88 HydrophobicContact CH2-CG2 3.86Å; W30-I88 HydrophobicContact CZ2-CB 4.48Å; W30-I88 HydrophobicContact CZ2-CG1 4.25Å; W30-I88 HydrophobicContact CZ2-CG2 3.89Å; A34-I88 HydrophobicContact CB-CG2 3.91Å; L76-I88 HydrophobicContact CB-CD1 4.03Å; L76-I88 HydrophobicContact CD2-CD1 4.22Å; L76-I88 HydrophobicContact CG-CD1 4.4Å; V78-I88 HydrophobicContact CG2-CD1 4.11Å; L84-I88 WeakPolarHBondContact O-CG1 3.24Å; L84-I88 PolarHBondContact O-N 3.28Å; P85-I88 PolarHBondContact O-N 3.25Å; I88-R91 WeakPolarHBondContact O-CB 2.86Å; I88-R91 PolarHBondContact O-N 2.95Å; I88-V92 WeakPolarHBondContact O-CG2 3.22Å; I88-V92 PolarHBondContact O-N 2.81Å
89Y97.1Very high93.3Very high0 Ų046.6 Ų46.60%022%0.223CC..Hα-helixtrans-80.2-31.6-173.7-64.9-55.7000113.7A34 L38 L76 P85 V87 R91 V92 W93 I123A34-Y89 PolarHBondContact O-OH 3.2Å; L38-Y89 HydrophobicContact CB-CE1 3.66Å; L38-Y89 VanDerWaalsContact CB-OH 3.3Å; L38-Y89 WeakPolarHBondContact CB-OH 3.21Å; L38-Y89 HydrophobicContact CD1-CE1 4.26Å; L38-Y89 HydrophobicContact CD1-CE2 3.87Å; L38-Y89 HydrophobicContact CD2-CD1 3.89Å; L38-Y89 HydrophobicContact CD2-CE1 3.63Å; L38-Y89 HydrophobicContact CD2-CE2 4.46Å; L38-Y89 HydrophobicContact CD2-CG 4.44Å; L38-Y89 HydrophobicContact CG-CE1 4.03Å; L76-Y89 HydrophobicContact CD2-CE2 4.12Å; L76-Y89 WeakPolarHBondContact CD2-OH 3.31Å; P85-Y89 HydrophobicContact CB-CE2 4.4Å; P85-Y89 WeakPolarHBondContact O-CD2 3.45Å; P85-Y89 PolarHBondContact O-N 3.28Å; P85-Y89 VanDerWaalsContact O-N 3.09Å; V87-Y89 VanDerWaalsContact C-N 3.3Å; V87-Y89 PolarHBondContact O-N 2.7Å; Y89-R91 VanDerWaalsContact C-N 3.27Å; Y89-R91 PolarHBondContact O-N 3.3Å; Y89-V92 PolarHBondContact O-N 3.09Å; Y89-W93 HydrophobicContact CD1-CE3 4.47Å; Y89-W93 AromaticContact CD1-CH2 3.78Å; Y89-W93 HydrophobicContact CD1-CH2 3.78Å; Y89-W93 AromaticContact CD1-CZ3 3.69Å; Y89-W93 HydrophobicContact CD1-CZ3 3.69Å; Y89-W93 HydrophobicContact CG-CH2 4.34Å; Y89-W93 AromaticContact CG-CZ3 3.83Å; Y89-W93 HydrophobicContact CG-CZ3 3.83Å; Y89-W93 PolarHBondContact O-N 3.23Å; Y89-W93 VanDerWaalsContact O-N 3.15Å; Y89-I123 HydrophobicContact CD2-CB 3.53Å; Y89-I123 HydrophobicContact CD2-CG1 4.25Å; Y89-I123 HydrophobicContact CD2-CG2 3.53Å; Y89-I123 HydrophobicContact CE2-CB 4.22Å; Y89-I123 HydrophobicContact CE2-CG2 3.9Å; Y89-I123 HydrophobicContact CG-CB 4.21Å
90C97.1Very high93.4Very high0 Ų045 Ų450%021%0.211CC..Hα-helixtrans-62.1-37.8166.1-69.40000111.4H86 V87 R94 W95 L98 L104H86-C90 VanDerWaalsContact O-CB 3.27Å; H86-C90 WeakPolarHBondContact O-CB 3.39Å; H86-C90 PolarHBondContact O-N 2.85Å; H86-C90 PolarHBondContact O-SG 2.86Å; V87-C90 PolarHBondContact O-N 3.42Å; C90-R94 WeakPolarHBondContact O-CA 3.47Å; C90-R94 WeakPolarHBondContact O-CB 3.23Å; C90-R94 PolarHBondContact O-N 3.08Å; C90-W95 HydrophobicContact CB-CE3 4.15Å; C90-W95 HydrophobicContact CB-CZ3 4.3Å; C90-W95 PolarHBondContact O-N 3.03Å; C90-L98 HydrophobicContact CB-CD2 3.93Å; C90-L104 HydrophobicContact CB-CD1 3.95Å
91R95.6Very high93.8Very high70 Ų7039.6 Ų39.626%0.26419%0.187SC..Hα-helixtrans-65.8-42177.3-173173.4-178.5-177.5-11.7112.5E27 V87 I88 Y89 W95 P96 L98E27-R91 IonicContact OE2-NH2 2.77Å; V87-R91 VanDerWaalsContact O-CB 3.24Å; V87-R91 WeakPolarHBondContact O-CB 3.32Å; V87-R91 PolarHBondContact O-N 3.44Å; I88-R91 WeakPolarHBondContact O-CB 2.86Å; I88-R91 PolarHBondContact O-N 2.95Å; Y89-R91 VanDerWaalsContact C-N 3.27Å; Y89-R91 PolarHBondContact O-N 3.3Å; R91-W95 VanDerWaalsContact CA-O 3.31Å; R91-W95 WeakPolarHBondContact CA-O 3.19Å; R91-W95 CarbonylContact O-C 3.57Å; R91-P96 PolarHBondContact NE-O 2.86Å; R91-P96 WeakPolarHBondContact O-CA 3.32Å; R91-L98 HydrophobicContact CB-CB 4.3Å; R91-L98 HydrophobicContact CB-CD2 4.46Å; R91-L98 WeakPolarHBondContact CD-O 3.47Å; R91-L98 HydrophobicContact CG-CB 4.42Å
92V96.2Very high94.2Very high3 Ų335.3 Ų35.32%0.01817%0.172CC..Hα-helixtrans-64.7-43.5178.4172.10000111.9K22 Q23 W30 A31 A34 V35 I88 Y89K22-V92 CarbonylContact C-O 3.49Å; K22-V92 WeakPolarHBondContact CA-O 2.85Å; K22-V92 HydrophobicContact CG-CG1 4.29Å; Q23-V92 PolarHBondContact N-O 3.14Å; W30-V92 HydrophobicContact CH2-CG2 4.12Å; W30-V92 HydrophobicContact CZ3-CG2 3.71Å; A31-V92 HydrophobicContact CB-CG2 4.31Å; A34-V92 HydrophobicContact CB-CG2 4.43Å; V35-V92 HydrophobicContact CG2-CG1 4.09Å; I88-V92 WeakPolarHBondContact O-CG2 3.22Å; I88-V92 PolarHBondContact O-N 2.81Å; Y89-V92 PolarHBondContact O-N 3.09Å
93W96.9Very high94.4Very high3 Ų330.2 Ų30.21%0.01115%0.15CC..Hα-helixtrans-110-7-167.7-65.7-57.2000116.4L18 Q23 V35 L38 L52 L56 Y89 P125L18-W93 HydrophobicContact CB-CZ2 4.32Å; L18-W93 PolarHBondContact O-NE1 2.95Å; Q23-W93 WeakPolarHBondContact CG-O 3.41Å; V35-W93 HydrophobicContact CG2-CZ2 4.1Å; L38-W93 HydrophobicContact CD2-CH2 3.43Å; L38-W93 VanDerWaalsContact CD2-CH2 3.43Å; L38-W93 HydrophobicContact CD2-CZ2 4.39Å; L38-W93 HydrophobicContact CD2-CZ3 4.17Å; L52-W93 HydrophobicContact CD1-CH2 4.36Å; L52-W93 HydrophobicContact CD1-CZ3 4.15Å; L52-W93 HydrophobicContact CD2-CH2 3.78Å; L52-W93 HydrophobicContact CD2-CZ2 4.41Å; L52-W93 HydrophobicContact CD2-CZ3 4.33Å; L56-W93 HydrophobicContact CD1-CD2 4.03Å; L56-W93 HydrophobicContact CD1-CG 4.29Å; L56-W93 HydrophobicContact CD1-CZ2 4.08Å; L56-W93 HydrophobicContact CD2-CB 3.79Å; L56-W93 HydrophobicContact CD2-CD2 3.84Å; L56-W93 HydrophobicContact CD2-CE3 4.21Å; L56-W93 HydrophobicContact CD2-CG 3.63Å; Y89-W93 HydrophobicContact CD1-CE3 4.47Å; Y89-W93 AromaticContact CD1-CH2 3.78Å; Y89-W93 HydrophobicContact CD1-CH2 3.78Å; Y89-W93 AromaticContact CD1-CZ3 3.69Å; Y89-W93 HydrophobicContact CD1-CZ3 3.69Å; Y89-W93 HydrophobicContact CG-CH2 4.34Å; Y89-W93 AromaticContact CG-CZ3 3.83Å; Y89-W93 HydrophobicContact CG-CZ3 3.83Å; Y89-W93 PolarHBondContact O-N 3.23Å; Y89-W93 VanDerWaalsContact O-N 3.15Å; W93-P125 HydrophobicContact CB-CB 4.5Å; W93-P125 HydrophobicContact CB-CG 4.09Å; W93-P125 HydrophobicContact CE3-CG 4.02Å
94R95.2Very high94.6Very high73 Ų7329.9 Ų29.928%0.27514%0.143SC..THydrogen-bonded Turntrans-134.1-54.6-178.4-65.4-17268.9-170.60.6113.5C90 P125 Y128C90-R94 WeakPolarHBondContact O-CA 3.47Å; C90-R94 WeakPolarHBondContact O-CB 3.23Å; C90-R94 PolarHBondContact O-N 3.08Å; R94-P125 WeakPolarHBondContact CD-O 3.46Å; R94-P125 HydrophobicContact CG-CB 3.89Å; R94-P125 HydrophobicContact CG-CG 4.46Å; R94-P125 PolarHBondContact NH1-O 2.61Å; R94-Y128 PolarHBondContact NH1-O 3.49Å
95W95.1Very high94.7Very high40 Ų4033.8 Ų33.815%0.15216%0.159CC..  trans-13186.8-168.8-57.6-62.5000110.9C90 R91 D97 L98 L104 R130C90-W95 HydrophobicContact CB-CE3 4.15Å; C90-W95 HydrophobicContact CB-CZ3 4.3Å; C90-W95 PolarHBondContact O-N 3.03Å; R91-W95 VanDerWaalsContact CA-O 3.31Å; R91-W95 WeakPolarHBondContact CA-O 3.19Å; R91-W95 CarbonylContact O-C 3.57Å; W95-D97 PolarHBondContact O-N 3.3Å; W95-D97 VanDerWaalsContact O-N 3.12Å; W95-L98 HydrophobicContact CB-CB 4.05Å; W95-L98 WeakPolarHBondContact O-CB 3.13Å; W95-L98 PolarHBondContact O-N 2.85Å; W95-L104 HydrophobicContact CE3-CD2 3.77Å; W95-L104 HydrophobicContact CH2-CD2 4.26Å; W95-L104 HydrophobicContact CZ3-CD2 3.37Å; W95-R130 HydrophobicContact CD2-CB 4.24Å; W95-R130 HydrophobicContact CE3-CB 4.48Å; W95-R130 HydrophobicContact CH2-CB 3.84Å; W95-R130 VanDerWaalsContact CH2-N 3.31Å; W95-R130 HydrophobicContact CZ2-CB 3.56Å; W95-R130 HydrophobicContact CZ3-CB 4.32Å
96P93.5Very high94.7Very high49 Ų4936.3 Ų36.332%0.31818%0.175SC..THydrogen-bonded Turntrans-57.9-26.9-178.3-26.136.5000113.8Q23 R91 L98Q23-P96 HydrophobicContact CB-CG 3.52Å; Q23-P96 VanDerWaalsContact O-CG 3.29Å; Q23-P96 WeakPolarHBondContact O-CG 3.29Å; R91-P96 PolarHBondContact NE-O 2.86Å; R91-P96 WeakPolarHBondContact O-CA 3.32Å; P96-L98 VanDerWaalsContact C-N 3.34Å
97D90.9Very high94.6Very high84 Ų8438.5 Ų38.545%0.44919%0.187SC..THydrogen-bonded Turntrans-83.8-2.4179.467.9-47.7000113.8W95 Q99 R130W95-D97 PolarHBondContact O-N 3.3Å; W95-D97 VanDerWaalsContact O-N 3.12Å; D97-Q99 WeakPolarHBondContact O-CG 3.47Å; D97-Q99 PolarHBondContact O-N 2.85Å; D97-R130 VanDerWaalsContact CG-NH1 3.27Å; D97-R130 IonicContact OD1-CZ 2.7Å; D97-R130 IonicContact OD1-NH1 3.81Å; D97-R130 PolarHBondContact OD1-NH1 3.17Å; D97-R130 IonicContact OD1-NH2 3.03Å; D97-R130 IonicContact OD2-CZ 3.97Å; D97-R130 IonicContact OD2-NH1 3.2Å; D97-R130 PolarHBondContact OD2-NH1 2.66Å; D97-R130 IonicContact OD2-NH2 2.76Å; D97-R130 PolarHBondContact OD2-NH2 2.93Å
98L92.7Very high94.6Very high0 Ų045.9 Ų45.90%023%0.225CC..  trans-60.9124.5178.2-173.172.6000111.4V87 C90 R91 W95 P96 E103 L104V87-L98 HydrophobicContact CB-CD2 4.47Å; V87-L98 HydrophobicContact CG1-CD2 3.78Å; V87-L98 HydrophobicContact CG1-CG 4.26Å; C90-L98 HydrophobicContact CB-CD2 3.93Å; R91-L98 HydrophobicContact CB-CB 4.3Å; R91-L98 HydrophobicContact CB-CD2 4.46Å; R91-L98 WeakPolarHBondContact CD-O 3.47Å; R91-L98 HydrophobicContact CG-CB 4.42Å; W95-L98 HydrophobicContact CB-CB 4.05Å; W95-L98 WeakPolarHBondContact O-CB 3.13Å; W95-L98 PolarHBondContact O-N 2.85Å; P96-L98 VanDerWaalsContact C-N 3.34Å; L98-E103 HydrophobicContact CD1-CB 3.58Å; L98-E103 HydrophobicContact CD1-CG 4.37Å; L98-L104 HydrophobicContact CD1-CD2 3.99Å; L98-L104 HydrophobicContact CD1-CG 4.08Å; L98-L104 HydrophobicContact CD2-CD1 3.78Å; L98-L104 HydrophobicContact CD2-CD2 4.16Å; L98-L104 HydrophobicContact CD2-CG 4.04Å
99Q88.6Confident94.5Very high83 Ų8350.2 Ų50.239%0.38825%0.248SC..  trans-110.7-33.9-173.1-48.8-172.43.500112.1D97 E103 S291 T292D97-Q99 WeakPolarHBondContact O-CG 3.47Å; D97-Q99 PolarHBondContact O-N 2.85Å; Q99-E103 WeakPolarHBondContact CA-OE1 3.24Å; Q99-E103 PolarHBondContact N-OE1 3.26Å; Q99-S291 VanDerWaalsContact OE1-CA 3.23Å; Q99-S291 PolarHBondContact OE1-OG 3.07Å; Q99-T292 PolarHBondContact OE1-OG1 3.37Å; Q99-T292 VanDerWaalsContact OE1-OG1 3.09Å
100S90.3Very high94.5Very high10 Ų1050.8 Ų50.87%0.0725%0.252CS..  trans-136.2156.2-175.8-173.90000113.4H102 E103S100-H102 PolarHBondContact O-N 3.19Å; S100-H102 PolarHBondContact OG-CD2 2.76Å; S100-H102 PolarHBondContact OG-N 3.48Å; S100-E103 PolarHBondContact N-OE1 3.49Å; S100-E103 PolarHBondContact O-N 3.03Å
101H92.8Very high94.5Very high68 Ų6857.4 Ų57.432%0.31528%0.282SS..G310 helixtrans-68.2-22.2170.474.2-68.7000113.4L84 V87 E103 L104L84-H101 HydrophobicContact CD1-CB 3.73Å; V87-H101 HydrophobicContact CG2-CB 3.5Å; V87-H101 VanDerWaalsContact CG2-CB 3.5Å; H101-E103 PolarHBondContact O-N 3.45Å; H101-L104 PolarHBondContact O-N 2.98Å
102H93Very high94.6Very high40 Ų4056.3 Ų56.319%0.18528%0.28CS..G310 helixtrans-64.1-23.8176.2-59.3-61.9000112.2S100 L104 H335 Y337 V339 E346S100-H102 PolarHBondContact O-N 3.19Å; S100-H102 PolarHBondContact OG-CD2 2.76Å; S100-H102 PolarHBondContact OG-N 3.48Å; H102-L104 PolarHBondContact O-N 3.42Å; H102-H335 AromaticContact CD2-CE1 3.92Å; H102-H335 AromaticContact NE2-CE1 3.9Å; H102-Y337 HydrophobicContact CB-CD2 3.66Å; H102-Y337 HydrophobicContact CB-CE2 3.56Å; H102-Y337 HydrophobicContact CB-CG 4.42Å; H102-Y337 AromaticContact CD2-CD1 3.49Å; H102-Y337 VanDerWaalsContact CD2-CD1 3.49Å; H102-Y337 WeakPolarHBondContact CD2-CD1 3.49Å; H102-Y337 AromaticContact CD2-CD2 3.6Å; H102-Y337 AromaticContact CD2-CE1 3.47Å; H102-Y337 VanDerWaalsContact CD2-CE1 3.47Å; H102-Y337 WeakPolarHBondContact CD2-CE1 3.49Å; H102-Y337 AromaticContact CD2-CE2 3.57Å; H102-Y337 AromaticContact CD2-CG 3.55Å; H102-Y337 AromaticContact CD2-CZ 3.51Å; H102-Y337 AromaticContact CE1-CE1 3.76Å; H102-Y337 AromaticContact CE1-CZ 3.57Å; H102-Y337 AromaticContact CG-CD2 3.68Å; H102-Y337 AromaticContact CG-CE2 3.36Å; H102-Y337 AromaticContact CG-CZ 3.55Å; H102-Y337 AromaticContact ND1-CE2 3.77Å; H102-Y337 AromaticContact ND1-CZ 3.58Å; H102-Y337 AromaticContact NE2-CD1 3.72Å; H102-Y337 AromaticContact NE2-CE1 3.36Å; H102-Y337 WeakPolarHBondContact NE2-CE1 3.34Å; H102-Y337 AromaticContact NE2-CZ 3.6Å; H102-V339 HydrophobicContact CB-CG1 4.46Å; H102-E346 IonicContact NE2-OE2 2.74Å
103E95Very high94.6Very high13 Ų1357.2 Ų57.26%0.06129%0.286CS..G310 helixtrans-75-3.2173.9-63177.1-99.800113.1L98 Q99 S100 H101 R130 V131 V339L98-E103 HydrophobicContact CD1-CB 3.58Å; L98-E103 HydrophobicContact CD1-CG 4.37Å; Q99-E103 WeakPolarHBondContact CA-OE1 3.24Å; Q99-E103 PolarHBondContact N-OE1 3.26Å; S100-E103 PolarHBondContact N-OE1 3.49Å; S100-E103 PolarHBondContact O-N 3.03Å; H101-E103 PolarHBondContact O-N 3.45Å; E103-R130 CarbonylContact O-C 3.5Å; E103-R130 VanDerWaalsContact O-CA 3.24Å; E103-R130 WeakPolarHBondContact O-CA 3.36Å; E103-R130 WeakPolarHBondContact O-CG 3.38Å; E103-R130 IonicContact OE2-CZ 2.77Å; E103-R130 IonicContact OE2-NE 3.57Å; E103-R130 PolarHBondContact OE2-NE 2.99Å; E103-R130 IonicContact OE2-NH2 3.45Å; E103-R130 PolarHBondContact OE2-NH2 2.72Å; E103-V131 PolarHBondContact O-N 2.8Å; E103-V339 HydrophobicContact CB-CG2 4.47Å; E103-V339 HydrophobicContact CG-CG2 4.16Å
104L96.5Very high94.5Very high15 Ų1558.9 Ų58.98%0.07929%0.293CS..EExtended strand (participates in β ladder)trans-117.1135.3-179.6-63.2-177.7000111.7V87 C90 W95 L98 H101 H102 Y128 K129V87-L104 HydrophobicContact CG2-CD1 4.34Å; C90-L104 HydrophobicContact CB-CD1 3.95Å; W95-L104 HydrophobicContact CE3-CD2 3.77Å; W95-L104 HydrophobicContact CH2-CD2 4.26Å; W95-L104 HydrophobicContact CZ3-CD2 3.37Å; L98-L104 HydrophobicContact CD1-CD2 3.99Å; L98-L104 HydrophobicContact CD1-CG 4.08Å; L98-L104 HydrophobicContact CD2-CD1 3.78Å; L98-L104 HydrophobicContact CD2-CD2 4.16Å; L98-L104 HydrophobicContact CD2-CG 4.04Å; H101-L104 PolarHBondContact O-N 2.98Å; H102-L104 PolarHBondContact O-N 3.42Å; L104-Y128 HydrophobicContact CB-CD1 4.36Å; L104-K129 WeakPolarHBondContact CA-O 3.44Å
105K95.7Very high94.4Very high116 Ų11658.6 Ų58.650%0.50431%0.313SS..EExtended strand (participates in β ladder)trans-116.5132.7165.8-72177.7180176.70109.3Y128 K129 V131K105-Y128 CarbonylContact O-C 3.6Å; K105-Y128 WeakPolarHBondContact O-CA 3.21Å; K105-K129 HydrophobicContact CB-CG 4.03Å; K105-K129 PolarHBondContact N-O 2.93Å; K105-K129 PolarHBondContact O-N 3.03Å; K105-V131 HydrophobicContact CD-CG2 3.98Å; K105-V131 HydrophobicContact CG-CG2 3.83Å
106P96.7Very high94.3Very high60 Ų6058.9 Ų58.939%0.3932%0.321SS..EExtended strand (participates in β ladder)trans-64.3149.8171.429.7-34.1000110.2P113 H127 Y128P106-P113 HydrophobicContact CB-CB 3.5Å; P106-P113 VanDerWaalsContact CB-CB 3.5Å; P106-P113 HydrophobicContact CG-CB 3.86Å; P106-H127 WeakPolarHBondContact CA-O 3.35Å; P106-Y128 HydrophobicContact CB-CD1 4.38Å; P106-Y128 HydrophobicContact CB-CE1 4.29Å
107L96.2Very high94.1Very high52 Ų5265.2 Ų65.227%0.27234%0.343SS..  trans-81.5153.3167.5-60.6-178.5000110I109 C110 Y126 H127 K129L107-I109 HydrophobicContact CB-CG1 3.82Å; L107-I109 HydrophobicContact CD1-CD1 4.25Å; L107-I109 HydrophobicContact CD1-CG1 4.39Å; L107-I109 PolarHBondContact O-N 3.21Å; L107-I109 VanDerWaalsContact O-N 3.14Å; L107-C110 WeakPolarHBondContact O-CB 3.44Å; L107-C110 PolarHBondContact O-N 3.1Å; L107-Y126 WeakPolarHBondContact CD1-O 3.45Å; L107-H127 PolarHBondContact N-O 3.04Å; L107-K129 HydrophobicContact CD2-CB 3.98Å; L107-K129 HydrophobicContact CD2-CD 3.87Å; L107-K129 HydrophobicContact CD2-CG 3.93Å
108D95.4Very high94.2Very high174 Ų17464.8 Ų64.893%0.9334%0.339SS*.THydrogen-bonded Turntrans-62-24.6-178.6-56.6-36.6000113C110D108-C110 PolarHBondContact O-N 3.47Å
109I95.1Very high94.4Very high102 Ų10274 Ų7452%0.52338%0.379SS..THydrogen-bonded Turntrans-71.2-9.7174.762.9168.9000113.6L107 E111L107-I109 HydrophobicContact CB-CG1 3.82Å; L107-I109 HydrophobicContact CD1-CD1 4.25Å; L107-I109 HydrophobicContact CD1-CG1 4.39Å; L107-I109 PolarHBondContact O-N 3.21Å; L107-I109 VanDerWaalsContact O-N 3.14Å; I109-E111 PolarHBondContact O-N 2.72Å
110C96.7Very high94.7Very high12 Ų1272.8 Ų72.88%0.08137%0.373CS..  trans-84.1113.1-179.4-166.70000110.2L107 D108 P113 C122 H127L107-C110 WeakPolarHBondContact O-CB 3.44Å; L107-C110 PolarHBondContact O-N 3.1Å; D108-C110 PolarHBondContact O-N 3.47Å; C110-P113 WeakPolarHBondContact O-CD 3.46Å; C110-C122 VanDerWaalsContact SG-CB 3.56Å; C110-H127 HydrophobicContact CB-CB 4.01Å
111E96.9Very high95Very high138 Ų13872.4 Ų72.465%0.64537%0.37SS*.SBendtrans-78.2-23.6177.3-63.9176.8178.600112.9C65 I109 P113 Q118C65-E111 PolarHBondContact SG-N 2.59Å; C65-E111 VanDerWaalsContact SG-N 3.36Å; I109-E111 PolarHBondContact O-N 2.72Å; E111-P113 WeakPolarHBondContact O-CD 3.27Å; E111-Q118 PolarHBondContact O-NE2 3.42Å
112F97.5Very high95.3Very high47 Ų4769.1 Ų69.121%0.20636%0.355CS..SBendtrans-122.748.3-174.9-56.3-86.7000113.4C65 T67 Q118 E120 C122C65-F112 HydrophobicContact CB-CD2 3.81Å; C65-F112 HydrophobicContact CB-CE2 4.47Å; T67-F112 HydrophobicContact CG2-CB 3.82Å; T67-F112 HydrophobicContact CG2-CD2 3.73Å; T67-F112 HydrophobicContact CG2-CE2 4.48Å; T67-F112 HydrophobicContact CG2-CG 3.76Å; F112-Q118 VanDerWaalsContact CE1-OE1 3.27Å; F112-E120 HydrophobicContact CD1-CB 4.1Å; F112-C122 HydrophobicContact CB-CB 4.17Å; F112-C122 VanDerWaalsContact O-CB 3.27Å; F112-C122 WeakPolarHBondContact O-CB 3.12Å; F112-C122 PolarHBondContact O-N 2.77Å
113P96.9Very high95.5Very high23 Ų2367.2 Ų67.215%0.14935%0.346CS..  trans-67153.9-17931.7-35.4000110P106 C110 E111 G115 S116P106-P113 HydrophobicContact CB-CB 3.5Å; P106-P113 VanDerWaalsContact CB-CB 3.5Å; P106-P113 HydrophobicContact CG-CB 3.86Å; C110-P113 WeakPolarHBondContact O-CD 3.46Å; E111-P113 WeakPolarHBondContact O-CD 3.27Å; P113-G115 PolarHBondContact O-N 3.02Å; P113-G115 VanDerWaalsContact O-N 3.14Å; P113-S116 PolarHBondContact O-N 3.15Å; P113-S116 VanDerWaalsContact O-N 3.09Å; P113-S116 PolarHBondContact O-OG 2.95Å
114F94.3Very high95.6Very high38 Ų3866.6 Ų66.617%0.16734%0.344CS..G310 helixtrans-61-30.7-176.1-177.9-95.6000113R70 L84 H86 S116 V121R70-F114 VanDerWaalsContact NH1-CE2 3.28Å; R70-F114 PolarHBondContact NH2-O 2.79Å; L84-F114 HydrophobicContact CD1-CE1 4.15Å; L84-F114 HydrophobicContact CD1-CZ 4.34Å; L84-F114 HydrophobicContact CD2-CE1 4.06Å; L84-F114 HydrophobicContact CD2-CE2 3.85Å; L84-F114 HydrophobicContact CD2-CZ 3.41Å; L84-F114 VanDerWaalsContact CD2-CZ 3.41Å; L84-F114 HydrophobicContact CG-CZ 4.39Å; H86-F114 WeakPolarHBondContact CE1-CB 3.3Å; H86-F114 AromaticContact CE1-CD1 3.5Å; H86-F114 VanDerWaalsContact CE1-CD1 3.5Å; H86-F114 WeakPolarHBondContact CE1-CD1 3.12Å; H86-F114 AromaticContact CE1-CD2 3.66Å; H86-F114 AromaticContact CE1-CG 3.19Å; H86-F114 WeakPolarHBondContact CE1-CG 3.1Å; H86-F114 WeakPolarHBondContact ND1-CB 3.45Å; H86-F114 AromaticContact ND1-CD2 3.53Å; H86-F114 AromaticContact ND1-CG 3.42Å; H86-F114 WeakPolarHBondContact ND1-CG 3.48Å; F114-S116 VanDerWaalsContact C-N 3.29Å; F114-S116 PolarHBondContact O-N 2.98Å; F114-V121 HydrophobicContact CB-CG1 4.37Å; F114-V121 HydrophobicContact CD2-CG1 3.89Å; F114-V121 HydrophobicContact CD2-CG2 4.05Å
115G92.1Very high95.6Very high66 Ų6665.9 Ų65.968%0.6834%0.34SS*.G310 helixtrans-67.9-20.7178.300000114.9P113 K117P113-G115 PolarHBondContact O-N 3.02Å; P113-G115 VanDerWaalsContact O-N 3.14Å; G115-K117 PolarHBondContact O-N 2.89Å; G115-K117 VanDerWaalsContact O-N 3.13Å
116S92.9Very high95.7Very high47 Ų4762.4 Ų62.433%0.32932%0.324SS..G310 helixtrans-71.7-8-17570.30000114.4P113 F114 Q118P113-S116 PolarHBondContact O-N 3.15Å; P113-S116 VanDerWaalsContact O-N 3.09Å; P113-S116 PolarHBondContact O-OG 2.95Å; F114-S116 VanDerWaalsContact C-N 3.29Å; F114-S116 PolarHBondContact O-N 2.98Å; S116-Q118 PolarHBondContact O-N 3.02Å; S116-Q118 VanDerWaalsContact OG-CG 3.32Å; S116-Q118 WeakPolarHBondContact OG-CG 3.39Å; S116-Q118 PolarHBondContact OG-NE2 2.98Å; S116-Q118 VanDerWaalsContact OG-NE2 3.14Å
117K90.1Very high95.7Very high181 Ų18159.6 Ų59.679%0.78731%0.305SS*.  trans53.421.2-177.7-60.5179.7-177.9177.20114.3G115G115-K117 PolarHBondContact O-N 2.89Å; G115-K117 VanDerWaalsContact O-N 3.13Å
118Q93.8Very high95.8Very high76 Ų7657.3 Ų57.336%0.35529%0.293SS..  trans-67.9165.1174.9-68.7179.653.500112.3R70 E111 F112 S116 E120R70-Q118 WeakPolarHBondContact CD-O 3.29Å; R70-Q118 PolarHBondContact NE-O 3.47Å; E111-Q118 PolarHBondContact O-NE2 3.42Å; F112-Q118 VanDerWaalsContact CE1-OE1 3.27Å; S116-Q118 PolarHBondContact O-N 3.02Å; S116-Q118 VanDerWaalsContact OG-CG 3.32Å; S116-Q118 WeakPolarHBondContact OG-CG 3.39Å; S116-Q118 PolarHBondContact OG-NE2 2.98Å; S116-Q118 VanDerWaalsContact OG-NE2 3.14Å; Q118-E120 PolarHBondContact O-N 3.2Å
119K95.5Very high95.8Very high194 Ų19454.3 Ų54.384%0.84327%0.272SS*.SBendtrans-64.3-23178.8-66.8-177-180177.80113.3R70R70-K119 WeakPolarHBondContact CB-O 3.49Å; R70-K119 PolarHBondContact N-O 3.3Å
120E95.7Very high95.8Very high56 Ų5652.4 Ų52.426%0.26226%0.258SS..EExtended strand (participates in β ladder)trans-114.4155.1175.7-67.5-159.791.400110.7K45 T67 I68 F112 Q118K45-E120 IonicContact NZ-OE1 2.96Å; K45-E120 PolarHBondContact NZ-OE1 3.35Å; K45-E120 IonicContact NZ-OE2 2.73Å; K45-E120 PolarHBondContact NZ-OE2 3.37Å; T67-E120 HydrophobicContact CG2-CB 4.4Å; T67-E120 VanDerWaalsContact OG1-CD 3.29Å; T67-E120 PolarHBondContact OG1-OE1 3.08Å; I68-E120 WeakPolarHBondContact O-CA 3.45Å; F112-E120 HydrophobicContact CD1-CB 4.1Å; Q118-E120 PolarHBondContact O-N 3.2Å
121V96.8Very high95.6Very high2 Ų253.3 Ų53.31%0.01226%0.263CS..EExtended strand (participates in β ladder)trans-129.7128178.1174.20000109T67 I68 R70 P85 F114T67-V121 CarbonylContact C-O 3.46Å; T67-V121 WeakPolarHBondContact CA-O 3.36Å; I68-V121 PolarHBondContact N-O 3.27Å; I68-V121 PolarHBondContact O-N 3.32Å; R70-V121 HydrophobicContact CB-CG2 4.05Å; R70-V121 HydrophobicContact CG-CG2 4.32Å; P85-V121 HydrophobicContact CB-CG1 4.37Å; F114-V121 HydrophobicContact CB-CG1 4.37Å; F114-V121 HydrophobicContact CD2-CG1 3.89Å; F114-V121 HydrophobicContact CD2-CG2 4.05Å
122C97.8Very high95.2Very high0 Ų054.8 Ų54.80%027%0.27CS..EExtended strand (participates in β ladder)trans-67136.6172.2-166.90000111.1V66 C110 F112 N124 H127 Y128V66-C122 CarbonylContact O-C 3.6Å; V66-C122 VanDerWaalsContact O-CA 3.32Å; V66-C122 WeakPolarHBondContact O-CA 3.49Å; C110-C122 VanDerWaalsContact SG-CB 3.56Å; F112-C122 HydrophobicContact CB-CB 4.17Å; F112-C122 VanDerWaalsContact O-CB 3.27Å; F112-C122 WeakPolarHBondContact O-CB 3.12Å; F112-C122 PolarHBondContact O-N 2.77Å; C122-N124 PolarHBondContact SG-N 3.32Å; C122-H127 PolarHBondContact SG-ND1 3.36Å; C122-H127 VanDerWaalsContact SG-ND1 3.44Å; C122-Y128 PolarHBondContact O-OH 2.97Å; C122-Y128 VanDerWaalsContact O-OH 3.04Å
123I97.5Very high94.6Very high0 Ų055.7 Ų55.70%028%0.282CS..  trans-121.82.6175.362.975.8000112.4L38 L52 V66 I68 P85 Y89 P125L38-I123 HydrophobicContact CD1-CD1 4.15Å; L38-I123 HydrophobicContact CD1-CG1 4.07Å; L38-I123 HydrophobicContact CD2-CD1 4.01Å; L52-I123 HydrophobicContact CD1-CD1 4.02Å; L52-I123 HydrophobicContact CD2-CD1 4.2Å; V66-I123 HydrophobicContact CB-CD1 3.94Å; V66-I123 HydrophobicContact CB-CG1 4.45Å; V66-I123 HydrophobicContact CG1-CD1 3.52Å; V66-I123 HydrophobicContact CG1-CG1 4.09Å; V66-I123 WeakPolarHBondContact O-CG1 3.46Å; V66-I123 PolarHBondContact O-N 3Å; I68-I123 HydrophobicContact CD1-CG2 4.12Å; I68-I123 HydrophobicContact CG1-CG2 4.01Å; I68-I123 HydrophobicContact CG2-CG1 4.37Å; P85-I123 HydrophobicContact CB-CG2 3.9Å; Y89-I123 HydrophobicContact CD2-CB 3.53Å; Y89-I123 HydrophobicContact CD2-CG1 4.25Å; Y89-I123 HydrophobicContact CD2-CG2 3.53Å; Y89-I123 HydrophobicContact CE2-CB 4.22Å; Y89-I123 HydrophobicContact CE2-CG2 3.9Å; Y89-I123 HydrophobicContact CG-CB 4.21Å; I123-P125 VanDerWaalsContact O-CD 3.29Å; I123-P125 WeakPolarHBondContact O-CD 3.32Å
124N97.2Very high94Very high0 Ų057.5 Ų57.50%029%0.294CS..  trans-64.5113.7174.1-179.2-15000108.5S63 K64 V66 C122 Y126 H127 Y128S63-N124 PolarHBondContact OG-ND2 3.2Å; K64-N124 PolarHBondContact O-ND2 3.11Å; V66-N124 HydrophobicContact CB-CB 4.29Å; V66-N124 HydrophobicContact CG2-CB 4.33Å; C122-N124 PolarHBondContact SG-N 3.32Å; N124-Y126 PolarHBondContact O-N 2.74Å; N124-Y126 PolarHBondContact OD1-N 3.29Å; N124-H127 HydrophobicContact CB-CB 4.35Å; N124-H127 PolarHBondContact ND2-CD2 2.76Å; N124-H127 PolarHBondContact ND2-NE2 2.83Å; N124-H127 WeakPolarHBondContact O-CB 3.32Å; N124-H127 PolarHBondContact O-N 3.01Å; N124-Y128 WeakPolarHBondContact O-CD2 3.27Å
125P97Very high93.8Very high0 Ų062.7 Ų62.70%033%0.328CS..G310 helixtrans-68.6-17.9-17332-38.9000112.7L56 W93 R94 I123 H127L56-P125 HydrophobicContact CD2-CG 3.82Å; W93-P125 HydrophobicContact CB-CB 4.5Å; W93-P125 HydrophobicContact CB-CG 4.09Å; W93-P125 HydrophobicContact CE3-CG 4.02Å; R94-P125 WeakPolarHBondContact CD-O 3.46Å; R94-P125 HydrophobicContact CG-CB 3.89Å; R94-P125 HydrophobicContact CG-CG 4.46Å; R94-P125 PolarHBondContact NH1-O 2.61Å; I123-P125 VanDerWaalsContact O-CD 3.29Å; I123-P125 WeakPolarHBondContact O-CD 3.32Å; P125-H127 VanDerWaalsContact C-N 3.3Å
126Y97.1Very high93.7Very high42 Ų4260.7 Ų60.717%0.16530%0.302CS..G310 helixtrans-85.20.8174.9-60.7-73.1000113.8A55 L56 P59 L107 N124 Y128A55-Y126 HydrophobicContact CB-CD2 4.33Å; A55-Y126 WeakPolarHBondContact O-CD2 3.21Å; A55-Y126 WeakPolarHBondContact O-CE2 3.33Å; L56-Y126 HydrophobicContact CD2-CE2 4.19Å; P59-Y126 HydrophobicContact CB-CE1 3.78Å; P59-Y126 WeakPolarHBondContact CB-OH 3.43Å; P59-Y126 WeakPolarHBondContact CG-OH 3.39Å; L107-Y126 WeakPolarHBondContact CD1-O 3.45Å; N124-Y126 PolarHBondContact O-N 2.74Å; N124-Y126 PolarHBondContact OD1-N 3.29Å; Y126-Y128 VanDerWaalsContact C-N 3.28Å
127H97.5Very high93.7Very high1 Ų162.7 Ų62.71%0.00531%0.314CS..G310 helixtrans-91.96.7170.2-75.1-157.2000112.7S63 K64 C65 P106 L107 C110 C122 N124 P125S63-H127 PolarHBondContact O-CE1 2.91Å; S63-H127 PolarHBondContact O-NE2 2.9Å; K64-H127 PolarHBondContact O-CE1 3.09Å; C65-H127 VanDerWaalsContact CA-CE1 3.47Å; C65-H127 WeakPolarHBondContact CA-CE1 3.12Å; C65-H127 PolarHBondContact N-CE1 3.13Å; C65-H127 VanDerWaalsContact N-CE1 3.28Å; C65-H127 PolarHBondContact SG-CE1 3.14Å; C65-H127 PolarHBondContact SG-ND1 3.48Å; P106-H127 WeakPolarHBondContact CA-O 3.35Å; L107-H127 PolarHBondContact N-O 3.04Å; C110-H127 HydrophobicContact CB-CB 4.01Å; C122-H127 PolarHBondContact SG-ND1 3.36Å; C122-H127 VanDerWaalsContact SG-ND1 3.44Å; N124-H127 HydrophobicContact CB-CB 4.35Å; N124-H127 PolarHBondContact ND2-CD2 2.76Å; N124-H127 PolarHBondContact ND2-NE2 2.83Å; N124-H127 WeakPolarHBondContact O-CB 3.32Å; N124-H127 PolarHBondContact O-N 3.01Å; P125-H127 VanDerWaalsContact C-N 3.3Å
128Y97.1Very high93.8Very high5 Ų557.1 Ų57.12%0.0230%0.296CS..EExtended strand (participates in β ladder)trans-126.2148.6176.8-61.3-89.6000109.3H86 R94 L104 K105 P106 C122 N124 Y126H86-Y128 HydrophobicContact CB-CE1 4.05Å; H86-Y128 HydrophobicContact CB-CE2 3.81Å; H86-Y128 VanDerWaalsContact CB-CZ 3.49Å; H86-Y128 WeakPolarHBondContact CB-OH 3.41Å; H86-Y128 AromaticContact CD2-CE1 3.79Å; R94-Y128 PolarHBondContact NH1-O 3.49Å; L104-Y128 HydrophobicContact CB-CD1 4.36Å; K105-Y128 CarbonylContact O-C 3.6Å; K105-Y128 WeakPolarHBondContact O-CA 3.21Å; P106-Y128 HydrophobicContact CB-CD1 4.38Å; P106-Y128 HydrophobicContact CB-CE1 4.29Å; C122-Y128 PolarHBondContact O-OH 2.97Å; C122-Y128 VanDerWaalsContact O-OH 3.04Å; N124-Y128 WeakPolarHBondContact O-CD2 3.27Å; Y126-Y128 VanDerWaalsContact C-N 3.28Å
129K95.6Very high93.8Very high111 Ų11153.7 Ų53.748%0.48328%0.28SS..EExtended strand (participates in β ladder)trans-116.5146.2165.460.1-179.5177.4-1760109L104 K105 L107L104-K129 WeakPolarHBondContact CA-O 3.44Å; K105-K129 HydrophobicContact CB-CG 4.03Å; K105-K129 PolarHBondContact N-O 2.93Å; K105-K129 PolarHBondContact O-N 3.03Å; L107-K129 HydrophobicContact CD2-CB 3.98Å; L107-K129 HydrophobicContact CD2-CD 3.87Å; L107-K129 HydrophobicContact CD2-CG 3.93Å
130R95.1Very high93.7Very high62 Ų6248.9 Ų48.923%0.23426%0.264CS..EExtended strand (participates in β ladder)trans-73.9143.9172-163.7171.6-172.2176.70.2108.7W95 D97 E103 E132W95-R130 HydrophobicContact CD2-CB 4.24Å; W95-R130 HydrophobicContact CE3-CB 4.48Å; W95-R130 HydrophobicContact CH2-CB 3.84Å; W95-R130 VanDerWaalsContact CH2-N 3.31Å; W95-R130 HydrophobicContact CZ2-CB 3.56Å; W95-R130 HydrophobicContact CZ3-CB 4.32Å; D97-R130 VanDerWaalsContact CG-NH1 3.27Å; D97-R130 IonicContact OD1-CZ 2.7Å; D97-R130 IonicContact OD1-NH1 3.81Å; D97-R130 PolarHBondContact OD1-NH1 3.17Å; D97-R130 IonicContact OD1-NH2 3.03Å; D97-R130 IonicContact OD2-CZ 3.97Å; D97-R130 IonicContact OD2-NH1 3.2Å; D97-R130 PolarHBondContact OD2-NH1 2.66Å; D97-R130 IonicContact OD2-NH2 2.76Å; D97-R130 PolarHBondContact OD2-NH2 2.93Å; E103-R130 CarbonylContact O-C 3.5Å; E103-R130 VanDerWaalsContact O-CA 3.24Å; E103-R130 WeakPolarHBondContact O-CA 3.36Å; E103-R130 WeakPolarHBondContact O-CG 3.38Å; E103-R130 IonicContact OE2-CZ 2.77Å; E103-R130 IonicContact OE2-NE 3.57Å; E103-R130 PolarHBondContact OE2-NE 2.99Å; E103-R130 IonicContact OE2-NH2 3.45Å; E103-R130 PolarHBondContact OE2-NH2 2.72Å; R130-E132 PolarHBondContact O-N 2.92Å
131V93.9Very high93.4Very high31 Ų3146.3 Ų46.319%0.18825%0.252CS..PPolyproline II helixtrans-73.2118.4170.7-178.40000107.6E103 K105 V339E103-V131 PolarHBondContact O-N 2.8Å; K105-V131 HydrophobicContact CD-CG2 3.98Å; K105-V131 HydrophobicContact CG-CG2 3.83Å; V131-V339 HydrophobicContact CB-CG2 3.69Å; V131-V339 HydrophobicContact CG1-CG2 3.79Å; V131-V339 HydrophobicContact CG2-CG2 4.2Å
132E87.5Confident92.8Very high169 Ų16948 Ų4879%0.7926%0.263SS*.PPolyproline II helixtrans-90.2143.1178.2-67.1172.7-173.300109.9R130R130-E132 PolarHBondContact O-N 2.92Å
133S84.5Confident91.7Very high65 Ų6555.1 Ų55.146%0.45529%0.289SS..PPolyproline II helixtrans-76.6129.4169.9-63.10000109.4G340 G341S133-G340 WeakPolarHBondContact OG-CA 3.34Å; S133-G341 PolarHBondContact OG-N 3.15Å
134P85.5Confident90.2Very high61 Ų6161.7 Ų61.740%0.39632%0.32SS..PPolyproline II helixtrans-63.2143.4175.727.9-33000109.8L136 G340P134-L136 PolarHBondContact O-N 3.32Å; P134-G340 WeakPolarHBondContact CD-O 3.42Å
135V88.5Confident88.2Confident147 Ų14765.2 Ų65.289%0.89134%0.339SS*.PPolyproline II helixtrans-70.2117.1171.1-178.90000108
136L91.9Very high86.2Confident24 Ų2474.5 Ų74.513%0.12638%0.382CS..PPolyproline II helixtrans-82.2132.1179.8-60.9170.9000110P134 Y265 N385 Q386 A389 W446P134-L136 PolarHBondContact O-N 3.32Å; L136-Y265 HydrophobicContact CD1-CD1 4.07Å; L136-Y265 HydrophobicContact CD1-CD2 4.21Å; L136-Y265 HydrophobicContact CD1-CE1 4.48Å; L136-Y265 HydrophobicContact CD1-CG 3.91Å; L136-N385 HydrophobicContact CD1-CB 3.87Å; L136-Q386 HydrophobicContact CD2-CB 4.13Å; L136-A389 HydrophobicContact CD2-CB 4.33Å; L136-W446 HydrophobicContact CB-CH2 3.77Å; L136-W446 HydrophobicContact CB-CZ3 4.21Å; L136-W446 HydrophobicContact CD1-CH2 4.21Å; L136-W446 HydrophobicContact CD1-CZ3 3.77Å
137P91.3Very high84.3Confident90 Ų9075 Ų7558%0.58439%0.385SS*.PPolyproline II helixtrans-66.3145.4177.228.7-34.2000110.5W446P137-W446 WeakPolarHBondContact O-CZ2 3.31Å
138P93.8Very high82.2Confident64 Ų6479.3 Ų79.342%0.41641%0.408SS..PPolyproline II helixtrans-64.5144.2175.428.2-34.3000110.8P262 V263 A264P138-P262 HydrophobicContact CB-CB 4.12Å; P138-P262 HydrophobicContact CG-CB 4.41Å; P138-V263 WeakPolarHBondContact CA-O 3.43Å; P138-A264 HydrophobicContact CB-CB 4.45Å
139V93.2Very high80.1Confident3 Ų384.5 Ų84.52%0.01844%0.443CS..EExtended strand (participates in β ladder)trans-79129.1172172.40000108.4V141 P262 V263 L392 A393 V396 W446 V450V139-V141 HydrophobicContact CG1-CG2 4.44Å; V139-P262 CarbonylContact O-C 3.55Å; V139-V263 PolarHBondContact N-O 2.89Å; V139-V263 PolarHBondContact O-N 3.35Å; V139-L392 HydrophobicContact CG1-CG 4.44Å; V139-L392 HydrophobicContact CG2-CB 4.41Å; V139-L392 HydrophobicContact CG2-CD2 3.96Å; V139-L392 HydrophobicContact CG2-CG 3.9Å; V139-A393 HydrophobicContact CG2-CB 4.29Å; V139-V396 HydrophobicContact CG1-CG2 3.66Å; V139-W446 HydrophobicContact CG2-CH2 4.43Å; V139-W446 HydrophobicContact CG2-CZ2 3.69Å; V139-V450 HydrophobicContact CB-CG2 4.03Å; V139-V450 HydrophobicContact CG1-CG1 4.44Å; V139-V450 HydrophobicContact CG1-CG2 3.87Å
140L92.6Very high78Confident94 Ų9486.8 Ų86.849%0.49246%0.455SS..EExtended strand (participates in β ladder)trans-93.4118.4179.1-57.4-177.1000109.5V260 P262L140-V260 HydrophobicContact CB-CB 4.25Å; L140-P262 HydrophobicContact CD2-CB 3.86Å
141V90.4Very high75.9Confident2 Ų290.4 Ų90.41%0.01247%0.474CS..EExtended strand (participates in β ladder)trans-102.2118.6178.6-173.10000110V139 V260 Q261 V263 V396 V450 Q453 M454V139-V141 HydrophobicContact CG1-CG2 4.44Å; V141-V260 CarbonylContact O-C 3.5Å; V141-V260 WeakPolarHBondContact O-CA 3.31Å; V141-Q261 PolarHBondContact N-O 3.31Å; V141-Q261 PolarHBondContact O-N 2.9Å; V141-V263 HydrophobicContact CG2-CG2 3.98Å; V141-V396 HydrophobicContact CG1-CG1 4.4Å; V141-V450 HydrophobicContact CG2-CB 4.47Å; V141-V450 HydrophobicContact CG2-CG1 3.9Å; V141-V450 HydrophobicContact CG2-CG2 4.41Å; V141-Q453 HydrophobicContact CB-CB 4.1Å; V141-Q453 HydrophobicContact CG1-CB 3.83Å; V141-Q453 HydrophobicContact CG2-CB 4.24Å; V141-M454 HydrophobicContact CG1-CG 3.68Å
142P83.7Confident73.7Confident37 Ų3790 Ų9024%0.2447%0.472CS..EExtended strand (participates in β ladder)trans-61.3136.8173.9-21.433000111.5H144 V396P142-H144 VanDerWaalsContact C-N 3.35Å; P142-V396 VanDerWaalsContact CD-CG1 3.48Å
143R75.2Confident72.1Confident150 Ų15084.4 Ų84.457%0.56645%0.448SS*.SBendtrans-78.4-17.8176.9-70.1-175.5176.1165.2-1113.7D259R143-D259 PolarHBondContact N-O 3.23Å
144H65.5Low70.5Confident138 Ų13882.7 Ų82.764%0.63943%0.434SS*.SBendtrans-123.6113.2-178.9-58.698.7000109.7P142 E146P142-H144 VanDerWaalsContact C-N 3.35Å; H144-E146 PolarHBondContact O-N 2.89Å; H144-E146 VanDerWaalsContact O-N 3.15Å
145N56.2Low68.6Low74 Ų7483.3 Ų83.340%0.39644%0.436SS..  trans-80.183.9178.5-82.9-10.4000110.9F147 M454N145-F147 HydrophobicContact CB-CD2 3.77Å; N145-F147 HydrophobicContact CB-CE2 3.82Å; N145-F147 VanDerWaalsContact ND2-CE2 3.31Å; N145-F147 WeakPolarHBondContact ND2-CE2 3.48Å; N145-F147 WeakPolarHBondContact OD1-CE2 3.22Å; N145-F147 VanDerWaalsContact OD1-CZ 3.28Å; N145-F147 WeakPolarHBondContact OD1-CZ 3.24Å; N145-M454 PolarHBondContact ND2-O 3.44Å
146E54.9Low66.9Low194 Ų19482.3 Ų82.391%0.90742%0.422SS*.  trans-95.777.7152.8-70.3-168.617000107.8H144 N148H144-E146 PolarHBondContact O-N 2.89Å; H144-E146 VanDerWaalsContact O-N 3.15Å; E146-N148 PolarHBondContact O-N 3.43Å
147F56.3Low65Low53 Ų5384.3 Ų84.323%0.23243%0.429CS..  trans-73.5123.2178-82.1-61.2000110.4N145 P149 V396 N397 G399 M454N145-F147 HydrophobicContact CB-CD2 3.77Å; N145-F147 HydrophobicContact CB-CE2 3.82Å; N145-F147 VanDerWaalsContact ND2-CE2 3.31Å; N145-F147 WeakPolarHBondContact ND2-CE2 3.48Å; N145-F147 WeakPolarHBondContact OD1-CE2 3.22Å; N145-F147 VanDerWaalsContact OD1-CZ 3.28Å; N145-F147 WeakPolarHBondContact OD1-CZ 3.24Å; F147-P149 VanDerWaalsContact O-CD 3.25Å; F147-P149 WeakPolarHBondContact O-CD 3.34Å; F147-V396 WeakPolarHBondContact CE1-O 3.41Å; F147-V396 WeakPolarHBondContact CZ-O 3.23Å; F147-N397 WeakPolarHBondContact CD1-O 3.42Å; F147-G399 VanDerWaalsContact CE1-CA 3.48Å; F147-M454 HydrophobicContact CE2-CE 4.38Å; F147-M454 HydrophobicContact CZ-CE 3.67Å
148N53.5Low63Low92 Ų9287.2 Ų87.249%0.49243%0.429SS..  trans-88.4107.6163.9-172.2-6000109E146 Q150E146-N148 PolarHBondContact O-N 3.43Å; N148-Q150 PolarHBondContact O-N 2.95Å; N148-Q150 PolarHBondContact OD1-N 3.13Å
149P53.5Low60.7Low114 Ų11489.2 Ų89.274%0.7444%0.436SS*.G310 helixtrans-66-9.7-175.424.3-32.3000114.3F147 H151F147-P149 VanDerWaalsContact O-CD 3.25Å; F147-P149 WeakPolarHBondContact O-CD 3.34Å; P149-H151 VanDerWaalsContact C-N 3.34Å; P149-H151 PolarHBondContact O-N 3.42Å
150Q50.1Low58.7Low158 Ų15891.8 Ų91.874%0.73845%0.449SS*.G310 helixtrans-77.6-9.4-171.8-63.1-173.7-8.500115.4N148N148-Q150 PolarHBondContact O-N 2.95Å; N148-Q150 PolarHBondContact OD1-N 3.13Å
151H51Low56.6Low139 Ų13991.2 Ų91.264%0.64445%0.453SS*.G310 helixtrans-111.110.5-172.9-88.9-79000115.9P149 L153 H398P149-H151 VanDerWaalsContact C-N 3.34Å; P149-H151 PolarHBondContact O-N 3.42Å; H151-L153 PolarHBondContact O-N 2.73Å; H151-H398 VanDerWaalsContact C-CD2 3.44Å; H151-H398 PolarHBondContact O-CD2 3.27Å; H151-H398 PolarHBondContact O-NE2 3.41Å
152S48.3Very low54.6Low21 Ų2198.8 Ų98.815%0.14749%0.488CS..  trans-53.5122.8-174.2-155.30000113.3L154 V155 H398S152-L154 PolarHBondContact O-N 3.33Å; S152-L154 WeakPolarHBondContact OG-CB 3.14Å; S152-L154 VanDerWaalsContact OG-CD1 3.3Å; S152-L154 WeakPolarHBondContact OG-CD1 3.46Å; S152-L154 WeakPolarHBondContact OG-CG 3.44Å; S152-L154 PolarHBondContact OG-N 3.02Å; S152-V155 WeakPolarHBondContact O-CB 3.3Å; S152-V155 WeakPolarHBondContact O-CG2 3.23Å; S152-V155 PolarHBondContact O-N 2.82Å; S152-H398 WeakPolarHBondContact CA-CD2 3.49Å
153L53.4Low53Low53 Ų53105.4 Ų105.428%0.27752%0.521SS..THydrogen-bonded Turntrans-59.1-9.9162.1-73.8175.2000112.3H151 V155 Q156 Q394H151-L153 PolarHBondContact O-N 2.73Å; L153-V155 PolarHBondContact O-N 2.97Å; L153-V155 VanDerWaalsContact O-N 3.08Å; L153-Q156 PolarHBondContact O-N 3.32Å; L153-Q394 HydrophobicContact CD1-CB 3.61Å; L153-Q394 HydrophobicContact CD1-CG 4.29Å
154L51Low52Low29 Ų29102.8 Ų102.815%0.15252%0.515CS..Hα-helixtrans-53.4-19.9160.9-65.4175000111.8S152 Q156 F157 R158 A402S152-L154 PolarHBondContact O-N 3.33Å; S152-L154 WeakPolarHBondContact OG-CB 3.14Å; S152-L154 VanDerWaalsContact OG-CD1 3.3Å; S152-L154 WeakPolarHBondContact OG-CD1 3.46Å; S152-L154 WeakPolarHBondContact OG-CG 3.44Å; S152-L154 PolarHBondContact OG-N 3.02Å; L154-Q156 PolarHBondContact O-N 2.95Å; L154-F157 HydrophobicContact CD2-CB 4.3Å; L154-F157 CarbonylContact O-C 3.59Å; L154-F157 PolarHBondContact O-N 3.47Å; L154-F157 VanDerWaalsContact O-N 3.09Å; L154-R158 HydrophobicContact CB-CB 4.29Å; L154-R158 WeakPolarHBondContact O-CA 3.23Å; L154-R158 WeakPolarHBondContact O-CB 3.48Å; L154-R158 PolarHBondContact O-N 3.24Å; L154-A402 HydrophobicContact CD1-CB 4.4Å; L154-A402 HydrophobicContact CG-CB 4.39Å
155V45.9Very low51.5Low73 Ų73100.1 Ų100.144%0.44251%0.511SS..Hα-helixtrans-56.4-36.6170.9172.20000110.6S152 L153 N159S152-V155 WeakPolarHBondContact O-CB 3.3Å; S152-V155 WeakPolarHBondContact O-CG2 3.23Å; S152-V155 PolarHBondContact O-N 2.82Å; L153-V155 PolarHBondContact O-N 2.97Å; L153-V155 VanDerWaalsContact O-N 3.08Å; V155-N159 WeakPolarHBondContact CG1-ND2 3.22Å; V155-N159 VanDerWaalsContact O-CA 3.32Å; V155-N159 WeakPolarHBondContact O-CA 3.35Å; V155-N159 WeakPolarHBondContact O-CB 3.14Å; V155-N159 PolarHBondContact O-N 3.25Å; V155-N159 PolarHBondContact O-OD1 2.83Å
156Q52.6Low52Low127 Ų127106.3 Ų106.359%0.59354%0.537SS*.Hα-helixtrans-77-36.5172.1-82.3175.8-2100113.3L153 L154 L160L153-Q156 PolarHBondContact O-N 3.32Å; L154-Q156 PolarHBondContact O-N 2.95Å; Q156-L160 WeakPolarHBondContact O-CD1 3.27Å
157F53.1Low53Low66 Ų6699.9 Ų99.929%0.28951%0.507SS..Hα-helixtrans-80-17.4179.7-68.8-74.4000114.6L154 F362 P368L154-F157 HydrophobicContact CD2-CB 4.3Å; L154-F157 CarbonylContact O-C 3.59Å; L154-F157 PolarHBondContact O-N 3.47Å; L154-F157 VanDerWaalsContact O-N 3.09Å; F157-F362 HydrophobicContact CZ-CD2 4.01Å; F157-F362 HydrophobicContact CZ-CE2 4.46Å; F157-P368 HydrophobicContact CD1-CB 4.5Å; F157-P368 HydrophobicContact CD1-CG 3.74Å; F157-P368 HydrophobicContact CE1-CG 3.95Å
158R49.5Very low54.3Low151 Ų15197.9 Ų97.957%0.5750%0.499SS*.Hα-helixtrans-117.4-30.2-171.8-143.2-179.9-158170.57.7110L154 L160 S161L154-R158 HydrophobicContact CB-CB 4.29Å; L154-R158 WeakPolarHBondContact O-CA 3.23Å; L154-R158 WeakPolarHBondContact O-CB 3.48Å; L154-R158 PolarHBondContact O-N 3.24Å; R158-L160 PolarHBondContact O-N 3.41Å; R158-S161 VanDerWaalsContact O-CB 3.22Å; R158-S161 WeakPolarHBondContact O-CB 3.42Å; R158-S161 PolarHBondContact O-N 2.96Å; R158-S161 PolarHBondContact O-OG 3.45Å
159N45.4Very low56Low106 Ų106100.9 Ų100.957%0.56751%0.51SS*.G310 helixtrans-75.8-8.5175-64.56.6000114.3V155 S161V155-N159 WeakPolarHBondContact CG1-ND2 3.22Å; V155-N159 VanDerWaalsContact O-CA 3.32Å; V155-N159 WeakPolarHBondContact O-CA 3.35Å; V155-N159 WeakPolarHBondContact O-CB 3.14Å; V155-N159 PolarHBondContact O-N 3.25Å; V155-N159 PolarHBondContact O-OD1 2.83Å; N159-S161 PolarHBondContact O-N 3.37Å
160L51.5Low57.7Low57 Ų5796 Ų9630%0.29848%0.478SS..G310 helixtrans-68.5-5.5163.2-71.5157.1000111.8Q156 R158 E164 P368Q156-L160 WeakPolarHBondContact O-CD1 3.27Å; R158-L160 PolarHBondContact O-N 3.41Å; L160-E164 HydrophobicContact CB-CG 4.49Å; L160-E164 HydrophobicContact CD2-CG 3.8Å; L160-E164 WeakPolarHBondContact O-CB 3.23Å; L160-P368 HydrophobicContact CD1-CG 4.5Å
161S47.9Very low59.6Low81 Ų8188.7 Ų88.757%0.56644%0.444SS*.G310 helixtrans-90.61.4-179.271.60000115.6R158 N159R158-S161 VanDerWaalsContact O-CB 3.22Å; R158-S161 WeakPolarHBondContact O-CB 3.42Å; R158-S161 PolarHBondContact O-N 2.96Å; R158-S161 PolarHBondContact O-OG 3.45Å; N159-S161 PolarHBondContact O-N 3.37Å
162H48.2Very low61.6Low162 Ų16283.8 Ų83.875%0.7543%0.425SS*.SBendtrans-12398.1176.6-72.516.8000109.3
163N50.5Low63.5Low175 Ų17585 Ų8594%0.93643%0.427SS*.SBendtrans908.9179.9-73.9-10.6000120.5
164E53.9Low65.1Low95 Ų9586 Ų8644%0.44444%0.437SS..  trans-85.1148.8171.4-82.8-93.110500112.7L160 H367L160-E164 HydrophobicContact CB-CG 4.49Å; L160-E164 HydrophobicContact CD2-CG 3.8Å; L160-E164 WeakPolarHBondContact O-CB 3.23Å; E164-H367 IonicContact OE2-CD2 3.85Å
165P54.9Low66.8Low83 Ų8390.6 Ų90.654%0.53946%0.461SS..  trans-54.1143.1172.222.7-31.8000110.7M167P165-M167 PolarHBondContact O-N 3.12Å
166H66Low68.6Low204 Ų20489.4 Ų89.494%0.94446%0.456SS*.SBendtrans-52.6-16.1-177.2-113.4-71.2000114.8
167M76.7Confident70.2Confident59 Ų5984.5 Ų84.529%0.29143%0.433SS..SBendtrans-143.2129.2173.7-165.168.775.200109.6P165 A422 Q427P165-M167 PolarHBondContact O-N 3.12Å; M167-A422 HydrophobicContact CB-CB 3.88Å; M167-A422 HydrophobicContact CG-CB 3.67Å; M167-A422 VanDerWaalsContact CG-N 3.31Å; M167-Q427 HydrophobicContact CE-CB 3.82Å; M167-Q427 HydrophobicContact CE-CG 4.47Å; M167-Q427 WeakPolarHBondContact CE-O 3.12Å; M167-Q427 VanDerWaalsContact CE-OE1 3.27Å
168P83.2Confident71.1Confident10 Ų1088.9 Ų88.97%0.06545%0.454CS..PPolyproline II helixtrans-72.6156.1-179.633.8-40.8000112.4H367 T369 A422P168-H367 HydrophobicContact CB-CB 3.3Å; P168-H367 HydrophobicContact CG-CB 3.84Å; P168-H367 WeakPolarHBondContact CG-ND1 3.47Å; P168-T369 VanDerWaalsContact CG-OG1 3.31Å; P168-T369 WeakPolarHBondContact CG-OG1 3.45Å; P168-A422 WeakPolarHBondContact O-CB 3.29Å
169Q88.7Confident71.3Confident155 Ų15589.7 Ų89.772%0.72447%0.465SS*.PPolyproline II helixtrans-59.2144.5174-69-179.2-100111.5T370Q169-T370 WeakPolarHBondContact O-CG2 3.28Å; Q169-T370 PolarHBondContact O-OG1 2.84Å; Q169-T370 VanDerWaalsContact O-OG1 3.12Å
170N90Very high71.4Confident13 Ų1390.3 Ų90.37%0.0747%0.474CS..PPolyproline II helixtrans-81.1158.6174.4-65.5-36.4000109.8V371 E423 Y424N170-V371 WeakPolarHBondContact CA-O 3.45Å; N170-V371 WeakPolarHBondContact CB-O 3.45Å; N170-E423 HydrophobicContact CB-CG 4.27Å; N170-E423 PolarHBondContact ND2-N 3.01Å; N170-Y424 HydrophobicContact CB-CE2 4.5Å; N170-Y424 WeakPolarHBondContact ND2-CD2 3.16Å; N170-Y424 VanDerWaalsContact ND2-CE2 3.27Å; N170-Y424 WeakPolarHBondContact ND2-CE2 3.32Å
171A90.8Very high70.6Confident3 Ų394.4 Ų94.43%0.02550%0.496CS..EExtended strand (participates in β ladder)trans-113.6143.7176.300000109.9F177 F366 T370 V371 C372 K373A171-F177 HydrophobicContact CB-CE2 4.1Å; A171-F177 HydrophobicContact CB-CZ 4.42Å; A171-F366 HydrophobicContact CB-CD2 4.15Å; A171-F366 HydrophobicContact CB-CE2 3.71Å; A171-F366 HydrophobicContact CB-CZ 3.98Å; A171-T370 HydrophobicContact CB-CG2 4.01Å; A171-V371 PolarHBondContact N-O 2.83Å; A171-C372 CarbonylContact O-C 3.5Å; A171-C372 WeakPolarHBondContact O-CA 3.47Å; A171-K373 PolarHBondContact O-N 3.48Å
172T91.5Very high69.9Low37 Ų3797.9 Ų97.923%0.22751%0.509CS..EExtended strand (participates in β ladder)trans-116.6125.2172.1-64.30000109.5P174 D175 S176 K373T172-P174 CarbonylContact O-C 3.51Å; T172-D175 PolarHBondContact O-N 3.39Å; T172-S176 PolarHBondContact N-OG 3.49Å; T172-S176 PolarHBondContact O-N 2.88Å; T172-S176 PolarHBondContact O-OG 3.39Å; T172-K373 HydrophobicContact CG2-CB 4.44Å; T172-K373 HydrophobicContact CG2-CD 4.15Å
173F88.1Confident69Low47 Ų4796.4 Ų96.421%0.20651%0.511CS..THydrogen-bonded Turntrans-80.7136.9176.9-171.5-91.2000110.9F177 K373 P375 C378 L380F173-F177 HydrophobicContact CB-CD2 3.96Å; F173-F177 HydrophobicContact CB-CE2 3.67Å; F173-F177 HydrophobicContact CB-CZ 4.31Å; F173-F177 HydrophobicContact CD2-CB 4.16Å; F173-F177 AromaticContact CD2-CD1 3.84Å; F173-F177 HydrophobicContact CD2-CD1 3.84Å; F173-F177 AromaticContact CD2-CD2 3.53Å; F173-F177 HydrophobicContact CD2-CD2 3.53Å; F173-F177 HydrophobicContact CD2-CE1 4.09Å; F173-F177 AromaticContact CD2-CE2 3.79Å; F173-F177 HydrophobicContact CD2-CE2 3.79Å; F173-F177 AromaticContact CD2-CG 3.57Å; F173-F177 HydrophobicContact CD2-CG 3.57Å; F173-F177 HydrophobicContact CD2-CZ 4.05Å; F173-F177 HydrophobicContact CE2-CB 4.31Å; F173-F177 HydrophobicContact CE2-CD1 4.25Å; F173-F177 HydrophobicContact CE2-CD2 4.47Å; F173-F177 HydrophobicContact CE2-CG 4.1Å; F173-F177 HydrophobicContact CG-CD2 4.18Å; F173-F177 HydrophobicContact CG-CE2 4.24Å; F173-K373 WeakPolarHBondContact CB-O 3.19Å; F173-K373 PolarHBondContact N-O 3.49Å; F173-P375 VanDerWaalsContact O-CD 3.24Å; F173-P375 WeakPolarHBondContact O-CD 3.27Å; F173-P375 VanDerWaalsContact O-CG 3.31Å; F173-P375 WeakPolarHBondContact O-CG 3.44Å; F173-C378 HydrophobicContact CD1-CB 4Å; F173-C378 HydrophobicContact CE1-CB 4.34Å; F173-L380 HydrophobicContact CD2-CD1 3.72Å; F173-L380 HydrophobicContact CE2-CD1 3.82Å
174P87.2Confident68.3Low74 Ų7493.7 Ų93.748%0.48150%0.503SS..THydrogen-bonded Turncis-90.4-5.1-1.436-34.5000114.7T172 S176 F177T172-P174 CarbonylContact O-C 3.51Å; P174-S176 PolarHBondContact O-N 3.15Å; P174-F177 WeakPolarHBondContact O-CB 3.34Å; P174-F177 PolarHBondContact O-N 3.4Å
175D87.6Confident67.4Low124 Ų12498.5 Ų98.566%0.66352%0.523SS*.THydrogen-bonded Turntrans-57.4-41.2-166.9-59.4-33.3000114.3T172 F177 H178T172-D175 PolarHBondContact O-N 3.39Å; D175-F177 VanDerWaalsContact C-N 3.3Å; D175-F177 PolarHBondContact O-N 3.12Å; D175-H178 PolarHBondContact O-CE1 3Å
176S82.7Confident66.5Low48 Ų48100.3 Ų100.334%0.33654%0.535SS..THydrogen-bonded Turntrans-80.6-8.1179.7-51.90000113.7T172 P174 H178 F366T172-S176 PolarHBondContact N-OG 3.49Å; T172-S176 PolarHBondContact O-N 2.88Å; T172-S176 PolarHBondContact O-OG 3.39Å; P174-S176 PolarHBondContact O-N 3.15Å; S176-H178 PolarHBondContact O-N 3.06Å; S176-F366 WeakPolarHBondContact O-CZ 3.33Å
177F86.3Confident65.2Low24 Ų2499 Ų9911%0.10553%0.534CS..  trans-99.777.1-169.9-67.7-107.3000109.5A171 F173 P174 D175 H364 F366 C372 L380A171-F177 HydrophobicContact CB-CE2 4.1Å; A171-F177 HydrophobicContact CB-CZ 4.42Å; F173-F177 HydrophobicContact CB-CD2 3.96Å; F173-F177 HydrophobicContact CB-CE2 3.67Å; F173-F177 HydrophobicContact CB-CZ 4.31Å; F173-F177 HydrophobicContact CD2-CB 4.16Å; F173-F177 AromaticContact CD2-CD1 3.84Å; F173-F177 HydrophobicContact CD2-CD1 3.84Å; F173-F177 AromaticContact CD2-CD2 3.53Å; F173-F177 HydrophobicContact CD2-CD2 3.53Å; F173-F177 HydrophobicContact CD2-CE1 4.09Å; F173-F177 AromaticContact CD2-CE2 3.79Å; F173-F177 HydrophobicContact CD2-CE2 3.79Å; F173-F177 AromaticContact CD2-CG 3.57Å; F173-F177 HydrophobicContact CD2-CG 3.57Å; F173-F177 HydrophobicContact CD2-CZ 4.05Å; F173-F177 HydrophobicContact CE2-CB 4.31Å; F173-F177 HydrophobicContact CE2-CD1 4.25Å; F173-F177 HydrophobicContact CE2-CD2 4.47Å; F173-F177 HydrophobicContact CE2-CG 4.1Å; F173-F177 HydrophobicContact CG-CD2 4.18Å; F173-F177 HydrophobicContact CG-CE2 4.24Å; P174-F177 WeakPolarHBondContact O-CB 3.34Å; P174-F177 PolarHBondContact O-N 3.4Å; D175-F177 VanDerWaalsContact C-N 3.3Å; D175-F177 PolarHBondContact O-N 3.12Å; F177-H364 AromaticContact CD1-CD2 3.59Å; F177-H364 AromaticContact CD1-CE1 3.7Å; F177-H364 AromaticContact CD1-CG 3.9Å; F177-H364 AromaticContact CD1-ND1 3.97Å; F177-H364 AromaticContact CD1-NE2 3.46Å; F177-H364 WeakPolarHBondContact CD1-NE2 3.42Å; F177-H364 AromaticContact CE1-CE1 3.81Å; F177-H364 AromaticContact CE1-ND1 3.88Å; F177-F366 HydrophobicContact CD1-CE2 4.33Å; F177-F366 AromaticContact CE1-CE2 3.94Å; F177-F366 HydrophobicContact CE1-CE2 3.94Å; F177-F366 HydrophobicContact CE2-CE2 4.36Å; F177-F366 AromaticContact CZ-CE2 3.96Å; F177-F366 HydrophobicContact CZ-CE2 3.96Å; F177-C372 HydrophobicContact CZ-CB 4.02Å; F177-L380 HydrophobicContact CD1-CD1 4.01Å; F177-L380 HydrophobicContact CE1-CD1 3.51Å; F177-L380 HydrophobicContact CE1-CD2 4.05Å; F177-L380 HydrophobicContact CE1-CG 4.45Å; F177-L380 HydrophobicContact CZ-CD1 4.1Å; F177-L380 HydrophobicContact CZ-CD2 3.92Å
178H72.5Confident63.3Low158 Ų158101.6 Ų101.673%0.73156%0.558SS**  trans-76.5124.5170.5-67.3-7.7000109.4D175 S176D175-H178 PolarHBondContact O-CE1 3Å; S176-H178 PolarHBondContact O-N 3.06Å
179Q53.8Low61.2Low169 Ų169106.5 Ų106.579%0.7959%0.59SS**  trans-61138.6165.8-77.5-172.3-20.400108.2N181Q179-N181 PolarHBondContact O-N 2.56Å
180P47.7Very low58.9Low119 Ų119107.2 Ų107.277%0.77360%0.598SS**  trans-63.992.2164.525.9-30000107.2N182P180-N182 PolarHBondContact O-N 2.99Å
181N34.9Very low56.5Low142 Ų142112.1 Ų112.176%0.75963%0.634SS**  trans-68.2115.8174.3-143.715000105.9Q179 T183Q179-N181 PolarHBondContact O-N 2.56Å; N181-T183 PolarHBondContact O-N 3.33Å
182N32Very low54Low154 Ų154116.4 Ų116.482%0.82466%0.661SS**  trans-48.3107.2168.4-86.5-23.9000108.4P180 P184P180-N182 PolarHBondContact O-N 2.99Å; N182-P184 VanDerWaalsContact O-CD 3.25Å; N182-P184 WeakPolarHBondContact O-CD 3.29Å
183T30.3Very low51.8Low131 Ų131125.3 Ų125.380%0.80469%0.692SS**  trans-67.7118.9171.144.70000108.8N181N181-T183 PolarHBondContact O-N 3.33Å
184P35Very low50.1Low119 Ų119128.3 Ų128.377%0.77372%0.716SS**  trans-74.7136.6161.9-2.421.9000108.2N182N182-P184 VanDerWaalsContact O-CD 3.25Å; N182-P184 WeakPolarHBondContact O-CD 3.29Å
185F34.8Very low47.8Very low196 Ų196130.7 Ų130.786%0.8673%0.732SS**  trans-42.5145.8178.6-64.6-90.9000114.6
186P36.1Very low45.8Very low120 Ų120130.6 Ų130.678%0.77974%0.741SS**PPolyproline II helixtrans-80.7125.7-176.332.3-30.6000110.8
187L39.6Very low43.6Very low177 Ų177134.3 Ų134.393%0.92776%0.764SS**PPolyproline II helixtrans-99.4131.5161.3-82.6162.7000109.5
188S37.4Very low41.5Very low114 Ų114137.4 Ų137.480%0.79779%0.794SS**PPolyproline II helixtrans-62.1165.2-167.4-55.10000115.8
189P37.8Very low39.8Very low113 Ų113135.2 Ų135.273%0.73480%0.797SS**PPolyproline II helixtrans-94.9149.2-15937-30.5000112.5
190N40.8Very low39.2Very low169 Ų169132.6 Ų132.690%0.90480%0.797SS**  trans-171.5111.1150.7-98.3-19.6000110.8
191S39.5Very low38.6Very low117 Ų117132.8 Ų132.882%0.81880%0.796SS**  148135.4124.6-155.30000111.3
192P38.8Very low38.9Very low92 Ų92136.5 Ų136.560%0.59780%0.801SS**  trans-97.6156.1-158.838-30.5000112.2
193Y45.5Very low39.2Very low224 Ų224134.8 Ų134.888%0.87880%0.798SS**  trans-178.4151.2140.5-82.4-53.9000109.4
194P52.4Low39.4Very low110 Ų110135.7 Ų135.771%0.71480%0.798SS**  trans-103.8172.3-14021.3-2.2000115
195P37.9Very low39.4Very low124 Ų124135.2 Ų135.281%0.80580%0.798SS**  trans-91.3150.1-168.836.2-31.9000113
196S45.3Very low39.7Very low123 Ų123131.4 Ų131.486%0.8679%0.793SS**  trans-112.7126.4167.6-69.20000110.3
197P38.1Very low39.5Very low125 Ų125130.6 Ų130.681%0.81280%0.796SS**  trans-98.7147.417936.7-29.7000111.7
198A40.6Very low39.5Very low90 Ų90127.8 Ų127.874%0.74479%0.791SS**  trans-159100.3157.200000107.7
199S38.5Very low39.6Very low112 Ų112128.3 Ų128.378%0.78380%0.795SS**  60.495.977.773.60000113.9
200S39.3Very low39.6Very low114 Ų114126.3 Ų126.380%0.79780%0.795SS**  trans-146.690.9147.754.30000108.9
201T35.9Very low39.6Very low123 Ų123124.8 Ų124.876%0.75579%0.794SS**  trans-70.3133.7167.1-300000109.4
202Y40.6Very low39.4Very low220 Ų220123 Ų12386%0.86379%0.794SS**  trans-137.9146.6150.2-79.5-76.9000109.8
203P39.8Very low39.5Very low117 Ų117123.6 Ų123.676%0.7680%0.801SS**  trans-107.7170.5-149.513.110.2000114.1
204N33.7Very low39Very low151 Ų151118.1 Ų118.181%0.80779%0.792SS**  trans-52.6164.1-179.2-67.1-37000118.4
205S36Very low38.4Very low109 Ų109122.5 Ų122.576%0.76280%0.8SS**  trans100.2157.9138.7-60.10000118
206P40.8Very low38.2Very low116 Ų116125.3 Ų125.375%0.75380%0.803SS**  cis-140.7171.3-37.536.4-18.4000114.3
207A31.3Very low38.3Very low103 Ų103127.4 Ų127.485%0.85180%0.803SS**  trans17.8129.8149.800000121.8
208S38.9Very low38.1Very low118 Ų118126.9 Ų126.983%0.82580%0.8SS**  trans-142.4111.7146.868.80000111.8
209S40Very low37.9Very low124 Ų124126.9 Ų126.987%0.86780%0.8SS**  trans-57.5131.5163.431.90000112.3
210G37.9Very low37.9Very low71 Ų71129.6 Ų129.673%0.73281%0.806SS**  111.6174.28700000109.8
211P40.5Very low38Very low138 Ų138130.4 Ų130.490%0.89681%0.806SS**  cis-133.8176.4-26.438.5-20.8000113.6
212G35.1Very low39Very low78 Ų78129.9 Ų129.980%0.80481%0.805SS**  trans119.7103.5146.100000118.7
213S40.8Very low39.5Very low106 Ų106125 Ų12574%0.74180%0.8SS**  trans-174.1122.6146.1171.40000109.8
214P35.9Very low40Very low108 Ų108125.6 Ų125.670%0.70180%0.804SS**  trans-104.1118.7-176.734.9-23.6000111.5
215F40.1Very low40.4Very low203 Ų203123.1 Ų123.189%0.8980%0.804SS**  trans-146.8102.5155.7-81.7-72.9000110
216Q33.4Very low40.7Very low183 Ų183128.2 Ų128.286%0.85581%0.808SS**  trans-86.2144.3160.1-76.6173.5-30.300108.7
217L46.7Very low40.6Very low166 Ų166130.5 Ų130.587%0.86981%0.811SS**  trans151.2148.3144.7-81.7174.6000110.5
218P35.3Very low41.8Very low115 Ų115130.1 Ų130.175%0.74780%0.8SS**  -115.1174.6-99.820.70.4000114
219A34.7Very low42.2Very low90 Ų90130.5 Ų130.574%0.74480%0.799SS**  trans-57.2134.1179.900000114.5
220D39.9Very low42.4Very low169 Ų169131.9 Ų131.990%0.90480%0.797SS**  trans-103.9102.9155.5-79.4-42.1000108.4
221T41Very low42.6Very low130 Ų130136.7 Ų136.780%0.79881%0.806SS**PPolyproline II helixtrans-72.7134.8169.817.30000111
222P57.1Low42.4Very low112 Ų112138.3 Ų138.373%0.72780%0.802SS**PPolyproline II helixtrans-76155.7165.531.9-30.1000110.6
223P50.6Low42.7Very low119 Ų119143 Ų14377%0.77381%0.805SS**PPolyproline II helixtrans-70.8150.3-175.328.7-33000112.2
224P51Low42.7Very low129 Ų129142 Ų14284%0.83881%0.811SS**PPolyproline II helixtrans-75.4143-177.625.9-23.9000112
225A41.8Very low42.8Very low98 Ų98145.2 Ų145.281%0.8182%0.817SS**PPolyproline II helixtrans-69.813517500000111.4
226Y41.1Very low42.7Very low216 Ų216143 Ų14385%0.84781%0.814SS**PPolyproline II helixtrans-74.8122.4174.8-170.9-96.3000110
227M38.9Very low42.9Very low165 Ų165141.3 Ų141.381%0.81381%0.811SS**  trans-107.8134.1165.1-66.9-145.679.300109.5
228P56.8Low42.6Very low94 Ų94138.1 Ų138.161%0.6180%0.803SS**PPolyproline II helixtrans-80.2153.816732.5-27.9000110.5
229P48.3Very low42.9Very low126 Ų126141.7 Ų141.782%0.81881%0.81SS**PPolyproline II helixtrans-83.3134.4-177.731.8-30.4000112
230D44.1Very low43.2Very low154 Ų154143.1 Ų143.182%0.82481%0.811SS**PPolyproline II helixtrans-91.6126166.4-86.6-37.8000110.3
231D41.4Very low43.4Very low171 Ų171144.1 Ų144.191%0.91481%0.813SS**PPolyproline II helixtrans-74.2122.7164.5-86-52.5000110
232Q37Very low43.1Very low173 Ų173145.5 Ų145.581%0.80882%0.815SS**  trans-126.4120.2164.7-76.518033.600109.5
233M40Very low42.3Very low176 Ų176147 Ų14787%0.86782%0.823SS**  173.8108.6120.6-107.8158.962.500110.6
234G41.2Very low41.7Very low85 Ų85146.2 Ų146.288%0.87682%0.82SS**  trans-125.4109.7156.700000107.4
235Q37.5Very low40.9Very low176 Ų176147 Ų14782%0.82282%0.817SS**  trans-97.4126.1-172.8-172178.760.600108.3
236D39.1Very low40.8Very low157 Ų157149.6 Ų149.684%0.8482%0.817SS**  trans-155.3158155.6-132.9-21.2000113.9
237N37.2Very low40.7Very low146 Ų146147.4 Ų147.478%0.78182%0.817SS**  trans-85.4165.7-144.4-104.8-38.4000118.4
238S41.2Very low40.9Very low100 Ų100147.4 Ų147.470%0.69982%0.818SS**  trans90.7104.9135.657.10000123.1
239Q41.7Very low39.8Very low190 Ų190148 Ų14889%0.88882%0.822SS**  75.6139.8125.6-68.6-172.3-25.500123.4
240P39.4Very low39.2Very low120 Ų120151.3 Ų151.378%0.77983%0.827SS**  trans-101159.9-175.440.3-32.5000113.9
241M44.5Very low38.9Very low190 Ų190151.3 Ų151.394%0.93683%0.825SS**  trans-143.2125.3164.5-85.5-73.6-120.300110.5
242D35.6Very low38.6Very low158 Ų158151.4 Ų151.485%0.84582%0.822SS**  trans-71.1137.9165.1-77.3-51000110.6
243T40.2Very low38.8Very low145 Ų145148.5 Ų148.589%0.8982%0.818SS**  trans-164.9141.7142.2-4.50000113.4
244S37.1Very low38.8Very low102 Ų102145.6 Ų145.671%0.71382%0.816SS**  trans-69162.4-175.6-48.80000116
245N34.6Very low39.1Very low144 Ų144147.8 Ų147.877%0.7781%0.806SS**  trans50.1110.3147.3-70.3-8.5000118.7
246N39.9Very low39.5Very low154 Ų154142.7 Ų142.782%0.82479%0.79SS**  -179.3155.9109-96.8-25.6000112.9
247M38.7Very low40.3Very low169 Ų169140.4 Ų140.483%0.83379%0.786SS**  trans-43.8165.9178.2-55.6179.6172.600116.4
248I43.2Very low41.4Very low165 Ų165143.4 Ų143.485%0.84679%0.786SS**  trans135.8140.1149.3-69.6158.7000111
249P34.2Very low43.2Very low107 Ų107141.4 Ų141.470%0.69577%0.767SS**  -125.8-178.9-87.9234.5000112.8I251P249-I251 PolarHBondContact O-N 2.75Å
250Q34.9Very low45.3Very low196 Ų196133.9 Ų133.992%0.91673%0.734SS**  trans-56.2119.8172.8-63.2175.4-50.800112.6
251I38.7Very low47.7Very low154 Ų154131 Ų13179%0.7971%0.711SS**  trans-123.5104.4159.3-63.1175.5000106.2P249P249-I251 PolarHBondContact O-N 2.75Å
252M33.7Very low50Low173 Ų173125.2 Ų125.285%0.85269%0.687SS**  trans-86.8134.4163.6-64.7-160.198.600108.2S254M252-S254 PolarHBondContact O-N 2.98Å
253P42.3Very low52.8Low111 Ų111118.3 Ų118.372%0.72165%0.651SS**  trans-70.7115.9161.7-1.217.6000107.3I255P253-I255 VanDerWaalsContact C-N 3.32Å; P253-I255 PolarHBondContact O-N 2.85Å
254S40.4Very low55.4Low116 Ų116114 Ų11481%0.81163%0.63SS**  trans-64.795.7165.556.70000108.1M252 S256M252-S254 PolarHBondContact O-N 2.98Å; S254-S256 PolarHBondContact O-N 3.34Å
255I47.9Very low58.1Low131 Ų131111 Ų11167%0.67260%0.603SS**  trans-61.1113.2171.4-64170.8000106.7P253 S257 V260P253-I255 VanDerWaalsContact C-N 3.32Å; P253-I255 PolarHBondContact O-N 2.85Å; I255-S257 PolarHBondContact O-N 2.86Å; I255-V260 HydrophobicContact CG2-CG1 4.36Å
256S45Very low60.9Low69 Ų69109.2 Ų109.248%0.48359%0.59SS.*  trans-53.3125.7170.423.10000109S254 R258 D259S254-S256 PolarHBondContact O-N 3.34Å; S256-R258 PolarHBondContact O-N 3.12Å; S256-D259 PolarHBondContact O-N 2.9Å; S256-D259 VanDerWaalsContact O-N 3.14Å; S256-D259 PolarHBondContact OG-OD2 2.56Å
257S55.3Low63.3Low108 Ų108106.5 Ų106.576%0.75557%0.572SS**THydrogen-bonded Turntrans-58.2-2.5-178.857.70000115.2I255I255-S257 PolarHBondContact O-N 2.86Å
258R61.1Low65.9Low209 Ų20999.8 Ų99.879%0.78954%0.541SS*.THydrogen-bonded Turntrans-86.4-13.2178.6-67-172.7175-173.9-1114S256S256-R258 PolarHBondContact O-N 3.12Å
259D79.7Confident68.1Low58 Ų58100.5 Ų100.531%0.3154%0.539SS..SBendtrans-101.27.2-172.3-60.3-51.8000114.2R143 S256R143-D259 PolarHBondContact N-O 3.23Å; S256-D259 PolarHBondContact O-N 2.9Å; S256-D259 VanDerWaalsContact O-N 3.14Å; S256-D259 PolarHBondContact OG-OD2 2.56Å
260V84.8Confident71Confident32 Ų3297.7 Ų97.719%0.19452%0.516CS..EExtended strand (participates in β ladder)trans-122.4140.1-179.8-66.30000111.7L140 V141 I255L140-V260 HydrophobicContact CB-CB 4.25Å; V141-V260 CarbonylContact O-C 3.5Å; V141-V260 WeakPolarHBondContact O-CA 3.31Å; I255-V260 HydrophobicContact CG2-CG1 4.36Å
261Q89.6Confident73.9Confident60 Ų6089.1 Ų89.128%0.2848%0.475SS..EExtended strand (participates in β ladder)trans-103.8116.4173.4-175.460.241.600109.5V141 Q453V141-Q261 PolarHBondContact N-O 3.31Å; V141-Q261 PolarHBondContact O-N 2.9Å; Q261-Q453 HydrophobicContact CG-CG 4.39Å
262P93.2Very high76.7Confident69 Ų6981.8 Ų81.845%0.44844%0.438SS..EExtended strand (participates in β ladder)trans-75.1133.3174.929.6-33.5000111P138 V139 L140P138-P262 HydrophobicContact CB-CB 4.12Å; P138-P262 HydrophobicContact CG-CB 4.41Å; V139-P262 CarbonylContact O-C 3.55Å; L140-P262 HydrophobicContact CD2-CB 3.86Å
263V94.1Very high79.7Confident13 Ų1374.1 Ų74.18%0.07940%0.401CS..EExtended strand (participates in β ladder)trans-120.9106.4176.2-176.90000109P138 V139 V141 W446 K449 V450 Q453P138-V263 WeakPolarHBondContact CA-O 3.43Å; V139-V263 PolarHBondContact N-O 2.89Å; V139-V263 PolarHBondContact O-N 3.35Å; V141-V263 HydrophobicContact CG2-CG2 3.98Å; V263-W446 PolarHBondContact O-NE1 3.4Å; V263-K449 HydrophobicContact CG1-CB 3.51Å; V263-K449 HydrophobicContact CG1-CD 4.35Å; V263-V450 HydrophobicContact CB-CG2 4.05Å; V263-V450 HydrophobicContact CG1-CG2 3.94Å; V263-V450 HydrophobicContact CG2-CG2 4.38Å; V263-Q453 HydrophobicContact CG2-CG 4.04Å
264A95Very high82.4Confident54 Ų5468.9 Ų68.945%0.44637%0.367SS..  trans-82.7150.4-179.400000112.4P138P138-A264 HydrophobicContact CB-CB 4.45Å
265Y94.6Very high85.2Confident38 Ų3863.8 Ų63.815%0.14933%0.331CS..  trans-72.4139.4169.4-178.1-95.4000110.5L136 E267 N385 G442 W446L136-Y265 HydrophobicContact CD1-CD1 4.07Å; L136-Y265 HydrophobicContact CD1-CD2 4.21Å; L136-Y265 HydrophobicContact CD1-CE1 4.48Å; L136-Y265 HydrophobicContact CD1-CG 3.91Å; Y265-E267 HydrophobicContact CE1-CB 4.45Å; Y265-E267 WeakPolarHBondContact CE1-OE2 3.37Å; Y265-E267 PolarHBondContact OH-OE1 3.25Å; Y265-N385 PolarHBondContact OH-ND2 3.22Å; Y265-G442 WeakPolarHBondContact OH-CA 3.5Å; Y265-W446 HydrophobicContact CD2-CB 3.96Å; Y265-W446 AromaticContact CD2-CD2 3.69Å; Y265-W446 HydrophobicContact CD2-CD2 3.69Å; Y265-W446 AromaticContact CD2-CE3 3.32Å; Y265-W446 HydrophobicContact CD2-CE3 3.32Å; Y265-W446 HydrophobicContact CD2-CG 4.02Å; Y265-W446 AromaticContact CD2-CZ3 3.91Å; Y265-W446 HydrophobicContact CD2-CZ3 3.91Å; Y265-W446 HydrophobicContact CE2-CE3 4.2Å; Y265-W446 HydrophobicContact CG-CD2 4.26Å; Y265-W446 HydrophobicContact CG-CE3 4.03Å; Y265-W446 HydrophobicContact CG-CZ3 4.28Å
266E92.6Very high87.6Confident107 Ų10757.6 Ų57.650%0.530%0.3SS..  trans-128.5133.9173.3-77.1169.1-142.800108.8Q445 K449E266-Q445 PolarHBondContact O-OE1 3.11Å; E266-K449 IonicContact OE1-NZ 3.32Å; E266-K449 PolarHBondContact OE1-NZ 3.29Å; E266-K449 IonicContact OE2-NZ 3.96Å; E266-K449 PolarHBondContact OE2-NZ 3.49Å
267E90.4Very high90.1Very high97 Ų9756.4 Ų56.445%0.45329%0.285SS..  trans-76124-179.8-162.772.1-130.800109.8Y265 Y338Y265-E267 HydrophobicContact CE1-CB 4.45Å; Y265-E267 WeakPolarHBondContact CE1-OE2 3.37Å; Y265-E267 PolarHBondContact OH-OE1 3.25Å; E267-Y338 WeakPolarHBondContact OE1-CE1 3.48Å; E267-Y338 PolarHBondContact OE1-OH 2.87Å; E267-Y338 PolarHBondContact OE2-OH 3.45Å
268P93.1Very high92.2Very high28 Ų2851.3 Ų51.318%0.18225%0.249CC..  trans-75.7161.6-179.234.2-40.5000111.9H270 H441P268-H270 VanDerWaalsContact C-N 3.3Å; P268-H270 WeakPolarHBondContact CB-O 3.13Å; P268-H270 WeakPolarHBondContact CG-O 3.31Å; P268-H270 PolarHBondContact O-N 3.32Å; P268-H441 HydrophobicContact CB-CB 4.06Å; P268-H441 HydrophobicContact CG-CB 3.86Å
269K90.5Very high94Very high181 Ų18143.6 Ų43.679%0.78722%0.223SC*.SBendtrans-60.4-38.2173.9178.9-179.1176.1-177.20113.1
270H93.9Very high94.8Very high48 Ų4846.2 Ų46.222%0.22224%0.237CC..SBendtrans-116126.6173.4-62.1-69.1000106.9P268 A289 H441P268-H270 VanDerWaalsContact C-N 3.3Å; P268-H270 WeakPolarHBondContact CB-O 3.13Å; P268-H270 WeakPolarHBondContact CG-O 3.31Å; P268-H270 PolarHBondContact O-N 3.32Å; H270-A289 VanDerWaalsContact CA-O 3.27Å; H270-A289 WeakPolarHBondContact CA-O 3.45Å; H270-H441 VanDerWaalsContact O-CB 3.23Å; H270-H441 WeakPolarHBondContact O-CB 3.39Å; H270-H441 PolarHBondContact O-ND1 3.34Å
271W95.5Very high95.5Very high15 Ų1547.5 Ų47.56%0.05724%0.243CC..SBendtrans-79.2-26.2-177.367.6-89.6000111.8A289 S291 V294 L336 Y338 V343 L440 H441W271-A289 HydrophobicContact CZ2-CB 4.18Å; W271-A289 PolarHBondContact N-O 2.9Å; W271-S291 PolarHBondContact NE1-O 3.25Å; W271-V294 HydrophobicContact CZ2-CG2 4.29Å; W271-L336 HydrophobicContact CH2-CB 4.16Å; W271-Y338 HydrophobicContact CB-CD1 4.16Å; W271-Y338 HydrophobicContact CD2-CG 4.35Å; W271-Y338 HydrophobicContact CE3-CG 4.37Å; W271-Y338 HydrophobicContact CG-CD1 4.31Å; W271-Y338 HydrophobicContact CG-CG 4.45Å; W271-V343 HydrophobicContact CE3-CG2 4.34Å; W271-V343 HydrophobicContact CH2-CG1 4.06Å; W271-V343 HydrophobicContact CZ3-CG1 3.76Å; W271-V343 HydrophobicContact CZ3-CG2 3.92Å; W271-L440 HydrophobicContact CE3-CD2 4.12Å; W271-L440 HydrophobicContact CZ3-CD2 3.88Å; W271-H441 PolarHBondContact O-N 2.77Å
272C97.7Very high95.9Very high0 Ų051.4 Ų51.40%026%0.255CS..EExtended strand (participates in β ladder)trans-149.8165.4170.673.50000114.2A289 I438 H439 L440C272-A289 PolarHBondContact O-N 3.16Å; C272-A289 VanDerWaalsContact SG-CB 3.5Å; C272-I438 HydrophobicContact CB-CG2 3.98Å; C272-H439 CarbonylContact C-O 3.57Å; C272-H439 WeakPolarHBondContact CA-O 3.35Å; C272-H439 WeakPolarHBondContact CB-O 3.28Å; C272-L440 HydrophobicContact CB-CD2 4.01Å
273S97.7Very high96.1Very high13 Ų1348.4 Ų48.49%0.09124%0.235CC..EExtended strand (participates in β ladder)trans-119147159.756.60000111.1F287 I438 H439 H441S273-F287 CarbonylContact C-O 3.47Å; S273-F287 WeakPolarHBondContact CA-O 3.24Å; S273-I438 WeakPolarHBondContact O-CA 3.34Å; S273-H439 PolarHBondContact N-O 3.39Å; S273-H439 PolarHBondContact O-N 3.17Å; S273-H441 WeakPolarHBondContact CB-NE2 3.18Å; S273-H441 PolarHBondContact N-NE2 2.76Å; S273-H441 PolarHBondContact OG-NE2 2.56Å
274I98.2Very high96.2Very high0 Ų049.7 Ų49.70%025%0.251CS..EExtended strand (participates in β ladder)trans-123.8126.1-177.5-49175000108.7F287 V294 V296 F309 L336 I436 E437 I438I274-F287 HydrophobicContact CB-CB 4.38Å; I274-F287 HydrophobicContact CD1-CD1 4.21Å; I274-F287 PolarHBondContact N-O 2.89Å; I274-F287 PolarHBondContact O-N 2.99Å; I274-V294 HydrophobicContact CD1-CG1 4.09Å; I274-V296 HydrophobicContact CD1-CG2 3.74Å; I274-F309 HydrophobicContact CB-CD1 4.17Å; I274-F309 HydrophobicContact CB-CE1 4.26Å; I274-F309 HydrophobicContact CG2-CD1 3.99Å; I274-F309 HydrophobicContact CG2-CE1 3.98Å; I274-L336 HydrophobicContact CD1-CD1 3.68Å; I274-I436 HydrophobicContact CG2-CB 3.82Å; I274-I436 HydrophobicContact CG2-CD1 3.92Å; I274-I436 HydrophobicContact CG2-CG1 4.41Å; I274-I436 HydrophobicContact CG2-CG2 3.96Å; I274-E437 WeakPolarHBondContact CA-O 3.48Å; I274-I438 HydrophobicContact CG1-CG1 4.41Å; I274-I438 HydrophobicContact CG2-CG1 4.38Å
275V98.5Very high96.2Very high10 Ų1055.1 Ų55.16%0.06127%0.267CS..EExtended strand (participates in β ladder)trans-115.8132.5177.4-174.80000109Y277 R282 A286 I436 E437V275-Y277 HydrophobicContact CB-CE2 3.86Å; V275-Y277 HydrophobicContact CG1-CD2 4.17Å; V275-Y277 HydrophobicContact CG1-CE2 3.49Å; V275-Y277 VanDerWaalsContact CG1-CE2 3.49Å; V275-R282 HydrophobicContact CG1-CG 3.72Å; V275-A286 HydrophobicContact CG2-CB 3.98Å; V275-I436 CarbonylContact O-C 3.55Å; V275-I436 WeakPolarHBondContact O-CA 3.34Å; V275-E437 PolarHBondContact N-O 3.18Å; V275-E437 PolarHBondContact O-N 2.75Å
276Y98.6Very high96.2Very high1 Ų154.5 Ų54.50%0.00427%0.27CS..EExtended strand (participates in β ladder)trans-99141.3179.1174.7-116.7000111.8E278 V283 L311 L314 R327 C434 W435 I436Y276-E278 HydrophobicContact CE1-CG 3.66Å; Y276-E278 VanDerWaalsContact CE1-OE1 3.27Å; Y276-E278 WeakPolarHBondContact CE1-OE1 3.28Å; Y276-E278 HydrophobicContact CE2-CG 4.47Å; Y276-E278 WeakPolarHBondContact OH-CG 3.4Å; Y276-E278 PolarHBondContact OH-OE1 2.84Å; Y276-V283 HydrophobicContact CD1-CB 3.7Å; Y276-V283 HydrophobicContact CD1-CG1 3.94Å; Y276-V283 HydrophobicContact CE1-CB 3.93Å; Y276-V283 HydrophobicContact CE1-CG1 3.95Å; Y276-V283 PolarHBondContact O-N 2.82Å; Y276-L311 HydrophobicContact CD1-CD2 4.19Å; Y276-L311 HydrophobicContact CD2-CD1 3.73Å; Y276-L311 HydrophobicContact CD2-CD2 3.89Å; Y276-L311 HydrophobicContact CD2-CG 4.34Å; Y276-L311 HydrophobicContact CE2-CD1 3.8Å; Y276-L311 HydrophobicContact CG-CD1 4.39Å; Y276-L311 HydrophobicContact CG-CD2 3.69Å; Y276-L314 HydrophobicContact CD1-CD1 3.58Å; Y276-L314 HydrophobicContact CE1-CD1 4.3Å; Y276-L314 HydrophobicContact CG-CD1 4.24Å; Y276-R327 PolarHBondContact OH-NH1 2.95Å; Y276-C434 HydrophobicContact CE2-CB 4.03Å; Y276-C434 PolarHBondContact OH-SG 2.91Å; Y276-C434 VanDerWaalsContact OH-SG 3.39Å; Y276-W435 VanDerWaalsContact CD2-O 3.26Å; Y276-W435 WeakPolarHBondContact CD2-O 3.26Å; Y276-I436 HydrophobicContact CD2-CG2 3.96Å
277Y98.8Very high96.3Very high44 Ų4450.5 Ų50.517%0.17325%0.251CS..EExtended strand (participates in β ladder)trans-132.9145.7-179.5-67.4-93.4000111.2V275 N281 R282 W435 E437V275-Y277 HydrophobicContact CB-CE2 3.86Å; V275-Y277 HydrophobicContact CG1-CD2 4.17Å; V275-Y277 HydrophobicContact CG1-CE2 3.49Å; V275-Y277 VanDerWaalsContact CG1-CE2 3.49Å; Y277-N281 CarbonylContact C-O 3.56Å; Y277-N281 VanDerWaalsContact CA-O 3.25Å; Y277-N281 WeakPolarHBondContact CA-O 3.26Å; Y277-R282 VanDerWaalsContact CD1-CA 3.49Å; Y277-R282 HydrophobicContact CD1-CB 3.95Å; Y277-R282 HydrophobicContact CE1-CB 3.64Å; Y277-R282 HydrophobicContact CE1-CG 4.23Å; Y277-W435 VanDerWaalsContact CB-NE1 3.32Å; Y277-W435 HydrophobicContact CD1-CH2 4.26Å; Y277-W435 AromaticContact CD1-CZ2 3.88Å; Y277-W435 HydrophobicContact CD1-CZ2 3.88Å; Y277-W435 HydrophobicContact CD2-CD2 4.25Å; Y277-W435 HydrophobicContact CD2-CE3 4.12Å; Y277-W435 AromaticContact CD2-CH2 3.61Å; Y277-W435 HydrophobicContact CD2-CH2 3.61Å; Y277-W435 AromaticContact CD2-CZ2 3.76Å; Y277-W435 HydrophobicContact CD2-CZ2 3.76Å; Y277-W435 AromaticContact CD2-CZ3 3.81Å; Y277-W435 HydrophobicContact CD2-CZ3 3.81Å; Y277-W435 AromaticContact CE2-CH2 3.89Å; Y277-W435 HydrophobicContact CE2-CH2 3.89Å; Y277-W435 HydrophobicContact CE2-CZ2 4.39Å; Y277-W435 HydrophobicContact CE2-CZ3 4.15Å; Y277-W435 HydrophobicContact CG-CD2 4.31Å; Y277-W435 AromaticContact CG-CE2 3.74Å; Y277-W435 AromaticContact CG-CH2 3.82Å; Y277-W435 HydrophobicContact CG-CH2 3.82Å; Y277-W435 AromaticContact CG-CZ2 3.47Å; Y277-W435 HydrophobicContact CG-CZ2 3.47Å; Y277-W435 VanDerWaalsContact CG-CZ2 3.47Å; Y277-W435 HydrophobicContact CG-CZ3 4.38Å; Y277-W435 PolarHBondContact N-O 2.95Å; Y277-W435 PolarHBondContact O-N 2.71Å; Y277-E437 HydrophobicContact CD2-CB 4.5Å; Y277-E437 HydrophobicContact CE2-CB 3.94Å
278E98.7Very high96.6Very high0 Ų050.4 Ų50.40%025%0.25CS..EExtended strand (participates in β ladder)trans-119.7110.2167.2-67.2179.8177.900107.7Y276 N280 N281 V283 N316 R319 I323 R327 P433Y276-E278 HydrophobicContact CE1-CG 3.66Å; Y276-E278 VanDerWaalsContact CE1-OE1 3.27Å; Y276-E278 WeakPolarHBondContact CE1-OE1 3.28Å; Y276-E278 HydrophobicContact CE2-CG 4.47Å; Y276-E278 WeakPolarHBondContact OH-CG 3.4Å; Y276-E278 PolarHBondContact OH-OE1 2.84Å; E278-N280 PolarHBondContact O-N 2.91Å; E278-N281 PolarHBondContact N-O 3.42Å; E278-N281 PolarHBondContact O-N 3.34Å; E278-V283 HydrophobicContact CB-CG2 3.95Å; E278-V283 HydrophobicContact CG-CG2 3.89Å; E278-N316 WeakPolarHBondContact OE2-CB 3.39Å; E278-N316 PolarHBondContact OE2-ND2 3.13Å; E278-R319 IonicContact OE1-CZ 3.36Å; E278-R319 IonicContact OE1-NE 3.18Å; E278-R319 PolarHBondContact OE1-NE 3.32Å; E278-R319 IonicContact OE1-NH2 2.75Å; E278-R319 PolarHBondContact OE1-NH2 2.87Å; E278-R319 IonicContact OE2-CZ 3.61Å; E278-R319 IonicContact OE2-NE 2.96Å; E278-R319 PolarHBondContact OE2-NE 3.43Å; E278-R319 IonicContact OE2-NH2 3.37Å; E278-R319 PolarHBondContact OE2-NH2 3.02Å; E278-I323 HydrophobicContact CB-CD1 4.16Å; E278-I323 HydrophobicContact CB-CG2 4.17Å; E278-I323 VanDerWaalsContact CD-CG2 3.45Å; E278-I323 HydrophobicContact CG-CG2 3.81Å; E278-I323 WeakPolarHBondContact OE2-CG2 3.45Å; E278-R327 WeakPolarHBondContact OE1-CD 3.27Å; E278-R327 IonicContact OE1-CZ 3.8Å; E278-R327 IonicContact OE1-NE 3.89Å; E278-R327 IonicContact OE1-NH1 3.17Å; E278-R327 PolarHBondContact OE1-NH1 3.48Å; E278-P433 VanDerWaalsContact CA-O 3.31Å; E278-P433 WeakPolarHBondContact CA-O 3.4Å
279L98.3Very high96.6Very high48 Ų4849 Ų4925%0.25124%0.242SC..THydrogen-bonded Turntrans56.9-124.4-166-55.2169.5000111.1I323 T430 T432 W435L279-I323 HydrophobicContact CD1-CD1 4Å; L279-I323 HydrophobicContact CG-CD1 4.12Å; L279-T430 CarbonylContact C-O 3.55Å; L279-T430 WeakPolarHBondContact CA-O 3.25Å; L279-T430 WeakPolarHBondContact CB-O 3.29Å; L279-T432 WeakPolarHBondContact CA-O 3.04Å; L279-T432 PolarHBondContact N-O 3.37Å; L279-W435 PolarHBondContact O-NE1 3.47Å
280N97.6Very high96.5Very high113 Ų11342.9 Ų42.960%0.60422%0.221SC*.THydrogen-bonded Turntrans-91.43.1175.163.8-21.6000113.7E278 T430E278-N280 PolarHBondContact O-N 2.91Å; N280-T430 HydrophobicContact CB-CG2 4.26Å
281N98Very high96.4Very high59 Ų5941.4 Ų41.432%0.31622%0.216SC..EExtended strand (participates in β ladder)trans-97.4126.8-177-64.2-71.4000110.9Y277 E278Y277-N281 CarbonylContact C-O 3.56Å; Y277-N281 VanDerWaalsContact CA-O 3.25Å; Y277-N281 WeakPolarHBondContact CA-O 3.26Å; E278-N281 PolarHBondContact N-O 3.42Å; E278-N281 PolarHBondContact O-N 3.34Å
282R98.2Very high96.3Very high142 Ų14242.4 Ų42.454%0.53622%0.224SC..EExtended strand (participates in β ladder)trans-69132.8168.9-177.8175.9172.3-177.53109.7V275 Y277V275-R282 HydrophobicContact CG1-CG 3.72Å; Y277-R282 VanDerWaalsContact CD1-CA 3.49Å; Y277-R282 HydrophobicContact CD1-CB 3.95Å; Y277-R282 HydrophobicContact CE1-CB 3.64Å; Y277-R282 HydrophobicContact CE1-CG 4.23Å
283V98.3Very high96.1Very high5 Ų543.4 Ų43.43%0.0323%0.231CC..  trans-126.8117-178178.30000109.9Y276 E278 L314 N316Y276-V283 HydrophobicContact CD1-CB 3.7Å; Y276-V283 HydrophobicContact CD1-CG1 3.94Å; Y276-V283 HydrophobicContact CE1-CB 3.93Å; Y276-V283 HydrophobicContact CE1-CG1 3.95Å; Y276-V283 PolarHBondContact O-N 2.82Å; E278-V283 HydrophobicContact CB-CG2 3.95Å; E278-V283 HydrophobicContact CG-CG2 3.89Å; V283-L314 HydrophobicContact CG1-CB 3.94Å; V283-N316 HydrophobicContact CG1-CB 4.08Å; V283-N316 HydrophobicContact CG2-CB 3.97Å
284G95.9Very high96Very high40 Ų4042.8 Ų42.841%0.41223%0.227SC..SBendtrans82.4-179.6-179.600000114.9
285E94.2Very high95.9Very high168 Ų16844.9 Ų44.979%0.78524%0.238SC*.PPolyproline II helixtrans-79.6162.1177.4-63.1-170.9155.100112F287E285-F287 PolarHBondContact O-N 3.22Å
286A95.9Very high95.9Very high25 Ų2544.4 Ų44.421%0.20724%0.235CC..PPolyproline II helixtrans-73.4127.2172.800000110.3V275 H288V275-A286 HydrophobicContact CG2-CB 3.98Å; A286-H288 PolarHBondContact O-CE1 2.86Å; A286-H288 PolarHBondContact O-ND1 3.48Å
287F95.4Very high95.8Very high23 Ų2344.3 Ų44.310%0.10124%0.235CC..EExtended strand (participates in β ladder)trans-80.3130.5172.4180-88.8000109.9S273 I274 E285 A289 V294 K306 F309S273-F287 CarbonylContact C-O 3.47Å; S273-F287 WeakPolarHBondContact CA-O 3.24Å; I274-F287 HydrophobicContact CB-CB 4.38Å; I274-F287 HydrophobicContact CD1-CD1 4.21Å; I274-F287 PolarHBondContact N-O 2.89Å; I274-F287 PolarHBondContact O-N 2.99Å; E285-F287 PolarHBondContact O-N 3.22Å; F287-A289 HydrophobicContact CE1-CB 4.16Å; F287-V294 HydrophobicContact CD1-CG1 4.21Å; F287-V294 HydrophobicContact CE1-CB 4.43Å; F287-V294 HydrophobicContact CE1-CG1 3.48Å; F287-V294 VanDerWaalsContact CE1-CG1 3.48Å; F287-V294 HydrophobicContact CE1-CG2 4Å; F287-V294 HydrophobicContact CZ-CG1 3.98Å; F287-K306 WeakPolarHBondContact CZ-O 2.98Å; F287-F309 HydrophobicContact CB-CB 4.2Å; F287-F309 HydrophobicContact CB-CD1 3.62Å; F287-F309 HydrophobicContact CB-CD2 4Å; F287-F309 HydrophobicContact CB-CE1 3.88Å; F287-F309 HydrophobicContact CB-CE2 4.25Å; F287-F309 HydrophobicContact CB-CG 3.69Å; F287-F309 HydrophobicContact CB-CZ 4.19Å; F287-F309 HydrophobicContact CD1-CB 4.27Å; F287-F309 HydrophobicContact CD2-CB 3.7Å; F287-F309 HydrophobicContact CD2-CD2 4.13Å; F287-F309 AromaticContact CD2-CG 3.95Å; F287-F309 HydrophobicContact CD2-CG 3.95Å; F287-F309 HydrophobicContact CE2-CB 4.07Å; F287-F309 HydrophobicContact CG-CB 3.79Å; F287-F309 HydrophobicContact CG-CD1 4.12Å; F287-F309 HydrophobicContact CG-CD2 4.33Å; F287-F309 AromaticContact CG-CG 3.85Å; F287-F309 HydrophobicContact CG-CG 3.85Å; F287-F309 HydrophobicContact CZ-CB 4.5Å
288H95.5Very high95.8Very high95 Ų9543.1 Ų43.144%0.4424%0.236SC..EExtended strand (participates in β ladder)trans-110.1113.6-179.2-66.379.8000110.5A286 S290A286-H288 PolarHBondContact O-CE1 2.86Å; A286-H288 PolarHBondContact O-ND1 3.48Å; H288-S290 PolarHBondContact O-N 2.81Å
289A93.9Very high95.7Very high0 Ų047.7 Ų47.70%026%0.256CS..EExtended strand (participates in β ladder)trans-82.2102.3-173.100000111.5H270 W271 C272 F287 V294H270-A289 VanDerWaalsContact CA-O 3.27Å; H270-A289 WeakPolarHBondContact CA-O 3.45Å; W271-A289 HydrophobicContact CZ2-CB 4.18Å; W271-A289 PolarHBondContact N-O 2.9Å; C272-A289 PolarHBondContact O-N 3.16Å; C272-A289 VanDerWaalsContact SG-CB 3.5Å; F287-A289 HydrophobicContact CE1-CB 4.16Å; A289-V294 HydrophobicContact CB-CG2 3.61Å
290S88.3Confident95.5Very high51 Ų5149.9 Ų49.936%0.35727%0.271SS..  trans-87.8-26.3166.660.30000112.8H288H288-S290 PolarHBondContact O-N 2.81Å
291S91.6Very high95.1Very high17 Ų1746.9 Ų46.912%0.11926%0.255CS..SBendtrans-79.6133.1175.1178.80000108.8Q99 W271 S293Q99-S291 VanDerWaalsContact OE1-CA 3.23Å; Q99-S291 PolarHBondContact OE1-OG 3.07Å; W271-S291 PolarHBondContact NE1-O 3.25Å; S291-S293 WeakPolarHBondContact CB-O 3.38Å; S291-S293 PolarHBondContact O-N 3.33Å; S291-S293 VanDerWaalsContact O-N 3.14Å; S291-S293 PolarHBondContact OG-N 3.14Å; S291-S293 PolarHBondContact OG-O 3.26Å
292T92.8Very high94.2Very high36 Ų3649.6 Ų49.622%0.22128%0.276CS..SBendtrans-65.5-11.1172.955.80000112Q99 Y337 Y338Q99-T292 PolarHBondContact OE1-OG1 3.37Å; Q99-T292 VanDerWaalsContact OE1-OG1 3.09Å; T292-Y337 CarbonylContact O-C 3.46Å; T292-Y337 WeakPolarHBondContact O-CA 3.27Å; T292-Y338 WeakPolarHBondContact CB-O 3.35Å; T292-Y338 HydrophobicContact CG2-CD1 4.43Å; T292-Y338 PolarHBondContact O-N 2.78Å
293S93.9Very high93.2Very high21 Ų2145.9 Ų45.915%0.14727%0.272CS..EExtended strand (participates in β ladder)trans-124.1117.7176.3171.50000110.2S291 S307 H335S291-S293 WeakPolarHBondContact CB-O 3.38Å; S291-S293 PolarHBondContact O-N 3.33Å; S291-S293 VanDerWaalsContact O-N 3.14Å; S291-S293 PolarHBondContact OG-N 3.14Å; S291-S293 PolarHBondContact OG-O 3.26Å; S293-S307 WeakPolarHBondContact O-CB 3.39Å; S293-H335 PolarHBondContact OG-NE2 3.43Å
294V95.5Very high91.9Very high0 Ų053 Ų530%031%0.309CS..EExtended strand (participates in β ladder)trans-128.2128.2-177.9178.30000111W271 I274 F287 A289 V296 S307 H335 L336W271-V294 HydrophobicContact CZ2-CG2 4.29Å; I274-V294 HydrophobicContact CD1-CG1 4.09Å; F287-V294 HydrophobicContact CD1-CG1 4.21Å; F287-V294 HydrophobicContact CE1-CB 4.43Å; F287-V294 HydrophobicContact CE1-CG1 3.48Å; F287-V294 VanDerWaalsContact CE1-CG1 3.48Å; F287-V294 HydrophobicContact CE1-CG2 4Å; F287-V294 HydrophobicContact CZ-CG1 3.98Å; A289-V294 HydrophobicContact CB-CG2 3.61Å; V294-V296 HydrophobicContact CG1-CG2 4.32Å; V294-S307 CarbonylContact C-O 3.49Å; V294-S307 WeakPolarHBondContact CA-O 3.47Å; V294-H335 PolarHBondContact O-CD2 3.31Å; V294-L336 PolarHBondContact N-O 2.8Å; V294-L336 PolarHBondContact O-N 3.14Å
295L96.4Very high91Very high44 Ų4453.8 Ų53.823%0.2330%0.304CS..EExtended strand (participates in β ladder)trans-97.3123.4171.8-175.567.5000109.8D297 S307 R308 F309 K332 H335 L348L295-D297 HydrophobicContact CD2-CB 4.44Å; L295-D297 WeakPolarHBondContact CD2-OD2 3.34Å; L295-D297 HydrophobicContact CG-CB 4.23Å; L295-S307 PolarHBondContact N-O 3.45Å; L295-R308 HydrophobicContact CB-CG 4.34Å; L295-R308 HydrophobicContact CD2-CG 4.36Å; L295-R308 CarbonylContact O-C 3.54Å; L295-R308 VanDerWaalsContact O-CA 3.3Å; L295-R308 WeakPolarHBondContact O-CA 3.49Å; L295-F309 PolarHBondContact O-N 2.85Å; L295-K332 WeakPolarHBondContact CD1-O 3.45Å; L295-H335 HydrophobicContact CD1-CB 4.34Å; L295-L348 HydrophobicContact CD1-CD1 3.63Å
296V97.9Very high90.3Very high0 Ų052.4 Ų52.40%030%0.296CS..EExtended strand (participates in β ladder)trans-108113.3170.1-173.40000107.9I274 V294 F309 L311 G333 V334 L336 F416 I436I274-V296 HydrophobicContact CD1-CG2 3.74Å; V294-V296 HydrophobicContact CG1-CG2 4.32Å; V296-F309 WeakPolarHBondContact CA-O 3.48Å; V296-F309 HydrophobicContact CG1-CB 4.34Å; V296-F309 HydrophobicContact CG1-CD1 4.02Å; V296-F309 HydrophobicContact CG1-CG 4.42Å; V296-F309 HydrophobicContact CG2-CB 4.19Å; V296-F309 HydrophobicContact CG2-CD1 4.37Å; V296-L311 HydrophobicContact CG1-CD1 3.8Å; V296-L311 HydrophobicContact CG1-CD2 4.06Å; V296-L311 HydrophobicContact CG1-CG 3.89Å; V296-G333 CarbonylContact O-C 3.12Å; V296-G333 VanDerWaalsContact O-CA 3.28Å; V296-G333 WeakPolarHBondContact O-CA 3.19Å; V296-V334 HydrophobicContact CB-CG1 3.84Å; V296-V334 HydrophobicContact CG2-CG1 4.31Å; V296-V334 PolarHBondContact N-O 2.94Å; V296-V334 PolarHBondContact O-N 3.09Å; V296-L336 HydrophobicContact CG2-CD1 4.27Å; V296-F416 HydrophobicContact CG1-CZ 3.99Å; V296-I436 HydrophobicContact CG1-CD1 4.45Å; V296-I436 HydrophobicContact CG1-CG2 4.49Å; V296-I436 HydrophobicContact CG2-CD1 4.43Å
297D97.9Very high89.9Confident0 Ų053.3 Ų53.30%030%0.301CS..EExtended strand (participates in β ladder)trans-135.9170.5-169.974.336.2000114.1L295 F299 R308 F309 C310 L311 G331 K332L295-D297 HydrophobicContact CD2-CB 4.44Å; L295-D297 WeakPolarHBondContact CD2-OD2 3.34Å; L295-D297 HydrophobicContact CG-CB 4.23Å; D297-F299 HydrophobicContact CB-CD2 4.06Å; D297-F299 WeakPolarHBondContact OD1-CB 3.19Å; D297-F299 PolarHBondContact OD1-N 3.21Å; D297-R308 IonicContact OD1-NE 3.93Å; D297-R308 IonicContact OD1-NH2 3.68Å; D297-R308 IonicContact OD2-CZ 3.16Å; D297-R308 IonicContact OD2-NE 2.68Å; D297-R308 PolarHBondContact OD2-NE 3.34Å; D297-R308 IonicContact OD2-NH2 2.75Å; D297-R308 PolarHBondContact OD2-NH2 3.09Å; D297-F309 PolarHBondContact N-O 2.89Å; D297-C310 PolarHBondContact OD1-SG 3.02Å; D297-L311 WeakPolarHBondContact O-CB 3.4Å; D297-L311 WeakPolarHBondContact O-CG 3.3Å; D297-L311 PolarHBondContact O-N 2.95Å; D297-G331 WeakPolarHBondContact CB-O 3.5Å; D297-K332 WeakPolarHBondContact CB-O 3.48Å
298G97.7Very high89.9Confident19 Ų1955.2 Ų55.220%0.19631%0.307CS..SBendtrans-9110.2-17900000114.4G312 G331G298-G312 WeakPolarHBondContact O-CA 3.33Å; G298-G331 PolarHBondContact N-O 2.96Å
299F96.4Very high89.9Confident96 Ų9651.5 Ų51.542%0.42129%0.29SS..SBendtrans-90.3-173.4-178-58.4-60.6000111.3D297 R308 C310 G312 G331 K332D297-F299 HydrophobicContact CB-CD2 4.06Å; D297-F299 WeakPolarHBondContact OD1-CB 3.19Å; D297-F299 PolarHBondContact OD1-N 3.21Å; F299-R308 VanDerWaalsContact CD2-NH2 3.27Å; F299-C310 VanDerWaalsContact O-CB 3.28Å; F299-C310 WeakPolarHBondContact O-CB 3.39Å; F299-G312 WeakPolarHBondContact O-CA 3.41Å; F299-G312 PolarHBondContact O-N 2.98Å; F299-G331 WeakPolarHBondContact CE2-O 3.35Å; F299-K332 HydrophobicContact CE2-CG 4.17Å; F299-K332 HydrophobicContact CZ-CG 4.49Å
300T94.8Very high90Very high93 Ų9351.8 Ų51.857%0.57129%0.292SS*.  trans-129.631.5-165.4640000113.3P302T300-P302 WeakPolarHBondContact O-CD 3.42Å; T300-P302 VanDerWaalsContact O-N 3.14Å
301D89.2Confident90.4Very high50 Ų5049.4 Ų49.427%0.26728%0.275SS..  trans-66112.6178-176.6-3.1000109.4S303 R308 L313D301-S303 VanDerWaalsContact C-N 3.28Å; D301-S303 VanDerWaalsContact CG-OG 3.23Å; D301-S303 VanDerWaalsContact OD1-CB 3.29Å; D301-S303 WeakPolarHBondContact OD1-CB 3.39Å; D301-S303 PolarHBondContact OD1-N 3.35Å; D301-S303 PolarHBondContact OD1-OG 3.48Å; D301-S303 PolarHBondContact OD2-OG 3.07Å; D301-R308 VanDerWaalsContact CB-NH1 3.29Å; D301-R308 IonicContact OD2-NH1 3.19Å; D301-R308 PolarHBondContact OD2-NH1 3.13Å; D301-L313 WeakPolarHBondContact O-CD2 3.35Å
302P78.6Confident90.7Very high116 Ų11649.6 Ų49.675%0.75328%0.28SS*.  trans-85.5-6.8-17636.9-34.6000111.7T300 N304T300-P302 WeakPolarHBondContact O-CD 3.42Å; T300-P302 VanDerWaalsContact O-N 3.14Å; P302-N304 PolarHBondContact O-N 3.42Å
303S76.6Confident90.8Very high64 Ų6451.8 Ų51.845%0.44829%0.29SS..SBendtrans-61.3130.1174.268.50000107.3D301 N305D301-S303 VanDerWaalsContact C-N 3.28Å; D301-S303 VanDerWaalsContact CG-OG 3.23Å; D301-S303 VanDerWaalsContact OD1-CB 3.29Å; D301-S303 WeakPolarHBondContact OD1-CB 3.39Å; D301-S303 PolarHBondContact OD1-N 3.35Å; D301-S303 PolarHBondContact OD1-OG 3.48Å; D301-S303 PolarHBondContact OD2-OG 3.07Å; S303-N305 PolarHBondContact O-N 3.08Å
304N71.3Confident90.9Very high154 Ų15451.9 Ų51.982%0.82429%0.289SS*.  trans-68.861.9178.4-170.48.4000110P302 K306P302-N304 PolarHBondContact O-N 3.42Å; N304-K306 PolarHBondContact O-N 2.88Å
305N76.4Confident90.9Very high57 Ų5757 Ų5731%0.30533%0.325SS..  trans-79.4108.8-172.2-178.3-6.9000107.6S303 S307 R308S303-N305 PolarHBondContact O-N 3.08Å; N305-S307 PolarHBondContact O-N 2.89Å; N305-S307 PolarHBondContact OD1-N 3.4Å; N305-S307 VanDerWaalsContact OD1-N 3.12Å; N305-S307 PolarHBondContact OD1-OG 3.33Å; N305-R308 HydrophobicContact CB-CB 4.13Å; N305-R308 PolarHBondContact O-N 3.35Å
306K80.6Confident90.9Very high140 Ų14056.4 Ų56.461%0.60932%0.321SS*.THydrogen-bonded Turntrans-63.6-5-177.1-60-176.7-179.6178.70114.5F287 N304F287-K306 WeakPolarHBondContact CZ-O 2.98Å; N304-K306 PolarHBondContact O-N 2.88Å
307S88.2Confident90.9Very high44 Ų4463.1 Ų63.131%0.30836%0.362SS..THydrogen-bonded Turntrans-1135174.3650000113.9S293 V294 L295 N305S293-S307 WeakPolarHBondContact O-CB 3.39Å; V294-S307 CarbonylContact C-O 3.49Å; V294-S307 WeakPolarHBondContact CA-O 3.47Å; L295-S307 PolarHBondContact N-O 3.45Å; N305-S307 PolarHBondContact O-N 2.89Å; N305-S307 PolarHBondContact OD1-N 3.4Å; N305-S307 VanDerWaalsContact OD1-N 3.12Å; N305-S307 PolarHBondContact OD1-OG 3.33Å
308R94.1Very high90.9Very high63 Ų6368.3 Ų68.324%0.23839%0.39CS..EExtended strand (participates in β ladder)trans-141.1116.5-175.8-166.5-178.4-174.9-162.9-3.5112.5L295 D297 F299 D301 N305 C310L295-R308 HydrophobicContact CB-CG 4.34Å; L295-R308 HydrophobicContact CD2-CG 4.36Å; L295-R308 CarbonylContact O-C 3.54Å; L295-R308 VanDerWaalsContact O-CA 3.3Å; L295-R308 WeakPolarHBondContact O-CA 3.49Å; D297-R308 IonicContact OD1-NE 3.93Å; D297-R308 IonicContact OD1-NH2 3.68Å; D297-R308 IonicContact OD2-CZ 3.16Å; D297-R308 IonicContact OD2-NE 2.68Å; D297-R308 PolarHBondContact OD2-NE 3.34Å; D297-R308 IonicContact OD2-NH2 2.75Å; D297-R308 PolarHBondContact OD2-NH2 3.09Å; F299-R308 VanDerWaalsContact CD2-NH2 3.27Å; D301-R308 VanDerWaalsContact CB-NH1 3.29Å; D301-R308 IonicContact OD2-NH1 3.19Å; D301-R308 PolarHBondContact OD2-NH1 3.13Å; N305-R308 HydrophobicContact CB-CB 4.13Å; N305-R308 PolarHBondContact O-N 3.35Å; R308-C310 PolarHBondContact NE-SG 3.43Å; R308-C310 VanDerWaalsContact NE-SG 3.43Å
309F95.7Very high90.9Very high16 Ų1669.9 Ų69.97%0.0739%0.39CS..EExtended strand (participates in β ladder)trans-101.698.5174.2-173.1-162.7000110.3I274 F287 L295 V296 D297 L311 L314I274-F309 HydrophobicContact CB-CD1 4.17Å; I274-F309 HydrophobicContact CB-CE1 4.26Å; I274-F309 HydrophobicContact CG2-CD1 3.99Å; I274-F309 HydrophobicContact CG2-CE1 3.98Å; F287-F309 HydrophobicContact CB-CB 4.2Å; F287-F309 HydrophobicContact CB-CD1 3.62Å; F287-F309 HydrophobicContact CB-CD2 4Å; F287-F309 HydrophobicContact CB-CE1 3.88Å; F287-F309 HydrophobicContact CB-CE2 4.25Å; F287-F309 HydrophobicContact CB-CG 3.69Å; F287-F309 HydrophobicContact CB-CZ 4.19Å; F287-F309 HydrophobicContact CD1-CB 4.27Å; F287-F309 HydrophobicContact CD2-CB 3.7Å; F287-F309 HydrophobicContact CD2-CD2 4.13Å; F287-F309 AromaticContact CD2-CG 3.95Å; F287-F309 HydrophobicContact CD2-CG 3.95Å; F287-F309 HydrophobicContact CE2-CB 4.07Å; F287-F309 HydrophobicContact CG-CB 3.79Å; F287-F309 HydrophobicContact CG-CD1 4.12Å; F287-F309 HydrophobicContact CG-CD2 4.33Å; F287-F309 AromaticContact CG-CG 3.85Å; F287-F309 HydrophobicContact CG-CG 3.85Å; F287-F309 HydrophobicContact CZ-CB 4.5Å; L295-F309 PolarHBondContact O-N 2.85Å; V296-F309 WeakPolarHBondContact CA-O 3.48Å; V296-F309 HydrophobicContact CG1-CB 4.34Å; V296-F309 HydrophobicContact CG1-CD1 4.02Å; V296-F309 HydrophobicContact CG1-CG 4.42Å; V296-F309 HydrophobicContact CG2-CB 4.19Å; V296-F309 HydrophobicContact CG2-CD1 4.37Å; D297-F309 PolarHBondContact N-O 2.89Å; F309-L311 HydrophobicContact CD1-CD2 4Å; F309-L311 HydrophobicContact CD2-CD2 4.19Å; F309-L311 HydrophobicContact CE1-CD2 3.74Å; F309-L311 HydrophobicContact CE2-CD2 3.94Å; F309-L311 HydrophobicContact CG-CD2 4.22Å; F309-L311 HydrophobicContact CZ-CD2 3.71Å; F309-L311 PolarHBondContact O-N 3.25Å; F309-L314 HydrophobicContact CE2-CD1 4Å; F309-L314 HydrophobicContact CZ-CD1 4.17Å
310C96.1Very high91Very high7 Ų768.6 Ų68.65%0.04739%0.387CS..EExtended strand (participates in β ladder)trans-87.3103.6-177.8-78.30000111.5D297 F299 R308 G312 L313D297-C310 PolarHBondContact OD1-SG 3.02Å; F299-C310 VanDerWaalsContact O-CB 3.28Å; F299-C310 WeakPolarHBondContact O-CB 3.39Å; R308-C310 PolarHBondContact NE-SG 3.43Å; R308-C310 VanDerWaalsContact NE-SG 3.43Å; C310-G312 VanDerWaalsContact C-N 3.28Å; C310-G312 PolarHBondContact O-N 3.23Å; C310-L313 HydrophobicContact CB-CD2 3.66Å; C310-L313 HydrophobicContact CB-CG 4.49Å; C310-L313 WeakPolarHBondContact O-CG 3.27Å
311L97.3Very high91.1Very high0 Ų067.9 Ų67.90%039%0.386CS..G310 helixtrans-72.8-23.2179.7-54.2-178.5000112.4Y276 V296 D297 F309 L313 L314 R327 I330 F416Y276-L311 HydrophobicContact CD1-CD2 4.19Å; Y276-L311 HydrophobicContact CD2-CD1 3.73Å; Y276-L311 HydrophobicContact CD2-CD2 3.89Å; Y276-L311 HydrophobicContact CD2-CG 4.34Å; Y276-L311 HydrophobicContact CE2-CD1 3.8Å; Y276-L311 HydrophobicContact CG-CD1 4.39Å; Y276-L311 HydrophobicContact CG-CD2 3.69Å; V296-L311 HydrophobicContact CG1-CD1 3.8Å; V296-L311 HydrophobicContact CG1-CD2 4.06Å; V296-L311 HydrophobicContact CG1-CG 3.89Å; D297-L311 WeakPolarHBondContact O-CB 3.4Å; D297-L311 WeakPolarHBondContact O-CG 3.3Å; D297-L311 PolarHBondContact O-N 2.95Å; F309-L311 HydrophobicContact CD1-CD2 4Å; F309-L311 HydrophobicContact CD2-CD2 4.19Å; F309-L311 HydrophobicContact CE1-CD2 3.74Å; F309-L311 HydrophobicContact CE2-CD2 3.94Å; F309-L311 HydrophobicContact CG-CD2 4.22Å; F309-L311 HydrophobicContact CZ-CD2 3.71Å; F309-L311 PolarHBondContact O-N 3.25Å; L311-L313 VanDerWaalsContact C-N 3.28Å; L311-L313 PolarHBondContact O-N 3.47Å; L311-L314 HydrophobicContact CD2-CD1 3.95Å; L311-L314 WeakPolarHBondContact O-CB 3.44Å; L311-L314 PolarHBondContact O-N 3.04Å; L311-L314 VanDerWaalsContact O-N 3.16Å; L311-R327 VanDerWaalsContact O-CZ 3.29Å; L311-R327 PolarHBondContact O-NH1 3.16Å; L311-R327 PolarHBondContact O-NH2 2.83Å; L311-I330 HydrophobicContact CD1-CD1 4.08Å; L311-F416 HydrophobicContact CD1-CD2 4.43Å; L311-F416 HydrophobicContact CD1-CE2 3.77Å; L311-F416 HydrophobicContact CD1-CZ 4.09Å
312G96.8Very high91.5Very high22 Ų2268.6 Ų68.623%0.22739%0.393CS..G310 helixtrans-62.5-30.6-175.500000113.9G298 F299 C310 R327G298-G312 WeakPolarHBondContact O-CA 3.33Å; F299-G312 WeakPolarHBondContact O-CA 3.41Å; F299-G312 PolarHBondContact O-N 2.98Å; C310-G312 VanDerWaalsContact C-N 3.28Å; C310-G312 PolarHBondContact O-N 3.23Å; G312-R327 VanDerWaalsContact C-NH2 3.28Å; G312-R327 VanDerWaalsContact CA-NH2 3.31Å; G312-R327 PolarHBondContact O-NH2 3.22Å
313L94.5Very high92.5Very high82 Ų8263.2 Ų63.243%0.42936%0.357SS..G310 helixtrans-82.4-13.5178.468.494.5000113.9D301 C310 L311 S315D301-L313 WeakPolarHBondContact O-CD2 3.35Å; C310-L313 HydrophobicContact CB-CD2 3.66Å; C310-L313 HydrophobicContact CB-CG 4.49Å; C310-L313 WeakPolarHBondContact O-CG 3.27Å; L311-L313 VanDerWaalsContact C-N 3.28Å; L311-L313 PolarHBondContact O-N 3.47Å; L313-S315 PolarHBondContact O-N 3.41Å
314L96.1Very high93.5Very high23 Ų2364.2 Ų64.212%0.1236%0.355CS..  trans-74.1124.8-176.9-56.1177.9000110.7Y276 V283 F309 L311 R319 R327Y276-L314 HydrophobicContact CD1-CD1 3.58Å; Y276-L314 HydrophobicContact CE1-CD1 4.3Å; Y276-L314 HydrophobicContact CG-CD1 4.24Å; V283-L314 HydrophobicContact CG1-CB 3.94Å; F309-L314 HydrophobicContact CE2-CD1 4Å; F309-L314 HydrophobicContact CZ-CD1 4.17Å; L311-L314 HydrophobicContact CD2-CD1 3.95Å; L311-L314 WeakPolarHBondContact O-CB 3.44Å; L311-L314 PolarHBondContact O-N 3.04Å; L311-L314 VanDerWaalsContact O-N 3.16Å; L314-R319 PolarHBondContact O-NH1 2.67Å; L314-R319 PolarHBondContact O-NH2 2.9Å; L314-R327 PolarHBondContact O-NH2 2.95Å
315S96.5Very high94.7Very high108 Ų10860.7 Ų60.776%0.75534%0.336SS*.  trans-88.3146177.2-64.90000111.6L313L313-S315 PolarHBondContact O-N 3.41Å
316N97.3Very high95.8Very high30 Ų3058.1 Ų58.116%0.1632%0.322CS..  trans-148.6121.2171.117713000108.5E278 V283 N318 R319E278-N316 WeakPolarHBondContact OE2-CB 3.39Å; E278-N316 PolarHBondContact OE2-ND2 3.13Å; V283-N316 HydrophobicContact CG1-CB 4.08Å; V283-N316 HydrophobicContact CG2-CB 3.97Å; N316-N318 VanDerWaalsContact C-N 3.29Å; N316-N318 PolarHBondContact O-N 3Å; N316-N318 PolarHBondContact OD1-N 3.31Å; N316-R319 HydrophobicContact CB-CB 4.24Å; N316-R319 VanDerWaalsContact O-CB 3.26Å; N316-R319 WeakPolarHBondContact O-CB 3.4Å; N316-R319 PolarHBondContact O-N 2.94Å
317V97.4Very high96.6Very high142 Ų14252.6 Ų52.686%0.86130%0.298SS*.THydrogen-bonded Turntrans-72.9-22.8-179.1-63.30000112.9R319V317-R319 VanDerWaalsContact C-N 3.27Å; V317-R319 PolarHBondContact O-N 3.41Å
318N96.7Very high97.1Very high108 Ų10858 Ų5858%0.57831%0.311SS*.THydrogen-bonded Turntrans-9010.5179.2-63.3-29.3000112.6N316 N320N316-N318 VanDerWaalsContact C-N 3.29Å; N316-N318 PolarHBondContact O-N 3Å; N316-N318 PolarHBondContact OD1-N 3.31Å; N318-N320 PolarHBondContact O-N 3.29Å
319R97.9Very high97.3Very high53 Ų5360 Ų6020%0.232%0.323CS..  trans-71.8123.1-176.2-172.4176.3-68.3147.4-1.8110.7E278 L314 N316 V317 I323 E324 R327E278-R319 IonicContact OE1-CZ 3.36Å; E278-R319 IonicContact OE1-NE 3.18Å; E278-R319 PolarHBondContact OE1-NE 3.32Å; E278-R319 IonicContact OE1-NH2 2.75Å; E278-R319 PolarHBondContact OE1-NH2 2.87Å; E278-R319 IonicContact OE2-CZ 3.61Å; E278-R319 IonicContact OE2-NE 2.96Å; E278-R319 PolarHBondContact OE2-NE 3.43Å; E278-R319 IonicContact OE2-NH2 3.37Å; E278-R319 PolarHBondContact OE2-NH2 3.02Å; L314-R319 PolarHBondContact O-NH1 2.67Å; L314-R319 PolarHBondContact O-NH2 2.9Å; N316-R319 HydrophobicContact CB-CB 4.24Å; N316-R319 VanDerWaalsContact O-CB 3.26Å; N316-R319 WeakPolarHBondContact O-CB 3.4Å; N316-R319 PolarHBondContact O-N 2.94Å; V317-R319 VanDerWaalsContact C-N 3.27Å; V317-R319 PolarHBondContact O-N 3.41Å; R319-I323 HydrophobicContact CG-CB 3.78Å; R319-I323 HydrophobicContact CG-CG2 3.63Å; R319-E324 HydrophobicContact CG-CG 3.82Å; R319-R327 VanDerWaalsContact CZ-NE 3.29Å; R319-R327 VanDerWaalsContact NH2-CZ 3.3Å
320N98Very high97.4Very high68 Ų6859.3 Ų59.336%0.36432%0.32SS..  trans-96.1170.8174.268.143.4000112.2N318 T322 I323 E324N318-N320 PolarHBondContact O-N 3.29Å; N320-T322 VanDerWaalsContact C-N 3.26Å; N320-T322 PolarHBondContact O-N 2.68Å; N320-T322 WeakPolarHBondContact OD1-CB 3.39Å; N320-T322 PolarHBondContact OD1-N 2.76Å; N320-I323 PolarHBondContact O-N 2.94Å; N320-I323 VanDerWaalsContact O-N 3.08Å; N320-I323 PolarHBondContact OD1-N 3.13Å; N320-E324 PolarHBondContact O-N 2.85Å
321S98.1Very high97.5Very high79 Ų7960 Ų6055%0.55233%0.329SS*.Hα-helixtrans-58-32.6-178.259.60000114E324 N325S321-E324 PolarHBondContact O-N 3.03Å; S321-N325 VanDerWaalsContact O-CB 3.3Å; S321-N325 WeakPolarHBondContact O-CB 3.47Å; S321-N325 PolarHBondContact O-N 3.48Å; S321-N325 PolarHBondContact O-ND2 3.4Å; S321-N325 PolarHBondContact O-OD1 3.22Å
322T97.9Very high97.5Very high65 Ų6565.8 Ų65.840%0.39935%0.354SS..Hα-helixtrans-68.2-40177.4-630000111.3N320 T326 P433N320-T322 VanDerWaalsContact C-N 3.26Å; N320-T322 PolarHBondContact O-N 2.68Å; N320-T322 WeakPolarHBondContact OD1-CB 3.39Å; N320-T322 PolarHBondContact OD1-N 2.76Å; T322-T326 WeakPolarHBondContact O-CB 3.42Å; T322-T326 PolarHBondContact O-N 3.31Å; T322-T326 PolarHBondContact O-OG1 2.78Å; T322-P433 HydrophobicContact CG2-CB 4.43Å; T322-P433 HydrophobicContact CG2-CG 3.84Å
323I98.4Very high97.6Very high2 Ų264.8 Ų64.81%0.0134%0.343CS..Hα-helixtrans-66.9-47.1175-61.9161.2000109.9E278 L279 R319 N320 N325 T326 R327 P433E278-I323 HydrophobicContact CB-CD1 4.16Å; E278-I323 HydrophobicContact CB-CG2 4.17Å; E278-I323 VanDerWaalsContact CD-CG2 3.45Å; E278-I323 HydrophobicContact CG-CG2 3.81Å; E278-I323 WeakPolarHBondContact OE2-CG2 3.45Å; L279-I323 HydrophobicContact CD1-CD1 4Å; L279-I323 HydrophobicContact CG-CD1 4.12Å; R319-I323 HydrophobicContact CG-CB 3.78Å; R319-I323 HydrophobicContact CG-CG2 3.63Å; N320-I323 PolarHBondContact O-N 2.94Å; N320-I323 VanDerWaalsContact O-N 3.08Å; N320-I323 PolarHBondContact OD1-N 3.13Å; I323-N325 VanDerWaalsContact C-N 3.33Å; I323-N325 PolarHBondContact O-N 3.5Å; I323-T326 PolarHBondContact O-N 2.93Å; I323-T326 VanDerWaalsContact O-N 3.11Å; I323-R327 HydrophobicContact CG2-CG 4.25Å; I323-R327 VanDerWaalsContact O-CG 3.31Å; I323-R327 WeakPolarHBondContact O-CG 3.23Å; I323-R327 PolarHBondContact O-N 3.05Å; I323-P433 HydrophobicContact CB-CB 4.35Å; I323-P433 HydrophobicContact CG1-CB 3.85Å
324E98Very high97.8Very high86 Ų8660.9 Ų60.940%0.40232%0.323SS..Hα-helixtrans-56.8-46.5176.4-67-174.2169.900112.2R319 N320 S321 T326 R327 R328R319-E324 HydrophobicContact CG-CG 3.82Å; N320-E324 PolarHBondContact O-N 2.85Å; S321-E324 PolarHBondContact O-N 3.03Å; E324-T326 VanDerWaalsContact C-N 3.31Å; E324-T326 PolarHBondContact O-N 2.75Å; E324-R327 PolarHBondContact O-N 3.21Å; E324-R328 WeakPolarHBondContact O-CG 3.26Å; E324-R328 PolarHBondContact O-N 2.94Å; E324-R328 IonicContact OE2-NH2 3.56Å
325N97.9Very high97.9Very high79 Ų7960.8 Ų60.842%0.42232%0.322SS..Hα-helixtrans-59.4-43.1176-71.4-13.4000111.5S321 I323 R328 H329S321-N325 VanDerWaalsContact O-CB 3.3Å; S321-N325 WeakPolarHBondContact O-CB 3.47Å; S321-N325 PolarHBondContact O-N 3.48Å; S321-N325 PolarHBondContact O-ND2 3.4Å; S321-N325 PolarHBondContact O-OD1 3.22Å; I323-N325 VanDerWaalsContact C-N 3.33Å; I323-N325 PolarHBondContact O-N 3.5Å; N325-R328 PolarHBondContact O-N 3.27Å; N325-R328 PolarHBondContact OD1-NH1 2.84Å; N325-H329 PolarHBondContact O-ND1 3.21Å
326T98.4Very high97.9Very high3 Ų355.7 Ų55.72%0.01829%0.286CS..Hα-helixtrans-66.2-43.8180-58.60000111.6T322 I323 E324 R328 H329 I330 V417 P433 C434T322-T326 WeakPolarHBondContact O-CB 3.42Å; T322-T326 PolarHBondContact O-N 3.31Å; T322-T326 PolarHBondContact O-OG1 2.78Å; I323-T326 PolarHBondContact O-N 2.93Å; I323-T326 VanDerWaalsContact O-N 3.11Å; E324-T326 VanDerWaalsContact C-N 3.31Å; E324-T326 PolarHBondContact O-N 2.75Å; T326-R328 VanDerWaalsContact C-N 3.27Å; T326-R328 PolarHBondContact O-N 3.14Å; T326-H329 PolarHBondContact O-N 3.09Å; T326-I330 PolarHBondContact O-N 3.4Å; T326-V417 HydrophobicContact CG2-CB 3.94Å; T326-V417 HydrophobicContact CG2-CG2 3.98Å; T326-P433 HydrophobicContact CG2-CB 4.1Å; T326-P433 HydrophobicContact CG2-CG 4.43Å; T326-C434 HydrophobicContact CG2-CB 3.98Å
327R98.5Very high97.9Very high24 Ų2455 Ų559%0.09128%0.282CS..Hα-helixtrans-56.2-38.7177.7-71.9169.260.174.81112.9Y276 E278 L311 G312 L314 R319 I323 E324 H329 I330 C434Y276-R327 PolarHBondContact OH-NH1 2.95Å; E278-R327 WeakPolarHBondContact OE1-CD 3.27Å; E278-R327 IonicContact OE1-CZ 3.8Å; E278-R327 IonicContact OE1-NE 3.89Å; E278-R327 IonicContact OE1-NH1 3.17Å; E278-R327 PolarHBondContact OE1-NH1 3.48Å; L311-R327 VanDerWaalsContact O-CZ 3.29Å; L311-R327 PolarHBondContact O-NH1 3.16Å; L311-R327 PolarHBondContact O-NH2 2.83Å; G312-R327 VanDerWaalsContact C-NH2 3.28Å; G312-R327 VanDerWaalsContact CA-NH2 3.31Å; G312-R327 PolarHBondContact O-NH2 3.22Å; L314-R327 PolarHBondContact O-NH2 2.95Å; R319-R327 VanDerWaalsContact CZ-NE 3.29Å; R319-R327 VanDerWaalsContact NH2-CZ 3.3Å; I323-R327 HydrophobicContact CG2-CG 4.25Å; I323-R327 VanDerWaalsContact O-CG 3.31Å; I323-R327 WeakPolarHBondContact O-CG 3.23Å; I323-R327 PolarHBondContact O-N 3.05Å; E324-R327 PolarHBondContact O-N 3.21Å; R327-H329 PolarHBondContact O-N 2.85Å; R327-I330 HydrophobicContact CG-CD1 4.5Å; R327-I330 WeakPolarHBondContact O-CB 3.35Å; R327-I330 PolarHBondContact O-N 3.32Å; R327-C434 VanDerWaalsContact CG-SG 3.55Å
328R98Very high97.8Very high158 Ų15849.2 Ų49.260%0.59624%0.244SC*.Hα-helixtrans-62.2-28176.9-65.1-173.4-152.8101.28.4113.1E324 N325 T326E324-R328 WeakPolarHBondContact O-CG 3.26Å; E324-R328 PolarHBondContact O-N 2.94Å; E324-R328 IonicContact OE2-NH2 3.56Å; N325-R328 PolarHBondContact O-N 3.27Å; N325-R328 PolarHBondContact OD1-NH1 2.84Å; T326-R328 VanDerWaalsContact C-N 3.27Å; T326-R328 PolarHBondContact O-N 3.14Å
329H98.2Very high97.7Very high106 Ų10644.7 Ų44.749%0.49122%0.221SC..Hα-helixtrans-92.5-4.1-179-65.886.6000113.5N325 T326 R327 G331 S349 V417N325-H329 PolarHBondContact O-ND1 3.21Å; T326-H329 PolarHBondContact O-N 3.09Å; R327-H329 PolarHBondContact O-N 2.85Å; H329-G331 VanDerWaalsContact C-N 3.31Å; H329-S349 PolarHBondContact O-OG 2.99Å; H329-V417 HydrophobicContact CB-CG1 4.24Å; H329-V417 HydrophobicContact CB-CG2 3.7Å
330I98.5Very high97.4Very high0 Ų042.9 Ų42.90%022%0.218CC..Hα-helixtrans-61-46.5172.2-61.3177000108.8L311 T326 R327 K332 G333 S349 F416 C434L311-I330 HydrophobicContact CD1-CD1 4.08Å; T326-I330 PolarHBondContact O-N 3.4Å; R327-I330 HydrophobicContact CG-CD1 4.5Å; R327-I330 WeakPolarHBondContact O-CB 3.35Å; R327-I330 PolarHBondContact O-N 3.32Å; I330-K332 PolarHBondContact O-N 3.31Å; I330-G333 WeakPolarHBondContact O-CA 3.09Å; I330-G333 PolarHBondContact O-N 3.49Å; I330-S349 WeakPolarHBondContact O-CB 3.34Å; I330-S349 PolarHBondContact O-OG 3.36Å; I330-F416 HydrophobicContact CD1-CB 4.42Å; I330-F416 HydrophobicContact CD1-CD2 4.35Å; I330-F416 HydrophobicContact CD1-CG 4.3Å; I330-F416 HydrophobicContact CG1-CB 3.93Å; I330-F416 HydrophobicContact CG1-CD1 4.41Å; I330-F416 HydrophobicContact CG1-CG 4.09Å; I330-F416 HydrophobicContact CG2-CD1 3.96Å; I330-F416 HydrophobicContact CG2-CE1 4.14Å; I330-F416 HydrophobicContact CG2-CG 4.41Å; I330-C434 HydrophobicContact CD1-CB 4.22Å
331G97.4Very high97.2Very high23 Ų2339.8 Ų39.824%0.23720%0.203CC..THydrogen-bonded Turntrans56.6-124.8177.200000111.3D297 G298 F299 H329 G333D297-G331 WeakPolarHBondContact CB-O 3.5Å; G298-G331 PolarHBondContact N-O 2.96Å; F299-G331 WeakPolarHBondContact CE2-O 3.35Å; H329-G331 VanDerWaalsContact C-N 3.31Å; G331-G333 PolarHBondContact O-N 3.41Å
332K97Very high97.2Very high121 Ų12138 Ų3853%0.52619%0.186SC..THydrogen-bonded Turntrans-70.2-11.8174.8-59.3171.2-170.61550113.7L295 D297 F299 I330 L348L295-K332 WeakPolarHBondContact CD1-O 3.45Å; D297-K332 WeakPolarHBondContact CB-O 3.48Å; F299-K332 HydrophobicContact CE2-CG 4.17Å; F299-K332 HydrophobicContact CZ-CG 4.49Å; I330-K332 PolarHBondContact O-N 3.31Å; K332-L348 HydrophobicContact CB-CB 3.75Å
333G98.3Very high97.2Very high0 Ų035.1 Ų35.10%017%0.168CC..  trans63.4-128.6172.400000114.3V296 I330 G331 L348 S349V296-G333 CarbonylContact O-C 3.12Å; V296-G333 VanDerWaalsContact O-CA 3.28Å; V296-G333 WeakPolarHBondContact O-CA 3.19Å; I330-G333 WeakPolarHBondContact O-CA 3.09Å; I330-G333 PolarHBondContact O-N 3.49Å; G331-G333 PolarHBondContact O-N 3.41Å; G333-L348 CarbonylContact O-C 3.58Å; G333-L348 PolarHBondContact O-N 3.43Å; G333-S349 PolarHBondContact O-N 2.9Å
334V98.7Very high97.2Very high0 Ų037.3 Ų37.30%018%0.176CC..EExtended strand (participates in β ladder)trans-124.8138.7-175.962.40000110.8V296 L336 A345 E346 I353 M414 F416 I436V296-V334 HydrophobicContact CB-CG1 3.84Å; V296-V334 HydrophobicContact CG2-CG1 4.31Å; V296-V334 PolarHBondContact N-O 2.94Å; V296-V334 PolarHBondContact O-N 3.09Å; V334-L336 HydrophobicContact CG1-CG 4.48Å; V334-L336 HydrophobicContact CG2-CD2 4.13Å; V334-L336 HydrophobicContact CG2-CG 4.4Å; V334-A345 HydrophobicContact CG2-CB 4.06Å; V334-E346 WeakPolarHBondContact CA-O 2.82Å; V334-E346 WeakPolarHBondContact CG2-O 2.87Å; V334-I353 HydrophobicContact CB-CD1 4.05Å; V334-I353 HydrophobicContact CG2-CD1 3.6Å; V334-M414 HydrophobicContact CB-SD 3.99Å; V334-M414 HydrophobicContact CG1-SD 3.76Å; V334-M414 HydrophobicContact CG2-CE 3.95Å; V334-M414 HydrophobicContact CG2-SD 3.83Å; V334-F416 HydrophobicContact CB-CE1 4.32Å; V334-F416 HydrophobicContact CG1-CE1 3.86Å; V334-F416 HydrophobicContact CG1-CZ 4Å; V334-I436 HydrophobicContact CG1-CD1 4.42Å
335H98Very high97.2Very high21 Ų2133.2 Ų33.210%0.09716%0.157CC..EExtended strand (participates in β ladder)trans-100.6114.9167.6175.4-153.3000109.3H102 S293 V294 L295 Y337 E346 L348H102-H335 AromaticContact CD2-CE1 3.92Å; H102-H335 AromaticContact NE2-CE1 3.9Å; S293-H335 PolarHBondContact OG-NE2 3.43Å; V294-H335 PolarHBondContact O-CD2 3.31Å; L295-H335 HydrophobicContact CD1-CB 4.34Å; H335-Y337 AromaticContact CE1-CD1 3.79Å; H335-Y337 AromaticContact ND1-CD1 3.97Å; H335-E346 HydrophobicContact CB-CB 4.32Å; H335-E346 PolarHBondContact N-O 2.88Å; H335-E346 IonicContact ND1-OE2 3.75Å; H335-E346 PolarHBondContact O-N 2.9Å; H335-L348 HydrophobicContact CB-CD1 3.68Å; H335-L348 HydrophobicContact CB-CG 4.07Å
336L98.1Very high97.2Very high1 Ų131.6 Ų31.61%0.00515%0.147CC..EExtended strand (participates in β ladder)trans-97.1127.8173.3-62.6172.4000108.5W271 I274 V294 V296 V334 Y344 A345 I382 M414 I438W271-L336 HydrophobicContact CH2-CB 4.16Å; I274-L336 HydrophobicContact CD1-CD1 3.68Å; V294-L336 PolarHBondContact N-O 2.8Å; V294-L336 PolarHBondContact O-N 3.14Å; V296-L336 HydrophobicContact CG2-CD1 4.27Å; V334-L336 HydrophobicContact CG1-CG 4.48Å; V334-L336 HydrophobicContact CG2-CD2 4.13Å; V334-L336 HydrophobicContact CG2-CG 4.4Å; L336-Y344 WeakPolarHBondContact CA-O 3.21Å; L336-A345 HydrophobicContact CD2-CB 3.92Å; L336-I382 HydrophobicContact CD2-CD1 4.1Å; L336-M414 HydrophobicContact CD2-CE 4.07Å; L336-I438 HydrophobicContact CD1-CD1 3.68Å; L336-I438 HydrophobicContact CD1-CG1 4.31Å; L336-I438 HydrophobicContact CD2-CD1 4.09Å
337Y96.6Very high97.2Very high16 Ų1631.4 Ų31.46%0.06315%0.146CC..EExtended strand (participates in β ladder)trans-136.4138.7174.860.3-88.7000112.4H102 T292 H335 V339 V343 Y344 E346 S379H102-Y337 HydrophobicContact CB-CD2 3.66Å; H102-Y337 HydrophobicContact CB-CE2 3.56Å; H102-Y337 HydrophobicContact CB-CG 4.42Å; H102-Y337 AromaticContact CD2-CD1 3.49Å; H102-Y337 VanDerWaalsContact CD2-CD1 3.49Å; H102-Y337 WeakPolarHBondContact CD2-CD1 3.49Å; H102-Y337 AromaticContact CD2-CD2 3.6Å; H102-Y337 AromaticContact CD2-CE1 3.47Å; H102-Y337 VanDerWaalsContact CD2-CE1 3.47Å; H102-Y337 WeakPolarHBondContact CD2-CE1 3.49Å; H102-Y337 AromaticContact CD2-CE2 3.57Å; H102-Y337 AromaticContact CD2-CG 3.55Å; H102-Y337 AromaticContact CD2-CZ 3.51Å; H102-Y337 AromaticContact CE1-CE1 3.76Å; H102-Y337 AromaticContact CE1-CZ 3.57Å; H102-Y337 AromaticContact CG-CD2 3.68Å; H102-Y337 AromaticContact CG-CE2 3.36Å; H102-Y337 AromaticContact CG-CZ 3.55Å; H102-Y337 AromaticContact ND1-CE2 3.77Å; H102-Y337 AromaticContact ND1-CZ 3.58Å; H102-Y337 AromaticContact NE2-CD1 3.72Å; H102-Y337 AromaticContact NE2-CE1 3.36Å; H102-Y337 WeakPolarHBondContact NE2-CE1 3.34Å; H102-Y337 AromaticContact NE2-CZ 3.6Å; T292-Y337 CarbonylContact O-C 3.46Å; T292-Y337 WeakPolarHBondContact O-CA 3.27Å; H335-Y337 AromaticContact CE1-CD1 3.79Å; H335-Y337 AromaticContact ND1-CD1 3.97Å; Y337-V339 HydrophobicContact CD2-CG1 3.82Å; Y337-V339 HydrophobicContact CE2-CG1 3.95Å; Y337-V343 WeakPolarHBondContact O-CA 3.31Å; Y337-Y344 AromaticContact CD2-CD2 3.95Å; Y337-Y344 HydrophobicContact CD2-CD2 3.95Å; Y337-Y344 HydrophobicContact CD2-CG 4.21Å; Y337-Y344 VanDerWaalsContact CE1-CB 3.46Å; Y337-Y344 HydrophobicContact CE1-CG 4.3Å; Y337-Y344 HydrophobicContact CE2-CD1 4.24Å; Y337-Y344 AromaticContact CE2-CD2 3.36Å; Y337-Y344 HydrophobicContact CE2-CD2 3.36Å; Y337-Y344 HydrophobicContact CE2-CE2 4.2Å; Y337-Y344 AromaticContact CE2-CG 3.41Å; Y337-Y344 HydrophobicContact CE2-CG 3.41Å; Y337-Y344 VanDerWaalsContact CE2-CG 3.41Å; Y337-Y344 AromaticContact CZ-CD2 3.96Å; Y337-Y344 AromaticContact CZ-CG 3.46Å; Y337-Y344 VanDerWaalsContact CZ-CG 3.46Å; Y337-Y344 PolarHBondContact N-O 3.5Å; Y337-Y344 VanDerWaalsContact N-O 3.14Å; Y337-Y344 PolarHBondContact O-N 3.12Å; Y337-Y344 WeakPolarHBondContact OH-CB 3.37Å; Y337-Y344 WeakPolarHBondContact OH-CD1 3.45Å; Y337-E346 HydrophobicContact CE1-CB 4.35Å; Y337-S379 PolarHBondContact OH-OG 2.82Å
338Y96Very high97.2Very high21 Ų2132.8 Ų32.88%0.08216%0.155CC..EExtended strand (participates in β ladder)trans-105.3116.9176.4177.6-123.5000109.2E267 W271 T292 E342 V343 N385E267-Y338 WeakPolarHBondContact OE1-CE1 3.48Å; E267-Y338 PolarHBondContact OE1-OH 2.87Å; E267-Y338 PolarHBondContact OE2-OH 3.45Å; W271-Y338 HydrophobicContact CB-CD1 4.16Å; W271-Y338 HydrophobicContact CD2-CG 4.35Å; W271-Y338 HydrophobicContact CE3-CG 4.37Å; W271-Y338 HydrophobicContact CG-CD1 4.31Å; W271-Y338 HydrophobicContact CG-CG 4.45Å; T292-Y338 WeakPolarHBondContact CB-O 3.35Å; T292-Y338 HydrophobicContact CG2-CD1 4.43Å; T292-Y338 PolarHBondContact O-N 2.78Å; Y338-E342 WeakPolarHBondContact CA-O 3.32Å; Y338-E342 WeakPolarHBondContact CD2-O 3.46Å; Y338-V343 HydrophobicContact CD2-CG2 3.89Å; Y338-N385 PolarHBondContact OH-ND2 3.03Å
339V94.4Very high97.2Very high13 Ų1325.3 Ų25.38%0.07913%0.127CC..EExtended strand (participates in β ladder)trans-145.5129-177.762.90000110.1H102 E103 V131 Y337 G341 E342 Y344H102-V339 HydrophobicContact CB-CG1 4.46Å; E103-V339 HydrophobicContact CB-CG2 4.47Å; E103-V339 HydrophobicContact CG-CG2 4.16Å; V131-V339 HydrophobicContact CB-CG2 3.69Å; V131-V339 HydrophobicContact CG1-CG2 3.79Å; V131-V339 HydrophobicContact CG2-CG2 4.2Å; Y337-V339 HydrophobicContact CD2-CG1 3.82Å; Y337-V339 HydrophobicContact CE2-CG1 3.95Å; V339-G341 PolarHBondContact O-N 2.89Å; V339-E342 PolarHBondContact N-O 3.46Å; V339-E342 PolarHBondContact O-N 3.25Å; V339-Y344 HydrophobicContact CG1-CD2 4.05Å; V339-Y344 HydrophobicContact CG1-CE2 3.92Å
340G91.2Very high97.2Very high14 Ų1427.2 Ų27.214%0.14414%0.14CC..THydrogen-bonded Turntrans59.529.4174.500000114.9S133 P134 E342S133-G340 WeakPolarHBondContact OG-CA 3.34Å; P134-G340 WeakPolarHBondContact CD-O 3.42Å; G340-E342 VanDerWaalsContact C-N 3.32Å
341G93.9Very high97.2Very high4 Ų428.5 Ų28.54%0.04115%0.15CC..THydrogen-bonded Turntrans817-175.100000114.8S133 V339 N385S133-G341 PolarHBondContact OG-N 3.15Å; V339-G341 PolarHBondContact O-N 2.89Å; G341-N385 VanDerWaalsContact O-CB 3.23Å; G341-N385 WeakPolarHBondContact O-CB 3.16Å; G341-N385 VanDerWaalsContact O-CG 3.26Å; G341-N385 PolarHBondContact O-N 3.22Å
342E97.1Very high97.2Very high42 Ų4228.7 Ų28.720%0.19615%0.147CC..EExtended strand (participates in β ladder)trans-116.1145178.6-61-176.4133.200110.8Y338 V339 G340 Y344 K381 F383 N384Y338-E342 WeakPolarHBondContact CA-O 3.32Å; Y338-E342 WeakPolarHBondContact CD2-O 3.46Å; V339-E342 PolarHBondContact N-O 3.46Å; V339-E342 PolarHBondContact O-N 3.25Å; G340-E342 VanDerWaalsContact C-N 3.32Å; E342-Y344 HydrophobicContact CB-CD2 4.27Å; E342-Y344 HydrophobicContact CB-CE2 3.57Å; E342-Y344 PolarHBondContact OE2-OH 3.21Å; E342-K381 HydrophobicContact CB-CD 4.13Å; E342-K381 VanDerWaalsContact CD-CD 3.47Å; E342-K381 HydrophobicContact CG-CD 4.01Å; E342-K381 WeakPolarHBondContact OE1-CD 3.42Å; E342-K381 IonicContact OE1-NZ 3.27Å; E342-K381 PolarHBondContact OE1-NZ 2.9Å; E342-F383 CarbonylContact C-O 3.53Å; E342-F383 WeakPolarHBondContact CA-O 3.36Å; E342-N384 HydrophobicContact CG-CB 4.46Å
343V98Very high97.3Very high3 Ų323 Ų232%0.01812%0.122CC..EExtended strand (participates in β ladder)trans-111.7131.6174-173.60000109.2W271 Y337 Y338 I382 F383 L440W271-V343 HydrophobicContact CE3-CG2 4.34Å; W271-V343 HydrophobicContact CH2-CG1 4.06Å; W271-V343 HydrophobicContact CZ3-CG1 3.76Å; W271-V343 HydrophobicContact CZ3-CG2 3.92Å; Y337-V343 WeakPolarHBondContact O-CA 3.31Å; Y338-V343 HydrophobicContact CD2-CG2 3.89Å; V343-I382 HydrophobicContact CB-CG1 4.16Å; V343-I382 HydrophobicContact CG1-CD1 3.89Å; V343-I382 HydrophobicContact CG1-CG1 3.89Å; V343-I382 VanDerWaalsContact O-CG1 3.31Å; V343-I382 WeakPolarHBondContact O-CG1 3.47Å; V343-I382 PolarHBondContact O-N 2.81Å; V343-F383 HydrophobicContact CB-CB 3.88Å; V343-F383 HydrophobicContact CG2-CB 4.05Å; V343-F383 PolarHBondContact N-O 3.05Å; V343-F383 PolarHBondContact O-N 3.16Å; V343-F383 VanDerWaalsContact O-N 3.16Å; V343-L440 HydrophobicContact CG2-CD1 4.46Å; V343-L440 HydrophobicContact CG2-CD2 4.14Å
344Y98.3Very high97.3Very high49 Ų4923.4 Ų23.419%0.19212%0.124CC..EExtended strand (participates in β ladder)trans-119.1148.1178.3-68.3-100.5000111L336 Y337 V339 E342 L380 K381L336-Y344 WeakPolarHBondContact CA-O 3.21Å; Y337-Y344 AromaticContact CD2-CD2 3.95Å; Y337-Y344 HydrophobicContact CD2-CD2 3.95Å; Y337-Y344 HydrophobicContact CD2-CG 4.21Å; Y337-Y344 VanDerWaalsContact CE1-CB 3.46Å; Y337-Y344 HydrophobicContact CE1-CG 4.3Å; Y337-Y344 HydrophobicContact CE2-CD1 4.24Å; Y337-Y344 AromaticContact CE2-CD2 3.36Å; Y337-Y344 HydrophobicContact CE2-CD2 3.36Å; Y337-Y344 HydrophobicContact CE2-CE2 4.2Å; Y337-Y344 AromaticContact CE2-CG 3.41Å; Y337-Y344 HydrophobicContact CE2-CG 3.41Å; Y337-Y344 VanDerWaalsContact CE2-CG 3.41Å; Y337-Y344 AromaticContact CZ-CD2 3.96Å; Y337-Y344 AromaticContact CZ-CG 3.46Å; Y337-Y344 VanDerWaalsContact CZ-CG 3.46Å; Y337-Y344 PolarHBondContact N-O 3.5Å; Y337-Y344 VanDerWaalsContact N-O 3.14Å; Y337-Y344 PolarHBondContact O-N 3.12Å; Y337-Y344 WeakPolarHBondContact OH-CB 3.37Å; Y337-Y344 WeakPolarHBondContact OH-CD1 3.45Å; V339-Y344 HydrophobicContact CG1-CD2 4.05Å; V339-Y344 HydrophobicContact CG1-CE2 3.92Å; E342-Y344 HydrophobicContact CB-CD2 4.27Å; E342-Y344 HydrophobicContact CB-CE2 3.57Å; E342-Y344 PolarHBondContact OE2-OH 3.21Å; Y344-L380 WeakPolarHBondContact CA-O 3.41Å; Y344-K381 HydrophobicContact CD1-CB 3.93Å; Y344-K381 HydrophobicContact CE1-CB 3.65Å; Y344-K381 HydrophobicContact CE1-CD 4.46Å; Y344-K381 HydrophobicContact CE1-CG 4.2Å
345A98.6Very high97.3Very high0 Ų023.5 Ų23.50%013%0.125CC..EExtended strand (participates in β ladder)trans-116.6118.3168.300000109.5V334 L336 I374 S379 L380 I382 M414V334-A345 HydrophobicContact CG2-CB 4.06Å; L336-A345 HydrophobicContact CD2-CB 3.92Å; A345-I374 HydrophobicContact CB-CD1 4.07Å; A345-S379 WeakPolarHBondContact O-CA 3.5Å; A345-L380 PolarHBondContact N-O 2.88Å; A345-L380 PolarHBondContact O-N 2.78Å; A345-I382 HydrophobicContact CB-CD1 4.01Å; A345-I382 HydrophobicContact CB-CG1 4.4Å; A345-I382 HydrophobicContact CB-CG2 3.91Å; A345-M414 HydrophobicContact CB-CE 3.61Å
346E98.2Very high97.3Very high44 Ų4423.9 Ų23.921%0.20613%0.127CC..EExtended strand (participates in β ladder)trans-106.7122.2173-176.4-179.7-176.400110.3H102 V334 H335 Y337 L348 C378H102-E346 IonicContact NE2-OE2 2.74Å; V334-E346 WeakPolarHBondContact CA-O 2.82Å; V334-E346 WeakPolarHBondContact CG2-O 2.87Å; H335-E346 HydrophobicContact CB-CB 4.32Å; H335-E346 PolarHBondContact N-O 2.88Å; H335-E346 IonicContact ND1-OE2 3.75Å; H335-E346 PolarHBondContact O-N 2.9Å; Y337-E346 HydrophobicContact CE1-CB 4.35Å; E346-L348 HydrophobicContact CG-CD2 3.9Å; E346-L348 PolarHBondContact O-N 2.95Å; E346-C378 WeakPolarHBondContact CA-O 3.39Å
347C98.4Very high97.3Very high0 Ų023.9 Ų23.90%013%0.127CC..EExtended strand (participates in β ladder)trans-79.8102.3179.2-173.90000110.3S351 I353 I374 P375 S377 C378C347-S351 PolarHBondContact SG-O 2.88Å; C347-I353 HydrophobicContact CB-CD1 3.86Å; C347-I353 HydrophobicContact CB-CG1 3.99Å; C347-I374 HydrophobicContact CB-CG2 3.92Å; C347-P375 VanDerWaalsContact CB-O 3.27Å; C347-P375 WeakPolarHBondContact CB-O 3.06Å; C347-S377 WeakPolarHBondContact O-CA 3.36Å; C347-S377 PolarHBondContact O-N 3.16Å; C347-C378 PolarHBondContact N-O 2.95Å
348L97.9Very high97.4Very high52 Ų5226 Ų2627%0.27213%0.134SC..  trans-91-14.8176.4-59.7-175.2000113.1L295 K332 G333 H335 E346L295-L348 HydrophobicContact CD1-CD1 3.63Å; K332-L348 HydrophobicContact CB-CB 3.75Å; G333-L348 CarbonylContact O-C 3.58Å; G333-L348 PolarHBondContact O-N 3.43Å; H335-L348 HydrophobicContact CB-CD1 3.68Å; H335-L348 HydrophobicContact CB-CG 4.07Å; E346-L348 HydrophobicContact CG-CD2 3.9Å; E346-L348 PolarHBondContact O-N 2.95Å
349S98.1Very high97.4Very high2 Ų225.1 Ų25.11%0.01413%0.132CC..SBendtrans-65.2150.6172.1-175.80000111.4H329 I330 G333 S351 S376H329-S349 PolarHBondContact O-OG 2.99Å; I330-S349 WeakPolarHBondContact O-CB 3.34Å; I330-S349 PolarHBondContact O-OG 3.36Å; G333-S349 PolarHBondContact O-N 2.9Å; S349-S351 VanDerWaalsContact CB-O 3.32Å; S349-S351 WeakPolarHBondContact CB-O 3.35Å; S349-S351 PolarHBondContact O-N 3.47Å; S349-S351 PolarHBondContact OG-N 3.44Å; S349-S351 VanDerWaalsContact OG-N 3.09Å; S349-S351 PolarHBondContact OG-O 3.17Å; S349-S376 WeakPolarHBondContact O-CB 3.37Å; S349-S376 PolarHBondContact O-OG 2.83Å
350D98Very high97.6Very high145 Ų14524.7 Ų24.778%0.77513%0.129SC*.SBendtrans-71-18.7169.5-57.7-31.5000111.2
351S98.1Very high97.9Very high28 Ų2824 Ų2420%0.19612%0.122CC..SBendtrans-98.8148.6173.1-64.70000111.5C347 S349C347-S351 PolarHBondContact SG-O 2.88Å; S349-S351 VanDerWaalsContact CB-O 3.32Å; S349-S351 WeakPolarHBondContact CB-O 3.35Å; S349-S351 PolarHBondContact O-N 3.47Å; S349-S351 PolarHBondContact OG-N 3.44Å; S349-S351 VanDerWaalsContact OG-N 3.09Å; S349-S351 PolarHBondContact OG-O 3.17Å
352S98.2Very high98Very high26 Ų2627.2 Ų27.218%0.18214%0.135CC..  trans-64.2153.9176.9-520000112.9K373 I374 V417S352-K373 WeakPolarHBondContact OG-CE 3.45Å; S352-I374 WeakPolarHBondContact CA-O 3.31Å; S352-I374 WeakPolarHBondContact CB-O 3.24Å; S352-V417 WeakPolarHBondContact O-CA 3.36Å; S352-V417 PolarHBondContact O-N 3.43Å
353I98.7Very high97.9Very high1 Ų129 Ų291%0.00514%0.143CC..EExtended strand (participates in β ladder)trans-109.6158.6165.662.3-177.7000109.5V334 C347 I374 M414 S415 F416V334-I353 HydrophobicContact CB-CD1 4.05Å; V334-I353 HydrophobicContact CG2-CD1 3.6Å; C347-I353 HydrophobicContact CB-CD1 3.86Å; C347-I353 HydrophobicContact CB-CG1 3.99Å; I353-I374 HydrophobicContact CD1-CB 4.24Å; I353-I374 HydrophobicContact CD1-CD1 4.01Å; I353-I374 HydrophobicContact CG1-CB 3.71Å; I353-I374 HydrophobicContact CG1-CD1 4.14Å; I353-I374 HydrophobicContact CG1-CG1 4.32Å; I353-I374 HydrophobicContact CG1-CG2 4.38Å; I353-I374 PolarHBondContact N-O 3.38Å; I353-I374 VanDerWaalsContact N-O 3.09Å; I353-I374 PolarHBondContact O-N 2.96Å; I353-M414 HydrophobicContact CB-CG 4.23Å; I353-M414 HydrophobicContact CB-SD 4.29Å; I353-M414 HydrophobicContact CD1-CE 4.1Å; I353-M414 HydrophobicContact CD1-SD 3.81Å; I353-M414 HydrophobicContact CG1-SD 4.47Å; I353-S415 WeakPolarHBondContact CA-O 3.34Å; I353-F416 HydrophobicContact CG2-CD1 3.88Å; I353-F416 HydrophobicContact CG2-CE1 4.34Å
354F98.5Very high97.8Very high9 Ų931.4 Ų31.44%0.03915%0.154CC..EExtended strand (participates in β ladder)trans-130.2122.8-175.1-60.4-91.1000108.2V371 C372 K373 M414 S415 K418 G419 W420 Y424F354-V371 HydrophobicContact CB-CG1 3.78Å; F354-C372 CarbonylContact C-O 3.41Å; F354-C372 WeakPolarHBondContact CA-O 3.47Å; F354-K373 HydrophobicContact CD1-CB 3.85Å; F354-K373 HydrophobicContact CD1-CG 4.05Å; F354-K373 HydrophobicContact CE1-CB 3.79Å; F354-K373 HydrophobicContact CE1-CD 3.84Å; F354-K373 HydrophobicContact CE1-CG 3.57Å; F354-K373 HydrophobicContact CZ-CD 4.33Å; F354-K373 HydrophobicContact CZ-CG 4.16Å; F354-M414 CarbonylContact O-C 3.56Å; F354-M414 WeakPolarHBondContact O-CA 3.45Å; F354-S415 PolarHBondContact N-O 3.06Å; F354-S415 PolarHBondContact O-N 3.43Å; F354-K418 VanDerWaalsContact CD2-C 3.44Å; F354-K418 WeakPolarHBondContact CD2-O 3.28Å; F354-K418 VanDerWaalsContact CE2-C 3.43Å; F354-G419 VanDerWaalsContact CD1-CA 3.49Å; F354-G419 VanDerWaalsContact CG-CA 3.45Å; F354-W420 HydrophobicContact CB-CE3 4.04Å; F354-W420 HydrophobicContact CB-CZ3 3.61Å; F354-W420 VanDerWaalsContact O-CZ3 3.28Å; F354-W420 WeakPolarHBondContact O-CZ3 3.49Å; F354-Y424 HydrophobicContact CD1-CE2 4.36Å; F354-Y424 HydrophobicContact CE1-CE1 4.24Å; F354-Y424 HydrophobicContact CE1-CE2 4.19Å; F354-Y424 AromaticContact CE1-CZ 3.66Å; F354-Y424 WeakPolarHBondContact CE1-OH 3.36Å
355V98.5Very high97.6Very high2 Ų232.4 Ų32.41%0.01218%0.179CC..EExtended strand (participates in β ladder)trans-120.9130.8-170-177.60000110.2C372 I374 I382 I412 R413 M414V355-C372 PolarHBondContact N-O 3.49Å; V355-C372 PolarHBondContact O-N 2.87Å; V355-I374 HydrophobicContact CB-CD1 4.4Å; V355-I374 HydrophobicContact CG2-CD1 3.53Å; V355-I374 HydrophobicContact CG2-CG1 4.31Å; V355-I382 HydrophobicContact CG1-CB 4.5Å; V355-I382 HydrophobicContact CG1-CG2 3.92Å; V355-I412 HydrophobicContact CG1-CG2 3.7Å; V355-R413 WeakPolarHBondContact CA-O 3.35Å; V355-M414 HydrophobicContact CG2-CB 4.31Å; V355-M414 HydrophobicContact CG2-CE 3.51Å; V355-M414 HydrophobicContact CG2-CG 3.91Å; V355-M414 HydrophobicContact CG2-SD 4.37Å
356Q98.2Very high97.4Very high29 Ų2934.6 Ų34.614%0.13619%0.189CC..EExtended strand (participates in β ladder)trans-112.1103165.4-177.6-175.777.200107.7T369 V371 R413 W420Q356-T369 PolarHBondContact NE2-O 2.78Å; Q356-V371 HydrophobicContact CB-CG2 4.49Å; Q356-R413 PolarHBondContact N-O 2.88Å; Q356-R413 PolarHBondContact O-N 3.01Å; Q356-R413 VanDerWaalsContact O-N 3.09Å; Q356-W420 HydrophobicContact CB-CH2 4.1Å; Q356-W420 HydrophobicContact CB-CZ2 3.6Å
357S98.3Very high97.2Very high1 Ų134.7 Ų34.71%0.00719%0.189CC..  trans-121.4117.1171.2169.10000108.4N359 C360 N361 I382S357-N359 PolarHBondContact O-N 2.91Å; S357-N359 PolarHBondContact OG-N 2.78Å; S357-C360 PolarHBondContact O-N 3.46Å; S357-C360 PolarHBondContact OG-N 3.24Å; S357-N361 WeakPolarHBondContact O-CB 3.36Å; S357-N361 PolarHBondContact O-N 3.16Å; S357-N361 PolarHBondContact O-ND2 3.13Å; S357-N361 PolarHBondContact O-OD1 2.95Å; S357-I382 VanDerWaalsContact CB-O 3.29Å; S357-I382 WeakPolarHBondContact CB-O 3.2Å; S357-I382 PolarHBondContact OG-O 2.84Å
358R97.8Very high97Very high60 Ų6035.4 Ų35.423%0.22619%0.194CC..Hα-helixtrans-62.5-32.6178.6-62.6-169.9172.7-145.5-7112.2F362 P368 K408 M409R358-F362 VanDerWaalsContact O-CB 3.29Å; R358-F362 WeakPolarHBondContact O-CB 3.48Å; R358-F362 PolarHBondContact O-N 2.74Å; R358-P368 HydrophobicContact CG-CB 4.49Å; R358-P368 WeakPolarHBondContact CG-O 3.47Å; R358-K408 WeakPolarHBondContact CD-O 3.26Å; R358-M409 HydrophobicContact CB-CG 4.4Å; R358-M409 HydrophobicContact CB-SD 3.27Å; R358-M409 WeakPolarHBondContact CB-SD 3.3Å; R358-M409 HydrophobicContact CG-SD 4.44Å
359N98Very high96.8Very high4 Ų434.9 Ų34.92%0.02119%0.193CC..Hα-helixtrans-65.6-48.6174.6-177.2-102.3000111.5S357 N361 F362 H363 F383 N384 E387 M409S357-N359 PolarHBondContact O-N 2.91Å; S357-N359 PolarHBondContact OG-N 2.78Å; N359-N361 VanDerWaalsContact C-N 3.32Å; N359-N361 PolarHBondContact O-N 3.07Å; N359-F362 PolarHBondContact O-N 3.32Å; N359-H363 PolarHBondContact O-N 3.24Å; N359-F383 HydrophobicContact CB-CD2 3.49Å; N359-F383 VanDerWaalsContact CB-CD2 3.49Å; N359-F383 HydrophobicContact CB-CE2 3.75Å; N359-F383 HydrophobicContact CB-CG 4.32Å; N359-F383 VanDerWaalsContact OD1-CA 3.27Å; N359-F383 WeakPolarHBondContact OD1-CA 3.38Å; N359-N384 PolarHBondContact OD1-N 3.39Å; N359-E387 PolarHBondContact ND2-OE1 3.16Å; N359-E387 PolarHBondContact OD1-OE1 3.25Å; N359-M409 VanDerWaalsContact CA-CE 3.47Å; N359-M409 HydrophobicContact CB-CE 3.82Å
360C97.6Very high96.7Very high4 Ų435 Ų353%0.02719%0.194CC..Hα-helixtrans-61.7-40.8176.2-1730000112S357 H363 H364 K381S357-C360 PolarHBondContact O-N 3.46Å; S357-C360 PolarHBondContact OG-N 3.24Å; C360-H363 PolarHBondContact O-N 3.31Å; C360-H364 PolarHBondContact O-N 2.89Å; C360-H364 PolarHBondContact O-ND1 2.92Å; C360-K381 PolarHBondContact SG-O 3.22Å
361N97.1Very high96.7Very high0 Ų028.2 Ų28.20%016%0.157CC..Hα-helixtrans-64.5-44.9177.9-68.3-12.9000111.3S357 N359 H363 H364 G365 F366 H367 P368 T370S357-N361 WeakPolarHBondContact O-CB 3.36Å; S357-N361 PolarHBondContact O-N 3.16Å; S357-N361 PolarHBondContact O-ND2 3.13Å; S357-N361 PolarHBondContact O-OD1 2.95Å; N359-N361 VanDerWaalsContact C-N 3.32Å; N359-N361 PolarHBondContact O-N 3.07Å; N361-H363 PolarHBondContact O-N 3.39Å; N361-H364 PolarHBondContact O-N 2.99Å; N361-G365 PolarHBondContact O-N 3.25Å; N361-G365 VanDerWaalsContact O-N 3.08Å; N361-F366 HydrophobicContact CB-CB 4.11Å; N361-F366 PolarHBondContact O-N 3.27Å; N361-H367 WeakPolarHBondContact CB-O 3.3Å; N361-H367 PolarHBondContact ND2-O 2.97Å; N361-P368 PolarHBondContact ND2-O 3.36Å; N361-T370 PolarHBondContact ND2-N 2.94Å; N361-T370 PolarHBondContact ND2-O 3.23Å
362F96Very high96.6Very high71 Ų7127 Ų2731%0.31115%0.149SC..Hα-helixtrans-58.4-48174.9178.7-94.6000111.8F157 R358 N359 H364 G365 E387 L391F157-F362 HydrophobicContact CZ-CD2 4.01Å; F157-F362 HydrophobicContact CZ-CE2 4.46Å; R358-F362 VanDerWaalsContact O-CB 3.29Å; R358-F362 WeakPolarHBondContact O-CB 3.48Å; R358-F362 PolarHBondContact O-N 2.74Å; N359-F362 PolarHBondContact O-N 3.32Å; F362-H364 PolarHBondContact O-N 3.2Å; F362-G365 PolarHBondContact O-N 3.09Å; F362-G365 VanDerWaalsContact O-N 3.1Å; F362-E387 HydrophobicContact CD1-CG 4.14Å; F362-E387 HydrophobicContact CE1-CG 4.26Å; F362-L391 HydrophobicContact CD1-CD1 3.88Å; F362-L391 HydrophobicContact CD1-CD2 4.46Å; F362-L391 HydrophobicContact CE1-CD1 4.02Å; F362-L391 HydrophobicContact CE1-CD2 3.86Å; F362-L391 HydrophobicContact CE1-CG 4.18Å; F362-L391 HydrophobicContact CE2-CD2 3.98Å; F362-L391 HydrophobicContact CG-CD1 4.22Å; F362-L391 HydrophobicContact CZ-CD1 4.49Å; F362-L391 HydrophobicContact CZ-CD2 3.6Å; F362-L391 HydrophobicContact CZ-CG 4.42Å
363H95.8Very high96.6Very high79 Ų7928.6 Ų28.637%0.36615%0.152SC..Hα-helixtrans-54.9-38.4179.4-171.875.6000113.5N359 C360 N361 E387N359-H363 PolarHBondContact O-N 3.24Å; C360-H363 PolarHBondContact O-N 3.31Å; N361-H363 PolarHBondContact O-N 3.39Å; H363-E387 WeakPolarHBondContact CB-OE2 3.38Å; H363-E387 IonicContact CE1-OE2 3.74Å; H363-E387 IonicContact CG-OE2 3.56Å; H363-E387 IonicContact ND1-OE2 3.31Å; H363-E387 PolarHBondContact ND1-OE2 2.81Å
364H94.7Very high96.6Very high54 Ų5428.6 Ų28.625%0.2515%0.152CC..THydrogen-bonded Turntrans-97.75.4-177-59.895.6000113.4F177 C360 N361 F362 F366F177-H364 AromaticContact CD1-CD2 3.59Å; F177-H364 AromaticContact CD1-CE1 3.7Å; F177-H364 AromaticContact CD1-CG 3.9Å; F177-H364 AromaticContact CD1-ND1 3.97Å; F177-H364 AromaticContact CD1-NE2 3.46Å; F177-H364 WeakPolarHBondContact CD1-NE2 3.42Å; F177-H364 AromaticContact CE1-CE1 3.81Å; F177-H364 AromaticContact CE1-ND1 3.88Å; C360-H364 PolarHBondContact O-N 2.89Å; C360-H364 PolarHBondContact O-ND1 2.92Å; N361-H364 PolarHBondContact O-N 2.99Å; F362-H364 PolarHBondContact O-N 3.2Å; H364-F366 HydrophobicContact CB-CD1 4.4Å; H364-F366 HydrophobicContact CB-CD2 3.8Å; H364-F366 HydrophobicContact CB-CE1 4.17Å; H364-F366 HydrophobicContact CB-CE2 3.54Å; H364-F366 HydrophobicContact CB-CG 4.22Å; H364-F366 HydrophobicContact CB-CZ 3.73Å; H364-F366 PolarHBondContact O-N 3.24Å
365G94.5Very high96.6Very high69 Ų6929.7 Ų29.771%0.71116%0.16SC*.THydrogen-bonded Turntrans68.520.4-178.700000114.4N361 F362N361-G365 PolarHBondContact O-N 3.25Å; N361-G365 VanDerWaalsContact O-N 3.08Å; F362-G365 PolarHBondContact O-N 3.09Å; F362-G365 VanDerWaalsContact O-N 3.1Å
366F94.7Very high96.5Very high46 Ų4631.5 Ų31.520%0.20217%0.173CC..  trans-80.8160.7173.3-55.2-33.6000111.1A171 S176 F177 N361 H364 T370A171-F366 HydrophobicContact CB-CD2 4.15Å; A171-F366 HydrophobicContact CB-CE2 3.71Å; A171-F366 HydrophobicContact CB-CZ 3.98Å; S176-F366 WeakPolarHBondContact O-CZ 3.33Å; F177-F366 HydrophobicContact CD1-CE2 4.33Å; F177-F366 AromaticContact CE1-CE2 3.94Å; F177-F366 HydrophobicContact CE1-CE2 3.94Å; F177-F366 HydrophobicContact CE2-CE2 4.36Å; F177-F366 AromaticContact CZ-CE2 3.96Å; F177-F366 HydrophobicContact CZ-CE2 3.96Å; N361-F366 HydrophobicContact CB-CB 4.11Å; N361-F366 PolarHBondContact O-N 3.27Å; H364-F366 HydrophobicContact CB-CD1 4.4Å; H364-F366 HydrophobicContact CB-CD2 3.8Å; H364-F366 HydrophobicContact CB-CE1 4.17Å; H364-F366 HydrophobicContact CB-CE2 3.54Å; H364-F366 HydrophobicContact CB-CG 4.22Å; H364-F366 HydrophobicContact CB-CZ 3.73Å; H364-F366 PolarHBondContact O-N 3.24Å; F366-T370 HydrophobicContact CB-CG2 4.02Å; F366-T370 HydrophobicContact CD2-CG2 4.2Å; F366-T370 HydrophobicContact CG-CG2 4.25Å
367H94.2Very high96.4Very high47 Ų4734.9 Ų34.922%0.21820%0.2CC..  trans-57.8141171.7-172.6-86.7000110.1E164 P168 N361 T369 T370E164-H367 IonicContact OE2-CD2 3.85Å; P168-H367 HydrophobicContact CB-CB 3.3Å; P168-H367 HydrophobicContact CG-CB 3.84Å; P168-H367 WeakPolarHBondContact CG-ND1 3.47Å; N361-H367 WeakPolarHBondContact CB-O 3.3Å; N361-H367 PolarHBondContact ND2-O 2.97Å; H367-T369 PolarHBondContact CE1-OG1 2.66Å; H367-T369 PolarHBondContact ND1-N 2.73Å; H367-T369 PolarHBondContact ND1-OG1 2.9Å; H367-T369 PolarHBondContact O-N 2.87Å; H367-T370 PolarHBondContact N-OG1 2.9Å; H367-T370 VanDerWaalsContact O-CB 3.27Å; H367-T370 WeakPolarHBondContact O-CB 3.47Å; H367-T370 PolarHBondContact O-N 2.81Å; H367-T370 PolarHBondContact O-OG1 2.9Å
368P93.9Very high96.3Very high15 Ų1536.3 Ų36.310%0.09721%0.209CC..THydrogen-bonded Turntrans-54-28-175.8-29.134.6000114.8F157 L160 R358 N361F157-P368 HydrophobicContact CD1-CB 4.5Å; F157-P368 HydrophobicContact CD1-CG 3.74Å; F157-P368 HydrophobicContact CE1-CG 3.95Å; L160-P368 HydrophobicContact CD1-CG 4.5Å; R358-P368 HydrophobicContact CG-CB 4.49Å; R358-P368 WeakPolarHBondContact CG-O 3.47Å; N361-P368 PolarHBondContact ND2-O 3.36Å
369T94.8Very high96.2Very high41 Ų4135.2 Ų35.225%0.25221%0.211SC..THydrogen-bonded Turntrans-97.65.1178.962.50000114.8P168 Q356 H367 V371P168-T369 VanDerWaalsContact CG-OG1 3.31Å; P168-T369 WeakPolarHBondContact CG-OG1 3.45Å; Q356-T369 PolarHBondContact NE2-O 2.78Å; H367-T369 PolarHBondContact CE1-OG1 2.66Å; H367-T369 PolarHBondContact ND1-N 2.73Å; H367-T369 PolarHBondContact ND1-OG1 2.9Å; H367-T369 PolarHBondContact O-N 2.87Å; T369-V371 PolarHBondContact O-N 2.81Å
370T95.4Very high96.2Very high5 Ų535.3 Ų35.33%0.03121%0.212CC..PPolyproline II helixtrans-53.9138.8173.8-72.90000111.2Q169 A171 N361 F366 H367Q169-T370 WeakPolarHBondContact O-CG2 3.28Å; Q169-T370 PolarHBondContact O-OG1 2.84Å; Q169-T370 VanDerWaalsContact O-OG1 3.12Å; A171-T370 HydrophobicContact CB-CG2 4.01Å; N361-T370 PolarHBondContact ND2-N 2.94Å; N361-T370 PolarHBondContact ND2-O 3.23Å; F366-T370 HydrophobicContact CB-CG2 4.02Å; F366-T370 HydrophobicContact CD2-CG2 4.2Å; F366-T370 HydrophobicContact CG-CG2 4.25Å; H367-T370 PolarHBondContact N-OG1 2.9Å; H367-T370 VanDerWaalsContact O-CB 3.27Å; H367-T370 WeakPolarHBondContact O-CB 3.47Å; H367-T370 PolarHBondContact O-N 2.81Å; H367-T370 PolarHBondContact O-OG1 2.9Å
371V97.4Very high96.2Very high2 Ų237.6 Ų37.61%0.01222%0.221CC..PPolyproline II helixtrans-102.8121.1174.9-176.10000109N170 A171 F354 Q356 T369 W420N170-V371 WeakPolarHBondContact CA-O 3.45Å; N170-V371 WeakPolarHBondContact CB-O 3.45Å; A171-V371 PolarHBondContact N-O 2.83Å; F354-V371 HydrophobicContact CB-CG1 3.78Å; Q356-V371 HydrophobicContact CB-CG2 4.49Å; T369-V371 PolarHBondContact O-N 2.81Å; V371-W420 WeakPolarHBondContact CB-O 3.48Å; V371-W420 HydrophobicContact CG1-CD2 4.1Å; V371-W420 HydrophobicContact CG1-CE3 3.92Å; V371-W420 HydrophobicContact CG1-CH2 3.89Å; V371-W420 HydrophobicContact CG1-CZ2 4.08Å; V371-W420 HydrophobicContact CG1-CZ3 3.81Å; V371-W420 HydrophobicContact CG2-CD2 3.9Å; V371-W420 VanDerWaalsContact CG2-CE2 3.41Å; V371-W420 HydrophobicContact CG2-CG 4.26Å; V371-W420 HydrophobicContact CG2-CH2 4.37Å; V371-W420 HydrophobicContact CG2-CZ2 3.71Å; V371-W420 WeakPolarHBondContact CG2-O 3.36Å
372C97.3Very high96.3Very high2 Ų237.7 Ų37.71%0.01422%0.221CC..EExtended strand (participates in β ladder)trans-95.9116.9-179.6-64.20000110.4A171 F177 F354 V355 L380A171-C372 CarbonylContact O-C 3.5Å; A171-C372 WeakPolarHBondContact O-CA 3.47Å; F177-C372 HydrophobicContact CZ-CB 4.02Å; F354-C372 CarbonylContact C-O 3.41Å; F354-C372 WeakPolarHBondContact CA-O 3.47Å; V355-C372 PolarHBondContact N-O 3.49Å; V355-C372 PolarHBondContact O-N 2.87Å; C372-L380 HydrophobicContact CB-CD2 4.17Å
373K97.9Very high96.4Very high60 Ų6034.3 Ų34.326%0.26121%0.207SC..EExtended strand (participates in β ladder)trans-77.4126.6171.2179.8-177.5177.8-174.30110.2A171 T172 F173 S352 F354A171-K373 PolarHBondContact O-N 3.48Å; T172-K373 HydrophobicContact CG2-CB 4.44Å; T172-K373 HydrophobicContact CG2-CD 4.15Å; F173-K373 WeakPolarHBondContact CB-O 3.19Å; F173-K373 PolarHBondContact N-O 3.49Å; S352-K373 WeakPolarHBondContact OG-CE 3.45Å; F354-K373 HydrophobicContact CD1-CB 3.85Å; F354-K373 HydrophobicContact CD1-CG 4.05Å; F354-K373 HydrophobicContact CE1-CB 3.79Å; F354-K373 HydrophobicContact CE1-CD 3.84Å; F354-K373 HydrophobicContact CE1-CG 3.57Å; F354-K373 HydrophobicContact CZ-CD 4.33Å; F354-K373 HydrophobicContact CZ-CG 4.16Å
374I98Very high96.5Very high0 Ų031.6 Ų31.60%020%0.195CC..EExtended strand (participates in β ladder)trans-109.2108.7171.5-51.9172.5000107.7A345 C347 S352 I353 V355 C378 L380A345-I374 HydrophobicContact CB-CD1 4.07Å; C347-I374 HydrophobicContact CB-CG2 3.92Å; S352-I374 WeakPolarHBondContact CA-O 3.31Å; S352-I374 WeakPolarHBondContact CB-O 3.24Å; I353-I374 HydrophobicContact CD1-CB 4.24Å; I353-I374 HydrophobicContact CD1-CD1 4.01Å; I353-I374 HydrophobicContact CG1-CB 3.71Å; I353-I374 HydrophobicContact CG1-CD1 4.14Å; I353-I374 HydrophobicContact CG1-CG1 4.32Å; I353-I374 HydrophobicContact CG1-CG2 4.38Å; I353-I374 PolarHBondContact N-O 3.38Å; I353-I374 VanDerWaalsContact N-O 3.09Å; I353-I374 PolarHBondContact O-N 2.96Å; V355-I374 HydrophobicContact CB-CD1 4.4Å; V355-I374 HydrophobicContact CG2-CD1 3.53Å; V355-I374 HydrophobicContact CG2-CG1 4.31Å; I374-C378 HydrophobicContact CG2-CB 3.79Å; I374-C378 WeakPolarHBondContact CG2-O 3.35Å; I374-L380 HydrophobicContact CD1-CB 3.71Å; I374-L380 HydrophobicContact CD1-CD2 3.97Å; I374-L380 HydrophobicContact CD1-CG 4.43Å; I374-L380 HydrophobicContact CG1-CB 4.05Å; I374-L380 HydrophobicContact CG1-CD2 3.97Å
375P97.8Very high96.6Very high33 Ų3329.3 Ų29.321%0.21418%0.184CC..  trans-64.2165.7175.5-22.534.5000113.1F173 C347 S377 C378F173-P375 VanDerWaalsContact O-CD 3.24Å; F173-P375 WeakPolarHBondContact O-CD 3.27Å; F173-P375 VanDerWaalsContact O-CG 3.31Å; F173-P375 WeakPolarHBondContact O-CG 3.44Å; C347-P375 VanDerWaalsContact CB-O 3.27Å; C347-P375 WeakPolarHBondContact CB-O 3.06Å; P375-S377 PolarHBondContact O-N 3.24Å; P375-C378 WeakPolarHBondContact O-CB 3.48Å; P375-C378 PolarHBondContact O-N 2.81Å; P375-C378 VanDerWaalsContact O-N 3.16Å
376S97.3Very high96.6Very high40 Ų4030.6 Ų30.628%0.2817%0.172SC..THydrogen-bonded Turntrans-55.4138.9175.5-175.70000111.1S349 C378S349-S376 WeakPolarHBondContact O-CB 3.37Å; S349-S376 PolarHBondContact O-OG 2.83Å; S376-C378 PolarHBondContact O-N 2.86Å
377S95Very high96.6Very high99 Ų9929.4 Ų29.469%0.69217%0.167SC*.THydrogen-bonded Turntrans64.511.5-178.9-490000115.3C347 P375C347-S377 WeakPolarHBondContact O-CA 3.36Å; C347-S377 PolarHBondContact O-N 3.16Å; P375-S377 PolarHBondContact O-N 3.24Å
378C97Very high96.8Very high31 Ų3127.2 Ų27.221%0.20916%0.157CC..  trans-94.8151.3170.7-640000111.3F173 E346 C347 I374 P375 S376F173-C378 HydrophobicContact CD1-CB 4Å; F173-C378 HydrophobicContact CE1-CB 4.34Å; E346-C378 WeakPolarHBondContact CA-O 3.39Å; C347-C378 PolarHBondContact N-O 2.95Å; I374-C378 HydrophobicContact CG2-CB 3.79Å; I374-C378 WeakPolarHBondContact CG2-O 3.35Å; P375-C378 WeakPolarHBondContact O-CB 3.48Å; P375-C378 PolarHBondContact O-N 2.81Å; P375-C378 VanDerWaalsContact O-N 3.16Å; S376-C378 PolarHBondContact O-N 2.86Å
379S96.4Very high96.9Very high38 Ų3826.7 Ų26.727%0.26615%0.154SC..EExtended strand (participates in β ladder)trans-125134.6173.5-171.10000109.9Y337 A345Y337-S379 PolarHBondContact OH-OG 2.82Å; A345-S379 WeakPolarHBondContact O-CA 3.5Å
380L97.7Very high96.9Very high6 Ų629.7 Ų29.73%0.03117%0.165CC..EExtended strand (participates in β ladder)trans-125.9136.6179.2176.661000109.8F173 F177 Y344 A345 C372 I374 I382F173-L380 HydrophobicContact CD2-CD1 3.72Å; F173-L380 HydrophobicContact CE2-CD1 3.82Å; F177-L380 HydrophobicContact CD1-CD1 4.01Å; F177-L380 HydrophobicContact CE1-CD1 3.51Å; F177-L380 HydrophobicContact CE1-CD2 4.05Å; F177-L380 HydrophobicContact CE1-CG 4.45Å; F177-L380 HydrophobicContact CZ-CD1 4.1Å; F177-L380 HydrophobicContact CZ-CD2 3.92Å; Y344-L380 WeakPolarHBondContact CA-O 3.41Å; A345-L380 PolarHBondContact N-O 2.88Å; A345-L380 PolarHBondContact O-N 2.78Å; C372-L380 HydrophobicContact CB-CD2 4.17Å; I374-L380 HydrophobicContact CD1-CB 3.71Å; I374-L380 HydrophobicContact CD1-CD2 3.97Å; I374-L380 HydrophobicContact CD1-CG 4.43Å; I374-L380 HydrophobicContact CG1-CB 4.05Å; I374-L380 HydrophobicContact CG1-CD2 3.97Å; L380-I382 HydrophobicContact CB-CG2 4.49Å; L380-I382 HydrophobicContact CD2-CG2 4.34Å; L380-I382 HydrophobicContact CG-CG2 4.2Å; L380-I382 PolarHBondContact O-N 3.22Å
381K97.9Very high96.9Very high52 Ų5229.6 Ų29.623%0.22617%0.165CC..EExtended strand (participates in β ladder)trans-72114.9166.3-175.8168.964.5-174.40109E342 Y344 C360E342-K381 HydrophobicContact CB-CD 4.13Å; E342-K381 VanDerWaalsContact CD-CD 3.47Å; E342-K381 HydrophobicContact CG-CD 4.01Å; E342-K381 WeakPolarHBondContact OE1-CD 3.42Å; E342-K381 IonicContact OE1-NZ 3.27Å; E342-K381 PolarHBondContact OE1-NZ 2.9Å; Y344-K381 HydrophobicContact CD1-CB 3.93Å; Y344-K381 HydrophobicContact CE1-CB 3.65Å; Y344-K381 HydrophobicContact CE1-CD 4.46Å; Y344-K381 HydrophobicContact CE1-CG 4.2Å; C360-K381 PolarHBondContact SG-O 3.22Å
382I98.4Very high96.8Very high1 Ų129.5 Ų29.51%0.00516%0.164CC..EExtended strand (participates in β ladder)trans-103.2-13.4-176.258.8164.1000112.6L336 V343 A345 V355 S357 L380 I412L336-I382 HydrophobicContact CD2-CD1 4.1Å; V343-I382 HydrophobicContact CB-CG1 4.16Å; V343-I382 HydrophobicContact CG1-CD1 3.89Å; V343-I382 HydrophobicContact CG1-CG1 3.89Å; V343-I382 VanDerWaalsContact O-CG1 3.31Å; V343-I382 WeakPolarHBondContact O-CG1 3.47Å; V343-I382 PolarHBondContact O-N 2.81Å; A345-I382 HydrophobicContact CB-CD1 4.01Å; A345-I382 HydrophobicContact CB-CG1 4.4Å; A345-I382 HydrophobicContact CB-CG2 3.91Å; V355-I382 HydrophobicContact CG1-CB 4.5Å; V355-I382 HydrophobicContact CG1-CG2 3.92Å; S357-I382 VanDerWaalsContact CB-O 3.29Å; S357-I382 WeakPolarHBondContact CB-O 3.2Å; S357-I382 PolarHBondContact OG-O 2.84Å; L380-I382 HydrophobicContact CB-CG2 4.49Å; L380-I382 HydrophobicContact CD2-CG2 4.34Å; L380-I382 HydrophobicContact CG-CG2 4.2Å; L380-I382 PolarHBondContact O-N 3.22Å; I382-I412 HydrophobicContact CB-CD1 4.32Å; I382-I412 HydrophobicContact CD1-CD1 3.91Å; I382-I412 HydrophobicContact CD1-CG2 4.33Å; I382-I412 HydrophobicContact CG1-CD1 4.17Å
383F98.5Very high96.7Very high0 Ų031.4 Ų31.40%018%0.18CC..EExtended strand (participates in β ladder)trans-154.8147174.3-160.8-92.7000112.4E342 V343 N359 N385 F388 M409 I412 L440 P443E342-F383 CarbonylContact C-O 3.53Å; E342-F383 WeakPolarHBondContact CA-O 3.36Å; V343-F383 HydrophobicContact CB-CB 3.88Å; V343-F383 HydrophobicContact CG2-CB 4.05Å; V343-F383 PolarHBondContact N-O 3.05Å; V343-F383 PolarHBondContact O-N 3.16Å; V343-F383 VanDerWaalsContact O-N 3.16Å; N359-F383 HydrophobicContact CB-CD2 3.49Å; N359-F383 VanDerWaalsContact CB-CD2 3.49Å; N359-F383 HydrophobicContact CB-CE2 3.75Å; N359-F383 HydrophobicContact CB-CG 4.32Å; N359-F383 VanDerWaalsContact OD1-CA 3.27Å; N359-F383 WeakPolarHBondContact OD1-CA 3.38Å; F383-N385 VanDerWaalsContact CE1-OD1 3.23Å; F383-N385 WeakPolarHBondContact CE1-OD1 3.43Å; F383-F388 HydrophobicContact CE1-CB 3.91Å; F383-F388 HydrophobicContact CE1-CG 4.34Å; F383-F388 HydrophobicContact CE2-CD2 4.45Å; F383-F388 HydrophobicContact CZ-CB 3.62Å; F383-F388 AromaticContact CZ-CD2 3.83Å; F383-F388 HydrophobicContact CZ-CD2 3.83Å; F383-F388 AromaticContact CZ-CG 3.73Å; F383-F388 HydrophobicContact CZ-CG 3.73Å; F383-M409 WeakPolarHBondContact CE2-O 3.38Å; F383-I412 HydrophobicContact CB-CD1 4.19Å; F383-I412 HydrophobicContact CD2-CD1 4.34Å; F383-L440 HydrophobicContact CB-CD1 3.82Å; F383-L440 HydrophobicContact CD1-CD1 3.64Å; F383-L440 HydrophobicContact CD2-CD1 3.34Å; F383-L440 HydrophobicContact CE1-CD1 3.97Å; F383-L440 HydrophobicContact CE2-CD1 3.7Å; F383-L440 HydrophobicContact CG-CD1 3.3Å; F383-L440 HydrophobicContact CZ-CD1 3.99Å; F383-P443 HydrophobicContact CD1-CG 4.48Å; F383-P443 HydrophobicContact CE1-CB 4.32Å; F383-P443 HydrophobicContact CE1-CG 3.49Å; F383-P443 VanDerWaalsContact CE1-CG 3.49Å; F383-P443 HydrophobicContact CZ-CB 3.94Å; F383-P443 HydrophobicContact CZ-CG 3.6Å
384N97.3Very high96.5Very high22 Ų2232.7 Ų32.712%0.11819%0.187CC..EExtended strand (participates in β ladder)trans-134.5116.8171.7-177.9-17.7000111E342 N359 Q386 E387 F388E342-N384 HydrophobicContact CG-CB 4.46Å; N359-N384 PolarHBondContact OD1-N 3.39Å; N384-Q386 VanDerWaalsContact C-N 3.28Å; N384-Q386 PolarHBondContact O-N 2.84Å; N384-Q386 WeakPolarHBondContact OD1-CB 3.47Å; N384-Q386 PolarHBondContact OD1-N 3.09Å; N384-E387 HydrophobicContact CB-CB 4.14Å; N384-E387 PolarHBondContact O-N 2.93Å; N384-F388 PolarHBondContact O-N 2.95Å
385N96.3Very high96.3Very high6 Ų633 Ų333%0.03219%0.189CC..Hα-helixtrans-61.2-32.3179.4-77.1-7.9000113.4L136 Y265 Y338 G341 F383 F388 A389L136-N385 HydrophobicContact CD1-CB 3.87Å; Y265-N385 PolarHBondContact OH-ND2 3.22Å; Y338-N385 PolarHBondContact OH-ND2 3.03Å; G341-N385 VanDerWaalsContact O-CB 3.23Å; G341-N385 WeakPolarHBondContact O-CB 3.16Å; G341-N385 VanDerWaalsContact O-CG 3.26Å; G341-N385 PolarHBondContact O-N 3.22Å; F383-N385 VanDerWaalsContact CE1-OD1 3.23Å; F383-N385 WeakPolarHBondContact CE1-OD1 3.43Å; N385-F388 PolarHBondContact O-N 2.66Å; N385-A389 VanDerWaalsContact O-CB 3.32Å; N385-A389 WeakPolarHBondContact O-CB 3.45Å; N385-A389 PolarHBondContact O-N 3.47Å
386Q95.6Very high96Very high96 Ų9631.5 Ų31.545%0.44918%0.179SC..Hα-helixtrans-68.8-38.8178.6-171.7176.48.600111.5L136 N384 A389 Q390L136-Q386 HydrophobicContact CD2-CB 4.13Å; N384-Q386 VanDerWaalsContact C-N 3.28Å; N384-Q386 PolarHBondContact O-N 2.84Å; N384-Q386 WeakPolarHBondContact OD1-CB 3.47Å; N384-Q386 PolarHBondContact OD1-N 3.09Å; Q386-A389 WeakPolarHBondContact O-CB 3.3Å; Q386-A389 PolarHBondContact O-N 2.69Å; Q386-Q390 WeakPolarHBondContact O-CG 3.4Å; Q386-Q390 PolarHBondContact O-N 3.49Å; Q386-Q390 VanDerWaalsContact O-N 3.15Å
387E95.5Very high95.5Very high21 Ų2134.2 Ų34.210%0.09819%0.19CC..Hα-helixtrans-69.4-42.5175.5-172.3175.584.500111N359 F362 H363 N384 A389 Q390 L391N359-E387 PolarHBondContact ND2-OE1 3.16Å; N359-E387 PolarHBondContact OD1-OE1 3.25Å; F362-E387 HydrophobicContact CD1-CG 4.14Å; F362-E387 HydrophobicContact CE1-CG 4.26Å; H363-E387 WeakPolarHBondContact CB-OE2 3.38Å; H363-E387 IonicContact CE1-OE2 3.74Å; H363-E387 IonicContact CG-OE2 3.56Å; H363-E387 IonicContact ND1-OE2 3.31Å; H363-E387 PolarHBondContact ND1-OE2 2.81Å; N384-E387 HydrophobicContact CB-CB 4.14Å; N384-E387 PolarHBondContact O-N 2.93Å; E387-A389 VanDerWaalsContact C-N 3.32Å; E387-A389 PolarHBondContact O-N 2.76Å; E387-Q390 PolarHBondContact O-N 3.46Å; E387-L391 HydrophobicContact CG-CD1 4.48Å; E387-L391 WeakPolarHBondContact O-CG 3.4Å; E387-L391 PolarHBondContact O-N 2.87Å
388F97.2Very high95.1Very high1 Ų131.5 Ų31.50%0.00417%0.167CC..Hα-helixtrans-59.2-42.2172.7-179.4-99.9000112.2F383 N384 N385 Q390 L391 L392 L406 M409 C410 P443 W446 L447F383-F388 HydrophobicContact CE1-CB 3.91Å; F383-F388 HydrophobicContact CE1-CG 4.34Å; F383-F388 HydrophobicContact CE2-CD2 4.45Å; F383-F388 HydrophobicContact CZ-CB 3.62Å; F383-F388 AromaticContact CZ-CD2 3.83Å; F383-F388 HydrophobicContact CZ-CD2 3.83Å; F383-F388 AromaticContact CZ-CG 3.73Å; F383-F388 HydrophobicContact CZ-CG 3.73Å; N384-F388 PolarHBondContact O-N 2.95Å; N385-F388 PolarHBondContact O-N 2.66Å; F388-Q390 VanDerWaalsContact C-N 3.33Å; F388-Q390 PolarHBondContact O-N 3.03Å; F388-L391 PolarHBondContact O-N 3.3Å; F388-L392 HydrophobicContact CE1-CD2 4.03Å; F388-L392 VanDerWaalsContact O-CB 3.31Å; F388-L392 WeakPolarHBondContact O-CB 3.48Å; F388-L392 PolarHBondContact O-N 2.88Å; F388-L406 HydrophobicContact CE2-CB 4.25Å; F388-M409 HydrophobicContact CD2-CB 4.19Å; F388-M409 HydrophobicContact CE2-CB 4.11Å; F388-C410 VanDerWaalsContact CE2-SG 3.6Å; F388-P443 HydrophobicContact CD1-CB 3.9Å; F388-P443 HydrophobicContact CD1-CG 4.46Å; F388-P443 HydrophobicContact CE1-CB 3.66Å; F388-P443 HydrophobicContact CE2-CB 4.38Å; F388-P443 HydrophobicContact CG-CB 4.35Å; F388-P443 HydrophobicContact CZ-CB 3.92Å; F388-W446 HydrophobicContact CD1-CE3 4.41Å; F388-L447 HydrophobicContact CZ-CB 4.4Å
389A95.8Very high94.7Very high5 Ų530.5 Ų30.54%0.04116%0.162CC..Hα-helixtrans-57.8-44.5176.400000112.2L136 N385 Q386 E387 L392 A393 W446L136-A389 HydrophobicContact CD2-CB 4.33Å; N385-A389 VanDerWaalsContact O-CB 3.32Å; N385-A389 WeakPolarHBondContact O-CB 3.45Å; N385-A389 PolarHBondContact O-N 3.47Å; Q386-A389 WeakPolarHBondContact O-CB 3.3Å; Q386-A389 PolarHBondContact O-N 2.69Å; E387-A389 VanDerWaalsContact C-N 3.32Å; E387-A389 PolarHBondContact O-N 2.76Å; A389-L392 PolarHBondContact O-N 2.84Å; A389-A393 WeakPolarHBondContact O-CB 3.29Å; A389-A393 PolarHBondContact O-N 2.95Å; A389-W446 HydrophobicContact CB-CH2 3.45Å; A389-W446 VanDerWaalsContact CB-CH2 3.45Å; A389-W446 HydrophobicContact CB-CZ3 3.45Å; A389-W446 VanDerWaalsContact CB-CZ3 3.45Å
390Q95.3Very high94.4Very high103 Ų10330.6 Ų30.648%0.48116%0.157SC..Hα-helixtrans-64.4-46.5178.5-70.9168.8-1.200111.2Q386 E387 F388 L392 A393 Q394Q386-Q390 WeakPolarHBondContact O-CG 3.4Å; Q386-Q390 PolarHBondContact O-N 3.49Å; Q386-Q390 VanDerWaalsContact O-N 3.15Å; E387-Q390 PolarHBondContact O-N 3.46Å; F388-Q390 VanDerWaalsContact C-N 3.33Å; F388-Q390 PolarHBondContact O-N 3.03Å; Q390-L392 VanDerWaalsContact C-N 3.34Å; Q390-L392 PolarHBondContact O-N 2.83Å; Q390-A393 PolarHBondContact O-N 3.5Å; Q390-Q394 WeakPolarHBondContact O-CB 3.28Å; Q390-Q394 WeakPolarHBondContact O-CG 3.43Å; Q390-Q394 PolarHBondContact O-N 2.92Å
391L95.4Very high94.1Very high4 Ų434.7 Ų34.72%0.02118%0.176CC..Hα-helixtrans-61.9-41.2176.7-73.3173.5000112.2F362 E387 F388 Q394 S395 L406 M409F362-L391 HydrophobicContact CD1-CD1 3.88Å; F362-L391 HydrophobicContact CD1-CD2 4.46Å; F362-L391 HydrophobicContact CE1-CD1 4.02Å; F362-L391 HydrophobicContact CE1-CD2 3.86Å; F362-L391 HydrophobicContact CE1-CG 4.18Å; F362-L391 HydrophobicContact CE2-CD2 3.98Å; F362-L391 HydrophobicContact CG-CD1 4.22Å; F362-L391 HydrophobicContact CZ-CD1 4.49Å; F362-L391 HydrophobicContact CZ-CD2 3.6Å; F362-L391 HydrophobicContact CZ-CG 4.42Å; E387-L391 HydrophobicContact CG-CD1 4.48Å; E387-L391 WeakPolarHBondContact O-CG 3.4Å; E387-L391 PolarHBondContact O-N 2.87Å; F388-L391 PolarHBondContact O-N 3.3Å; L391-Q394 PolarHBondContact O-N 2.97Å; L391-S395 VanDerWaalsContact O-CB 3.24Å; L391-S395 WeakPolarHBondContact O-CB 3.45Å; L391-S395 PolarHBondContact O-N 3.48Å; L391-S395 PolarHBondContact O-OG 2.6Å; L391-L406 HydrophobicContact CB-CD2 4.42Å; L391-M409 HydrophobicContact CD1-CE 3.46Å; L391-M409 VanDerWaalsContact CD1-CE 3.46Å
392L96.3Very high93.8Very high0 Ų032.5 Ų32.50%017%0.168CC..Hα-helixtrans-63.2-50.6176.3-179.655.4000111.2V139 F388 A389 Q390 Q394 S395 V396 V403 L406 W446 L447 V450V139-L392 HydrophobicContact CG1-CG 4.44Å; V139-L392 HydrophobicContact CG2-CB 4.41Å; V139-L392 HydrophobicContact CG2-CD2 3.96Å; V139-L392 HydrophobicContact CG2-CG 3.9Å; F388-L392 HydrophobicContact CE1-CD2 4.03Å; F388-L392 VanDerWaalsContact O-CB 3.31Å; F388-L392 WeakPolarHBondContact O-CB 3.48Å; F388-L392 PolarHBondContact O-N 2.88Å; A389-L392 PolarHBondContact O-N 2.84Å; Q390-L392 VanDerWaalsContact C-N 3.34Å; Q390-L392 PolarHBondContact O-N 2.83Å; L392-Q394 VanDerWaalsContact C-N 3.29Å; L392-Q394 PolarHBondContact O-N 2.86Å; L392-S395 PolarHBondContact O-N 3.12Å; L392-S395 VanDerWaalsContact O-N 3.17Å; L392-V396 WeakPolarHBondContact O-CG2 3.4Å; L392-V396 PolarHBondContact O-N 2.78Å; L392-V396 VanDerWaalsContact O-N 3.11Å; L392-V403 HydrophobicContact CD1-CG1 3.84Å; L392-L406 HydrophobicContact CB-CD1 4.11Å; L392-L406 HydrophobicContact CD1-CD1 3.84Å; L392-W446 HydrophobicContact CD2-CD2 3.98Å; L392-W446 HydrophobicContact CD2-CE3 4.35Å; L392-W446 HydrophobicContact CD2-CG 4.01Å; L392-L447 HydrophobicContact CD1-CD1 3.54Å; L392-V450 HydrophobicContact CD1-CB 4.37Å; L392-V450 HydrophobicContact CD1-CG1 4.16Å; L392-V450 HydrophobicContact CD1-CG2 4.39Å; L392-V450 HydrophobicContact CD2-CG2 4.07Å; L392-V450 HydrophobicContact CG-CG2 4.36Å
393A94.6Very high93.6Very high42 Ų4232.5 Ų32.535%0.34717%0.168SC..Hα-helixtrans-59.3-38.817800000112.7V139 A389 Q390V139-A393 HydrophobicContact CG2-CB 4.29Å; A389-A393 WeakPolarHBondContact O-CB 3.29Å; A389-A393 PolarHBondContact O-N 2.95Å; Q390-A393 PolarHBondContact O-N 3.5Å
394Q93.2Very high93.3Very high86 Ų8638.8 Ų38.840%0.40219%0.193SC..Hα-helixtrans-69.8-42.9175.6-69.51678.700111.7L153 Q390 L391 L392 V396 N397 H398L153-Q394 HydrophobicContact CD1-CB 3.61Å; L153-Q394 HydrophobicContact CD1-CG 4.29Å; Q390-Q394 WeakPolarHBondContact O-CB 3.28Å; Q390-Q394 WeakPolarHBondContact O-CG 3.43Å; Q390-Q394 PolarHBondContact O-N 2.92Å; L391-Q394 PolarHBondContact O-N 2.97Å; L392-Q394 VanDerWaalsContact C-N 3.29Å; L392-Q394 PolarHBondContact O-N 2.86Å; Q394-V396 VanDerWaalsContact C-N 3.29Å; Q394-V396 PolarHBondContact O-N 2.79Å; Q394-N397 PolarHBondContact O-N 2.86Å; Q394-H398 PolarHBondContact O-CE1 3.44Å; Q394-H398 PolarHBondContact O-ND1 2.65Å
395S93.3Very high93.2Very high8 Ų841.1 Ų41.16%0.05620%0.203CC..Hα-helixtrans-66.9-27.8-176.1-610000113.4L391 L392 N397 H398 V403L391-S395 VanDerWaalsContact O-CB 3.24Å; L391-S395 WeakPolarHBondContact O-CB 3.45Å; L391-S395 PolarHBondContact O-N 3.48Å; L391-S395 PolarHBondContact O-OG 2.6Å; L392-S395 PolarHBondContact O-N 3.12Å; L392-S395 VanDerWaalsContact O-N 3.17Å; S395-N397 PolarHBondContact O-N 2.85Å; S395-H398 WeakPolarHBondContact O-CB 3.44Å; S395-H398 PolarHBondContact O-N 2.85Å; S395-V403 VanDerWaalsContact C-CG2 3.47Å; S395-V403 WeakPolarHBondContact O-CG2 3.4Å
396V92.1Very high93.1Very high0 Ų041.2 Ų41.20%020%0.203CC..Hα-helixtrans-54.7-36.2173.9167.80000112V139 V141 P142 F147 L392 Q394 H398 V403 V450 M454V139-V396 HydrophobicContact CG1-CG2 3.66Å; V141-V396 HydrophobicContact CG1-CG1 4.4Å; P142-V396 VanDerWaalsContact CD-CG1 3.48Å; F147-V396 WeakPolarHBondContact CE1-O 3.41Å; F147-V396 WeakPolarHBondContact CZ-O 3.23Å; L392-V396 WeakPolarHBondContact O-CG2 3.4Å; L392-V396 PolarHBondContact O-N 2.78Å; L392-V396 VanDerWaalsContact O-N 3.11Å; Q394-V396 VanDerWaalsContact C-N 3.29Å; Q394-V396 PolarHBondContact O-N 2.79Å; V396-H398 PolarHBondContact O-N 2.76Å; V396-V403 HydrophobicContact CB-CG2 4.5Å; V396-V403 HydrophobicContact CG2-CG2 4.04Å; V396-V450 HydrophobicContact CG2-CG1 3.51Å; V396-M454 HydrophobicContact CG1-CE 4.43Å; V396-M454 HydrophobicContact CG2-SD 4.31Å; V396-M454 WeakPolarHBondContact O-CE 3.27Å
397N87.6Confident93.2Very high97 Ų9738.8 Ų38.852%0.51920%0.195SC..THydrogen-bonded Turntrans-76.1-6.7178.5-59-50.7000113.6F147 Q394 S395F147-N397 WeakPolarHBondContact CD1-O 3.42Å; Q394-N397 PolarHBondContact O-N 2.86Å; S395-N397 PolarHBondContact O-N 2.85Å
398H86.5Confident93.2Very high42 Ų4242.1 Ų42.119%0.19421%0.209CC..THydrogen-bonded Turntrans-108.75.1-175.9-57.4118.8000113.9H151 S152 Q394 S395 V396 A402H151-H398 VanDerWaalsContact C-CD2 3.44Å; H151-H398 PolarHBondContact O-CD2 3.27Å; H151-H398 PolarHBondContact O-NE2 3.41Å; S152-H398 WeakPolarHBondContact CA-CD2 3.49Å; Q394-H398 PolarHBondContact O-CE1 3.44Å; Q394-H398 PolarHBondContact O-ND1 2.65Å; S395-H398 WeakPolarHBondContact O-CB 3.44Å; S395-H398 PolarHBondContact O-N 2.85Å; V396-H398 PolarHBondContact O-N 2.76Å; H398-A402 HydrophobicContact CB-CB 3.67Å
399G87.7Confident93.1Very high10 Ų1042.2 Ų42.210%0.10321%0.21CC..  trans105.1165.6175.400000114.5F147 E401 A402 V403F147-G399 VanDerWaalsContact CE1-CA 3.48Å; G399-E401 VanDerWaalsContact C-N 3.3Å; G399-E401 PolarHBondContact O-N 2.9Å; G399-A402 PolarHBondContact O-N 3.47Å; G399-V403 PolarHBondContact O-N 2.97Å
400F90.2Very high93.2Very high40 Ų4042 Ų4218%0.17521%0.208CC..Hα-helixtrans-54.6-44.6178.4-178.1-82.7000112.2A402 V403 Y404 L451 M454 G455 P457F400-A402 VanDerWaalsContact C-N 3.34Å; F400-A402 PolarHBondContact O-N 3.15Å; F400-V403 PolarHBondContact O-N 2.95Å; F400-Y404 HydrophobicContact CE1-CD2 4.14Å; F400-Y404 HydrophobicContact CE1-CG 4.28Å; F400-Y404 HydrophobicContact CZ-CD2 4.42Å; F400-Y404 WeakPolarHBondContact O-CB 3.22Å; F400-Y404 PolarHBondContact O-N 2.96Å; F400-L451 HydrophobicContact CD2-CD2 3.96Å; F400-L451 HydrophobicContact CE1-CD2 4.43Å; F400-L451 HydrophobicContact CE2-CB 4.43Å; F400-L451 HydrophobicContact CE2-CD2 3.72Å; F400-L451 HydrophobicContact CG-CD2 4.42Å; F400-L451 HydrophobicContact CZ-CD2 3.97Å; F400-M454 HydrophobicContact CD2-CB 4.17Å; F400-G455 WeakPolarHBondContact CD2-O 3.26Å; F400-G455 WeakPolarHBondContact CE2-O 3.38Å; F400-P457 HydrophobicContact CD1-CB 4.36Å; F400-P457 HydrophobicContact CD1-CG 3.66Å; F400-P457 HydrophobicContact CE1-CG 3.64Å; F400-P457 HydrophobicContact CG-CG 4.45Å; F400-P457 HydrophobicContact CZ-CG 4.4Å
401E91Very high93.4Very high92 Ų9238.4 Ų38.443%0.4319%0.193SC..Hα-helixtrans-61.9-40.3-178.5-67.2-176177.500112.5G399 V403 Y404 E405G399-E401 VanDerWaalsContact C-N 3.3Å; G399-E401 PolarHBondContact O-N 2.9Å; E401-V403 PolarHBondContact O-N 3.37Å; E401-Y404 PolarHBondContact O-N 2.97Å; E401-E405 WeakPolarHBondContact O-CB 3.42Å; E401-E405 WeakPolarHBondContact O-CG 3.27Å; E401-E405 PolarHBondContact O-N 2.83Å
402A91.8Very high93.5Very high7 Ų738.2 Ų38.26%0.05819%0.192CC..Hα-helixtrans-64.6-41.5178.800000111.4L154 H398 G399 F400L154-A402 HydrophobicContact CD1-CB 4.4Å; L154-A402 HydrophobicContact CG-CB 4.39Å; H398-A402 HydrophobicContact CB-CB 3.67Å; G399-A402 PolarHBondContact O-N 3.47Å; F400-A402 VanDerWaalsContact C-N 3.34Å; F400-A402 PolarHBondContact O-N 3.15Å
403V93.8Very high93.7Very high0 Ų042.3 Ų42.30%021%0.208CC..Hα-helixtrans-67.7-46174.2178.80000110.5L392 S395 V396 G399 F400 E401 E405 L406 L447 V450 L451 M454L392-V403 HydrophobicContact CD1-CG1 3.84Å; S395-V403 VanDerWaalsContact C-CG2 3.47Å; S395-V403 WeakPolarHBondContact O-CG2 3.4Å; V396-V403 HydrophobicContact CB-CG2 4.5Å; V396-V403 HydrophobicContact CG2-CG2 4.04Å; G399-V403 PolarHBondContact O-N 2.97Å; F400-V403 PolarHBondContact O-N 2.95Å; E401-V403 PolarHBondContact O-N 3.37Å; V403-E405 VanDerWaalsContact C-N 3.27Å; V403-E405 PolarHBondContact O-N 3.14Å; V403-L406 VanDerWaalsContact O-CB 3.24Å; V403-L406 WeakPolarHBondContact O-CB 3.45Å; V403-L406 PolarHBondContact O-N 2.95Å; V403-L447 HydrophobicContact CG1-CD1 3.46Å; V403-L447 VanDerWaalsContact CG1-CD1 3.46Å; V403-L447 WeakPolarHBondContact O-CD1 3.29Å; V403-V450 HydrophobicContact CG1-CG1 4.03Å; V403-L451 HydrophobicContact CB-CD2 3.9Å; V403-L451 HydrophobicContact CG1-CD2 3.55Å; V403-L451 HydrophobicContact CG1-CG 3.8Å; V403-M454 HydrophobicContact CB-SD 3.91Å; V403-M454 HydrophobicContact CG1-SD 4.17Å; V403-M454 HydrophobicContact CG2-CE 3.97Å; V403-M454 HydrophobicContact CG2-SD 3.51Å; V403-M454 VanDerWaalsContact CG2-SD 3.51Å
404Y93.6Very high93.9Very high132 Ų13240.3 Ų40.352%0.51819%0.191SC..Hα-helixtrans-58.7-38.6-179.7-174.4-96.5000112.5F400 E401 L406 T407 L451F400-Y404 HydrophobicContact CE1-CD2 4.14Å; F400-Y404 HydrophobicContact CE1-CG 4.28Å; F400-Y404 HydrophobicContact CZ-CD2 4.42Å; F400-Y404 WeakPolarHBondContact O-CB 3.22Å; F400-Y404 PolarHBondContact O-N 2.96Å; E401-Y404 PolarHBondContact O-N 2.97Å; Y404-L406 PolarHBondContact O-N 2.94Å; Y404-T407 WeakPolarHBondContact O-CB 3.21Å; Y404-T407 PolarHBondContact O-N 3.09Å; Y404-T407 PolarHBondContact O-OG1 2.87Å; Y404-L451 HydrophobicContact CD2-CD1 4.16Å
405E93.6Very high94.1Very high72 Ų7236.2 Ų36.234%0.33617%0.172SC..Hα-helixtrans-61-26.2175.4-82.3-67.8127.300113.6E401 V403 T407 K408E401-E405 WeakPolarHBondContact O-CB 3.42Å; E401-E405 WeakPolarHBondContact O-CG 3.27Å; E401-E405 PolarHBondContact O-N 2.83Å; V403-E405 VanDerWaalsContact C-N 3.27Å; V403-E405 PolarHBondContact O-N 3.14Å; E405-T407 PolarHBondContact O-N 2.88Å; E405-T407 VanDerWaalsContact O-N 3.12Å; E405-K408 WeakPolarHBondContact O-CB 3.41Å; E405-K408 PolarHBondContact O-N 3.45Å; E405-K408 WeakPolarHBondContact OE1-CE 3.18Å; E405-K408 IonicContact OE1-NZ 3.47Å; E405-K408 PolarHBondContact OE1-NZ 2.63Å; E405-K408 WeakPolarHBondContact OE2-CD 3.48Å; E405-K408 WeakPolarHBondContact OE2-CE 3.37Å; E405-K408 IonicContact OE2-NZ 2.72Å; E405-K408 PolarHBondContact OE2-NZ 3.28Å
406L95.7Very high94.4Very high7 Ų735.9 Ų35.94%0.03717%0.17CC..G310 helixtrans-64.2-13.9174-63.8176.9000113F388 L391 L392 V403 Y404 K408 M409 L447F388-L406 HydrophobicContact CE2-CB 4.25Å; L391-L406 HydrophobicContact CB-CD2 4.42Å; L392-L406 HydrophobicContact CB-CD1 4.11Å; L392-L406 HydrophobicContact CD1-CD1 3.84Å; V403-L406 VanDerWaalsContact O-CB 3.24Å; V403-L406 WeakPolarHBondContact O-CB 3.45Å; V403-L406 PolarHBondContact O-N 2.95Å; Y404-L406 PolarHBondContact O-N 2.94Å; L406-K408 PolarHBondContact O-N 3.25Å; L406-K408 VanDerWaalsContact O-N 3.15Å; L406-M409 HydrophobicContact CD2-CG 3.88Å; L406-M409 WeakPolarHBondContact O-CA 3.17Å; L406-M409 VanDerWaalsContact O-CB 3.23Å; L406-M409 WeakPolarHBondContact O-CB 3.27Å; L406-M409 PolarHBondContact O-N 2.84Å; L406-L447 HydrophobicContact CB-CD1 3.97Å; L406-L447 HydrophobicContact CB-CD2 4.34Å; L406-L447 HydrophobicContact CD1-CD1 4.41Å
407T96.4Very high94.7Very high46 Ų4637.2 Ų37.228%0.28218%0.178SC..G310 helixtrans-52.8-36.8169.5-54.70000110.7Y404 E405 M409 C410 L444 L447Y404-T407 WeakPolarHBondContact O-CB 3.21Å; Y404-T407 PolarHBondContact O-N 3.09Å; Y404-T407 PolarHBondContact O-OG1 2.87Å; E405-T407 PolarHBondContact O-N 2.88Å; E405-T407 VanDerWaalsContact O-N 3.12Å; T407-M409 PolarHBondContact O-N 3.03Å; T407-C410 PolarHBondContact O-N 2.64Å; T407-C410 VanDerWaalsContact O-N 3.13Å; T407-L444 HydrophobicContact CG2-CD2 4.13Å; T407-L447 VanDerWaalsContact N-CD2 3.34Å; T407-L447 WeakPolarHBondContact OG1-CD2 3.42Å
408K96.3Very high95.2Very high90 Ų9036.3 Ų36.339%0.39117%0.169SC..G310 helixtrans-68.8-20.5178.2-58.9177.6-173.5160.10113R358 E405 L406 C410R358-K408 WeakPolarHBondContact CD-O 3.26Å; E405-K408 WeakPolarHBondContact O-CB 3.41Å; E405-K408 PolarHBondContact O-N 3.45Å; E405-K408 WeakPolarHBondContact OE1-CE 3.18Å; E405-K408 IonicContact OE1-NZ 3.47Å; E405-K408 PolarHBondContact OE1-NZ 2.63Å; E405-K408 WeakPolarHBondContact OE2-CD 3.48Å; E405-K408 WeakPolarHBondContact OE2-CE 3.37Å; E405-K408 IonicContact OE2-NZ 2.72Å; E405-K408 PolarHBondContact OE2-NZ 3.28Å; L406-K408 PolarHBondContact O-N 3.25Å; L406-K408 VanDerWaalsContact O-N 3.15Å; K408-C410 VanDerWaalsContact C-N 3.33Å
409M95.8Very high95.6Very high4 Ų434.5 Ų34.52%0.0216%0.161CC..G310 helixtrans-73.2-29.7173.7-63-78.2-71.600111.5R358 N359 F383 F388 L391 L406 T407 T411R358-M409 HydrophobicContact CB-CG 4.4Å; R358-M409 HydrophobicContact CB-SD 3.27Å; R358-M409 WeakPolarHBondContact CB-SD 3.3Å; R358-M409 HydrophobicContact CG-SD 4.44Å; N359-M409 VanDerWaalsContact CA-CE 3.47Å; N359-M409 HydrophobicContact CB-CE 3.82Å; F383-M409 WeakPolarHBondContact CE2-O 3.38Å; F388-M409 HydrophobicContact CD2-CB 4.19Å; F388-M409 HydrophobicContact CE2-CB 4.11Å; L391-M409 HydrophobicContact CD1-CE 3.46Å; L391-M409 VanDerWaalsContact CD1-CE 3.46Å; L406-M409 HydrophobicContact CD2-CG 3.88Å; L406-M409 WeakPolarHBondContact O-CA 3.17Å; L406-M409 VanDerWaalsContact O-CB 3.23Å; L406-M409 WeakPolarHBondContact O-CB 3.27Å; L406-M409 PolarHBondContact O-N 2.84Å; T407-M409 PolarHBondContact O-N 3.03Å; M409-T411 PolarHBondContact O-N 3.15Å
410C98Very high96.1Very high0 Ų034.3 Ų34.30%016%0.158CC..SBendtrans-81.1-3.4-177.6-51.20000113.7F388 T407 K408 L440 P443 L444F388-C410 VanDerWaalsContact CE2-SG 3.6Å; T407-C410 PolarHBondContact O-N 2.64Å; T407-C410 VanDerWaalsContact O-N 3.13Å; K408-C410 VanDerWaalsContact C-N 3.33Å; C410-L440 PolarHBondContact O-N 3.31Å; C410-P443 HydrophobicContact CB-CB 4.3Å; C410-P443 VanDerWaalsContact SG-CB 3.58Å; C410-L444 HydrophobicContact CB-CD1 4.42Å; C410-L444 HydrophobicContact CB-CD2 3.57Å; C410-L444 HydrophobicContact CB-CG 3.58Å
411T98.3Very high96.3Very high27 Ų2732.5 Ų32.517%0.16615%0.15CC..EExtended strand (participates in β ladder)trans-112.7124.4177.3-59.90000110.2M409 E437 I438 H439M409-T411 PolarHBondContact O-N 3.15Å; T411-E437 HydrophobicContact CG2-CG 3.44Å; T411-E437 VanDerWaalsContact CG2-CG 3.44Å; T411-I438 WeakPolarHBondContact CA-O 3.34Å; T411-H439 PolarHBondContact OG1-CD2 3.3Å
412I98.7Very high96Very high0 Ų030.1 Ų30.10%015%0.146CC..EExtended strand (participates in β ladder)trans-116.2132.3177.6-59.5173.9000108.6V355 I382 F383 I438 L440V355-I412 HydrophobicContact CG1-CG2 3.7Å; I382-I412 HydrophobicContact CB-CD1 4.32Å; I382-I412 HydrophobicContact CD1-CD1 3.91Å; I382-I412 HydrophobicContact CD1-CG2 4.33Å; I382-I412 HydrophobicContact CG1-CD1 4.17Å; F383-I412 HydrophobicContact CB-CD1 4.19Å; F383-I412 HydrophobicContact CD2-CD1 4.34Å; I412-I438 HydrophobicContact CB-CB 4.32Å; I412-I438 HydrophobicContact CG2-CD1 4.45Å; I412-I438 PolarHBondContact N-O 3Å; I412-I438 PolarHBondContact O-N 3.29Å; I412-L440 HydrophobicContact CD1-CD1 4.09Å
413R98.7Very high95.7Very high87 Ų8735.1 Ų35.133%0.32817%0.168SC..EExtended strand (participates in β ladder)trans-109.4138.1176.9-62-173.1-178.9146.7-5110.6V355 Q356 W435 I436 E437V355-R413 WeakPolarHBondContact CA-O 3.35Å; Q356-R413 PolarHBondContact N-O 2.88Å; Q356-R413 PolarHBondContact O-N 3.01Å; Q356-R413 VanDerWaalsContact O-N 3.09Å; R413-W435 HydrophobicContact CG-CZ3 4.2Å; R413-I436 WeakPolarHBondContact CA-O 3.11Å; R413-E437 HydrophobicContact CG-CG 4.25Å; R413-E437 IonicContact CZ-OE2 2.93Å; R413-E437 IonicContact NE-OE2 3.85Å; R413-E437 PolarHBondContact NE-OE2 2.65Å; R413-E437 IonicContact NH2-OE2 2.75Å; R413-E437 PolarHBondContact NH2-OE2 2.73Å
414M98.8Very high95.6Very high0 Ų038 Ų380%018%0.18CC..EExtended strand (participates in β ladder)trans-139.8124.5-179179.5-172.2-63.300111.9V334 L336 A345 I353 F354 V355 W435 I436V334-M414 HydrophobicContact CB-SD 3.99Å; V334-M414 HydrophobicContact CG1-SD 3.76Å; V334-M414 HydrophobicContact CG2-CE 3.95Å; V334-M414 HydrophobicContact CG2-SD 3.83Å; L336-M414 HydrophobicContact CD2-CE 4.07Å; A345-M414 HydrophobicContact CB-CE 3.61Å; I353-M414 HydrophobicContact CB-CG 4.23Å; I353-M414 HydrophobicContact CB-SD 4.29Å; I353-M414 HydrophobicContact CD1-CE 4.1Å; I353-M414 HydrophobicContact CD1-SD 3.81Å; I353-M414 HydrophobicContact CG1-SD 4.47Å; F354-M414 CarbonylContact O-C 3.56Å; F354-M414 WeakPolarHBondContact O-CA 3.45Å; V355-M414 HydrophobicContact CG2-CB 4.31Å; V355-M414 HydrophobicContact CG2-CE 3.51Å; V355-M414 HydrophobicContact CG2-CG 3.91Å; V355-M414 HydrophobicContact CG2-SD 4.37Å; M414-W435 CarbonylContact O-C 3.59Å; M414-W435 WeakPolarHBondContact O-CA 3.28Å; M414-W435 VanDerWaalsContact O-CB 3.26Å; M414-W435 WeakPolarHBondContact O-CB 3.28Å; M414-I436 HydrophobicContact CB-CD1 4.41Å; M414-I436 HydrophobicContact CB-CG1 3.91Å; M414-I436 PolarHBondContact N-O 3.04Å; M414-I436 PolarHBondContact O-N 3.21Å; M414-I436 HydrophobicContact SD-CD1 4.23Å
415S98.8Very high95.6Very high0 Ų040.2 Ų40.20%019%0.194CC..EExtended strand (participates in β ladder)trans-99.8144.7173.7176.50000111.3I353 F354 K418 W420 T432 C434I353-S415 WeakPolarHBondContact CA-O 3.34Å; F354-S415 PolarHBondContact N-O 3.06Å; F354-S415 PolarHBondContact O-N 3.43Å; S415-K418 WeakPolarHBondContact CB-O 3.33Å; S415-K418 PolarHBondContact OG-O 3.44Å; S415-W420 VanDerWaalsContact CB-CZ3 3.45Å; S415-T432 WeakPolarHBondContact OG-CB 3.36Å; S415-T432 PolarHBondContact OG-OG1 3.36Å; S415-C434 PolarHBondContact OG-O 2.77Å
416F98.8Very high95.7Very high1 Ų139.9 Ų39.90%0.00419%0.19CC..EExtended strand (participates in β ladder)trans-95135.9173.2-61.2-85.3000110.6V296 L311 I330 V334 I353 K418 C434 I436V296-F416 HydrophobicContact CG1-CZ 3.99Å; L311-F416 HydrophobicContact CD1-CD2 4.43Å; L311-F416 HydrophobicContact CD1-CE2 3.77Å; L311-F416 HydrophobicContact CD1-CZ 4.09Å; I330-F416 HydrophobicContact CD1-CB 4.42Å; I330-F416 HydrophobicContact CD1-CD2 4.35Å; I330-F416 HydrophobicContact CD1-CG 4.3Å; I330-F416 HydrophobicContact CG1-CB 3.93Å; I330-F416 HydrophobicContact CG1-CD1 4.41Å; I330-F416 HydrophobicContact CG1-CG 4.09Å; I330-F416 HydrophobicContact CG2-CD1 3.96Å; I330-F416 HydrophobicContact CG2-CE1 4.14Å; I330-F416 HydrophobicContact CG2-CG 4.41Å; V334-F416 HydrophobicContact CB-CE1 4.32Å; V334-F416 HydrophobicContact CG1-CE1 3.86Å; V334-F416 HydrophobicContact CG1-CZ 4Å; I353-F416 HydrophobicContact CG2-CD1 3.88Å; I353-F416 HydrophobicContact CG2-CE1 4.34Å; F416-K418 PolarHBondContact O-N 3.17Å; F416-C434 HydrophobicContact CB-CB 4.44Å; F416-C434 HydrophobicContact CD2-CB 4.41Å; F416-C434 PolarHBondContact N-O 3.45Å; F416-I436 HydrophobicContact CE2-CD1 4.4Å; F416-I436 HydrophobicContact CE2-CG1 4.14Å; F416-I436 HydrophobicContact CE2-CG2 3.95Å; F416-I436 HydrophobicContact CZ-CD1 4.14Å; F416-I436 HydrophobicContact CZ-CG1 4.37Å
417V98.3Very high95.7Very high28 Ų2843.8 Ų43.817%0.1721%0.208CC..SBendtrans68-40.7170.8-169.20000114.8T326 H329 S352T326-V417 HydrophobicContact CG2-CB 3.94Å; T326-V417 HydrophobicContact CG2-CG2 3.98Å; H329-V417 HydrophobicContact CB-CG1 4.24Å; H329-V417 HydrophobicContact CB-CG2 3.7Å; S352-V417 WeakPolarHBondContact O-CA 3.36Å; S352-V417 PolarHBondContact O-N 3.43Å
418K97.8Very high95.6Very high78 Ų7845.2 Ų45.234%0.33921%0.214SC..  trans-112.9123.5-174.8-56.2-56.8-177.2-175.40111F354 S415 F416 P433F354-K418 VanDerWaalsContact CD2-C 3.44Å; F354-K418 WeakPolarHBondContact CD2-O 3.28Å; F354-K418 VanDerWaalsContact CE2-C 3.43Å; S415-K418 WeakPolarHBondContact CB-O 3.33Å; S415-K418 PolarHBondContact OG-O 3.44Å; F416-K418 PolarHBondContact O-N 3.17Å; K418-P433 HydrophobicContact CG-CG 4.07Å
419G96.7Very high95.7Very high3 Ų341.1 Ų41.13%0.03120%0.197CC..  trans-77.3162.8172.900000113.2F354F354-G419 VanDerWaalsContact CD1-CA 3.49Å; F354-G419 VanDerWaalsContact CG-CA 3.45Å
420W97.7Very high95.8Very high7 Ų743.4 Ų43.43%0.02721%0.211CC..  trans-140.8167.2169.581.598.4000109.4F354 Q356 V371 S415 Y424 R426 V429 T432F354-W420 HydrophobicContact CB-CE3 4.04Å; F354-W420 HydrophobicContact CB-CZ3 3.61Å; F354-W420 VanDerWaalsContact O-CZ3 3.28Å; F354-W420 WeakPolarHBondContact O-CZ3 3.49Å; Q356-W420 HydrophobicContact CB-CH2 4.1Å; Q356-W420 HydrophobicContact CB-CZ2 3.6Å; V371-W420 WeakPolarHBondContact CB-O 3.48Å; V371-W420 HydrophobicContact CG1-CD2 4.1Å; V371-W420 HydrophobicContact CG1-CE3 3.92Å; V371-W420 HydrophobicContact CG1-CH2 3.89Å; V371-W420 HydrophobicContact CG1-CZ2 4.08Å; V371-W420 HydrophobicContact CG1-CZ3 3.81Å; V371-W420 HydrophobicContact CG2-CD2 3.9Å; V371-W420 VanDerWaalsContact CG2-CE2 3.41Å; V371-W420 HydrophobicContact CG2-CG 4.26Å; V371-W420 HydrophobicContact CG2-CH2 4.37Å; V371-W420 HydrophobicContact CG2-CZ2 3.71Å; V371-W420 WeakPolarHBondContact CG2-O 3.36Å; S415-W420 VanDerWaalsContact CB-CZ3 3.45Å; W420-Y424 VanDerWaalsContact O-CD2 3.29Å; W420-Y424 WeakPolarHBondContact O-CD2 3.44Å; W420-R426 CarbonylContact C-O 3.59Å; W420-R426 WeakPolarHBondContact CA-O 3.41Å; W420-R426 HydrophobicContact CB-CB 3.89Å; W420-R426 WeakPolarHBondContact CB-O 3.36Å; W420-V429 HydrophobicContact CD2-CB 4.13Å; W420-V429 HydrophobicContact CD2-CG2 4.18Å; W420-V429 HydrophobicContact CE3-CG2 4.28Å; W420-V429 HydrophobicContact CG-CB 4.43Å; W420-V429 HydrophobicContact CH2-CG2 4.1Å; W420-V429 HydrophobicContact CZ2-CB 4.11Å; W420-V429 HydrophobicContact CZ2-CG2 3.96Å; W420-V429 HydrophobicContact CZ3-CG2 4.25Å; W420-T432 HydrophobicContact CB-CG2 3.88Å; W420-T432 HydrophobicContact CD2-CG2 4.36Å; W420-T432 HydrophobicContact CE3-CG2 4.04Å; W420-T432 HydrophobicContact CG-CG2 4.33Å
421G93.5Very high95.8Very high2 Ų246 Ų462%0.02123%0.228CC..SBendtrans107.9-171-17600000112.2E423 Y424 R426G421-E423 PolarHBondContact O-N 3.19Å; G421-Y424 PolarHBondContact O-N 3.04Å; G421-R426 PolarHBondContact N-O 2.89Å
422A85.8Confident95.8Very high41 Ų4144.7 Ų44.734%0.33922%0.221SC..THydrogen-bonded Turntrans-54.7-35.1-163.600000115M167 P168M167-A422 HydrophobicContact CB-CB 3.88Å; M167-A422 HydrophobicContact CG-CB 3.67Å; M167-A422 VanDerWaalsContact CG-N 3.31Å; P168-A422 WeakPolarHBondContact O-CB 3.29Å
423E85.5Confident95.8Very high113 Ų11344.8 Ų44.853%0.52822%0.222SC..THydrogen-bonded Turntrans-91.6-2.9-175.8-55178.6167.600114N170 G421N170-E423 HydrophobicContact CB-CG 4.27Å; N170-E423 PolarHBondContact ND2-N 3.01Å; G421-E423 PolarHBondContact O-N 3.19Å
424Y91.7Very high95.8Very high60 Ų6040.7 Ų40.724%0.23521%0.206CC..SBendtrans-112153-179.3-62.7-76000110.2N170 F354 W420 G421 R426 Q427N170-Y424 HydrophobicContact CB-CE2 4.5Å; N170-Y424 WeakPolarHBondContact ND2-CD2 3.16Å; N170-Y424 VanDerWaalsContact ND2-CE2 3.27Å; N170-Y424 WeakPolarHBondContact ND2-CE2 3.32Å; F354-Y424 HydrophobicContact CD1-CE2 4.36Å; F354-Y424 HydrophobicContact CE1-CE1 4.24Å; F354-Y424 HydrophobicContact CE1-CE2 4.19Å; F354-Y424 AromaticContact CE1-CZ 3.66Å; F354-Y424 WeakPolarHBondContact CE1-OH 3.36Å; W420-Y424 VanDerWaalsContact O-CD2 3.29Å; W420-Y424 WeakPolarHBondContact O-CD2 3.44Å; G421-Y424 PolarHBondContact O-N 3.04Å; Y424-R426 PolarHBondContact O-N 2.75Å; Y424-R426 VanDerWaalsContact O-N 3.15Å; Y424-Q427 PolarHBondContact O-NE2 3.32Å
425H93.6Very high95.8Very high179 Ų17941.1 Ų41.183%0.82921%0.208SC*.SBendtrans-57.8-29.1172.8-178.966.6000112.7
426R95.7Very high95.8Very high65 Ų6541.1 Ų41.125%0.24521%0.208CC..  trans-85.6118.4178-65.5173-178.275.310.4109.3W420 G421 Y424 S431W420-R426 CarbonylContact C-O 3.59Å; W420-R426 WeakPolarHBondContact CA-O 3.41Å; W420-R426 HydrophobicContact CB-CB 3.89Å; W420-R426 WeakPolarHBondContact CB-O 3.36Å; G421-R426 PolarHBondContact N-O 2.89Å; Y424-R426 PolarHBondContact O-N 2.75Å; Y424-R426 VanDerWaalsContact O-N 3.15Å; R426-S431 WeakPolarHBondContact CD-O 3.39Å; R426-S431 PolarHBondContact NE-O 3.06Å
427Q94.4Very high95.8Very high88 Ų8842 Ų4241%0.41121%0.212SC..  trans-90-28.2178.7-62.1-54.6-45.400112.6M167 Y424M167-Q427 HydrophobicContact CE-CB 3.82Å; M167-Q427 HydrophobicContact CE-CG 4.47Å; M167-Q427 WeakPolarHBondContact CE-O 3.12Å; M167-Q427 VanDerWaalsContact CE-OE1 3.27Å; Y424-Q427 PolarHBondContact O-NE2 3.32Å
428D95.3Very high95.8Very high77 Ų7740.8 Ų40.841%0.41220%0.204SC..SBendtrans-115.5147.9179.6-165.1-82.6000111.7T430 S431D428-T430 PolarHBondContact O-N 3.38Å; D428-T430 VanDerWaalsContact OD1-CB 3.27Å; D428-T430 WeakPolarHBondContact OD1-CB 3.32Å; D428-T430 VanDerWaalsContact OD1-CG2 3.31Å; D428-T430 WeakPolarHBondContact OD1-CG2 3.43Å; D428-T430 PolarHBondContact OD1-N 2.93Å; D428-T430 PolarHBondContact OD1-OG1 2.75Å; D428-S431 VanDerWaalsContact O-CB 3.28Å; D428-S431 WeakPolarHBondContact O-CB 3.35Å; D428-S431 PolarHBondContact O-N 3.38Å
429V97.4Very high95.8Very high4 Ų439.3 Ų39.32%0.02420%0.199CC..G310 helixtrans-60.9-31.6177.270.40000111.8W420 S431 T432 W435W420-V429 HydrophobicContact CD2-CB 4.13Å; W420-V429 HydrophobicContact CD2-CG2 4.18Å; W420-V429 HydrophobicContact CE3-CG2 4.28Å; W420-V429 HydrophobicContact CG-CB 4.43Å; W420-V429 HydrophobicContact CH2-CG2 4.1Å; W420-V429 HydrophobicContact CZ2-CB 4.11Å; W420-V429 HydrophobicContact CZ2-CG2 3.96Å; W420-V429 HydrophobicContact CZ3-CG2 4.25Å; V429-S431 PolarHBondContact O-N 2.9Å; V429-S431 VanDerWaalsContact O-N 3.15Å; V429-T432 VanDerWaalsContact O-CB 3.28Å; V429-T432 WeakPolarHBondContact O-CB 3.18Å; V429-T432 WeakPolarHBondContact O-CG2 3.31Å; V429-T432 PolarHBondContact O-N 2.68Å; V429-T432 PolarHBondContact O-OG1 3.26Å; V429-W435 HydrophobicContact CG1-CD2 4.44Å; V429-W435 HydrophobicContact CG1-CE3 4.34Å; V429-W435 HydrophobicContact CG1-CH2 4.15Å; V429-W435 HydrophobicContact CG1-CZ2 4.23Å; V429-W435 HydrophobicContact CG1-CZ3 4.19Å; V429-W435 HydrophobicContact CG2-CB 4.11Å; V429-W435 HydrophobicContact CG2-CD2 3.61Å; V429-W435 HydrophobicContact CG2-CE3 3.7Å; V429-W435 HydrophobicContact CG2-CG 3.81Å; V429-W435 HydrophobicContact CG2-CZ3 4.36Å
430T98.1Very high95.9Very high52 Ų5239.3 Ų39.332%0.31920%0.198SC..G310 helixtrans-67.4-10.2175.461.10000113.4L279 N280 D428 T432 W435L279-T430 CarbonylContact C-O 3.55Å; L279-T430 WeakPolarHBondContact CA-O 3.25Å; L279-T430 WeakPolarHBondContact CB-O 3.29Å; N280-T430 HydrophobicContact CB-CG2 4.26Å; D428-T430 PolarHBondContact O-N 3.38Å; D428-T430 VanDerWaalsContact OD1-CB 3.27Å; D428-T430 WeakPolarHBondContact OD1-CB 3.32Å; D428-T430 VanDerWaalsContact OD1-CG2 3.31Å; D428-T430 WeakPolarHBondContact OD1-CG2 3.43Å; D428-T430 PolarHBondContact OD1-N 2.93Å; D428-T430 PolarHBondContact OD1-OG1 2.75Å; T430-T432 VanDerWaalsContact C-N 3.33Å; T430-W435 HydrophobicContact CG2-CZ2 4.13Å
431S97.8Very high95.9Very high53 Ų5341.2 Ų41.237%0.37121%0.207SC..G310 helixtrans-86.9-6.2169.3-56.60000112.7R426 D428 V429R426-S431 WeakPolarHBondContact CD-O 3.39Å; R426-S431 PolarHBondContact NE-O 3.06Å; D428-S431 VanDerWaalsContact O-CB 3.28Å; D428-S431 WeakPolarHBondContact O-CB 3.35Å; D428-S431 PolarHBondContact O-N 3.38Å; V429-S431 PolarHBondContact O-N 2.9Å; V429-S431 VanDerWaalsContact O-N 3.15Å
432T98.3Very high96.1Very high0 Ų041.2 Ų41.20%021%0.207CC..SBendtrans-83.2138.8177.872.20000110.7L279 S415 W420 V429 T430 C434 W435L279-T432 WeakPolarHBondContact CA-O 3.04Å; L279-T432 PolarHBondContact N-O 3.37Å; S415-T432 WeakPolarHBondContact OG-CB 3.36Å; S415-T432 PolarHBondContact OG-OG1 3.36Å; W420-T432 HydrophobicContact CB-CG2 3.88Å; W420-T432 HydrophobicContact CD2-CG2 4.36Å; W420-T432 HydrophobicContact CE3-CG2 4.04Å; W420-T432 HydrophobicContact CG-CG2 4.33Å; V429-T432 VanDerWaalsContact O-CB 3.28Å; V429-T432 WeakPolarHBondContact O-CB 3.18Å; V429-T432 WeakPolarHBondContact O-CG2 3.31Å; V429-T432 PolarHBondContact O-N 2.68Å; V429-T432 PolarHBondContact O-OG1 3.26Å; T430-T432 VanDerWaalsContact C-N 3.33Å; T432-C434 VanDerWaalsContact C-N 3.31Å; T432-C434 PolarHBondContact O-N 2.96Å; T432-W435 WeakPolarHBondContact OG1-CB 3.43Å
433P98.5Very high96.6Very high3 Ų339.4 Ų39.42%0.01919%0.192CC..SBendtrans-68.2-29.9-173.5-20.133000113.9E278 T322 I323 T326 K418E278-P433 VanDerWaalsContact CA-O 3.31Å; E278-P433 WeakPolarHBondContact CA-O 3.4Å; T322-P433 HydrophobicContact CG2-CB 4.43Å; T322-P433 HydrophobicContact CG2-CG 3.84Å; I323-P433 HydrophobicContact CB-CB 4.35Å; I323-P433 HydrophobicContact CG1-CB 3.85Å; T326-P433 HydrophobicContact CG2-CB 4.1Å; T326-P433 HydrophobicContact CG2-CG 4.43Å; K418-P433 HydrophobicContact CG-CG 4.07Å
434C98.8Very high97.2Very high0 Ų036.2 Ų36.20%018%0.178CC..SBendtrans-146.3115.8-176.2-58.90000109.6Y276 T326 R327 I330 S415 F416 T432Y276-C434 HydrophobicContact CE2-CB 4.03Å; Y276-C434 PolarHBondContact OH-SG 2.91Å; Y276-C434 VanDerWaalsContact OH-SG 3.39Å; T326-C434 HydrophobicContact CG2-CB 3.98Å; R327-C434 VanDerWaalsContact CG-SG 3.55Å; I330-C434 HydrophobicContact CD1-CB 4.22Å; S415-C434 PolarHBondContact OG-O 2.77Å; F416-C434 HydrophobicContact CB-CB 4.44Å; F416-C434 HydrophobicContact CD2-CB 4.41Å; F416-C434 PolarHBondContact N-O 3.45Å; T432-C434 VanDerWaalsContact C-N 3.31Å; T432-C434 PolarHBondContact O-N 2.96Å
435W98.8Very high97.5Very high9 Ų936.6 Ų36.63%0.03418%0.182CC..EExtended strand (participates in β ladder)trans-148.3162.217763.8-78.2000111.7Y276 Y277 L279 R413 M414 V429 T430 T432 E437Y276-W435 VanDerWaalsContact CD2-O 3.26Å; Y276-W435 WeakPolarHBondContact CD2-O 3.26Å; Y277-W435 VanDerWaalsContact CB-NE1 3.32Å; Y277-W435 HydrophobicContact CD1-CH2 4.26Å; Y277-W435 AromaticContact CD1-CZ2 3.88Å; Y277-W435 HydrophobicContact CD1-CZ2 3.88Å; Y277-W435 HydrophobicContact CD2-CD2 4.25Å; Y277-W435 HydrophobicContact CD2-CE3 4.12Å; Y277-W435 AromaticContact CD2-CH2 3.61Å; Y277-W435 HydrophobicContact CD2-CH2 3.61Å; Y277-W435 AromaticContact CD2-CZ2 3.76Å; Y277-W435 HydrophobicContact CD2-CZ2 3.76Å; Y277-W435 AromaticContact CD2-CZ3 3.81Å; Y277-W435 HydrophobicContact CD2-CZ3 3.81Å; Y277-W435 AromaticContact CE2-CH2 3.89Å; Y277-W435 HydrophobicContact CE2-CH2 3.89Å; Y277-W435 HydrophobicContact CE2-CZ2 4.39Å; Y277-W435 HydrophobicContact CE2-CZ3 4.15Å; Y277-W435 HydrophobicContact CG-CD2 4.31Å; Y277-W435 AromaticContact CG-CE2 3.74Å; Y277-W435 AromaticContact CG-CH2 3.82Å; Y277-W435 HydrophobicContact CG-CH2 3.82Å; Y277-W435 AromaticContact CG-CZ2 3.47Å; Y277-W435 HydrophobicContact CG-CZ2 3.47Å; Y277-W435 VanDerWaalsContact CG-CZ2 3.47Å; Y277-W435 HydrophobicContact CG-CZ3 4.38Å; Y277-W435 PolarHBondContact N-O 2.95Å; Y277-W435 PolarHBondContact O-N 2.71Å; L279-W435 PolarHBondContact O-NE1 3.47Å; R413-W435 HydrophobicContact CG-CZ3 4.2Å; M414-W435 CarbonylContact O-C 3.59Å; M414-W435 WeakPolarHBondContact O-CA 3.28Å; M414-W435 VanDerWaalsContact O-CB 3.26Å; M414-W435 WeakPolarHBondContact O-CB 3.28Å; V429-W435 HydrophobicContact CG1-CD2 4.44Å; V429-W435 HydrophobicContact CG1-CE3 4.34Å; V429-W435 HydrophobicContact CG1-CH2 4.15Å; V429-W435 HydrophobicContact CG1-CZ2 4.23Å; V429-W435 HydrophobicContact CG1-CZ3 4.19Å; V429-W435 HydrophobicContact CG2-CB 4.11Å; V429-W435 HydrophobicContact CG2-CD2 3.61Å; V429-W435 HydrophobicContact CG2-CE3 3.7Å; V429-W435 HydrophobicContact CG2-CG 3.81Å; V429-W435 HydrophobicContact CG2-CZ3 4.36Å; T430-W435 HydrophobicContact CG2-CZ2 4.13Å; T432-W435 WeakPolarHBondContact OG1-CB 3.43Å; W435-E437 HydrophobicContact CZ3-CB 3.98Å
436I98.9Very high97.6Very high0 Ų028.2 Ų28.20%014%0.143CC..EExtended strand (participates in β ladder)trans-124.2150.2176.955.6170.9000111I274 V275 Y276 V296 V334 R413 M414 F416 I438I274-I436 HydrophobicContact CG2-CB 3.82Å; I274-I436 HydrophobicContact CG2-CD1 3.92Å; I274-I436 HydrophobicContact CG2-CG1 4.41Å; I274-I436 HydrophobicContact CG2-CG2 3.96Å; V275-I436 CarbonylContact O-C 3.55Å; V275-I436 WeakPolarHBondContact O-CA 3.34Å; Y276-I436 HydrophobicContact CD2-CG2 3.96Å; V296-I436 HydrophobicContact CG1-CD1 4.45Å; V296-I436 HydrophobicContact CG1-CG2 4.49Å; V296-I436 HydrophobicContact CG2-CD1 4.43Å; V334-I436 HydrophobicContact CG1-CD1 4.42Å; R413-I436 WeakPolarHBondContact CA-O 3.11Å; M414-I436 HydrophobicContact CB-CD1 4.41Å; M414-I436 HydrophobicContact CB-CG1 3.91Å; M414-I436 PolarHBondContact N-O 3.04Å; M414-I436 PolarHBondContact O-N 3.21Å; M414-I436 HydrophobicContact SD-CD1 4.23Å; F416-I436 HydrophobicContact CE2-CD1 4.4Å; F416-I436 HydrophobicContact CE2-CG1 4.14Å; F416-I436 HydrophobicContact CE2-CG2 3.95Å; F416-I436 HydrophobicContact CZ-CD1 4.14Å; F416-I436 HydrophobicContact CZ-CG1 4.37Å; I436-I438 HydrophobicContact CD1-CD1 4.17Å; I436-I438 HydrophobicContact CD1-CG1 4.21Å
437E98.8Very high97.6Very high21 Ų2125.2 Ų25.210%0.09813%0.132CC..EExtended strand (participates in β ladder)trans-115.1125.1170.3-167167.66300109.2I274 V275 Y277 T411 R413 W435 H439I274-E437 WeakPolarHBondContact CA-O 3.48Å; V275-E437 PolarHBondContact N-O 3.18Å; V275-E437 PolarHBondContact O-N 2.75Å; Y277-E437 HydrophobicContact CD2-CB 4.5Å; Y277-E437 HydrophobicContact CE2-CB 3.94Å; T411-E437 HydrophobicContact CG2-CG 3.44Å; T411-E437 VanDerWaalsContact CG2-CG 3.44Å; R413-E437 HydrophobicContact CG-CG 4.25Å; R413-E437 IonicContact CZ-OE2 2.93Å; R413-E437 IonicContact NE-OE2 3.85Å; R413-E437 PolarHBondContact NE-OE2 2.65Å; R413-E437 IonicContact NH2-OE2 2.75Å; R413-E437 PolarHBondContact NH2-OE2 2.73Å; W435-E437 HydrophobicContact CZ3-CB 3.98Å; E437-H439 IonicContact OE1-CE1 3.17Å; E437-H439 PolarHBondContact OE1-CE1 2.94Å; E437-H439 VanDerWaalsContact OE1-CE1 3.31Å; E437-H439 IonicContact OE1-NE2 3.99Å
438I98.7Very high97.7Very high2 Ų225.9 Ų25.91%0.0114%0.138CC..EExtended strand (participates in β ladder)trans-110.8123.1-175.8-53.7162.9000107.7C272 S273 I274 L336 T411 I412 I436 L440C272-I438 HydrophobicContact CB-CG2 3.98Å; S273-I438 WeakPolarHBondContact O-CA 3.34Å; I274-I438 HydrophobicContact CG1-CG1 4.41Å; I274-I438 HydrophobicContact CG2-CG1 4.38Å; L336-I438 HydrophobicContact CD1-CD1 3.68Å; L336-I438 HydrophobicContact CD1-CG1 4.31Å; L336-I438 HydrophobicContact CD2-CD1 4.09Å; T411-I438 WeakPolarHBondContact CA-O 3.34Å; I412-I438 HydrophobicContact CB-CB 4.32Å; I412-I438 HydrophobicContact CG2-CD1 4.45Å; I412-I438 PolarHBondContact N-O 3Å; I412-I438 PolarHBondContact O-N 3.29Å; I436-I438 HydrophobicContact CD1-CD1 4.17Å; I436-I438 HydrophobicContact CD1-CG1 4.21Å; I438-L440 HydrophobicContact CG2-CD2 4.09Å
439H98.5Very high97.7Very high47 Ų4724.6 Ų24.622%0.21813%0.129CC..EExtended strand (participates in β ladder)trans-107.1119.8175.6-64.488.2000109.5C272 S273 T411 E437 H441 L444C272-H439 CarbonylContact C-O 3.57Å; C272-H439 WeakPolarHBondContact CA-O 3.35Å; C272-H439 WeakPolarHBondContact CB-O 3.28Å; S273-H439 PolarHBondContact N-O 3.39Å; S273-H439 PolarHBondContact O-N 3.17Å; T411-H439 PolarHBondContact OG1-CD2 3.3Å; E437-H439 IonicContact OE1-CE1 3.17Å; E437-H439 PolarHBondContact OE1-CE1 2.94Å; E437-H439 VanDerWaalsContact OE1-CE1 3.31Å; E437-H439 IonicContact OE1-NE2 3.99Å; H439-H441 PolarHBondContact O-CD2 3.25Å; H439-H441 VanDerWaalsContact O-CD2 3.27Å; H439-H441 PolarHBondContact O-N 2.93Å; H439-L444 HydrophobicContact CB-CD1 4.07Å
440L98.4Very high97.5Very high3 Ų324.4 Ų24.42%0.01613%0.128CC..EExtended strand (participates in β ladder)trans-87.7108.8-179.4-58.2-179.7000110.4W271 C272 V343 F383 C410 I412 I438 G442 P443 L444W271-L440 HydrophobicContact CE3-CD2 4.12Å; W271-L440 HydrophobicContact CZ3-CD2 3.88Å; C272-L440 HydrophobicContact CB-CD2 4.01Å; V343-L440 HydrophobicContact CG2-CD1 4.46Å; V343-L440 HydrophobicContact CG2-CD2 4.14Å; F383-L440 HydrophobicContact CB-CD1 3.82Å; F383-L440 HydrophobicContact CD1-CD1 3.64Å; F383-L440 HydrophobicContact CD2-CD1 3.34Å; F383-L440 HydrophobicContact CE1-CD1 3.97Å; F383-L440 HydrophobicContact CE2-CD1 3.7Å; F383-L440 HydrophobicContact CG-CD1 3.3Å; F383-L440 HydrophobicContact CZ-CD1 3.99Å; C410-L440 PolarHBondContact O-N 3.31Å; I412-L440 HydrophobicContact CD1-CD1 4.09Å; I438-L440 HydrophobicContact CG2-CD2 4.09Å; L440-G442 PolarHBondContact O-N 3.16Å; L440-P443 HydrophobicContact CB-CB 4.43Å; L440-P443 HydrophobicContact CB-CG 3.93Å; L440-P443 HydrophobicContact CD1-CG 4.5Å; L440-L444 WeakPolarHBondContact O-CB 3.43Å; L440-L444 WeakPolarHBondContact O-CD1 3.46Å; L440-L444 VanDerWaalsContact O-CG 3.26Å; L440-L444 WeakPolarHBondContact O-CG 3.39Å; L440-L444 PolarHBondContact O-N 3.02Å; L440-L444 VanDerWaalsContact O-N 3.12Å
441H97.9Very high97.3Very high46 Ų4623 Ų2321%0.21312%0.118CC..Hα-helixtrans-71.5-34.6-168.7-68.7-174.3000112.7P268 H270 W271 S273 H439 L444 Q445P268-H441 HydrophobicContact CB-CB 4.06Å; P268-H441 HydrophobicContact CG-CB 3.86Å; H270-H441 VanDerWaalsContact O-CB 3.23Å; H270-H441 WeakPolarHBondContact O-CB 3.39Å; H270-H441 PolarHBondContact O-ND1 3.34Å; W271-H441 PolarHBondContact O-N 2.77Å; S273-H441 WeakPolarHBondContact CB-NE2 3.18Å; S273-H441 PolarHBondContact N-NE2 2.76Å; S273-H441 PolarHBondContact OG-NE2 2.56Å; H439-H441 PolarHBondContact O-CD2 3.25Å; H439-H441 VanDerWaalsContact O-CD2 3.27Å; H439-H441 PolarHBondContact O-N 2.93Å; H441-L444 PolarHBondContact O-N 3.31Å; H441-Q445 VanDerWaalsContact O-CB 3.23Å; H441-Q445 WeakPolarHBondContact O-CB 3.36Å; H441-Q445 PolarHBondContact O-N 3.38Å
442G96.6Very high97Very high2 Ų224.9 Ų24.92%0.02113%0.128CC..Hα-helixtrans-63.8-56.9179.400000111.6Y265 L440 L444 Q445 W446Y265-G442 WeakPolarHBondContact OH-CA 3.5Å; L440-G442 PolarHBondContact O-N 3.16Å; G442-L444 VanDerWaalsContact C-N 3.33Å; G442-L444 PolarHBondContact O-N 2.88Å; G442-Q445 PolarHBondContact O-N 3.38Å; G442-W446 PolarHBondContact O-N 3.28Å
443P97.4Very high96.7Very high4 Ų429.5 Ų29.53%0.02615%0.149CC..Hα-helixtrans-53.1-44.2171.7-31.138000113.9F383 F388 C410 L440 W446 L447F383-P443 HydrophobicContact CD1-CG 4.48Å; F383-P443 HydrophobicContact CE1-CB 4.32Å; F383-P443 HydrophobicContact CE1-CG 3.49Å; F383-P443 VanDerWaalsContact CE1-CG 3.49Å; F383-P443 HydrophobicContact CZ-CB 3.94Å; F383-P443 HydrophobicContact CZ-CG 3.6Å; F388-P443 HydrophobicContact CD1-CB 3.9Å; F388-P443 HydrophobicContact CD1-CG 4.46Å; F388-P443 HydrophobicContact CE1-CB 3.66Å; F388-P443 HydrophobicContact CE2-CB 4.38Å; F388-P443 HydrophobicContact CG-CB 4.35Å; F388-P443 HydrophobicContact CZ-CB 3.92Å; C410-P443 HydrophobicContact CB-CB 4.3Å; C410-P443 VanDerWaalsContact SG-CB 3.58Å; L440-P443 HydrophobicContact CB-CB 4.43Å; L440-P443 HydrophobicContact CB-CG 3.93Å; L440-P443 HydrophobicContact CD1-CG 4.5Å; P443-W446 PolarHBondContact O-N 3.22Å; P443-L447 VanDerWaalsContact O-CB 3.3Å; P443-L447 WeakPolarHBondContact O-CB 3.49Å; P443-L447 PolarHBondContact O-N 2.99Å
444L97.8Very high96.1Very high46 Ų4629.7 Ų29.724%0.24115%0.15CC..Hα-helixtrans-61.9-46.1176.6-76.2168.5000112.6T407 C410 H439 L440 H441 G442 W446 L447 D448T407-L444 HydrophobicContact CG2-CD2 4.13Å; C410-L444 HydrophobicContact CB-CD1 4.42Å; C410-L444 HydrophobicContact CB-CD2 3.57Å; C410-L444 HydrophobicContact CB-CG 3.58Å; H439-L444 HydrophobicContact CB-CD1 4.07Å; L440-L444 WeakPolarHBondContact O-CB 3.43Å; L440-L444 WeakPolarHBondContact O-CD1 3.46Å; L440-L444 VanDerWaalsContact O-CG 3.26Å; L440-L444 WeakPolarHBondContact O-CG 3.39Å; L440-L444 PolarHBondContact O-N 3.02Å; L440-L444 VanDerWaalsContact O-N 3.12Å; H441-L444 PolarHBondContact O-N 3.31Å; G442-L444 VanDerWaalsContact C-N 3.33Å; G442-L444 PolarHBondContact O-N 2.88Å; L444-W446 VanDerWaalsContact C-N 3.32Å; L444-W446 PolarHBondContact O-N 2.76Å; L444-L447 WeakPolarHBondContact O-CB 3.27Å; L444-L447 PolarHBondContact O-N 2.97Å; L444-D448 WeakPolarHBondContact O-CB 3.15Å; L444-D448 PolarHBondContact O-N 3.43Å
445Q97Very high95.3Very high67 Ų6732.1 Ų32.131%0.31318%0.175SC..Hα-helixtrans-64.4-39.1179.4-174.7-177.516.600111.3E266 H441 G442 K449E266-Q445 PolarHBondContact O-OE1 3.11Å; H441-Q445 VanDerWaalsContact O-CB 3.23Å; H441-Q445 WeakPolarHBondContact O-CB 3.36Å; H441-Q445 PolarHBondContact O-N 3.38Å; G442-Q445 PolarHBondContact O-N 3.38Å; Q445-K449 WeakPolarHBondContact O-CG 3.36Å; Q445-K449 PolarHBondContact O-N 2.78Å; Q445-K449 VanDerWaalsContact O-N 3.13Å
446W96.7Very high94.5Very high4 Ų436.2 Ų36.22%0.01521%0.205CC..Hα-helixtrans-66.6-42.8177-162.57.3000111.5L136 P137 V139 V263 Y265 F388 A389 L392 G442 P443 L444 K449 V450L136-W446 HydrophobicContact CB-CH2 3.77Å; L136-W446 HydrophobicContact CB-CZ3 4.21Å; L136-W446 HydrophobicContact CD1-CH2 4.21Å; L136-W446 HydrophobicContact CD1-CZ3 3.77Å; P137-W446 WeakPolarHBondContact O-CZ2 3.31Å; V139-W446 HydrophobicContact CG2-CH2 4.43Å; V139-W446 HydrophobicContact CG2-CZ2 3.69Å; V263-W446 PolarHBondContact O-NE1 3.4Å; Y265-W446 HydrophobicContact CD2-CB 3.96Å; Y265-W446 AromaticContact CD2-CD2 3.69Å; Y265-W446 HydrophobicContact CD2-CD2 3.69Å; Y265-W446 AromaticContact CD2-CE3 3.32Å; Y265-W446 HydrophobicContact CD2-CE3 3.32Å; Y265-W446 HydrophobicContact CD2-CG 4.02Å; Y265-W446 AromaticContact CD2-CZ3 3.91Å; Y265-W446 HydrophobicContact CD2-CZ3 3.91Å; Y265-W446 HydrophobicContact CE2-CE3 4.2Å; Y265-W446 HydrophobicContact CG-CD2 4.26Å; Y265-W446 HydrophobicContact CG-CE3 4.03Å; Y265-W446 HydrophobicContact CG-CZ3 4.28Å; F388-W446 HydrophobicContact CD1-CE3 4.41Å; A389-W446 HydrophobicContact CB-CH2 3.45Å; A389-W446 VanDerWaalsContact CB-CH2 3.45Å; A389-W446 HydrophobicContact CB-CZ3 3.45Å; A389-W446 VanDerWaalsContact CB-CZ3 3.45Å; L392-W446 HydrophobicContact CD2-CD2 3.98Å; L392-W446 HydrophobicContact CD2-CE3 4.35Å; L392-W446 HydrophobicContact CD2-CG 4.01Å; G442-W446 PolarHBondContact O-N 3.28Å; P443-W446 PolarHBondContact O-N 3.22Å; L444-W446 VanDerWaalsContact C-N 3.32Å; L444-W446 PolarHBondContact O-N 2.76Å; W446-K449 PolarHBondContact O-N 3.46Å; W446-V450 WeakPolarHBondContact O-CG2 3.15Å; W446-V450 PolarHBondContact O-N 3.02Å; W446-V450 VanDerWaalsContact O-N 3.11Å
447L96.6Very high93.6Very high2 Ų238.8 Ų38.81%0.0122%0.222CC..Hα-helixtrans-60.4-47.3175.8-173.667.7000112F388 L392 V403 L406 T407 P443 L444 K449 V450 L451F388-L447 HydrophobicContact CZ-CB 4.4Å; L392-L447 HydrophobicContact CD1-CD1 3.54Å; V403-L447 HydrophobicContact CG1-CD1 3.46Å; V403-L447 VanDerWaalsContact CG1-CD1 3.46Å; V403-L447 WeakPolarHBondContact O-CD1 3.29Å; L406-L447 HydrophobicContact CB-CD1 3.97Å; L406-L447 HydrophobicContact CB-CD2 4.34Å; L406-L447 HydrophobicContact CD1-CD1 4.41Å; T407-L447 VanDerWaalsContact N-CD2 3.34Å; T407-L447 WeakPolarHBondContact OG1-CD2 3.42Å; P443-L447 VanDerWaalsContact O-CB 3.3Å; P443-L447 WeakPolarHBondContact O-CB 3.49Å; P443-L447 PolarHBondContact O-N 2.99Å; L444-L447 WeakPolarHBondContact O-CB 3.27Å; L444-L447 PolarHBondContact O-N 2.97Å; L447-K449 VanDerWaalsContact C-N 3.34Å; L447-K449 PolarHBondContact O-N 3.26Å; L447-V450 PolarHBondContact O-N 2.77Å; L447-V450 VanDerWaalsContact O-N 3.15Å; L447-L451 HydrophobicContact CD2-CD1 4.48Å; L447-L451 HydrophobicContact CG-CD1 3.98Å; L447-L451 HydrophobicContact CG-CG 4.47Å; L447-L451 WeakPolarHBondContact O-CG 3.15Å; L447-L451 PolarHBondContact O-N 3.38Å
448D95.3Very high92.6Very high101 Ų10144.7 Ų44.754%0.5425%0.253SS..Hα-helixtrans-57.7-45.1178.217970.8000112L444 V450 L451 T452L444-D448 WeakPolarHBondContact O-CB 3.15Å; L444-D448 PolarHBondContact O-N 3.43Å; D448-V450 VanDerWaalsContact C-N 3.34Å; D448-V450 PolarHBondContact O-N 3.42Å; D448-L451 PolarHBondContact O-N 3.44Å; D448-T452 WeakPolarHBondContact O-CB 3.31Å; D448-T452 PolarHBondContact O-N 3.05Å; D448-T452 PolarHBondContact O-OG1 3.04Å
449K94.9Very high91.8Very high50 Ų5050.2 Ų50.222%0.21728%0.283CS..Hα-helixtrans-62.2-39.7175.5-72.7178.5179.1178.30112.6V263 E266 Q445 W446 L447 Q453V263-K449 HydrophobicContact CG1-CB 3.51Å; V263-K449 HydrophobicContact CG1-CD 4.35Å; E266-K449 IonicContact OE1-NZ 3.32Å; E266-K449 PolarHBondContact OE1-NZ 3.29Å; E266-K449 IonicContact OE2-NZ 3.96Å; E266-K449 PolarHBondContact OE2-NZ 3.49Å; Q445-K449 WeakPolarHBondContact O-CG 3.36Å; Q445-K449 PolarHBondContact O-N 2.78Å; Q445-K449 VanDerWaalsContact O-N 3.13Å; W446-K449 PolarHBondContact O-N 3.46Å; L447-K449 VanDerWaalsContact C-N 3.34Å; L447-K449 PolarHBondContact O-N 3.26Å; K449-Q453 WeakPolarHBondContact O-CG 3.32Å
450V94.7Very high91Very high0 Ų053.9 Ų53.90%031%0.311CS..Hα-helixtrans-66.6-49.5176.4169.60000110.7V139 V141 V263 L392 V396 V403 W446 L447 D448 T452 Q453 M454V139-V450 HydrophobicContact CB-CG2 4.03Å; V139-V450 HydrophobicContact CG1-CG1 4.44Å; V139-V450 HydrophobicContact CG1-CG2 3.87Å; V141-V450 HydrophobicContact CG2-CB 4.47Å; V141-V450 HydrophobicContact CG2-CG1 3.9Å; V141-V450 HydrophobicContact CG2-CG2 4.41Å; V263-V450 HydrophobicContact CB-CG2 4.05Å; V263-V450 HydrophobicContact CG1-CG2 3.94Å; V263-V450 HydrophobicContact CG2-CG2 4.38Å; L392-V450 HydrophobicContact CD1-CB 4.37Å; L392-V450 HydrophobicContact CD1-CG1 4.16Å; L392-V450 HydrophobicContact CD1-CG2 4.39Å; L392-V450 HydrophobicContact CD2-CG2 4.07Å; L392-V450 HydrophobicContact CG-CG2 4.36Å; V396-V450 HydrophobicContact CG2-CG1 3.51Å; V403-V450 HydrophobicContact CG1-CG1 4.03Å; W446-V450 WeakPolarHBondContact O-CG2 3.15Å; W446-V450 PolarHBondContact O-N 3.02Å; W446-V450 VanDerWaalsContact O-N 3.11Å; L447-V450 PolarHBondContact O-N 2.77Å; L447-V450 VanDerWaalsContact O-N 3.15Å; D448-V450 VanDerWaalsContact C-N 3.34Å; D448-V450 PolarHBondContact O-N 3.42Å; V450-T452 VanDerWaalsContact C-N 3.27Å; V450-T452 PolarHBondContact O-N 3.08Å; V450-Q453 WeakPolarHBondContact O-CB 3.39Å; V450-Q453 PolarHBondContact O-N 3.2Å; V450-M454 HydrophobicContact CG1-CG 4.45Å; V450-M454 HydrophobicContact CG1-SD 4.08Å; V450-M454 PolarHBondContact O-N 3.48Å
451L93.1Very high90.5Very high22 Ų2261.4 Ų61.412%0.11535%0.349CS..Hα-helixtrans-57.9-40.1178.9-75169.6000112.1F400 V403 Y404 L447 D448 Q453 M454F400-L451 HydrophobicContact CD2-CD2 3.96Å; F400-L451 HydrophobicContact CE1-CD2 4.43Å; F400-L451 HydrophobicContact CE2-CB 4.43Å; F400-L451 HydrophobicContact CE2-CD2 3.72Å; F400-L451 HydrophobicContact CG-CD2 4.42Å; F400-L451 HydrophobicContact CZ-CD2 3.97Å; V403-L451 HydrophobicContact CB-CD2 3.9Å; V403-L451 HydrophobicContact CG1-CD2 3.55Å; V403-L451 HydrophobicContact CG1-CG 3.8Å; Y404-L451 HydrophobicContact CD2-CD1 4.16Å; L447-L451 HydrophobicContact CD2-CD1 4.48Å; L447-L451 HydrophobicContact CG-CD1 3.98Å; L447-L451 HydrophobicContact CG-CG 4.47Å; L447-L451 WeakPolarHBondContact O-CG 3.15Å; L447-L451 PolarHBondContact O-N 3.38Å; D448-L451 PolarHBondContact O-N 3.44Å; L451-Q453 PolarHBondContact O-N 3.01Å; L451-Q453 VanDerWaalsContact O-N 3.15Å; L451-M454 PolarHBondContact O-N 3.32Å
452T92Very high90.1Very high94 Ų9462.4 Ų62.458%0.57736%0.362SS*.Hα-helixtrans-57.7-28175.7-59.80000112.6D448 V450D448-T452 WeakPolarHBondContact O-CB 3.31Å; D448-T452 PolarHBondContact O-N 3.05Å; D448-T452 PolarHBondContact O-OG1 3.04Å; V450-T452 VanDerWaalsContact C-N 3.27Å; V450-T452 PolarHBondContact O-N 3.08Å
453Q90.4Very high89.9Confident96 Ų9668.2 Ų68.245%0.44940%0.402SS..Hα-helixtrans-88.8-15.3177.9-58.3-56.5-53.700113.9V141 Q261 V263 K449 V450 L451V141-Q453 HydrophobicContact CB-CB 4.1Å; V141-Q453 HydrophobicContact CG1-CB 3.83Å; V141-Q453 HydrophobicContact CG2-CB 4.24Å; Q261-Q453 HydrophobicContact CG-CG 4.39Å; V263-Q453 HydrophobicContact CG2-CG 4.04Å; K449-Q453 WeakPolarHBondContact O-CG 3.32Å; V450-Q453 WeakPolarHBondContact O-CB 3.39Å; V450-Q453 PolarHBondContact O-N 3.2Å; L451-Q453 PolarHBondContact O-N 3.01Å; L451-Q453 VanDerWaalsContact O-N 3.15Å
454M87.4Confident89.5Confident7 Ų774.1 Ų74.13%0.03444%0.438CS..Hα-helixtrans-88.4-8-172.7-70.8-172.978.700115.1V141 N145 F147 V396 F400 V403 V450 L451V141-M454 HydrophobicContact CG1-CG 3.68Å; N145-M454 PolarHBondContact ND2-O 3.44Å; F147-M454 HydrophobicContact CE2-CE 4.38Å; F147-M454 HydrophobicContact CZ-CE 3.67Å; V396-M454 HydrophobicContact CG1-CE 4.43Å; V396-M454 HydrophobicContact CG2-SD 4.31Å; V396-M454 WeakPolarHBondContact O-CE 3.27Å; F400-M454 HydrophobicContact CD2-CB 4.17Å; V403-M454 HydrophobicContact CB-SD 3.91Å; V403-M454 HydrophobicContact CG1-SD 4.17Å; V403-M454 HydrophobicContact CG2-CE 3.97Å; V403-M454 HydrophobicContact CG2-SD 3.51Å; V403-M454 VanDerWaalsContact CG2-SD 3.51Å; V450-M454 HydrophobicContact CG1-CG 4.45Å; V450-M454 HydrophobicContact CG1-SD 4.08Å; V450-M454 PolarHBondContact O-N 3.48Å; L451-M454 PolarHBondContact O-N 3.32Å
455G82.4Confident88.7Confident52 Ų5279.2 Ų79.254%0.53648%0.477SS..  trans80.7-154-174.200000112.9F400F400-G455 WeakPolarHBondContact CD2-O 3.26Å; F400-G455 WeakPolarHBondContact CE2-O 3.38Å
456S81Confident88.3Confident94 Ų9479.8 Ų79.866%0.65749%0.485SS*.SBendtrans-99.1163.2-178.959.70000112.5
457P80.8Confident87.8Confident55 Ų5583.8 Ų83.836%0.35751%0.51SS..  trans-52.4149.5166.7-22.330.9000112.2F400 N459F400-P457 HydrophobicContact CD1-CB 4.36Å; F400-P457 HydrophobicContact CD1-CG 3.66Å; F400-P457 HydrophobicContact CE1-CG 3.64Å; F400-P457 HydrophobicContact CG-CG 4.45Å; F400-P457 HydrophobicContact CZ-CG 4.4Å; P457-N459 VanDerWaalsContact C-N 3.34Å
458L78Confident87.4Confident144 Ų14488.3 Ų88.375%0.75454%0.538SS*.SBendtrans-68.1-34.9178.1-70.4170.3000112.3P460L458-P460 WeakPolarHBondContact O-CD 3.3Å
459N80.8Confident86.9Confident119 Ų11987.6 Ų87.664%0.63654%0.538SS*.SBendtrans-86.4114.1-179-67.2-35.8000109.7P457P457-N459 VanDerWaalsContact C-N 3.34Å
460P82.5Confident86.4Confident123 Ų12389.9 Ų89.980%0.79956%0.558SS**PPolyproline II helixtrans-64.9139.417328.3-33.4000109.6L458L458-P460 WeakPolarHBondContact O-CD 3.3Å
461I86.9Confident85.8Confident161 Ų16195.9 Ų95.983%0.82660%0.595SS**PPolyproline II helixtrans-86136173-167.1165.9000109.5
462S89Confident85.3Confident67 Ų67101.2 Ų101.247%0.46963%0.629SS.*PPolyproline II helixtrans-69.7139.8174.2175.40000110.1V464 S465S462-V464 PolarHBondContact O-N 3.46Å; S462-V464 PolarHBondContact OG-N 2.91Å; S462-V464 VanDerWaalsContact OG-N 3.09Å; S462-S465 WeakPolarHBondContact CB-OG 3.48Å; S462-S465 PolarHBondContact OG-N 2.64Å
463S92.6Very high84.8Confident125 Ų125101.8 Ų101.887%0.87463%0.633SS**SBendtrans-83.63.1171.2640000113.3
464V90Very high84.3Confident127 Ų127102.3 Ų102.377%0.7765%0.648SS**  trans-122.7-25-172.4-173.50000112.9S462S462-V464 PolarHBondContact O-N 3.46Å; S462-V464 PolarHBondContact OG-N 2.91Å; S462-V464 VanDerWaalsContact OG-N 3.09Å
465S80.6Confident84Confident153 Ų153110.9 Ų110.9100%1.0770%0.704SS**  trans-63.30-174.154.60000114S462S462-S465 WeakPolarHBondContact CB-OG 3.48Å; S462-S465 PolarHBondContact OG-N 2.64Å

Retrieved 465 of 465 residues in 83.1 ms (Link to these results)

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