A0A3Q0KMJ7_SCHMA Loading...

Putative programmed cell death protein

AlphaFold DB , UniProt , Accession A0A3Q0KMJ7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 174 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
1M43.9Very low73.4Confident246 Ų24685.7 Ų85.7100%1.21250%0.502SS*.  0129.50-82.6171.4166.600107.4
2Q52.6Low75.1Confident141 Ų14186.8 Ų86.866%0.65950%0.504SS*.PPolyproline II helixtrans-67.9138.6172.9-73.5173.8-2.700108.9
3Q61.9Low76.6Confident103 Ų10383.1 Ų83.148%0.48148%0.483SS..PPolyproline II helixtrans-66.1140.9174.5-72.3-177-17.700109.6G5 V6 C65Q3-G5 PolarHBondContact O-N 3.16Å; Q3-V6 HydrophobicContact CB-CG2 4.04Å; Q3-V6 PolarHBondContact O-N 3.22Å; Q3-C65 PolarHBondContact OE1-SG 2.96Å
4P65.1Low77.9Confident129 Ų12977.6 Ų77.684%0.83845%0.451SS*.THydrogen-bonded Turntrans-56.3129.1178.6-20.230.4000111.1
5G68.3Low79Confident79 Ų7979.7 Ų79.781%0.81446%0.46SS*.THydrogen-bonded Turntrans92.9-4178.700000115.9Q3Q3-G5 PolarHBondContact O-N 3.16Å
6V71.5Confident79.9Confident13 Ų1383.7 Ų83.78%0.07947%0.473CS..  trans-93.3116.8177.3177.60000110.4Q3 A11 I64 S68Q3-V6 HydrophobicContact CB-CG2 4.04Å; Q3-V6 PolarHBondContact O-N 3.22Å; V6-A11 HydrophobicContact CG1-CB 3.87Å; V6-I64 HydrophobicContact CG1-CD1 3.91Å; V6-I64 HydrophobicContact CG1-CG1 3.81Å; V6-I64 HydrophobicContact CG2-CG1 4.08Å; V6-S68 WeakPolarHBondContact CG1-OG 3.37Å
7N80.6Confident80.8Confident84 Ų8479.9 Ų79.945%0.44945%0.451SS..  trans-69.8139.8171.7-175.4-23.4000110.5V9 A10 A11N7-V9 PolarHBondContact O-N 3.33Å; N7-V9 PolarHBondContact OD1-N 2.93Å; N7-V9 VanDerWaalsContact OD1-N 3.13Å; N7-A10 PolarHBondContact O-N 3.41Å; N7-A10 VanDerWaalsContact O-N 3.1Å; N7-A11 PolarHBondContact O-N 3.38Å
8S86.4Confident81.5Confident53 Ų5376 Ų7637%0.37143%0.429SS..Hα-helixtrans-55.5-33.7179.660.70000113.6N12S8-N12 WeakPolarHBondContact O-CB 3.36Å; S8-N12 PolarHBondContact O-N 2.73Å; S8-N12 PolarHBondContact O-ND2 3.47Å
9V91.9Very high81.9Confident75 Ų7581.3 Ų81.346%0.45544%0.441SS..Hα-helixtrans-65.8-47.9176.6179.90000110.8N7 A11 N12 V13 F71N7-V9 PolarHBondContact O-N 3.33Å; N7-V9 PolarHBondContact OD1-N 2.93Å; N7-V9 VanDerWaalsContact OD1-N 3.13Å; V9-A11 VanDerWaalsContact C-N 3.33Å; V9-A11 PolarHBondContact O-N 3.34Å; V9-N12 PolarHBondContact O-N 2.84Å; V9-V13 WeakPolarHBondContact O-CG2 3.39Å; V9-V13 PolarHBondContact O-N 2.98Å; V9-F71 HydrophobicContact CG1-CE1 4Å; V9-F71 HydrophobicContact CG1-CZ 3.96Å
10A92.2Very high82.4Confident3 Ų382.4 Ų82.43%0.02545%0.446CS..Hα-helixtrans-63-41.2178.600000111.2N7 N12 V13 F14 F67 F71N7-A10 PolarHBondContact O-N 3.41Å; N7-A10 VanDerWaalsContact O-N 3.1Å; A10-N12 VanDerWaalsContact C-N 3.35Å; A10-N12 PolarHBondContact O-N 2.91Å; A10-V13 PolarHBondContact O-N 2.86Å; A10-F14 WeakPolarHBondContact O-CB 3.39Å; A10-F14 PolarHBondContact O-N 3.29Å; A10-F67 HydrophobicContact CB-CD1 4.4Å; A10-F67 WeakPolarHBondContact O-CE1 3.31Å; A10-F71 HydrophobicContact CB-CB 4.25Å; A10-F71 HydrophobicContact CB-CD1 3.99Å; A10-F71 HydrophobicContact CB-CG 4.17Å
11A93.2Very high82.8Confident17 Ų1789.2 Ų89.214%0.1447%0.466CS..Hα-helixtrans-60.9-41.2175.100000113.1V6 N7 V9 F14 N15 I64V6-A11 HydrophobicContact CG1-CB 3.87Å; N7-A11 PolarHBondContact O-N 3.38Å; V9-A11 VanDerWaalsContact C-N 3.33Å; V9-A11 PolarHBondContact O-N 3.34Å; A11-F14 PolarHBondContact O-N 3.19Å; A11-N15 VanDerWaalsContact O-CG 3.31Å; A11-N15 PolarHBondContact O-N 3.32Å; A11-N15 VanDerWaalsContact O-N 3.13Å; A11-N15 PolarHBondContact O-ND2 3.24Å; A11-N15 VanDerWaalsContact O-ND2 3.14Å; A11-I64 HydrophobicContact CB-CD1 4.26Å
12N93.5Very high85.2Confident99 Ų9980.9 Ų80.953%0.52943%0.432SS..Hα-helixtrans-65.8-42.7177.4-70.9-21.5000111.6S8 V9 A10 Q16S8-N12 WeakPolarHBondContact O-CB 3.36Å; S8-N12 PolarHBondContact O-N 2.73Å; S8-N12 PolarHBondContact O-ND2 3.47Å; V9-N12 PolarHBondContact O-N 2.84Å; A10-N12 VanDerWaalsContact C-N 3.35Å; A10-N12 PolarHBondContact O-N 2.91Å; N12-Q16 WeakPolarHBondContact O-CG 3.5Å; N12-Q16 PolarHBondContact O-N 3.26Å
13V94.5Very high87.2Confident38 Ų3876 Ų7623%0.2342%0.42CS..Hα-helixtrans-65.7-43.4176.8176.10000110.6V9 A10 N15 Q16 I17 F67 F71V9-V13 WeakPolarHBondContact O-CG2 3.39Å; V9-V13 PolarHBondContact O-N 2.98Å; A10-V13 PolarHBondContact O-N 2.86Å; V13-N15 VanDerWaalsContact C-N 3.35Å; V13-N15 PolarHBondContact O-N 3.44Å; V13-Q16 WeakPolarHBondContact O-CB 3.27Å; V13-Q16 PolarHBondContact O-N 2.93Å; V13-I17 HydrophobicContact CG1-CD1 3.71Å; V13-I17 HydrophobicContact CG1-CG1 4.33Å; V13-I17 WeakPolarHBondContact O-CG1 3.28Å; V13-I17 PolarHBondContact O-N 3.31Å; V13-I17 VanDerWaalsContact O-N 3.13Å; V13-F67 HydrophobicContact CB-CE1 4.17Å; V13-F67 HydrophobicContact CB-CZ 4.39Å; V13-F67 HydrophobicContact CG1-CE1 4.07Å; V13-F67 HydrophobicContact CG1-CZ 3.78Å; V13-F71 HydrophobicContact CB-CE2 4.2Å; V13-F71 HydrophobicContact CG1-CD2 4.31Å; V13-F71 HydrophobicContact CG1-CE2 4.09Å; V13-F71 HydrophobicContact CG2-CE2 3.88Å; V13-F71 HydrophobicContact CG2-CZ 4.21Å
14F95.6Very high88.8Confident7 Ų772.4 Ų72.43%0.03141%0.406CS..Hα-helixtrans-53.3-51.4176.6-178-86000111.8A10 A11 Q16 I17 D18 G23 I25 I64 F67A10-F14 WeakPolarHBondContact O-CB 3.39Å; A10-F14 PolarHBondContact O-N 3.29Å; A11-F14 PolarHBondContact O-N 3.19Å; F14-Q16 PolarHBondContact O-N 2.95Å; F14-I17 PolarHBondContact O-N 3.22Å; F14-D18 HydrophobicContact CD1-CB 4.32Å; F14-D18 HydrophobicContact CE1-CB 3.92Å; F14-D18 HydrophobicContact CZ-CB 4.35Å; F14-D18 PolarHBondContact O-N 3.49Å; F14-G23 WeakPolarHBondContact CZ-O 3.4Å; F14-I25 HydrophobicContact CD2-CD1 3.33Å; F14-I25 HydrophobicContact CD2-CG1 3.94Å; F14-I25 HydrophobicContact CE2-CD1 3.56Å; F14-I25 HydrophobicContact CE2-CG1 3.64Å; F14-I25 HydrophobicContact CG-CD1 4.08Å; F14-I25 HydrophobicContact CZ-CD1 4.43Å; F14-I25 HydrophobicContact CZ-CG1 4.16Å; F14-I64 HydrophobicContact CB-CD1 3.53Å; F14-I64 HydrophobicContact CD1-CD1 4.07Å; F14-I64 HydrophobicContact CD2-CB 4.32Å; F14-I64 HydrophobicContact CD2-CD1 3.87Å; F14-I64 HydrophobicContact CE1-CB 4.47Å; F14-I64 HydrophobicContact CE2-CB 4.27Å; F14-I64 HydrophobicContact CG-CB 4.44Å; F14-I64 HydrophobicContact CG-CD1 3.54Å; F14-I64 HydrophobicContact CZ-CB 4.36Å; F14-F67 HydrophobicContact CB-CD1 3.79Å; F14-F67 HydrophobicContact CB-CE1 4.03Å; F14-F67 HydrophobicContact CB-CG 4.39Å; F14-F67 HydrophobicContact CD2-CB 3.63Å; F14-F67 AromaticContact CD2-CD1 3.9Å; F14-F67 HydrophobicContact CD2-CD1 3.9Å; F14-F67 HydrophobicContact CD2-CD2 4.22Å; F14-F67 AromaticContact CD2-CG 3.64Å; F14-F67 HydrophobicContact CD2-CG 3.64Å; F14-F67 HydrophobicContact CE2-CB 4.13Å; F14-F67 HydrophobicContact CE2-CG 4.49Å; F14-F67 HydrophobicContact CG-CD1 4.36Å
15N94Very high90.3Very high109 Ų10966.3 Ų66.358%0.58337%0.366SS*.Hα-helixtrans-64.5-21.1-179.7-68.6-31.5000113.6A11 V13A11-N15 VanDerWaalsContact O-CG 3.31Å; A11-N15 PolarHBondContact O-N 3.32Å; A11-N15 VanDerWaalsContact O-N 3.13Å; A11-N15 PolarHBondContact O-ND2 3.24Å; A11-N15 VanDerWaalsContact O-ND2 3.14Å; V13-N15 VanDerWaalsContact C-N 3.35Å; V13-N15 PolarHBondContact O-N 3.44Å
16Q94Very high91.5Very high143 Ų14364.4 Ų64.467%0.66834%0.34SS*.Hα-helixtrans-80.7-29.4173.5-69.8175.64.700112.3N12 V13 F14N12-Q16 WeakPolarHBondContact O-CG 3.5Å; N12-Q16 PolarHBondContact O-N 3.26Å; V13-Q16 WeakPolarHBondContact O-CB 3.27Å; V13-Q16 PolarHBondContact O-N 2.93Å; F14-Q16 PolarHBondContact O-N 2.95Å
17I94Very high92.6Very high19 Ų1965.1 Ų65.110%0.09735%0.347CS..Hα-helixtrans-84.7-44.6-179.1-60.4173.5000110.9V13 F14 R19 I25 E29 A33 F67V13-I17 HydrophobicContact CG1-CD1 3.71Å; V13-I17 HydrophobicContact CG1-CG1 4.33Å; V13-I17 WeakPolarHBondContact O-CG1 3.28Å; V13-I17 PolarHBondContact O-N 3.31Å; V13-I17 VanDerWaalsContact O-N 3.13Å; F14-I17 PolarHBondContact O-N 3.22Å; I17-R19 PolarHBondContact O-N 2.89Å; I17-I25 HydrophobicContact CB-CD1 3.85Å; I17-I25 HydrophobicContact CB-CG1 4.32Å; I17-I25 HydrophobicContact CD1-CD1 4.33Å; I17-I25 HydrophobicContact CG2-CD1 3.75Å; I17-I25 HydrophobicContact CG2-CG1 3.91Å; I17-I25 HydrophobicContact CG2-CG2 3.79Å; I17-E29 HydrophobicContact CG2-CB 3.99Å; I17-A33 HydrophobicContact CB-CB 4.38Å; I17-A33 HydrophobicContact CD1-CB 3.53Å; I17-A33 HydrophobicContact CG1-CB 3.56Å; I17-A33 HydrophobicContact CG2-CB 3.96Å; I17-F67 HydrophobicContact CD1-CE2 3.92Å; I17-F67 HydrophobicContact CD1-CZ 3.76Å
18D94Very high93.3Very high10 Ų1064.1 Ų64.15%0.05335%0.347CS..  trans-71.770.1176.3-179.918.5000110.9F14 N20 R21 S22 G23 I25F14-D18 HydrophobicContact CD1-CB 4.32Å; F14-D18 HydrophobicContact CE1-CB 3.92Å; F14-D18 HydrophobicContact CZ-CB 4.35Å; F14-D18 PolarHBondContact O-N 3.49Å; D18-N20 VanDerWaalsContact C-N 3.32Å; D18-N20 PolarHBondContact O-N 3.33Å; D18-N20 PolarHBondContact OD1-OD1 3.46Å; D18-R21 PolarHBondContact O-N 3.45Å; D18-R21 VanDerWaalsContact OD1-CA 3.3Å; D18-R21 WeakPolarHBondContact OD1-CA 3.26Å; D18-R21 PolarHBondContact OD1-N 3.2Å; D18-R21 WeakPolarHBondContact OD2-CA 3.41Å; D18-S22 PolarHBondContact OD1-N 2.99Å; D18-S22 PolarHBondContact OD1-OG 3.24Å; D18-S22 PolarHBondContact OD2-N 3.13Å; D18-G23 WeakPolarHBondContact OD2-CA 3.33Å; D18-G23 PolarHBondContact OD2-N 3.49Å; D18-I25 HydrophobicContact CB-CG1 4.35Å
19R89.8Confident93.7Very high176 Ų17662.7 Ų62.766%0.66433%0.334SS*.THydrogen-bonded Turntrans-68.2-32.6-174.4-69.7-176.3-174.6152.64.3112.4I17 R21 Q32I17-R19 PolarHBondContact O-N 2.89Å; R19-R21 VanDerWaalsContact C-N 3.27Å; R19-Q32 VanDerWaalsContact NH1-OE1 3.07Å
20N91.1Very high93.9Very high103 Ų10359.3 Ų59.355%0.55131%0.313SS*.THydrogen-bonded Turntrans-83.4-4.6178.767.613.8000112.6D18 S22 E29D18-N20 VanDerWaalsContact C-N 3.32Å; D18-N20 PolarHBondContact O-N 3.33Å; D18-N20 PolarHBondContact OD1-OD1 3.46Å; N20-S22 PolarHBondContact O-N 2.97Å; N20-S22 WeakPolarHBondContact OD1-CB 3.25Å; N20-S22 PolarHBondContact OD1-N 2.93Å; N20-S22 PolarHBondContact OD1-OG 2.92Å; N20-S22 VanDerWaalsContact OD1-OG 3.08Å; N20-E29 PolarHBondContact ND2-OE1 3.17Å
21R91.8Very high94.1Very high226 Ų22661.4 Ų61.485%0.85332%0.323SS*.  trans5737.3-178.7-56.5-177178.6-176.7-0.6112.5D18 R19 G23D18-R21 PolarHBondContact O-N 3.45Å; D18-R21 VanDerWaalsContact OD1-CA 3.3Å; D18-R21 WeakPolarHBondContact OD1-CA 3.26Å; D18-R21 PolarHBondContact OD1-N 3.2Å; D18-R21 WeakPolarHBondContact OD2-CA 3.41Å; R19-R21 VanDerWaalsContact C-N 3.27Å; R21-G23 PolarHBondContact O-N 3.43Å
22S94.2Very high94.1Very high72 Ų7266.4 Ų66.450%0.50334%0.343SS..  trans-70.7-17.8176.865.80000112.3D18 N20 S24D18-S22 PolarHBondContact OD1-N 2.99Å; D18-S22 PolarHBondContact OD1-OG 3.24Å; D18-S22 PolarHBondContact OD2-N 3.13Å; N20-S22 PolarHBondContact O-N 2.97Å; N20-S22 WeakPolarHBondContact OD1-CB 3.25Å; N20-S22 PolarHBondContact OD1-N 2.93Å; N20-S22 PolarHBondContact OD1-OG 2.92Å; N20-S22 VanDerWaalsContact OD1-OG 3.08Å; S22-S24 VanDerWaalsContact C-N 3.28Å; S22-S24 PolarHBondContact OG-N 2.94Å; S22-S24 PolarHBondContact OG-O 3.41Å
23G93.9Very high94.1Very high39 Ų3963.9 Ų63.940%0.40234%0.337SS..SBendtrans852.1-173.700000113.5F14 D18 R21F14-G23 WeakPolarHBondContact CZ-O 3.4Å; D18-G23 WeakPolarHBondContact OD2-CA 3.33Å; D18-G23 PolarHBondContact OD2-N 3.49Å; R21-G23 PolarHBondContact O-N 3.43Å
24S95.7Very high94.1Very high27 Ų2763.6 Ų63.619%0.18933%0.334CS..EExtended strand (participates in β ladder)trans-139.3157.9176.2-64.90000110.6S22 T61 I62S22-S24 VanDerWaalsContact C-N 3.28Å; S22-S24 PolarHBondContact OG-N 2.94Å; S22-S24 PolarHBondContact OG-O 3.41Å; S24-T61 VanDerWaalsContact CB-OG1 3.3Å; S24-T61 WeakPolarHBondContact CB-OG1 3.24Å; S24-T61 PolarHBondContact OG-OG1 3.02Å; S24-I62 CarbonylContact C-O 3.6Å; S24-I62 WeakPolarHBondContact CA-O 3.35Å
25I95.8Very high94Very high1 Ų167.5 Ų67.51%0.00536%0.361CS..EExtended strand (participates in β ladder)trans-108.2122.9174.2-67.3169000108.6F14 I17 D18 E29 L30 T61 I62 F67F14-I25 HydrophobicContact CD2-CD1 3.33Å; F14-I25 HydrophobicContact CD2-CG1 3.94Å; F14-I25 HydrophobicContact CE2-CD1 3.56Å; F14-I25 HydrophobicContact CE2-CG1 3.64Å; F14-I25 HydrophobicContact CG-CD1 4.08Å; F14-I25 HydrophobicContact CZ-CD1 4.43Å; F14-I25 HydrophobicContact CZ-CG1 4.16Å; I17-I25 HydrophobicContact CB-CD1 3.85Å; I17-I25 HydrophobicContact CB-CG1 4.32Å; I17-I25 HydrophobicContact CD1-CD1 4.33Å; I17-I25 HydrophobicContact CG2-CD1 3.75Å; I17-I25 HydrophobicContact CG2-CG1 3.91Å; I17-I25 HydrophobicContact CG2-CG2 3.79Å; D18-I25 HydrophobicContact CB-CG1 4.35Å; I25-E29 HydrophobicContact CG2-CB 4.05Å; I25-L30 HydrophobicContact CG2-CB 3.79Å; I25-T61 WeakPolarHBondContact O-CA 3.24Å; I25-I62 PolarHBondContact N-O 3.19Å; I25-I62 PolarHBondContact O-N 2.88Å; I25-F67 HydrophobicContact CD1-CD2 3.53Å; I25-F67 HydrophobicContact CD1-CE2 3.68Å; I25-F67 HydrophobicContact CD1-CG 4.15Å; I25-F67 HydrophobicContact CD1-CZ 4.4Å
26C94.3Very high93.8Very high38 Ų3862.3 Ų62.326%0.25733%0.334SS..  trans-88.9169.4172.269.40000112.4S28 E29 L30 T61C26-S28 VanDerWaalsContact C-N 3.28Å; C26-S28 PolarHBondContact O-N 2.94Å; C26-S28 PolarHBondContact SG-OG 3.22Å; C26-E29 PolarHBondContact N-OE2 3.21Å; C26-E29 PolarHBondContact O-N 3.09Å; C26-E29 PolarHBondContact SG-OE2 3.47Å; C26-L30 PolarHBondContact O-N 2.97Å; C26-T61 HydrophobicContact CB-CG2 4.37Å
27A94.6Very high93.5Very high29 Ų2957.9 Ų57.924%0.2433%0.327CS..Hα-helixtrans-55.7-38.6-178.600000113.9Q31 I44 I47 I51A27-Q31 VanDerWaalsContact O-CB 3.23Å; A27-Q31 WeakPolarHBondContact O-CB 3.36Å; A27-Q31 PolarHBondContact O-N 3.1Å; A27-I44 HydrophobicContact CB-CD1 4.3Å; A27-I47 HydrophobicContact CB-CG2 3.89Å; A27-I51 HydrophobicContact CB-CD1 3.75Å
28S94.7Very high93.3Very high62 Ų6257.7 Ų57.743%0.43433%0.326SS..Hα-helixtrans-71-36.8-179.563.70000112.5C26 Q32C26-S28 VanDerWaalsContact C-N 3.28Å; C26-S28 PolarHBondContact O-N 2.94Å; C26-S28 PolarHBondContact SG-OG 3.22Å; S28-Q32 VanDerWaalsContact O-CG 3.32Å; S28-Q32 WeakPolarHBondContact O-CG 3.11Å; S28-Q32 PolarHBondContact O-N 3.06Å; S28-Q32 VanDerWaalsContact O-N 3.09Å
29E95.2Very high93Very high23 Ų2361 Ų6111%0.10736%0.362CS..Hα-helixtrans-68-45175.6-72170.4142.100110.8I17 N20 I25 C26 Q31 Q32 A33I17-E29 HydrophobicContact CG2-CB 3.99Å; N20-E29 PolarHBondContact ND2-OE1 3.17Å; I25-E29 HydrophobicContact CG2-CB 4.05Å; C26-E29 PolarHBondContact N-OE2 3.21Å; C26-E29 PolarHBondContact O-N 3.09Å; C26-E29 PolarHBondContact SG-OE2 3.47Å; E29-Q31 VanDerWaalsContact C-N 3.35Å; E29-Q31 PolarHBondContact O-N 2.9Å; E29-Q32 PolarHBondContact O-N 3.45Å; E29-A33 WeakPolarHBondContact O-CB 3.43Å; E29-A33 PolarHBondContact O-N 2.98Å
30L95.3Very high93.2Very high4 Ų455 Ų552%0.02135%0.345CS..Hα-helixtrans-64.2-40175.9-170.359000111.9I25 C26 Q32 A33 L34 I47 I51 F67 L70I25-L30 HydrophobicContact CG2-CB 3.79Å; C26-L30 PolarHBondContact O-N 2.97Å; L30-Q32 VanDerWaalsContact C-N 3.31Å; L30-Q32 PolarHBondContact O-N 3.03Å; L30-A33 PolarHBondContact O-N 3.48Å; L30-L34 HydrophobicContact CD1-CD1 4.16Å; L30-L34 HydrophobicContact CD1-CG 4.31Å; L30-L34 HydrophobicContact CG-CD1 4.2Å; L30-L34 PolarHBondContact O-N 3.41Å; L30-I47 HydrophobicContact CB-CD1 4.46Å; L30-I47 HydrophobicContact CB-CG2 4.28Å; L30-I47 HydrophobicContact CD2-CD1 4.3Å; L30-I47 HydrophobicContact CD2-CG2 4.19Å; L30-I47 HydrophobicContact CG-CD1 3.98Å; L30-I47 HydrophobicContact CG-CG2 4.48Å; L30-I51 HydrophobicContact CD2-CD1 4.42Å; L30-I51 HydrophobicContact CD2-CG1 4.1Å; L30-F67 HydrophobicContact CD1-CE2 4.4Å; L30-L70 HydrophobicContact CD1-CD2 4.42Å; L30-L70 HydrophobicContact CD2-CD2 3.77Å
31Q96.3Very high93.4Very high48 Ų4854.3 Ų54.322%0.22435%0.348CS..Hα-helixtrans-61.1-39.8176.3-175.3-179.358.100112.1A27 E29 A33 F42 I47A27-Q31 VanDerWaalsContact O-CB 3.23Å; A27-Q31 WeakPolarHBondContact O-CB 3.36Å; A27-Q31 PolarHBondContact O-N 3.1Å; E29-Q31 VanDerWaalsContact C-N 3.35Å; E29-Q31 PolarHBondContact O-N 2.9Å; Q31-A33 VanDerWaalsContact C-N 3.32Å; Q31-F42 HydrophobicContact CG-CB 4.2Å; Q31-F42 WeakPolarHBondContact CG-O 3.47Å; Q31-F42 PolarHBondContact NE2-O 3.21Å; Q31-I47 HydrophobicContact CB-CD1 4.45Å; Q31-I47 HydrophobicContact CB-CG1 4.08Å; Q31-I47 HydrophobicContact CG-CG1 4.46Å
32Q94Very high93.6Very high121 Ų12143.6 Ų43.657%0.56531%0.308SS*.Hα-helixtrans-72.2-27.6177.2-73.317644.100112.7R19 S28 E29 L30R19-Q32 VanDerWaalsContact NH1-OE1 3.07Å; S28-Q32 VanDerWaalsContact O-CG 3.32Å; S28-Q32 WeakPolarHBondContact O-CG 3.11Å; S28-Q32 PolarHBondContact O-N 3.06Å; S28-Q32 VanDerWaalsContact O-N 3.09Å; E29-Q32 PolarHBondContact O-N 3.45Å; L30-Q32 VanDerWaalsContact C-N 3.31Å; L30-Q32 PolarHBondContact O-N 3.03Å
33A93.2Very high93.7Very high47 Ų4740.5 Ų40.539%0.38829%0.286SS..Hα-helixtrans-76.7-26.8-179.500000113.4I17 E29 L30 Q31I17-A33 HydrophobicContact CB-CB 4.38Å; I17-A33 HydrophobicContact CD1-CB 3.53Å; I17-A33 HydrophobicContact CG1-CB 3.56Å; I17-A33 HydrophobicContact CG2-CB 3.96Å; E29-A33 WeakPolarHBondContact O-CB 3.43Å; E29-A33 PolarHBondContact O-N 2.98Å; L30-A33 PolarHBondContact O-N 3.48Å; Q31-A33 VanDerWaalsContact C-N 3.32Å
34L94.1Very high93.7Very high32 Ų3241.6 Ų41.617%0.16828%0.281CS..  trans-100.6138.6-175.4-62.4179.3000112L30 F42 I47 M50 V74L30-L34 HydrophobicContact CD1-CD1 4.16Å; L30-L34 HydrophobicContact CD1-CG 4.31Å; L30-L34 HydrophobicContact CG-CD1 4.2Å; L30-L34 PolarHBondContact O-N 3.41Å; L34-F42 HydrophobicContact CB-CB 4.34Å; L34-F42 HydrophobicContact CB-CD2 3.42Å; L34-F42 VanDerWaalsContact CB-CD2 3.42Å; L34-F42 HydrophobicContact CB-CE2 3.71Å; L34-F42 HydrophobicContact CB-CG 3.9Å; L34-F42 HydrophobicContact CB-CZ 4.39Å; L34-F42 HydrophobicContact CD1-CD2 4.44Å; L34-F42 HydrophobicContact CD1-CE1 4.2Å; L34-F42 HydrophobicContact CD1-CE2 4.12Å; L34-F42 HydrophobicContact CD1-CZ 3.99Å; L34-I47 HydrophobicContact CD1-CD1 3.83Å; L34-M50 HydrophobicContact CD1-SD 4.33Å; L34-V74 HydrophobicContact CD2-CG1 4.28Å
35S93.2Very high93.6Very high88 Ų8846.5 Ų46.562%0.61530%0.299SS*.BIsolated β-bridgetrans-106.5140.4172178.40000110.5G37S35-G37 PolarHBondContact OG-N 2.78Å
36N91.4Very high93.6Very high1 Ų146.4 Ų46.41%0.00530%0.299CS..  trans-96.42175.264.414.7000114.3L38 T40 S41 F42 G129 F130 D131N36-L38 PolarHBondContact O-N 3.18Å; N36-L38 WeakPolarHBondContact OD1-CB 3.38Å; N36-L38 PolarHBondContact OD1-N 3.47Å; N36-T40 PolarHBondContact ND2-O 3.32Å; N36-T40 PolarHBondContact ND2-OG1 3.32Å; N36-T40 PolarHBondContact OD1-O 3.08Å; N36-S41 PolarHBondContact ND2-O 3.39Å; N36-F42 HydrophobicContact CB-CD2 4.19Å; N36-G129 VanDerWaalsContact O-CA 3.31Å; N36-G129 WeakPolarHBondContact O-CA 3.2Å; N36-F130 PolarHBondContact O-N 3.08Å; N36-D131 HydrophobicContact CB-CB 4.01Å; N36-D131 VanDerWaalsContact CB-OD1 3.29Å; N36-D131 WeakPolarHBondContact CB-OD1 3.44Å; N36-D131 WeakPolarHBondContact CB-OD2 3.48Å; N36-D131 PolarHBondContact ND2-OD2 3.35Å
37G87.5Confident93.7Very high50 Ų5044.6 Ų44.652%0.51529%0.287SS..SBendtrans79-13.1-17700000114.8S35S35-G37 PolarHBondContact OG-N 2.78Å
38L88.7Confident93.7Very high15 Ų1548.3 Ų48.38%0.07930%0.299CS..SBendtrans-91.9-5.4-176.1-65.3172.3000114.1N36 T40 T91 R125N36-L38 PolarHBondContact O-N 3.18Å; N36-L38 WeakPolarHBondContact OD1-CB 3.38Å; N36-L38 PolarHBondContact OD1-N 3.47Å; L38-T40 VanDerWaalsContact C-N 3.28Å; L38-T91 HydrophobicContact CD2-CG2 3.4Å; L38-T91 VanDerWaalsContact CD2-CG2 3.4Å; L38-T91 HydrophobicContact CG-CG2 4.3Å; L38-R125 PolarHBondContact O-NH1 3.5Å
39G89.2Confident93.5Very high79 Ų7947.2 Ų47.281%0.81429%0.288SS*.SBendtrans73.518.9-172.700000113.6
40T93.2Very high93.5Very high51 Ų5146.1 Ų46.131%0.31328%0.283SS..SBendtrans-115.3164.5176.457.90000109.8N36 L38 F42N36-T40 PolarHBondContact ND2-O 3.32Å; N36-T40 PolarHBondContact ND2-OG1 3.32Å; N36-T40 PolarHBondContact OD1-O 3.08Å; L38-T40 VanDerWaalsContact C-N 3.28Å; T40-F42 PolarHBondContact O-N 2.86Å
41S95Very high93.4Very high87 Ų8746.5 Ų46.561%0.60829%0.285SS*.BIsolated β-bridgetrans-57.9138.2173.257.80000110.7N36 N43N36-S41 PolarHBondContact ND2-O 3.39Å; S41-N43 PolarHBondContact O-N 3.45Å
42F96.2Very high93.2Very high1 Ų148.9 Ų48.90%0.00431%0.306CS..PPolyproline II helixtrans-54.8137.3173-156.1-85.4000110.7Q31 L34 N36 T40 I44 T46 I47 M50 F130 D131 I134Q31-F42 HydrophobicContact CG-CB 4.2Å; Q31-F42 WeakPolarHBondContact CG-O 3.47Å; Q31-F42 PolarHBondContact NE2-O 3.21Å; L34-F42 HydrophobicContact CB-CB 4.34Å; L34-F42 HydrophobicContact CB-CD2 3.42Å; L34-F42 VanDerWaalsContact CB-CD2 3.42Å; L34-F42 HydrophobicContact CB-CE2 3.71Å; L34-F42 HydrophobicContact CB-CG 3.9Å; L34-F42 HydrophobicContact CB-CZ 4.39Å; L34-F42 HydrophobicContact CD1-CD2 4.44Å; L34-F42 HydrophobicContact CD1-CE1 4.2Å; L34-F42 HydrophobicContact CD1-CE2 4.12Å; L34-F42 HydrophobicContact CD1-CZ 3.99Å; N36-F42 HydrophobicContact CB-CD2 4.19Å; T40-F42 PolarHBondContact O-N 2.86Å; F42-I44 PolarHBondContact O-N 2.91Å; F42-I44 VanDerWaalsContact O-N 3.08Å; F42-T46 HydrophobicContact CE1-CG2 3.64Å; F42-T46 HydrophobicContact CZ-CG2 4.24Å; F42-I47 HydrophobicContact CD1-CD1 3.47Å; F42-I47 VanDerWaalsContact CD1-CD1 3.47Å; F42-I47 HydrophobicContact CD1-CG1 3.76Å; F42-I47 HydrophobicContact CE1-CD1 3.86Å; F42-I47 HydrophobicContact CE1-CG1 4.37Å; F42-I47 HydrophobicContact CG-CD1 4.18Å; F42-M50 HydrophobicContact CZ-CE 4.3Å; F42-F130 AromaticContact CE2-CD1 3.84Å; F42-F130 HydrophobicContact CE2-CD1 3.84Å; F42-F130 HydrophobicContact CE2-CE1 4.32Å; F42-F130 HydrophobicContact CZ-CD1 4.27Å; F42-F130 HydrophobicContact CZ-CE1 4.47Å; F42-D131 HydrophobicContact CD1-CB 3.55Å; F42-D131 HydrophobicContact CD2-CB 3.75Å; F42-D131 HydrophobicContact CE1-CB 3.42Å; F42-D131 VanDerWaalsContact CE1-CB 3.42Å; F42-D131 HydrophobicContact CE2-CB 3.6Å; F42-D131 HydrophobicContact CG-CB 3.74Å; F42-D131 HydrophobicContact CZ-CB 3.44Å; F42-D131 VanDerWaalsContact CZ-CB 3.44Å; F42-I134 HydrophobicContact CZ-CD1 4.46Å
43N95.4Very high93Very high8 Ų847.4 Ų47.44%0.04330%0.3CS..PPolyproline II helixtrans-59.2116.9-176.8-176.2-5.4000110.7S41 K45 T46 I47 K122 D131 N132 L135S41-N43 PolarHBondContact O-N 3.45Å; N43-K45 PolarHBondContact O-N 2.96Å; N43-K45 PolarHBondContact OD1-N 2.63Å; N43-K45 VanDerWaalsContact OD1-N 3.15Å; N43-T46 WeakPolarHBondContact O-CA 3.49Å; N43-T46 VanDerWaalsContact O-CB 3.32Å; N43-T46 WeakPolarHBondContact O-CB 3.38Å; N43-T46 PolarHBondContact O-N 3.35Å; N43-I47 PolarHBondContact O-N 2.83Å; N43-K122 PolarHBondContact ND2-NZ 3.01Å; N43-K122 PolarHBondContact OD1-NZ 3Å; N43-D131 HydrophobicContact CB-CB 4.02Å; N43-D131 WeakPolarHBondContact CB-OD2 3.28Å; N43-D131 PolarHBondContact N-OD2 2.82Å; N43-N132 PolarHBondContact ND2-OD1 3.43Å; N43-L135 VanDerWaalsContact ND2-CD2 3.34Å; N43-L135 WeakPolarHBondContact ND2-CD2 3.46Å
44I95.3Very high92.9Very high61 Ų6146.4 Ų46.431%0.31329%0.287SS..Hα-helixtrans-58.1-33.2-176.7-167.362.7000112.5A27 F42 T46 I47 E48A27-I44 HydrophobicContact CB-CD1 4.3Å; F42-I44 PolarHBondContact O-N 2.91Å; F42-I44 VanDerWaalsContact O-N 3.08Å; I44-T46 VanDerWaalsContact C-N 3.26Å; I44-T46 PolarHBondContact O-N 2.69Å; I44-I47 HydrophobicContact CD1-CB 4.24Å; I44-I47 HydrophobicContact CD1-CG2 4.38Å; I44-I47 WeakPolarHBondContact O-CA 3.44Å; I44-I47 WeakPolarHBondContact O-CB 3.49Å; I44-I47 PolarHBondContact O-N 3.48Å; I44-E48 HydrophobicContact CG1-CG 4.36Å; I44-E48 WeakPolarHBondContact O-CG 3.26Å; I44-E48 PolarHBondContact O-N 3.37Å
45K93.8Very high92.8Very high130 Ų13046 Ų4657%0.56529%0.285SS*.Hα-helixtrans-64.4-33.4176.6-64.5-169.1174.4-166.50112.5N43 L49 L135N43-K45 PolarHBondContact O-N 2.96Å; N43-K45 PolarHBondContact OD1-N 2.63Å; N43-K45 VanDerWaalsContact OD1-N 3.15Å; K45-L49 VanDerWaalsContact O-CB 3.23Å; K45-L49 WeakPolarHBondContact O-CB 3.48Å; K45-L49 PolarHBondContact O-N 3.49Å; K45-L135 HydrophobicContact CB-CD1 4.5Å; K45-L135 HydrophobicContact CB-CD2 4.05Å
46T95.5Very high92.6Very high0 Ų048.6 Ų48.60%029%0.285CS..Hα-helixtrans-70.8-36.8174.8-470000110.4F42 N43 I44 M50 D131 I134 L135F42-T46 HydrophobicContact CE1-CG2 3.64Å; F42-T46 HydrophobicContact CZ-CG2 4.24Å; N43-T46 WeakPolarHBondContact O-CA 3.49Å; N43-T46 VanDerWaalsContact O-CB 3.32Å; N43-T46 WeakPolarHBondContact O-CB 3.38Å; N43-T46 PolarHBondContact O-N 3.35Å; I44-T46 VanDerWaalsContact C-N 3.26Å; I44-T46 PolarHBondContact O-N 2.69Å; T46-M50 HydrophobicContact CG2-CE 3.96Å; T46-M50 WeakPolarHBondContact O-CB 3.27Å; T46-M50 VanDerWaalsContact O-CG 3.25Å; T46-M50 WeakPolarHBondContact O-CG 3.12Å; T46-M50 PolarHBondContact O-N 2.93Å; T46-D131 VanDerWaalsContact CG2-O 3.31Å; T46-D131 WeakPolarHBondContact CG2-O 3.35Å; T46-D131 PolarHBondContact OG1-O 3.25Å; T46-I134 HydrophobicContact CG2-CB 4.06Å; T46-I134 HydrophobicContact CG2-CG2 3.97Å; T46-L135 WeakPolarHBondContact OG1-CB 3.32Å
47I95.8Very high92.5Very high0 Ų052.8 Ų52.80%031%0.307CS..Hα-helixtrans-64.2-50.3174.3-61.5-63.2000111A27 L30 Q31 L34 F42 N43 I44 L49 M50 I51A27-I47 HydrophobicContact CB-CG2 3.89Å; L30-I47 HydrophobicContact CB-CD1 4.46Å; L30-I47 HydrophobicContact CB-CG2 4.28Å; L30-I47 HydrophobicContact CD2-CD1 4.3Å; L30-I47 HydrophobicContact CD2-CG2 4.19Å; L30-I47 HydrophobicContact CG-CD1 3.98Å; L30-I47 HydrophobicContact CG-CG2 4.48Å; Q31-I47 HydrophobicContact CB-CD1 4.45Å; Q31-I47 HydrophobicContact CB-CG1 4.08Å; Q31-I47 HydrophobicContact CG-CG1 4.46Å; L34-I47 HydrophobicContact CD1-CD1 3.83Å; F42-I47 HydrophobicContact CD1-CD1 3.47Å; F42-I47 VanDerWaalsContact CD1-CD1 3.47Å; F42-I47 HydrophobicContact CD1-CG1 3.76Å; F42-I47 HydrophobicContact CE1-CD1 3.86Å; F42-I47 HydrophobicContact CE1-CG1 4.37Å; F42-I47 HydrophobicContact CG-CD1 4.18Å; N43-I47 PolarHBondContact O-N 2.83Å; I44-I47 HydrophobicContact CD1-CB 4.24Å; I44-I47 HydrophobicContact CD1-CG2 4.38Å; I44-I47 WeakPolarHBondContact O-CA 3.44Å; I44-I47 WeakPolarHBondContact O-CB 3.49Å; I44-I47 PolarHBondContact O-N 3.48Å; I47-L49 VanDerWaalsContact C-N 3.31Å; I47-L49 PolarHBondContact O-N 2.96Å; I47-M50 WeakPolarHBondContact O-CB 3.4Å; I47-M50 PolarHBondContact O-N 3.05Å; I47-M50 VanDerWaalsContact O-N 3.13Å; I47-I51 HydrophobicContact CG2-CD1 3.85Å; I47-I51 HydrophobicContact CG2-CG1 4.45Å; I47-I51 WeakPolarHBondContact O-CG1 3.28Å; I47-I51 PolarHBondContact O-N 3.15Å
48E93.9Very high92.6Very high106 Ų10658.2 Ų58.250%0.49532%0.321SS..Hα-helixtrans-58.3-45.1178.4-70.5165.6164.100111I44 M50 I51 C52I44-E48 HydrophobicContact CG1-CG 4.36Å; I44-E48 WeakPolarHBondContact O-CG 3.26Å; I44-E48 PolarHBondContact O-N 3.37Å; E48-M50 PolarHBondContact O-N 2.88Å; E48-I51 PolarHBondContact O-N 3.24Å; E48-C52 VanDerWaalsContact O-CB 3.26Å; E48-C52 WeakPolarHBondContact O-CB 3.49Å; E48-C52 PolarHBondContact O-N 3.28Å
49L92.1Very high92.8Very high39 Ų3961.2 Ų61.220%0.20434%0.337CS..Hα-helixtrans-57.4-49.3173.2175.574.5000111.7K45 I47 I51 C52 M53 L135 V138K45-L49 VanDerWaalsContact O-CB 3.23Å; K45-L49 WeakPolarHBondContact O-CB 3.48Å; K45-L49 PolarHBondContact O-N 3.49Å; I47-L49 VanDerWaalsContact C-N 3.31Å; I47-L49 PolarHBondContact O-N 2.96Å; L49-I51 PolarHBondContact O-N 3.36Å; L49-C52 PolarHBondContact O-N 2.93Å; L49-M53 HydrophobicContact CG-SD 4.37Å; L49-M53 VanDerWaalsContact O-CG 3.3Å; L49-M53 WeakPolarHBondContact O-CG 3.41Å; L49-M53 PolarHBondContact O-N 3.36Å; L49-M53 VanDerWaalsContact O-N 3.12Å; L49-L135 HydrophobicContact CD2-CD1 4.15Å; L49-V138 HydrophobicContact CD1-CG1 3.97Å; L49-V138 HydrophobicContact CD2-CB 3.81Å; L49-V138 HydrophobicContact CD2-CG1 3.69Å; L49-V138 HydrophobicContact CD2-CG2 4.09Å; L49-V138 HydrophobicContact CG-CG1 4.34Å
50M94.3Very high92.8Very high1 Ų159.5 Ų59.51%0.00532%0.32CS..Hα-helixtrans-61-43.7179.1-79.8-178-17700111.7L34 F42 T46 I47 E48 M53 F54 L70 Y73 V74 I134L34-M50 HydrophobicContact CD1-SD 4.33Å; F42-M50 HydrophobicContact CZ-CE 4.3Å; T46-M50 HydrophobicContact CG2-CE 3.96Å; T46-M50 WeakPolarHBondContact O-CB 3.27Å; T46-M50 VanDerWaalsContact O-CG 3.25Å; T46-M50 WeakPolarHBondContact O-CG 3.12Å; T46-M50 PolarHBondContact O-N 2.93Å; I47-M50 WeakPolarHBondContact O-CB 3.4Å; I47-M50 PolarHBondContact O-N 3.05Å; I47-M50 VanDerWaalsContact O-N 3.13Å; E48-M50 PolarHBondContact O-N 2.88Å; M50-M53 PolarHBondContact O-N 3.26Å; M50-F54 VanDerWaalsContact O-CD2 3.3Å; M50-F54 WeakPolarHBondContact O-CD2 3.4Å; M50-L70 HydrophobicContact CB-CD1 3.77Å; M50-L70 HydrophobicContact CG-CD1 4.13Å; M50-L70 HydrophobicContact SD-CD1 4.25Å; M50-Y73 HydrophobicContact CG-CE1 4.37Å; M50-V74 HydrophobicContact CE-CG2 4.11Å; M50-V74 HydrophobicContact SD-CG2 3.95Å; M50-I134 HydrophobicContact CE-CD1 3.43Å; M50-I134 VanDerWaalsContact CE-CD1 3.43Å; M50-I134 HydrophobicContact CE-CG2 4.05Å
51I93.6Very high92.9Very high11 Ų1158.8 Ų58.86%0.05632%0.316CS..Hα-helixtrans-63.2-50.1177.7-69.8173.4000109.9A27 L30 I47 E48 L49 M53 F54 D55 I62A27-I51 HydrophobicContact CB-CD1 3.75Å; L30-I51 HydrophobicContact CD2-CD1 4.42Å; L30-I51 HydrophobicContact CD2-CG1 4.1Å; I47-I51 HydrophobicContact CG2-CD1 3.85Å; I47-I51 HydrophobicContact CG2-CG1 4.45Å; I47-I51 WeakPolarHBondContact O-CG1 3.28Å; I47-I51 PolarHBondContact O-N 3.15Å; E48-I51 PolarHBondContact O-N 3.24Å; L49-I51 PolarHBondContact O-N 3.36Å; I51-M53 PolarHBondContact O-N 3.16Å; I51-M53 VanDerWaalsContact O-N 3.07Å; I51-F54 PolarHBondContact O-N 2.99Å; I51-D55 HydrophobicContact CG2-CB 4.09Å; I51-D55 VanDerWaalsContact O-CB 3.25Å; I51-D55 WeakPolarHBondContact O-CB 3.12Å; I51-D55 PolarHBondContact O-N 3.47Å; I51-I62 HydrophobicContact CB-CD1 4.41Å; I51-I62 HydrophobicContact CB-CG1 4.33Å; I51-I62 HydrophobicContact CG1-CG1 3.91Å; I51-I62 HydrophobicContact CG2-CD1 4.07Å; I51-I62 HydrophobicContact CG2-CG1 4.12Å
52C91.2Very high92.8Very high98 Ų9854.6 Ų54.666%0.66229%0.287SS*.Hα-helixtrans-57-28.7-179.6-173.40000113.5E48 L49E48-C52 VanDerWaalsContact O-CB 3.26Å; E48-C52 WeakPolarHBondContact O-CB 3.49Å; E48-C52 PolarHBondContact O-N 3.28Å; L49-C52 PolarHBondContact O-N 2.93Å
53M90.1Very high92.8Very high91 Ų9156.5 Ų56.545%0.44830%0.297SS..Hα-helixtrans-74.6-23.1178.2-73.4177.667.900114L49 M50 I51 Y73L49-M53 HydrophobicContact CG-SD 4.37Å; L49-M53 VanDerWaalsContact O-CG 3.3Å; L49-M53 WeakPolarHBondContact O-CG 3.41Å; L49-M53 PolarHBondContact O-N 3.36Å; L49-M53 VanDerWaalsContact O-N 3.12Å; M50-M53 PolarHBondContact O-N 3.26Å; I51-M53 PolarHBondContact O-N 3.16Å; I51-M53 VanDerWaalsContact O-N 3.07Å; M53-Y73 HydrophobicContact CE-CE2 3.89Å; M53-Y73 HydrophobicContact SD-CE1 4.47Å
54F91.9Very high92.6Very high26 Ų2657.7 Ų57.711%0.11430%0.303CS..Hα-helixtrans-124.9-16.2-171.1-65.5-77.9000114.6M50 I51 K56 I62 E66 Q69 L70 Y73M50-F54 VanDerWaalsContact O-CD2 3.3Å; M50-F54 WeakPolarHBondContact O-CD2 3.4Å; I51-F54 PolarHBondContact O-N 2.99Å; F54-K56 PolarHBondContact O-N 2.88Å; F54-I62 HydrophobicContact CB-CD1 4.1Å; F54-E66 WeakPolarHBondContact O-CG 3.46Å; F54-Q69 HydrophobicContact CD1-CB 3.59Å; F54-Q69 HydrophobicContact CE1-CB 3.63Å; F54-L70 HydrophobicContact CB-CB 4.49Å; F54-L70 HydrophobicContact CD2-CB 3.87Å; F54-L70 HydrophobicContact CD2-CD1 3.71Å; F54-L70 HydrophobicContact CD2-CG 4.37Å; F54-L70 HydrophobicContact CE2-CB 4.29Å; F54-L70 HydrophobicContact CE2-CD1 3.86Å; F54-L70 HydrophobicContact CG-CB 4.1Å; F54-Y73 AromaticContact CE2-CD1 3.91Å; F54-Y73 HydrophobicContact CE2-CD1 3.91Å; F54-Y73 HydrophobicContact CE2-CD2 4.47Å; F54-Y73 AromaticContact CE2-CG 3.87Å; F54-Y73 HydrophobicContact CE2-CG 3.87Å; F54-Y73 HydrophobicContact CZ-CD1 4.29Å; F54-Y73 HydrophobicContact CZ-CD2 4.11Å; F54-Y73 AromaticContact CZ-CG 3.76Å; F54-Y73 HydrophobicContact CZ-CG 3.76Å
55D91.6Very high92.5Very high23 Ų2357.1 Ų57.112%0.12330%0.304CS..  trans-69.293.8172.9177.96.6000109.9I51 M58 N59 G60 I62I51-D55 HydrophobicContact CG2-CB 4.09Å; I51-D55 VanDerWaalsContact O-CB 3.25Å; I51-D55 WeakPolarHBondContact O-CB 3.12Å; I51-D55 PolarHBondContact O-N 3.47Å; D55-M58 VanDerWaalsContact OD1-CA 3.24Å; D55-M58 WeakPolarHBondContact OD1-CA 3.36Å; D55-M58 PolarHBondContact OD1-N 3.35Å; D55-M58 WeakPolarHBondContact OD2-CA 3.37Å; D55-N59 PolarHBondContact OD1-N 2.92Å; D55-N59 PolarHBondContact OD2-N 2.9Å; D55-G60 VanDerWaalsContact OD2-CA 3.27Å; D55-G60 WeakPolarHBondContact OD2-CA 3.41Å; D55-G60 PolarHBondContact OD2-N 2.93Å; D55-I62 HydrophobicContact CB-CD1 3.95Å
56K89.3Confident92.4Very high143 Ų14351.3 Ų51.362%0.62228%0.278SS*.SBendtrans-83.8-27.3-173.8-69.2-179.8-173.5179.20112.2F54 E66 Q69F54-K56 PolarHBondContact O-N 2.88Å; K56-E66 PolarHBondContact N-OE1 3.39Å; K56-Q69 VanDerWaalsContact NZ-OE1 3.1Å
57D90.1Very high92.4Very high88 Ų8851.5 Ų51.547%0.47128%0.28SS..SBendtrans-90.5-5.117872.48.7000113N59D57-N59 VanDerWaalsContact C-N 3.26Å; D57-N59 VanDerWaalsContact CG-ND2 3.25Å; D57-N59 PolarHBondContact O-N 3.35Å; D57-N59 VanDerWaalsContact OD1-CB 3.27Å; D57-N59 WeakPolarHBondContact OD1-CB 3.37Å; D57-N59 PolarHBondContact OD1-N 3.38Å; D57-N59 VanDerWaalsContact OD1-N 3.1Å; D57-N59 PolarHBondContact OD1-ND2 3.26Å; D57-N59 PolarHBondContact OD2-ND2 2.99Å
58M88.7Confident92.3Very high164 Ų16451.9 Ų51.981%0.80828%0.282SS*.  trans60.731.3177-56.1-178.6-73.600113.1D55 G60D55-M58 VanDerWaalsContact OD1-CA 3.24Å; D55-M58 WeakPolarHBondContact OD1-CA 3.36Å; D55-M58 PolarHBondContact OD1-N 3.35Å; D55-M58 WeakPolarHBondContact OD2-CA 3.37Å; M58-G60 VanDerWaalsContact C-N 3.3Å
59N92Very high92.2Very high78 Ų7850.3 Ų50.342%0.41728%0.275SS..SBendtrans-84.9-3.8-179.975.626.5000113.2D55 D57 T61D55-N59 PolarHBondContact OD1-N 2.92Å; D55-N59 PolarHBondContact OD2-N 2.9Å; D57-N59 VanDerWaalsContact C-N 3.26Å; D57-N59 VanDerWaalsContact CG-ND2 3.25Å; D57-N59 PolarHBondContact O-N 3.35Å; D57-N59 VanDerWaalsContact OD1-CB 3.27Å; D57-N59 WeakPolarHBondContact OD1-CB 3.37Å; D57-N59 PolarHBondContact OD1-N 3.38Å; D57-N59 VanDerWaalsContact OD1-N 3.1Å; D57-N59 PolarHBondContact OD1-ND2 3.26Å; D57-N59 PolarHBondContact OD2-ND2 2.99Å; N59-T61 VanDerWaalsContact C-N 3.35Å; N59-T61 VanDerWaalsContact OD1-CA 3.32Å; N59-T61 WeakPolarHBondContact OD1-CA 3.41Å; N59-T61 WeakPolarHBondContact OD1-CB 3.39Å; N59-T61 PolarHBondContact OD1-N 2.94Å; N59-T61 PolarHBondContact OD1-O 2.88Å; N59-T61 PolarHBondContact OD1-OG1 3.42Å
60G90.7Very high92.3Very high44 Ų4448.5 Ų48.545%0.45427%0.265SS..SBendtrans82.97.8-179.500000114.5D55 M58D55-G60 VanDerWaalsContact OD2-CA 3.27Å; D55-G60 WeakPolarHBondContact OD2-CA 3.41Å; D55-G60 PolarHBondContact OD2-N 2.93Å; M58-G60 VanDerWaalsContact C-N 3.3Å
61T94.1Very high92.3Very high35 Ų3550.4 Ų50.422%0.21527%0.274CS..SBendtrans-133.6165.5-179.673.80000110.4S24 I25 C26 N59S24-T61 VanDerWaalsContact CB-OG1 3.3Å; S24-T61 WeakPolarHBondContact CB-OG1 3.24Å; S24-T61 PolarHBondContact OG-OG1 3.02Å; I25-T61 WeakPolarHBondContact O-CA 3.24Å; C26-T61 HydrophobicContact CB-CG2 4.37Å; N59-T61 VanDerWaalsContact C-N 3.35Å; N59-T61 VanDerWaalsContact OD1-CA 3.32Å; N59-T61 WeakPolarHBondContact OD1-CA 3.41Å; N59-T61 WeakPolarHBondContact OD1-CB 3.39Å; N59-T61 PolarHBondContact OD1-N 2.94Å; N59-T61 PolarHBondContact OD1-O 2.88Å; N59-T61 PolarHBondContact OD1-OG1 3.42Å
62I94.3Very high92.4Very high0 Ų054.8 Ų54.80%029%0.294CS..EExtended strand (participates in β ladder)trans-115.2114.8-177.7-64.5-64.2000109.2S24 I25 I51 F54 D55 E66 F67 L70S24-I62 CarbonylContact C-O 3.6Å; S24-I62 WeakPolarHBondContact CA-O 3.35Å; I25-I62 PolarHBondContact N-O 3.19Å; I25-I62 PolarHBondContact O-N 2.88Å; I51-I62 HydrophobicContact CB-CD1 4.41Å; I51-I62 HydrophobicContact CB-CG1 4.33Å; I51-I62 HydrophobicContact CG1-CG1 3.91Å; I51-I62 HydrophobicContact CG2-CD1 4.07Å; I51-I62 HydrophobicContact CG2-CG1 4.12Å; F54-I62 HydrophobicContact CB-CD1 4.1Å; D55-I62 HydrophobicContact CB-CD1 3.95Å; I62-E66 HydrophobicContact CD1-CB 4.26Å; I62-E66 HydrophobicContact CG2-CB 3.78Å; I62-F67 HydrophobicContact CG2-CB 3.73Å; I62-F67 HydrophobicContact CG2-CD2 4.3Å; I62-F67 VanDerWaalsContact CG2-N 3.28Å; I62-L70 HydrophobicContact CG1-CD2 4.43Å; I62-L70 HydrophobicContact CG2-CD2 4.31Å
63N94.5Very high92.5Very high41 Ų4151.8 Ų51.822%0.21927%0.269CS..EExtended strand (participates in β ladder)trans-77.7173172.168.752.5000111.3C65 E66 F67N63-C65 VanDerWaalsContact C-N 3.32Å; N63-C65 PolarHBondContact O-N 3.41Å; N63-C65 WeakPolarHBondContact OD1-CB 3.45Å; N63-C65 PolarHBondContact OD1-N 2.92Å; N63-E66 VanDerWaalsContact CG-OE2 3.22Å; N63-E66 PolarHBondContact N-OE2 3.02Å; N63-E66 PolarHBondContact ND2-OE1 3.35Å; N63-E66 PolarHBondContact ND2-OE2 3.24Å; N63-E66 PolarHBondContact O-N 3.38Å; N63-E66 WeakPolarHBondContact OD1-CG 3.49Å; N63-E66 PolarHBondContact OD1-N 3.33Å; N63-E66 VanDerWaalsContact OD1-N 3.08Å; N63-F67 WeakPolarHBondContact O-CB 3.34Å; N63-F67 PolarHBondContact O-N 3.5Å
64I92.7Very high92.8Very high32 Ų3247.8 Ų47.816%0.16425%0.25CC..Hα-helixtrans-60.1-34.4-176.5-178.560.8000114.7V6 A11 F14 S68V6-I64 HydrophobicContact CG1-CD1 3.91Å; V6-I64 HydrophobicContact CG1-CG1 3.81Å; V6-I64 HydrophobicContact CG2-CG1 4.08Å; A11-I64 HydrophobicContact CB-CD1 4.26Å; F14-I64 HydrophobicContact CB-CD1 3.53Å; F14-I64 HydrophobicContact CD1-CD1 4.07Å; F14-I64 HydrophobicContact CD2-CB 4.32Å; F14-I64 HydrophobicContact CD2-CD1 3.87Å; F14-I64 HydrophobicContact CE1-CB 4.47Å; F14-I64 HydrophobicContact CE2-CB 4.27Å; F14-I64 HydrophobicContact CG-CB 4.44Å; F14-I64 HydrophobicContact CG-CD1 3.54Å; F14-I64 HydrophobicContact CZ-CB 4.36Å; I64-S68 PolarHBondContact O-N 3.19Å; I64-S68 VanDerWaalsContact O-N 3.12Å; I64-S68 PolarHBondContact O-OG 3Å
65C91.6Very high93Very high50 Ų5050 Ų5034%0.33826%0.26SS..Hα-helixtrans-69.5-39.5178.4-76.30000111.6Q3 N63 Q69Q3-C65 PolarHBondContact OE1-SG 2.96Å; N63-C65 VanDerWaalsContact C-N 3.32Å; N63-C65 PolarHBondContact O-N 3.41Å; N63-C65 WeakPolarHBondContact OD1-CB 3.45Å; N63-C65 PolarHBondContact OD1-N 2.92Å; C65-Q69 PolarHBondContact O-NE2 3.32Å; C65-Q69 VanDerWaalsContact O-NE2 3.11Å
66E93.3Very high93.2Very high7 Ų754.6 Ų54.63%0.03328%0.281CS..Hα-helixtrans-72.1-41175.8-64.1166.8158.600110.7F54 K56 I62 N63 S68 Q69 L70F54-E66 WeakPolarHBondContact O-CG 3.46Å; K56-E66 PolarHBondContact N-OE1 3.39Å; I62-E66 HydrophobicContact CD1-CB 4.26Å; I62-E66 HydrophobicContact CG2-CB 3.78Å; N63-E66 VanDerWaalsContact CG-OE2 3.22Å; N63-E66 PolarHBondContact N-OE2 3.02Å; N63-E66 PolarHBondContact ND2-OE1 3.35Å; N63-E66 PolarHBondContact ND2-OE2 3.24Å; N63-E66 PolarHBondContact O-N 3.38Å; N63-E66 WeakPolarHBondContact OD1-CG 3.49Å; N63-E66 PolarHBondContact OD1-N 3.33Å; N63-E66 VanDerWaalsContact OD1-N 3.08Å; E66-S68 PolarHBondContact O-N 3.32Å; E66-Q69 PolarHBondContact O-N 2.88Å; E66-Q69 VanDerWaalsContact O-N 3.14Å; E66-L70 PolarHBondContact O-N 2.78Å
67F94.3Very high93.6Very high5 Ų549.7 Ų49.72%0.02226%0.258CS..Hα-helixtrans-59.4-35.9177.8-174.2-101.4000112.1A10 V13 F14 I17 I25 L30 I62 N63 Q69 L70 F71A10-F67 HydrophobicContact CB-CD1 4.4Å; A10-F67 WeakPolarHBondContact O-CE1 3.31Å; V13-F67 HydrophobicContact CB-CE1 4.17Å; V13-F67 HydrophobicContact CB-CZ 4.39Å; V13-F67 HydrophobicContact CG1-CE1 4.07Å; V13-F67 HydrophobicContact CG1-CZ 3.78Å; F14-F67 HydrophobicContact CB-CD1 3.79Å; F14-F67 HydrophobicContact CB-CE1 4.03Å; F14-F67 HydrophobicContact CB-CG 4.39Å; F14-F67 HydrophobicContact CD2-CB 3.63Å; F14-F67 AromaticContact CD2-CD1 3.9Å; F14-F67 HydrophobicContact CD2-CD1 3.9Å; F14-F67 HydrophobicContact CD2-CD2 4.22Å; F14-F67 AromaticContact CD2-CG 3.64Å; F14-F67 HydrophobicContact CD2-CG 3.64Å; F14-F67 HydrophobicContact CE2-CB 4.13Å; F14-F67 HydrophobicContact CE2-CG 4.49Å; F14-F67 HydrophobicContact CG-CD1 4.36Å; I17-F67 HydrophobicContact CD1-CE2 3.92Å; I17-F67 HydrophobicContact CD1-CZ 3.76Å; I25-F67 HydrophobicContact CD1-CD2 3.53Å; I25-F67 HydrophobicContact CD1-CE2 3.68Å; I25-F67 HydrophobicContact CD1-CG 4.15Å; I25-F67 HydrophobicContact CD1-CZ 4.4Å; L30-F67 HydrophobicContact CD1-CE2 4.4Å; I62-F67 HydrophobicContact CG2-CB 3.73Å; I62-F67 HydrophobicContact CG2-CD2 4.3Å; I62-F67 VanDerWaalsContact CG2-N 3.28Å; N63-F67 WeakPolarHBondContact O-CB 3.34Å; N63-F67 PolarHBondContact O-N 3.5Å; F67-Q69 VanDerWaalsContact C-N 3.32Å; F67-Q69 PolarHBondContact O-N 3.48Å; F67-L70 HydrophobicContact CD2-CD2 4.27Å; F67-L70 PolarHBondContact O-N 3.32Å; F67-F71 HydrophobicContact CD1-CB 4.31Å; F67-F71 HydrophobicContact CE1-CB 4Å; F67-F71 HydrophobicContact CE1-CD2 4.06Å; F67-F71 HydrophobicContact CE1-CG 4.29Å; F67-F71 HydrophobicContact CZ-CB 4.34Å; F67-F71 HydrophobicContact CZ-CD2 4.08Å; F67-F71 WeakPolarHBondContact O-CB 3.35Å; F67-F71 PolarHBondContact O-N 3.4Å
68S93.4Very high93.8Very high7 Ų747.9 Ų47.95%0.04925%0.247CC..Hα-helixtrans-60.7-43.3178.6-60.60000111.7V6 I64 E66 E72V6-S68 WeakPolarHBondContact CG1-OG 3.37Å; I64-S68 PolarHBondContact O-N 3.19Å; I64-S68 VanDerWaalsContact O-N 3.12Å; I64-S68 PolarHBondContact O-OG 3Å; E66-S68 PolarHBondContact O-N 3.32Å; S68-E72 WeakPolarHBondContact O-CG 3.23Å; S68-E72 PolarHBondContact O-N 3.12Å
69Q92.7Very high94.2Very high73 Ų7346.7 Ų46.734%0.34124%0.24SC..Hα-helixtrans-69.7-43.2175.9-70.6159.685.800111.5F54 K56 C65 E66 F67 F71 E72 Y73F54-Q69 HydrophobicContact CD1-CB 3.59Å; F54-Q69 HydrophobicContact CE1-CB 3.63Å; K56-Q69 VanDerWaalsContact NZ-OE1 3.1Å; C65-Q69 PolarHBondContact O-NE2 3.32Å; C65-Q69 VanDerWaalsContact O-NE2 3.11Å; E66-Q69 PolarHBondContact O-N 2.88Å; E66-Q69 VanDerWaalsContact O-N 3.14Å; F67-Q69 VanDerWaalsContact C-N 3.32Å; F67-Q69 PolarHBondContact O-N 3.48Å; Q69-F71 VanDerWaalsContact C-N 3.31Å; Q69-F71 PolarHBondContact O-N 2.81Å; Q69-E72 PolarHBondContact O-N 2.94Å; Q69-Y73 WeakPolarHBondContact O-CB 3.37Å; Q69-Y73 PolarHBondContact O-N 2.98Å
70L94.4Very high94.4Very high2 Ų244.2 Ų44.21%0.0123%0.228CC..Hα-helixtrans-60.1-41.4175.217363.4000111.8L30 M50 F54 I62 E66 F67 Y73 V74L30-L70 HydrophobicContact CD1-CD2 4.42Å; L30-L70 HydrophobicContact CD2-CD2 3.77Å; M50-L70 HydrophobicContact CB-CD1 3.77Å; M50-L70 HydrophobicContact CG-CD1 4.13Å; M50-L70 HydrophobicContact SD-CD1 4.25Å; F54-L70 HydrophobicContact CB-CB 4.49Å; F54-L70 HydrophobicContact CD2-CB 3.87Å; F54-L70 HydrophobicContact CD2-CD1 3.71Å; F54-L70 HydrophobicContact CD2-CG 4.37Å; F54-L70 HydrophobicContact CE2-CB 4.29Å; F54-L70 HydrophobicContact CE2-CD1 3.86Å; F54-L70 HydrophobicContact CG-CB 4.1Å; I62-L70 HydrophobicContact CG1-CD2 4.43Å; I62-L70 HydrophobicContact CG2-CD2 4.31Å; E66-L70 PolarHBondContact O-N 2.78Å; F67-L70 HydrophobicContact CD2-CD2 4.27Å; F67-L70 PolarHBondContact O-N 3.32Å; L70-Y73 WeakPolarHBondContact O-CB 3.32Å; L70-Y73 PolarHBondContact O-N 3.19Å; L70-V74 HydrophobicContact CD1-CG2 4.16Å; L70-V74 WeakPolarHBondContact O-CG2 3.46Å; L70-V74 PolarHBondContact O-N 3.1Å
71F94.5Very high94.7Very high41 Ų4142.8 Ų42.818%0.1821%0.209CC..Hα-helixtrans-63.6-46.2-179.6-178.7-99.2000111V9 A10 V13 F67 Q69 Y73 V74 Q75V9-F71 HydrophobicContact CG1-CE1 4Å; V9-F71 HydrophobicContact CG1-CZ 3.96Å; A10-F71 HydrophobicContact CB-CB 4.25Å; A10-F71 HydrophobicContact CB-CD1 3.99Å; A10-F71 HydrophobicContact CB-CG 4.17Å; V13-F71 HydrophobicContact CB-CE2 4.2Å; V13-F71 HydrophobicContact CG1-CD2 4.31Å; V13-F71 HydrophobicContact CG1-CE2 4.09Å; V13-F71 HydrophobicContact CG2-CE2 3.88Å; V13-F71 HydrophobicContact CG2-CZ 4.21Å; F67-F71 HydrophobicContact CD1-CB 4.31Å; F67-F71 HydrophobicContact CE1-CB 4Å; F67-F71 HydrophobicContact CE1-CD2 4.06Å; F67-F71 HydrophobicContact CE1-CG 4.29Å; F67-F71 HydrophobicContact CZ-CB 4.34Å; F67-F71 HydrophobicContact CZ-CD2 4.08Å; F67-F71 WeakPolarHBondContact O-CB 3.35Å; F67-F71 PolarHBondContact O-N 3.4Å; Q69-F71 VanDerWaalsContact C-N 3.31Å; Q69-F71 PolarHBondContact O-N 2.81Å; F71-Y73 VanDerWaalsContact C-N 3.32Å; F71-Y73 PolarHBondContact O-N 3.07Å; F71-V74 PolarHBondContact O-N 2.9Å; F71-Q75 HydrophobicContact CD1-CG 4.25Å; F71-Q75 HydrophobicContact CE1-CG 3.88Å; F71-Q75 HydrophobicContact CZ-CG 4.07Å; F71-Q75 WeakPolarHBondContact O-CG 3.23Å; F71-Q75 PolarHBondContact O-N 3.24Å
72E94.2Very high94.9Very high102 Ų10248.2 Ų48.248%0.47723%0.226SC..Hα-helixtrans-60.2-42.4173.8-72179.6-176.600111.8S68 Q69 V74 Q75 Q76S68-E72 WeakPolarHBondContact O-CG 3.23Å; S68-E72 PolarHBondContact O-N 3.12Å; Q69-E72 PolarHBondContact O-N 2.94Å; E72-V74 PolarHBondContact O-N 3.47Å; E72-Q75 PolarHBondContact O-N 3.38Å; E72-Q76 WeakPolarHBondContact O-CG 3.38Å; E72-Q76 PolarHBondContact O-N 2.84Å
73Y94.8Very high95Very high35 Ų3551.6 Ų51.614%0.13725%0.25CC..Hα-helixtrans-59.9-45.7175.7178.9-101.4000112.3M50 M53 F54 Q69 L70 F71 Q75 Q76 W77M50-Y73 HydrophobicContact CG-CE1 4.37Å; M53-Y73 HydrophobicContact CE-CE2 3.89Å; M53-Y73 HydrophobicContact SD-CE1 4.47Å; F54-Y73 AromaticContact CE2-CD1 3.91Å; F54-Y73 HydrophobicContact CE2-CD1 3.91Å; F54-Y73 HydrophobicContact CE2-CD2 4.47Å; F54-Y73 AromaticContact CE2-CG 3.87Å; F54-Y73 HydrophobicContact CE2-CG 3.87Å; F54-Y73 HydrophobicContact CZ-CD1 4.29Å; F54-Y73 HydrophobicContact CZ-CD2 4.11Å; F54-Y73 AromaticContact CZ-CG 3.76Å; F54-Y73 HydrophobicContact CZ-CG 3.76Å; Q69-Y73 WeakPolarHBondContact O-CB 3.37Å; Q69-Y73 PolarHBondContact O-N 2.98Å; L70-Y73 WeakPolarHBondContact O-CB 3.32Å; L70-Y73 PolarHBondContact O-N 3.19Å; F71-Y73 VanDerWaalsContact C-N 3.32Å; F71-Y73 PolarHBondContact O-N 3.07Å; Y73-Q75 PolarHBondContact O-N 3.21Å; Y73-Q76 PolarHBondContact O-N 2.88Å; Y73-W77 AromaticContact CD1-CD1 3.79Å; Y73-W77 AromaticContact CE1-CD1 3.44Å; Y73-W77 VanDerWaalsContact CE1-CD1 3.44Å; Y73-W77 AromaticContact CE1-NE1 3.39Å; Y73-W77 AromaticContact CE2-CD1 3.84Å; Y73-W77 AromaticContact CE2-NE1 3.32Å; Y73-W77 VanDerWaalsContact CE2-NE1 3.32Å; Y73-W77 AromaticContact CZ-CD1 3.49Å; Y73-W77 VanDerWaalsContact CZ-CD1 3.49Å; Y73-W77 AromaticContact CZ-NE1 2.94Å; Y73-W77 VanDerWaalsContact O-CD1 3.32Å; Y73-W77 PolarHBondContact O-N 3.44Å; Y73-W77 VanDerWaalsContact O-N 3.07Å; Y73-W77 PolarHBondContact OH-NE1 2.91Å
74V95.5Very high95.1Very high8 Ų851 Ų515%0.04824%0.244CC..Hα-helixtrans-63.4-41175.9172.20000111L34 M50 L70 F71 E72 Q76 W77 Q78 F130L34-V74 HydrophobicContact CD2-CG1 4.28Å; M50-V74 HydrophobicContact CE-CG2 4.11Å; M50-V74 HydrophobicContact SD-CG2 3.95Å; L70-V74 HydrophobicContact CD1-CG2 4.16Å; L70-V74 WeakPolarHBondContact O-CG2 3.46Å; L70-V74 PolarHBondContact O-N 3.1Å; F71-V74 PolarHBondContact O-N 2.9Å; E72-V74 PolarHBondContact O-N 3.47Å; V74-Q76 PolarHBondContact O-N 3.07Å; V74-W77 PolarHBondContact O-N 3.03Å; V74-Q78 HydrophobicContact CG1-CG 4.36Å; V74-Q78 WeakPolarHBondContact O-CG 3.17Å; V74-Q78 PolarHBondContact O-N 3.35Å; V74-F130 HydrophobicContact CG1-CE1 4.25Å; V74-F130 HydrophobicContact CG1-CZ 4.39Å
75Q95.4Very high95.3Very high71 Ų7150.2 Ų50.233%0.33224%0.241SC..Hα-helixtrans-62.2-42.2177.1-73.4-56.6-53.800112.4F71 E72 Y73 W77 Q78 Q79F71-Q75 HydrophobicContact CD1-CG 4.25Å; F71-Q75 HydrophobicContact CE1-CG 3.88Å; F71-Q75 HydrophobicContact CZ-CG 4.07Å; F71-Q75 WeakPolarHBondContact O-CG 3.23Å; F71-Q75 PolarHBondContact O-N 3.24Å; E72-Q75 PolarHBondContact O-N 3.38Å; Y73-Q75 PolarHBondContact O-N 3.21Å; Q75-W77 VanDerWaalsContact C-N 3.35Å; Q75-Q78 PolarHBondContact O-N 3.06Å; Q75-Q79 PolarHBondContact O-N 3.18Å
76Q96.3Very high95.4Very high121 Ų12155.8 Ų55.857%0.56526%0.255SS*.Hα-helixtrans-61.5-44.8175.6-70.4172.229.200111.2E72 Y73 V74 Q78 Q79 C80E72-Q76 WeakPolarHBondContact O-CG 3.38Å; E72-Q76 PolarHBondContact O-N 2.84Å; Y73-Q76 PolarHBondContact O-N 2.88Å; V74-Q76 PolarHBondContact O-N 3.07Å; Q76-Q78 PolarHBondContact O-N 3.15Å; Q76-Q79 PolarHBondContact O-N 3.37Å; Q76-C80 WeakPolarHBondContact O-CB 3.27Å; Q76-C80 PolarHBondContact O-N 2.78Å
77W97Very high95.4Very high39 Ų3960.5 Ų60.515%0.14828%0.28CS..Hα-helixtrans-63.2-39.6174.9-84.8114.8000112.7Y73 V74 Q75 Q79 C80 F81 F104 F130 F133 I134 C137 V138Y73-W77 AromaticContact CD1-CD1 3.79Å; Y73-W77 AromaticContact CE1-CD1 3.44Å; Y73-W77 VanDerWaalsContact CE1-CD1 3.44Å; Y73-W77 AromaticContact CE1-NE1 3.39Å; Y73-W77 AromaticContact CE2-CD1 3.84Å; Y73-W77 AromaticContact CE2-NE1 3.32Å; Y73-W77 VanDerWaalsContact CE2-NE1 3.32Å; Y73-W77 AromaticContact CZ-CD1 3.49Å; Y73-W77 VanDerWaalsContact CZ-CD1 3.49Å; Y73-W77 AromaticContact CZ-NE1 2.94Å; Y73-W77 VanDerWaalsContact O-CD1 3.32Å; Y73-W77 PolarHBondContact O-N 3.44Å; Y73-W77 VanDerWaalsContact O-N 3.07Å; Y73-W77 PolarHBondContact OH-NE1 2.91Å; V74-W77 PolarHBondContact O-N 3.03Å; Q75-W77 VanDerWaalsContact C-N 3.35Å; W77-Q79 VanDerWaalsContact C-N 3.35Å; W77-Q79 PolarHBondContact O-N 2.76Å; W77-C80 HydrophobicContact CE3-CB 4.4Å; W77-C80 WeakPolarHBondContact O-CB 3.26Å; W77-C80 PolarHBondContact O-N 3.33Å; W77-F81 WeakPolarHBondContact O-CB 3.27Å; W77-F81 PolarHBondContact O-N 3.21Å; W77-F104 HydrophobicContact CZ3-CZ 4.49Å; W77-F130 HydrophobicContact CB-CE2 3.72Å; W77-F130 HydrophobicContact CB-CZ 3.74Å; W77-F133 HydrophobicContact CE3-CD1 4.24Å; W77-F133 AromaticContact CE3-CE1 3.91Å; W77-F133 HydrophobicContact CE3-CE1 3.91Å; W77-F133 HydrophobicContact CZ3-CD1 4.22Å; W77-F133 AromaticContact CZ3-CE1 3.69Å; W77-F133 HydrophobicContact CZ3-CE1 3.69Å; W77-I134 HydrophobicContact CB-CD1 4.1Å; W77-I134 HydrophobicContact CB-CG1 4.1Å; W77-I134 HydrophobicContact CD2-CG1 3.89Å; W77-I134 HydrophobicContact CD2-CG2 4.47Å; W77-I134 HydrophobicContact CE3-CG1 4.1Å; W77-I134 HydrophobicContact CG-CD1 4.25Å; W77-I134 HydrophobicContact CG-CG1 3.9Å; W77-C137 HydrophobicContact CH2-CB 3.57Å; W77-C137 HydrophobicContact CZ3-CB 4.06Å; W77-V138 HydrophobicContact CZ2-CG2 4.19Å
78Q96.2Very high95.4Very high51 Ų5170.9 Ų70.924%0.23832%0.319CS..Hα-helixtrans-63.6-40.6175.9-75.1179.4-13.500111.9V74 Q75 Q76 R82 F130V74-Q78 HydrophobicContact CG1-CG 4.36Å; V74-Q78 WeakPolarHBondContact O-CG 3.17Å; V74-Q78 PolarHBondContact O-N 3.35Å; Q75-Q78 PolarHBondContact O-N 3.06Å; Q76-Q78 PolarHBondContact O-N 3.15Å; Q78-R82 WeakPolarHBondContact O-CB 3.3Å; Q78-R82 VanDerWaalsContact O-CG 3.3Å; Q78-R82 WeakPolarHBondContact O-CG 3.25Å; Q78-R82 PolarHBondContact O-N 3.1Å; Q78-R82 PolarHBondContact O-NE 3.44Å; Q78-F130 HydrophobicContact CB-CZ 4.33Å; Q78-F130 HydrophobicContact CG-CE1 3.75Å; Q78-F130 HydrophobicContact CG-CE2 4.02Å; Q78-F130 HydrophobicContact CG-CZ 3.45Å; Q78-F130 VanDerWaalsContact CG-CZ 3.45Å
79Q96.5Very high95.4Very high139 Ų13973.4 Ų73.465%0.6534%0.336SS*.Hα-helixtrans-63.3-43.9174.2-175.41795.300111.4Q75 Q76 W77 R82 S83Q75-Q79 PolarHBondContact O-N 3.18Å; Q76-Q79 PolarHBondContact O-N 3.37Å; W77-Q79 VanDerWaalsContact C-N 3.35Å; W77-Q79 PolarHBondContact O-N 2.76Å; Q79-R82 PolarHBondContact O-N 2.92Å; Q79-S83 PolarHBondContact O-N 3.4Å; Q79-S83 VanDerWaalsContact O-N 3.11Å
80C96.4Very high95.5Very high26 Ų2671.1 Ų71.118%0.17633%0.333CS..Hα-helixtrans-61.7-47.1176.5-1740000112.1Q76 W77 R82 S83 Y84 F104Q76-C80 WeakPolarHBondContact O-CB 3.27Å; Q76-C80 PolarHBondContact O-N 2.78Å; W77-C80 HydrophobicContact CE3-CB 4.4Å; W77-C80 WeakPolarHBondContact O-CB 3.26Å; W77-C80 PolarHBondContact O-N 3.33Å; C80-R82 PolarHBondContact O-N 3.08Å; C80-S83 PolarHBondContact O-N 2.87Å; C80-S83 PolarHBondContact O-OG 2.75Å; C80-Y84 WeakPolarHBondContact O-CD2 3.19Å; C80-F104 VanDerWaalsContact SG-CZ 3.52Å
81F97.3Very high95.6Very high13 Ų1371.9 Ų71.96%0.05734%0.338CS..Hα-helixtrans-59.2-48.1177.5-175.1-88.2000111.3W77 S83 Y84 D85 I92 F130 F133W77-F81 WeakPolarHBondContact O-CB 3.27Å; W77-F81 PolarHBondContact O-N 3.21Å; F81-S83 PolarHBondContact O-N 2.93Å; F81-Y84 PolarHBondContact O-N 3.49Å; F81-Y84 VanDerWaalsContact O-N 3.08Å; F81-D85 HydrophobicContact CD1-CB 4.4Å; F81-D85 HydrophobicContact CE1-CB 4.23Å; F81-D85 PolarHBondContact O-N 3.21Å; F81-I92 HydrophobicContact CD2-CD1 4.46Å; F81-I92 HydrophobicContact CD2-CG1 3.67Å; F81-I92 HydrophobicContact CE1-CG1 4.4Å; F81-I92 HydrophobicContact CE2-CB 4.24Å; F81-I92 HydrophobicContact CE2-CD1 4.4Å; F81-I92 HydrophobicContact CE2-CG1 3.33Å; F81-I92 HydrophobicContact CG-CG1 4.36Å; F81-I92 HydrophobicContact CZ-CG1 3.77Å; F81-F130 HydrophobicContact CB-CD2 3.8Å; F81-F130 HydrophobicContact CB-CE2 4.08Å; F81-F130 HydrophobicContact CD2-CB 4.27Å; F81-F130 AromaticContact CD2-CD2 3.79Å; F81-F130 HydrophobicContact CD2-CD2 3.79Å; F81-F130 VanDerWaalsContact CE2-CA 3.45Å; F81-F130 HydrophobicContact CE2-CB 4.11Å; F81-F130 HydrophobicContact CE2-CD2 4.46Å; F81-F130 AromaticContact CG-CD2 3.79Å; F81-F130 HydrophobicContact CG-CD2 3.79Å; F81-F130 HydrophobicContact CZ-CB 4.28Å; F81-F133 HydrophobicContact CD2-CB 3.89Å; F81-F133 AromaticContact CD2-CD1 3.76Å; F81-F133 HydrophobicContact CD2-CD1 3.76Å; F81-F133 HydrophobicContact CD2-CE1 4.46Å; F81-F133 AromaticContact CD2-CG 3.84Å; F81-F133 HydrophobicContact CD2-CG 3.84Å; F81-F133 HydrophobicContact CE2-CB 3.92Å; F81-F133 HydrophobicContact CE2-CG 4.26Å
82R96.6Very high95.8Very high150 Ų15070 Ų7057%0.56633%0.329SS*.Hα-helixtrans-64-23.9178.6-74.1-177.2-66.9-135.3-0.7114.2Q78 Q79 C80 Y84Q78-R82 WeakPolarHBondContact O-CB 3.3Å; Q78-R82 VanDerWaalsContact O-CG 3.3Å; Q78-R82 WeakPolarHBondContact O-CG 3.25Å; Q78-R82 PolarHBondContact O-N 3.1Å; Q78-R82 PolarHBondContact O-NE 3.44Å; Q79-R82 PolarHBondContact O-N 2.92Å; C80-R82 PolarHBondContact O-N 3.08Å; R82-Y84 VanDerWaalsContact C-N 3.29Å
83S97.2Very high95.9Very high70 Ų7067.7 Ų67.749%0.4932%0.32SS..Hα-helixtrans-77.9-18.3176.671.60000112.8Q79 C80 F81Q79-S83 PolarHBondContact O-N 3.4Å; Q79-S83 VanDerWaalsContact O-N 3.11Å; C80-S83 PolarHBondContact O-N 2.87Å; C80-S83 PolarHBondContact O-OG 2.75Å; F81-S83 PolarHBondContact O-N 2.93Å
84Y97.3Very high96Very high29 Ų2967.8 Ų67.811%0.11433%0.325CS..Hα-helixtrans-104.2-26.7177.8-63.7-61.7000114.4C80 F81 R82 R86 I92 E96 T99 A100 S103 F104 F133C80-Y84 WeakPolarHBondContact O-CD2 3.19Å; F81-Y84 PolarHBondContact O-N 3.49Å; F81-Y84 VanDerWaalsContact O-N 3.08Å; R82-Y84 VanDerWaalsContact C-N 3.29Å; Y84-R86 PolarHBondContact O-N 3.2Å; Y84-I92 VanDerWaalsContact C-CD1 3.41Å; Y84-E96 WeakPolarHBondContact O-CB 3.5Å; Y84-E96 VanDerWaalsContact O-CD 3.26Å; Y84-E96 VanDerWaalsContact O-CG 3.25Å; Y84-E96 WeakPolarHBondContact O-CG 3.31Å; Y84-T99 HydrophobicContact CD1-CG2 4.42Å; Y84-T99 HydrophobicContact CE1-CG2 4.47Å; Y84-A100 HydrophobicContact CD1-CB 3.86Å; Y84-A100 HydrophobicContact CD2-CB 3.53Å; Y84-A100 HydrophobicContact CE1-CB 4.03Å; Y84-A100 HydrophobicContact CE2-CB 3.69Å; Y84-A100 HydrophobicContact CG-CB 3.63Å; Y84-S103 WeakPolarHBondContact OH-CB 3.38Å; Y84-S103 PolarHBondContact OH-OG 3.45Å; Y84-F104 AromaticContact CE2-CE1 3.82Å; Y84-F104 HydrophobicContact CE2-CE1 3.82Å; Y84-F104 AromaticContact CE2-CZ 3.85Å; Y84-F104 HydrophobicContact CE2-CZ 3.85Å; Y84-F133 HydrophobicContact CD2-CZ 4.37Å
85D96.3Very high96Very high16 Ų1676.5 Ų76.59%0.08636%0.357CS..  trans-72.278.3169.5175.216.1000108.9F81 D87 R88 S89 G90 I92F81-D85 HydrophobicContact CD1-CB 4.4Å; F81-D85 HydrophobicContact CE1-CB 4.23Å; F81-D85 PolarHBondContact O-N 3.21Å; D85-D87 VanDerWaalsContact OD1-OD1 3.12Å; D85-R88 PolarHBondContact O-N 3.49Å; D85-R88 WeakPolarHBondContact OD1-CA 3.16Å; D85-R88 PolarHBondContact OD1-N 3.01Å; D85-S89 PolarHBondContact OD1-N 3.49Å; D85-S89 PolarHBondContact OD1-OG 3.19Å; D85-G90 WeakPolarHBondContact OD2-CA 3.36Å; D85-G90 PolarHBondContact OD2-N 3.03Å; D85-I92 HydrophobicContact CB-CD1 3.82Å
86R93Very high96.2Very high167 Ų16773.8 Ų73.863%0.6335%0.345SS*.  trans-77.3-34.1-169.7-73.6-177.6179.9174.60.8111.6Y84 E96Y84-R86 PolarHBondContact O-N 3.2Å; R86-E96 PolarHBondContact N-OE1 2.62Å
87D93.8Very high96.2Very high105 Ų10568 Ų6856%0.56132%0.318SS*.SBendtrans-81.6-5.717773.8-3.7000112.9D85 S89D85-D87 VanDerWaalsContact OD1-OD1 3.12Å; D87-S89 PolarHBondContact O-N 2.95Å; D87-S89 WeakPolarHBondContact OD1-CB 3.37Å; D87-S89 PolarHBondContact OD1-N 3.48Å; D87-S89 PolarHBondContact OD1-OG 2.85Å
88R93.5Very high96.3Very high224 Ų22468.7 Ų68.785%0.84532%0.323SS*.  trans59.932.7-179.1-54179.2179-178.8-0.4111.9D85 G90D85-R88 PolarHBondContact O-N 3.49Å; D85-R88 WeakPolarHBondContact OD1-CA 3.16Å; D85-R88 PolarHBondContact OD1-N 3.01Å; R88-G90 PolarHBondContact O-N 3.06Å
89S94.5Very high96.3Very high59 Ų5967.9 Ų67.941%0.41332%0.321SS..  trans-67.2-16.6174.764.20000112.6D85 D87 T91D85-S89 PolarHBondContact OD1-N 3.49Å; D85-S89 PolarHBondContact OD1-OG 3.19Å; D87-S89 PolarHBondContact O-N 2.95Å; D87-S89 WeakPolarHBondContact OD1-CB 3.37Å; D87-S89 PolarHBondContact OD1-N 3.48Å; D87-S89 PolarHBondContact OD1-OG 2.85Å; S89-T91 PolarHBondContact OG-N 2.82Å; S89-T91 PolarHBondContact OG-O 2.84Å; S89-T91 VanDerWaalsContact OG-O 3.13Å; S89-T91 PolarHBondContact OG-OG1 3.32Å
90G95Very high96.4Very high26 Ų2661.3 Ų61.327%0.26829%0.29SS..SBendtrans79.59.2-170.800000112.8D85 R88D85-G90 WeakPolarHBondContact OD2-CA 3.36Å; D85-G90 PolarHBondContact OD2-N 3.03Å; R88-G90 PolarHBondContact O-N 3.06Å
91T96.8Very high96.5Very high18 Ų1860.1 Ų60.111%0.1128%0.282CS..SBendtrans-136.1165.517965.30000110.3L38 S89 S127L38-T91 HydrophobicContact CD2-CG2 3.4Å; L38-T91 VanDerWaalsContact CD2-CG2 3.4Å; L38-T91 HydrophobicContact CG-CG2 4.3Å; S89-T91 PolarHBondContact OG-N 2.82Å; S89-T91 PolarHBondContact OG-O 2.84Å; S89-T91 VanDerWaalsContact OG-O 3.13Å; S89-T91 PolarHBondContact OG-OG1 3.32Å; T91-S127 WeakPolarHBondContact CB-OG 3.23Å; T91-S127 WeakPolarHBondContact OG1-CB 3.43Å; T91-S127 PolarHBondContact OG1-OG 3.07Å; T91-S127 VanDerWaalsContact OG1-OG 3.05Å
92I97.4Very high96.4Very high0 Ų063.1 Ų63.10%030%0.302CS..EExtended strand (participates in β ladder)trans-113.3114.7174.5-67.3-69.6000108.7F81 Y84 D85 E96 F97 S127 V128 F133F81-I92 HydrophobicContact CD2-CD1 4.46Å; F81-I92 HydrophobicContact CD2-CG1 3.67Å; F81-I92 HydrophobicContact CE1-CG1 4.4Å; F81-I92 HydrophobicContact CE2-CB 4.24Å; F81-I92 HydrophobicContact CE2-CD1 4.4Å; F81-I92 HydrophobicContact CE2-CG1 3.33Å; F81-I92 HydrophobicContact CG-CG1 4.36Å; F81-I92 HydrophobicContact CZ-CG1 3.77Å; Y84-I92 VanDerWaalsContact C-CD1 3.41Å; D85-I92 HydrophobicContact CB-CD1 3.82Å; I92-E96 WeakPolarHBondContact CA-OE2 3.5Å; I92-E96 HydrophobicContact CD1-CB 4.21Å; I92-E96 HydrophobicContact CG2-CB 3.86Å; I92-F97 HydrophobicContact CG2-CB 3.75Å; I92-F97 HydrophobicContact CG2-CD2 3.92Å; I92-F97 HydrophobicContact CG2-CG 4.36Å; I92-S127 CarbonylContact O-C 3.55Å; I92-S127 VanDerWaalsContact O-CA 3.23Å; I92-S127 WeakPolarHBondContact O-CA 3.35Å; I92-S127 WeakPolarHBondContact O-CB 3.34Å; I92-V128 HydrophobicContact CB-CG2 4.07Å; I92-V128 HydrophobicContact CG2-CG2 4.43Å; I92-V128 PolarHBondContact N-O 2.93Å; I92-V128 PolarHBondContact O-N 3.29Å; I92-F133 HydrophobicContact CB-CD2 4.34Å; I92-F133 HydrophobicContact CG1-CD2 4.2Å; I92-F133 HydrophobicContact CG2-CD2 4.17Å; I92-F133 HydrophobicContact CG2-CE2 4.35Å
93D96.7Very high96.4Very high55 Ų5559.6 Ų59.629%0.29430%0.3SS..EExtended strand (participates in β ladder)trans-77.7178.1176.883.214.3000112.7R95 E96 F97D93-R95 VanDerWaalsContact C-N 3.3Å; D93-R95 PolarHBondContact O-N 2.85Å; D93-R95 WeakPolarHBondContact OD1-CA 3.48Å; D93-R95 WeakPolarHBondContact OD1-CB 3.41Å; D93-R95 PolarHBondContact OD1-N 3.13Å; D93-E96 PolarHBondContact N-OE2 2.94Å; D93-E96 PolarHBondContact O-N 3.18Å; D93-E96 WeakPolarHBondContact OD1-CG 3.32Å; D93-E96 PolarHBondContact OD1-N 3.21Å; D93-F97 WeakPolarHBondContact O-CB 3.48Å; D93-F97 PolarHBondContact O-N 3.13Å
94C96.7Very high96.4Very high36 Ų3659.8 Ų59.824%0.24329%0.293CS..Hα-helixtrans-59.1-36.8179.7-66.70000114H98C94-H98 WeakPolarHBondContact O-CB 3.49Å; C94-H98 PolarHBondContact O-N 3.46Å
95R96.9Very high96.4Very high191 Ų19161.4 Ų61.472%0.72132%0.318SS*.Hα-helixtrans-76-42.5-177.5-179.2-177.4-179.7-177.80.9110.8D93 H98 T99D93-R95 VanDerWaalsContact C-N 3.3Å; D93-R95 PolarHBondContact O-N 2.85Å; D93-R95 WeakPolarHBondContact OD1-CA 3.48Å; D93-R95 WeakPolarHBondContact OD1-CB 3.41Å; D93-R95 PolarHBondContact OD1-N 3.13Å; R95-H98 PolarHBondContact O-N 2.77Å; R95-T99 WeakPolarHBondContact O-CB 3.45Å; R95-T99 PolarHBondContact O-N 2.9Å; R95-T99 PolarHBondContact O-OG1 3.38Å
96E97.8Very high96.3Very high14 Ų1462.5 Ų62.57%0.06532%0.321CS..Hα-helixtrans-64.8-43.5175.1-67.3175.5143.300110.5Y84 R86 I92 D93 H98 T99 A100Y84-E96 WeakPolarHBondContact O-CB 3.5Å; Y84-E96 VanDerWaalsContact O-CD 3.26Å; Y84-E96 VanDerWaalsContact O-CG 3.25Å; Y84-E96 WeakPolarHBondContact O-CG 3.31Å; R86-E96 PolarHBondContact N-OE1 2.62Å; I92-E96 WeakPolarHBondContact CA-OE2 3.5Å; I92-E96 HydrophobicContact CD1-CB 4.21Å; I92-E96 HydrophobicContact CG2-CB 3.86Å; D93-E96 PolarHBondContact N-OE2 2.94Å; D93-E96 PolarHBondContact O-N 3.18Å; D93-E96 WeakPolarHBondContact OD1-CG 3.32Å; D93-E96 PolarHBondContact OD1-N 3.21Å; E96-H98 PolarHBondContact O-N 3.32Å; E96-T99 WeakPolarHBondContact O-CB 3.32Å; E96-T99 PolarHBondContact O-N 3.08Å; E96-A100 PolarHBondContact O-N 2.9Å
97F97.8Very high96.4Very high1 Ų166.5 Ų66.50%0.00434%0.336CS..Hα-helixtrans-60.4-46.8175.8-162.4-103.9000111.8I92 D93 T99 A100 L101 L116 V117 V128 F133 A136I92-F97 HydrophobicContact CG2-CB 3.75Å; I92-F97 HydrophobicContact CG2-CD2 3.92Å; I92-F97 HydrophobicContact CG2-CG 4.36Å; D93-F97 WeakPolarHBondContact O-CB 3.48Å; D93-F97 PolarHBondContact O-N 3.13Å; F97-T99 VanDerWaalsContact C-N 3.29Å; F97-T99 PolarHBondContact O-N 3.22Å; F97-A100 WeakPolarHBondContact O-CB 3.41Å; F97-A100 PolarHBondContact O-N 3.4Å; F97-L101 HydrophobicContact CD1-CD1 3.73Å; F97-L101 HydrophobicContact CD1-CG 4.11Å; F97-L101 HydrophobicContact CE1-CD1 3.51Å; F97-L101 HydrophobicContact CE1-CD2 4.23Å; F97-L101 HydrophobicContact CE1-CG 3.94Å; F97-L101 HydrophobicContact CZ-CD1 4.41Å; F97-L101 HydrophobicContact CZ-CD2 4.34Å; F97-L101 HydrophobicContact CZ-CG 4.46Å; F97-L101 WeakPolarHBondContact O-CG 3.47Å; F97-L101 PolarHBondContact O-N 3.16Å; F97-L116 HydrophobicContact CE1-CB 3.8Å; F97-L116 HydrophobicContact CE1-CD1 4.07Å; F97-V117 HydrophobicContact CB-CG2 3.59Å; F97-V117 HydrophobicContact CD1-CG2 3.6Å; F97-V117 HydrophobicContact CD2-CG2 4.22Å; F97-V117 HydrophobicContact CE1-CG2 4.33Å; F97-V117 HydrophobicContact CG-CG2 3.54Å; F97-V128 HydrophobicContact CD2-CG2 4.23Å; F97-V128 HydrophobicContact CE2-CG2 4.5Å; F97-F133 AromaticContact CD2-CD2 3.64Å; F97-F133 HydrophobicContact CD2-CD2 3.64Å; F97-F133 AromaticContact CD2-CE2 3.81Å; F97-F133 HydrophobicContact CD2-CE2 3.81Å; F97-F133 AromaticContact CE2-CD2 3.56Å; F97-F133 HydrophobicContact CE2-CD2 3.56Å; F97-F133 AromaticContact CE2-CE2 3.86Å; F97-F133 HydrophobicContact CE2-CE2 3.86Å; F97-A136 HydrophobicContact CE2-CB 4.09Å; F97-A136 HydrophobicContact CZ-CB 3.71Å
98H97.9Very high96.5Very high53 Ų5363.8 Ų63.825%0.24532%0.321CS..Hα-helixtrans-60.6-40.1176.4-17967.6000112.2C94 R95 E96 L101 T102 L108 S113C94-H98 WeakPolarHBondContact O-CB 3.49Å; C94-H98 PolarHBondContact O-N 3.46Å; R95-H98 PolarHBondContact O-N 2.77Å; E96-H98 PolarHBondContact O-N 3.32Å; H98-L101 PolarHBondContact O-N 2.98Å; H98-T102 WeakPolarHBondContact O-CB 3.5Å; H98-T102 PolarHBondContact O-N 3.06Å; H98-T102 PolarHBondContact O-OG1 3.4Å; H98-L108 PolarHBondContact CE1-O 3.05Å; H98-L108 VanDerWaalsContact CE1-O 3.32Å; H98-S113 PolarHBondContact ND1-OG 3.45Å
99T97.5Very high96.7Very high34 Ų3456 Ų5621%0.20930%0.301CS..Hα-helixtrans-63.2-44.1174.9-56.80000111.1Y84 R95 E96 F97 T102 S103Y84-T99 HydrophobicContact CD1-CG2 4.42Å; Y84-T99 HydrophobicContact CE1-CG2 4.47Å; R95-T99 WeakPolarHBondContact O-CB 3.45Å; R95-T99 PolarHBondContact O-N 2.9Å; R95-T99 PolarHBondContact O-OG1 3.38Å; E96-T99 WeakPolarHBondContact O-CB 3.32Å; E96-T99 PolarHBondContact O-N 3.08Å; F97-T99 VanDerWaalsContact C-N 3.29Å; F97-T99 PolarHBondContact O-N 3.22Å; T99-T102 PolarHBondContact O-N 3.11Å; T99-S103 PolarHBondContact O-N 3.08Å; T99-S103 PolarHBondContact O-OG 3.33Å
100A97.8Very high96.8Very high0 Ų057.2 Ų57.20%031%0.308CS..Hα-helixtrans-59.8-48.8177.100000112Y84 E96 F97 T102 S103 F104 F133Y84-A100 HydrophobicContact CD1-CB 3.86Å; Y84-A100 HydrophobicContact CD2-CB 3.53Å; Y84-A100 HydrophobicContact CE1-CB 4.03Å; Y84-A100 HydrophobicContact CE2-CB 3.69Å; Y84-A100 HydrophobicContact CG-CB 3.63Å; E96-A100 PolarHBondContact O-N 2.9Å; F97-A100 WeakPolarHBondContact O-CB 3.41Å; F97-A100 PolarHBondContact O-N 3.4Å; A100-T102 VanDerWaalsContact C-N 3.31Å; A100-T102 PolarHBondContact O-N 3.14Å; A100-S103 WeakPolarHBondContact O-CB 3.31Å; A100-S103 PolarHBondContact O-N 2.84Å; A100-F104 HydrophobicContact CB-CE2 4.16Å; A100-F104 HydrophobicContact CB-CZ 4.29Å; A100-F104 VanDerWaalsContact O-CD2 3.32Å; A100-F104 WeakPolarHBondContact O-CD2 2.94Å; A100-F104 WeakPolarHBondContact O-CG 3.5Å; A100-F104 PolarHBondContact O-N 3.17Å; A100-F133 HydrophobicContact CB-CE2 4.02Å; A100-F133 HydrophobicContact CB-CZ 4.1Å
101L97.7Very high96.9Very high1 Ų161.8 Ų61.81%0.00533%0.326CS..Hα-helixtrans-59.5-42.2177.7-68.3-178.2000112.3F97 H98 F104 G105 Y106 L108 L116 L140F97-L101 HydrophobicContact CD1-CD1 3.73Å; F97-L101 HydrophobicContact CD1-CG 4.11Å; F97-L101 HydrophobicContact CE1-CD1 3.51Å; F97-L101 HydrophobicContact CE1-CD2 4.23Å; F97-L101 HydrophobicContact CE1-CG 3.94Å; F97-L101 HydrophobicContact CZ-CD1 4.41Å; F97-L101 HydrophobicContact CZ-CD2 4.34Å; F97-L101 HydrophobicContact CZ-CG 4.46Å; F97-L101 WeakPolarHBondContact O-CG 3.47Å; F97-L101 PolarHBondContact O-N 3.16Å; H98-L101 PolarHBondContact O-N 2.98Å; L101-F104 HydrophobicContact CD2-CD2 4.36Å; L101-F104 PolarHBondContact O-N 3.2Å; L101-G105 PolarHBondContact O-N 2.99Å; L101-Y106 HydrophobicContact CB-CD2 4.5Å; L101-Y106 HydrophobicContact CD2-CD2 4.09Å; L101-Y106 WeakPolarHBondContact O-CB 3.41Å; L101-Y106 PolarHBondContact O-N 2.88Å; L101-L108 HydrophobicContact CD1-CD1 4.03Å; L101-L116 HydrophobicContact CD1-CD1 4.01Å; L101-L140 HydrophobicContact CD1-CD2 4.47Å; L101-L140 HydrophobicContact CD2-CD2 3.49Å; L101-L140 VanDerWaalsContact CD2-CD2 3.49Å
102T97.3Very high96.9Very high76 Ų7664.8 Ų64.847%0.46634%0.338SS..Hα-helixtrans-61.3-45.7176.5-58.40000111.2H98 T99 A100 F104 G105H98-T102 WeakPolarHBondContact O-CB 3.5Å; H98-T102 PolarHBondContact O-N 3.06Å; H98-T102 PolarHBondContact O-OG1 3.4Å; T99-T102 PolarHBondContact O-N 3.11Å; A100-T102 VanDerWaalsContact C-N 3.31Å; A100-T102 PolarHBondContact O-N 3.14Å; T102-F104 VanDerWaalsContact C-N 3.3Å; T102-F104 PolarHBondContact O-N 2.77Å; T102-G105 WeakPolarHBondContact O-CA 3.25Å; T102-G105 PolarHBondContact O-N 3.26Å
103S96.4Very high96.9Very high77 Ų7764.9 Ų64.954%0.53834%0.338SS..Hα-helixtrans-65.2-30.2176.6-67.20000113.5Y84 T99 A100 G105Y84-S103 WeakPolarHBondContact OH-CB 3.38Å; Y84-S103 PolarHBondContact OH-OG 3.45Å; T99-S103 PolarHBondContact O-N 3.08Å; T99-S103 PolarHBondContact O-OG 3.33Å; A100-S103 WeakPolarHBondContact O-CB 3.31Å; A100-S103 PolarHBondContact O-N 2.84Å; S103-G105 PolarHBondContact O-N 2.79Å
104F96.6Very high97Very high74 Ų7465.5 Ų65.533%0.32534%0.339SS..THydrogen-bonded Turntrans-73.7-3.9171.4-58.7-26.2000113.3W77 C80 Y84 A100 L101 T102 Y106 F133W77-F104 HydrophobicContact CZ3-CZ 4.49Å; C80-F104 VanDerWaalsContact SG-CZ 3.52Å; Y84-F104 AromaticContact CE2-CE1 3.82Å; Y84-F104 HydrophobicContact CE2-CE1 3.82Å; Y84-F104 AromaticContact CE2-CZ 3.85Å; Y84-F104 HydrophobicContact CE2-CZ 3.85Å; A100-F104 HydrophobicContact CB-CE2 4.16Å; A100-F104 HydrophobicContact CB-CZ 4.29Å; A100-F104 VanDerWaalsContact O-CD2 3.32Å; A100-F104 WeakPolarHBondContact O-CD2 2.94Å; A100-F104 WeakPolarHBondContact O-CG 3.5Å; A100-F104 PolarHBondContact O-N 3.17Å; L101-F104 HydrophobicContact CD2-CD2 4.36Å; L101-F104 PolarHBondContact O-N 3.2Å; T102-F104 VanDerWaalsContact C-N 3.3Å; T102-F104 PolarHBondContact O-N 2.77Å; F104-Y106 HydrophobicContact CB-CD2 3.79Å; F104-Y106 HydrophobicContact CB-CE2 3.89Å; F104-F133 HydrophobicContact CE2-CZ 4.07Å; F104-F133 AromaticContact CZ-CZ 3.99Å; F104-F133 HydrophobicContact CZ-CZ 3.99Å
105G96Very high97Very high62 Ų6269.3 Ų69.364%0.63935%0.352SS*.THydrogen-bonded Turntrans93.17.2178.300000114.6L101 T102 S103L101-G105 PolarHBondContact O-N 2.99Å; T102-G105 WeakPolarHBondContact O-CA 3.25Å; T102-G105 PolarHBondContact O-N 3.26Å; S103-G105 PolarHBondContact O-N 2.79Å
106Y96.2Very high97Very high40 Ų4061 Ų6116%0.15732%0.322CS..  trans-79.6134.7175-64.1-76.6000111.4L101 F104 L108 L140 K141 T144L101-Y106 HydrophobicContact CB-CD2 4.5Å; L101-Y106 HydrophobicContact CD2-CD2 4.09Å; L101-Y106 WeakPolarHBondContact O-CB 3.41Å; L101-Y106 PolarHBondContact O-N 2.88Å; F104-Y106 HydrophobicContact CB-CD2 3.79Å; F104-Y106 HydrophobicContact CB-CE2 3.89Å; Y106-L108 HydrophobicContact CG-CD1 4.38Å; Y106-L140 HydrophobicContact CD1-CD2 4.02Å; Y106-L140 HydrophobicContact CD1-CG 4.31Å; Y106-L140 HydrophobicContact CD2-CD2 3.87Å; Y106-L140 HydrophobicContact CE1-CD1 4.46Å; Y106-L140 HydrophobicContact CE1-CD2 3.95Å; Y106-L140 HydrophobicContact CE1-CG 3.85Å; Y106-L140 HydrophobicContact CE2-CD2 3.79Å; Y106-L140 HydrophobicContact CE2-CG 4.31Å; Y106-L140 HydrophobicContact CG-CD2 3.99Å; Y106-K141 WeakPolarHBondContact OH-CA 3.14Å; Y106-T144 HydrophobicContact CE1-CG2 4.09Å; Y106-T144 WeakPolarHBondContact CE1-OG1 3.16Å
107R93.7Very high97Very high250 Ų25060.4 Ų60.494%0.94332%0.319SS*.  trans-105.269.2173.3-63-173.1-176.8-171.21.4110.2
108L96.2Very high97Very high48 Ų4868.2 Ų68.225%0.25135%0.349SS..  trans-102.3148.7-179.8-63.5168.6000109.9H98 L101 Y106 F112 L116 L140H98-L108 PolarHBondContact CE1-O 3.05Å; H98-L108 VanDerWaalsContact CE1-O 3.32Å; L101-L108 HydrophobicContact CD1-CD1 4.03Å; Y106-L108 HydrophobicContact CG-CD1 4.38Å; L108-F112 HydrophobicContact CB-CD1 4.12Å; L108-F112 HydrophobicContact CD1-CD1 3.88Å; L108-F112 HydrophobicContact CD1-CE1 4.01Å; L108-F112 HydrophobicContact CD2-CD1 3.76Å; L108-F112 HydrophobicContact CD2-CE1 3.94Å; L108-F112 HydrophobicContact CG-CD1 4.11Å; L108-F112 HydrophobicContact CG-CE1 4.49Å; L108-L116 HydrophobicContact CD1-CD1 4.47Å; L108-L140 HydrophobicContact CD1-CD1 4.23Å; L108-L140 HydrophobicContact CD1-CD2 3.87Å
109S97.1Very high96.9Very high61 Ų6172.8 Ų72.843%0.42737%0.368SS..  trans-68.8153.5175.8670000111.1D111 F112 S113S109-D111 PolarHBondContact O-N 2.85Å; S109-F112 PolarHBondContact O-N 2.96Å; S109-F112 VanDerWaalsContact O-N 3.08Å; S109-F112 WeakPolarHBondContact OG-CB 3.47Å; S109-F112 PolarHBondContact OG-N 2.8Å; S109-S113 PolarHBondContact O-N 2.76Å; S109-S113 PolarHBondContact O-OG 3.48Å
110P97.4Very high96.8Very high85 Ų8572.6 Ų72.655%0.55236%0.364SS*.Hα-helixtrans-53.7-38.7172.4-27.535.8000112.9F112 S113 Q114P110-F112 VanDerWaalsContact C-N 3.35Å; P110-F112 PolarHBondContact O-N 2.83Å; P110-S113 WeakPolarHBondContact O-CB 3.3Å; P110-S113 PolarHBondContact O-N 2.92Å; P110-Q114 PolarHBondContact O-N 3.29Å
111D97.8Very high96.7Very high121 Ų12173.3 Ų73.365%0.64737%0.368SS*.Hα-helixtrans-63.3-39.7177.2-63.7-34.9000112.2S109 Q114 F115S109-D111 PolarHBondContact O-N 2.85Å; D111-Q114 PolarHBondContact O-N 3.46Å; D111-F115 WeakPolarHBondContact O-CB 3.35Å; D111-F115 PolarHBondContact O-N 2.92Å
112F97.1Very high96.2Very high82 Ų8279.5 Ų79.536%0.3640%0.395SS..Hα-helixtrans-70-38.6176-168.6-95.5000111.6L108 S109 P110 Q114 F115 L116L108-F112 HydrophobicContact CB-CD1 4.12Å; L108-F112 HydrophobicContact CD1-CD1 3.88Å; L108-F112 HydrophobicContact CD1-CE1 4.01Å; L108-F112 HydrophobicContact CD2-CD1 3.76Å; L108-F112 HydrophobicContact CD2-CE1 3.94Å; L108-F112 HydrophobicContact CG-CD1 4.11Å; L108-F112 HydrophobicContact CG-CE1 4.49Å; S109-F112 PolarHBondContact O-N 2.96Å; S109-F112 VanDerWaalsContact O-N 3.08Å; S109-F112 WeakPolarHBondContact OG-CB 3.47Å; S109-F112 PolarHBondContact OG-N 2.8Å; P110-F112 VanDerWaalsContact C-N 3.35Å; P110-F112 PolarHBondContact O-N 2.83Å; F112-Q114 VanDerWaalsContact C-N 3.32Å; F112-Q114 PolarHBondContact O-N 3.35Å; F112-F115 HydrophobicContact CD2-CD1 4.23Å; F112-F115 HydrophobicContact CE2-CD1 4.06Å; F112-F115 HydrophobicContact CE2-CE1 4.32Å; F112-F115 HydrophobicContact CZ-CD1 4.5Å; F112-F115 WeakPolarHBondContact O-CB 3.32Å; F112-F115 PolarHBondContact O-N 3.18Å; F112-L116 HydrophobicContact CD1-CD1 3.96Å; F112-L116 HydrophobicContact CD1-CG 4.13Å; F112-L116 HydrophobicContact CE1-CD1 3.72Å; F112-L116 HydrophobicContact CE1-CD2 4.13Å; F112-L116 HydrophobicContact CE1-CG 3.88Å; F112-L116 HydrophobicContact CZ-CD2 4.38Å; F112-L116 WeakPolarHBondContact O-CG 3.45Å; F112-L116 PolarHBondContact O-N 3.09Å
113S97.4Very high95.8Very high1 Ų180.5 Ų80.51%0.00739%0.394CS..Hα-helixtrans-60-42.6171.6-59.20000111.6H98 S109 P110 L116 V117H98-S113 PolarHBondContact ND1-OG 3.45Å; S109-S113 PolarHBondContact O-N 2.76Å; S109-S113 PolarHBondContact O-OG 3.48Å; P110-S113 WeakPolarHBondContact O-CB 3.3Å; P110-S113 PolarHBondContact O-N 2.92Å; S113-L116 PolarHBondContact O-N 3.23Å; S113-V117 PolarHBondContact O-N 2.89Å
114Q97.2Very high95.6Very high68 Ų6887.7 Ų87.732%0.31841%0.41SS..Hα-helixtrans-64.1-40.6174.7-176.1176.963.700112P110 D111 F112 L116 V117 R118P110-Q114 PolarHBondContact O-N 3.29Å; D111-Q114 PolarHBondContact O-N 3.46Å; F112-Q114 VanDerWaalsContact C-N 3.32Å; F112-Q114 PolarHBondContact O-N 3.35Å; Q114-L116 VanDerWaalsContact C-N 3.34Å; Q114-L116 PolarHBondContact O-N 3.29Å; Q114-V117 PolarHBondContact O-N 3.19Å; Q114-R118 WeakPolarHBondContact O-CG 3.3Å; Q114-R118 PolarHBondContact O-N 2.9Å
115F97.2Very high95.4Very high116 Ų11691 Ų9151%0.50942%0.42SS..Hα-helixtrans-57.9-45.5173.1163.9-99000111.6D111 F112 R118 K119D111-F115 WeakPolarHBondContact O-CB 3.35Å; D111-F115 PolarHBondContact O-N 2.92Å; F112-F115 HydrophobicContact CD2-CD1 4.23Å; F112-F115 HydrophobicContact CE2-CD1 4.06Å; F112-F115 HydrophobicContact CE2-CE1 4.32Å; F112-F115 HydrophobicContact CZ-CD1 4.5Å; F112-F115 WeakPolarHBondContact O-CB 3.32Å; F112-F115 PolarHBondContact O-N 3.18Å; F115-R118 PolarHBondContact O-N 3.19Å; F115-K119 WeakPolarHBondContact O-CB 3.46Å; F115-K119 PolarHBondContact O-N 3.18Å
116L97.2Very high95.4Very high17 Ų1789.9 Ų89.99%0.08941%0.408CS..Hα-helixtrans-61.8-47.5176.4-70177.6000111.5F97 L101 L108 F112 S113 Q114 R118 K119 F120 L140F97-L116 HydrophobicContact CE1-CB 3.8Å; F97-L116 HydrophobicContact CE1-CD1 4.07Å; L101-L116 HydrophobicContact CD1-CD1 4.01Å; L108-L116 HydrophobicContact CD1-CD1 4.47Å; F112-L116 HydrophobicContact CD1-CD1 3.96Å; F112-L116 HydrophobicContact CD1-CG 4.13Å; F112-L116 HydrophobicContact CE1-CD1 3.72Å; F112-L116 HydrophobicContact CE1-CD2 4.13Å; F112-L116 HydrophobicContact CE1-CG 3.88Å; F112-L116 HydrophobicContact CZ-CD2 4.38Å; F112-L116 WeakPolarHBondContact O-CG 3.45Å; F112-L116 PolarHBondContact O-N 3.09Å; S113-L116 PolarHBondContact O-N 3.23Å; Q114-L116 VanDerWaalsContact C-N 3.34Å; Q114-L116 PolarHBondContact O-N 3.29Å; L116-R118 VanDerWaalsContact C-N 3.34Å; L116-R118 PolarHBondContact O-N 3.48Å; L116-K119 WeakPolarHBondContact O-CB 3.39Å; L116-K119 PolarHBondContact O-N 3.42Å; L116-F120 HydrophobicContact CD2-CE2 4.45Å; L116-F120 VanDerWaalsContact O-CD2 3.24Å; L116-F120 WeakPolarHBondContact O-CD2 3.49Å; L116-F120 PolarHBondContact O-N 2.96Å; L116-F120 VanDerWaalsContact O-N 3.16Å; L116-L140 HydrophobicContact CD1-CD2 4.41Å
117V97.5Very high95.4Very high2 Ų288.5 Ų88.51%0.01241%0.405CS..Hα-helixtrans-57.1-48.5176.8171.50000110.8F97 S113 Q114 K119 F120 D121 V128F97-V117 HydrophobicContact CB-CG2 3.59Å; F97-V117 HydrophobicContact CD1-CG2 3.6Å; F97-V117 HydrophobicContact CD2-CG2 4.22Å; F97-V117 HydrophobicContact CE1-CG2 4.33Å; F97-V117 HydrophobicContact CG-CG2 3.54Å; S113-V117 PolarHBondContact O-N 2.89Å; Q114-V117 PolarHBondContact O-N 3.19Å; V117-K119 PolarHBondContact O-N 3.21Å; V117-F120 PolarHBondContact O-N 3.24Å; V117-F120 VanDerWaalsContact O-N 3.15Å; V117-D121 WeakPolarHBondContact O-CB 3.37Å; V117-D121 PolarHBondContact O-N 2.79Å; V117-V128 HydrophobicContact CG1-CG1 4.28Å
118R96.8Very high95.5Very high165 Ų16576.7 Ų76.762%0.62336%0.36SS*.Hα-helixtrans-60.8-32176.7-71.9177.9-178.6162.45113.3Q114 F115 L116 F120Q114-R118 WeakPolarHBondContact O-CG 3.3Å; Q114-R118 PolarHBondContact O-N 2.9Å; F115-R118 PolarHBondContact O-N 3.19Å; L116-R118 VanDerWaalsContact C-N 3.34Å; L116-R118 PolarHBondContact O-N 3.48Å; R118-F120 VanDerWaalsContact C-N 3.35Å
119K96.4Very high95.5Very high148 Ų14874.4 Ų74.464%0.64335%0.348SS*.Hα-helixtrans-68.1-34.2178.3-178.462.5172.7-174.40112.2F115 L116 V117F115-K119 WeakPolarHBondContact O-CB 3.46Å; F115-K119 PolarHBondContact O-N 3.18Å; L116-K119 WeakPolarHBondContact O-CB 3.39Å; L116-K119 PolarHBondContact O-N 3.42Å; V117-K119 PolarHBondContact O-N 3.21Å
120F95.4Very high95.5Very high31 Ų3172.1 Ų72.114%0.13633%0.331CS..Hα-helixtrans-104.1-15.5-176.2-68.1-79.1000113.9L116 V117 R118 K122 V128 N132 L135 A136 C139L116-F120 HydrophobicContact CD2-CE2 4.45Å; L116-F120 VanDerWaalsContact O-CD2 3.24Å; L116-F120 WeakPolarHBondContact O-CD2 3.49Å; L116-F120 PolarHBondContact O-N 2.96Å; L116-F120 VanDerWaalsContact O-N 3.16Å; V117-F120 PolarHBondContact O-N 3.24Å; V117-F120 VanDerWaalsContact O-N 3.15Å; R118-F120 VanDerWaalsContact C-N 3.35Å; F120-K122 PolarHBondContact O-N 3.19Å; F120-V128 HydrophobicContact CB-CG1 4.02Å; F120-N132 HydrophobicContact CB-CB 4.22Å; F120-N132 PolarHBondContact O-ND2 3.08Å; F120-L135 HydrophobicContact CD1-CD2 4.16Å; F120-L135 HydrophobicContact CD1-CG 4.27Å; F120-L135 HydrophobicContact CE1-CB 4.44Å; F120-L135 HydrophobicContact CE1-CD2 4.02Å; F120-L135 HydrophobicContact CE1-CG 3.86Å; F120-A136 HydrophobicContact CB-CB 4.47Å; F120-A136 HydrophobicContact CD1-CB 4.29Å; F120-A136 HydrophobicContact CD2-CB 3.39Å; F120-A136 HydrophobicContact CE1-CB 4.43Å; F120-A136 HydrophobicContact CE2-CB 3.57Å; F120-A136 HydrophobicContact CG-CB 3.81Å; F120-A136 HydrophobicContact CZ-CB 4.1Å; F120-C139 HydrophobicContact CZ-CB 4.23Å
121D95.1Very high95.5Very high15 Ų1568.1 Ų68.18%0.0831%0.305CS..  trans-77.582.3172.7177.214.1000111.1V117 Q123 R124 R125 G126 V128V117-D121 WeakPolarHBondContact O-CB 3.37Å; V117-D121 PolarHBondContact O-N 2.79Å; D121-Q123 PolarHBondContact O-N 3.21Å; D121-Q123 PolarHBondContact OD1-N 3.49Å; D121-Q123 VanDerWaalsContact OD1-N 3.17Å; D121-R124 PolarHBondContact O-N 3.45Å; D121-R124 PolarHBondContact OD1-N 3.29Å; D121-R124 WeakPolarHBondContact OD2-CA 3.18Å; D121-R124 PolarHBondContact OD2-N 3.47Å; D121-R125 PolarHBondContact OD1-N 2.84Å; D121-R125 PolarHBondContact OD2-N 3.25Å; D121-G126 PolarHBondContact OD2-N 3.28Å; D121-V128 HydrophobicContact CB-CG1 4.21Å
122K88.3Confident95.5Very high131 Ų13162.8 Ų62.857%0.5728%0.276SS*.THydrogen-bonded Turntrans-62.9-24.4177.6-62.8-174.8-173.9173.50113.1N43 F120N43-K122 PolarHBondContact ND2-NZ 3.01Å; N43-K122 PolarHBondContact OD1-NZ 3Å; F120-K122 PolarHBondContact O-N 3.19Å
123Q89.5Confident95.5Very high97 Ų9758.9 Ų58.945%0.45326%0.259SS..THydrogen-bonded Turntrans-94.6-4.5-174.2-58.4-58.3-3700112.8D121 R125D121-Q123 PolarHBondContact O-N 3.21Å; D121-Q123 PolarHBondContact OD1-N 3.49Å; D121-Q123 VanDerWaalsContact OD1-N 3.17Å; Q123-R125 HydrophobicContact CB-CG 3.94Å; Q123-R125 PolarHBondContact O-N 2.86Å
124R92.4Very high95.4Very high228 Ų22858.8 Ų58.886%0.8626%0.259SS*.  trans5538.6-178.8-55.5-177.5178.7-166.90.2112.9D121D121-R124 PolarHBondContact O-N 3.45Å; D121-R124 PolarHBondContact OD1-N 3.29Å; D121-R124 WeakPolarHBondContact OD2-CA 3.18Å; D121-R124 PolarHBondContact OD2-N 3.47Å
125R91.9Very high95.3Very high142 Ų14256.7 Ų56.754%0.53625%0.249SC..SBendtrans-85.6-9.9177.8-67.4-176.6179.9-175.63.2113.3L38 D121 Q123 S127L38-R125 PolarHBondContact O-NH1 3.5Å; D121-R125 PolarHBondContact OD1-N 2.84Å; D121-R125 PolarHBondContact OD2-N 3.25Å; Q123-R125 HydrophobicContact CB-CG 3.94Å; Q123-R125 PolarHBondContact O-N 2.86Å; R125-S127 VanDerWaalsContact C-N 3.28Å
126G94.6Very high95.3Very high39 Ų3951.3 Ų51.340%0.40223%0.226SC..SBendtrans82.26.7-172.400000113.6D121D121-G126 PolarHBondContact OD2-N 3.28Å
127S96.2Very high95.3Very high12 Ų1250.9 Ų50.98%0.08423%0.225CC..EExtended strand (participates in β ladder)trans-143.3161-179.766.70000111.2T91 I92 R125T91-S127 WeakPolarHBondContact CB-OG 3.23Å; T91-S127 WeakPolarHBondContact OG1-CB 3.43Å; T91-S127 PolarHBondContact OG1-OG 3.07Å; T91-S127 VanDerWaalsContact OG1-OG 3.05Å; I92-S127 CarbonylContact O-C 3.55Å; I92-S127 VanDerWaalsContact O-CA 3.23Å; I92-S127 WeakPolarHBondContact O-CA 3.35Å; I92-S127 WeakPolarHBondContact O-CB 3.34Å; R125-S127 VanDerWaalsContact C-N 3.28Å
128V96.8Very high95.1Very high1 Ų151.3 Ų51.31%0.00623%0.227CC..EExtended strand (participates in β ladder)trans-112.6139.6175.6-69.80000111I92 F97 V117 F120 D121 N132 F133I92-V128 HydrophobicContact CB-CG2 4.07Å; I92-V128 HydrophobicContact CG2-CG2 4.43Å; I92-V128 PolarHBondContact N-O 2.93Å; I92-V128 PolarHBondContact O-N 3.29Å; F97-V128 HydrophobicContact CD2-CG2 4.23Å; F97-V128 HydrophobicContact CE2-CG2 4.5Å; V117-V128 HydrophobicContact CG1-CG1 4.28Å; F120-V128 HydrophobicContact CB-CG1 4.02Å; D121-V128 HydrophobicContact CB-CG1 4.21Å; V128-N132 HydrophobicContact CB-CB 4.04Å; V128-N132 HydrophobicContact CG1-CB 4.24Å; V128-F133 HydrophobicContact CG2-CB 4.15Å
129G96.7Very high95Very high0 Ų045.6 Ų45.60%021%0.212CC..  trans-72.6171.8168.600000112N36 D131 N132 F133N36-G129 VanDerWaalsContact O-CA 3.31Å; N36-G129 WeakPolarHBondContact O-CA 3.2Å; G129-D131 VanDerWaalsContact C-N 3.31Å; G129-D131 PolarHBondContact O-N 3.31Å; G129-N132 PolarHBondContact O-N 2.73Å; G129-F133 WeakPolarHBondContact O-CB 3.33Å; G129-F133 PolarHBondContact O-N 2.87Å
130F97.1Very high95Very high13 Ų1339.4 Ų39.46%0.05719%0.186CC..Hα-helixtrans-54.4-43.8-176.7176.6-127.4000113.6N36 F42 V74 W77 Q78 F81 N132 F133 I134N36-F130 PolarHBondContact O-N 3.08Å; F42-F130 AromaticContact CE2-CD1 3.84Å; F42-F130 HydrophobicContact CE2-CD1 3.84Å; F42-F130 HydrophobicContact CE2-CE1 4.32Å; F42-F130 HydrophobicContact CZ-CD1 4.27Å; F42-F130 HydrophobicContact CZ-CE1 4.47Å; V74-F130 HydrophobicContact CG1-CE1 4.25Å; V74-F130 HydrophobicContact CG1-CZ 4.39Å; W77-F130 HydrophobicContact CB-CE2 3.72Å; W77-F130 HydrophobicContact CB-CZ 3.74Å; Q78-F130 HydrophobicContact CB-CZ 4.33Å; Q78-F130 HydrophobicContact CG-CE1 3.75Å; Q78-F130 HydrophobicContact CG-CE2 4.02Å; Q78-F130 HydrophobicContact CG-CZ 3.45Å; Q78-F130 VanDerWaalsContact CG-CZ 3.45Å; F81-F130 HydrophobicContact CB-CD2 3.8Å; F81-F130 HydrophobicContact CB-CE2 4.08Å; F81-F130 HydrophobicContact CD2-CB 4.27Å; F81-F130 AromaticContact CD2-CD2 3.79Å; F81-F130 HydrophobicContact CD2-CD2 3.79Å; F81-F130 VanDerWaalsContact CE2-CA 3.45Å; F81-F130 HydrophobicContact CE2-CB 4.11Å; F81-F130 HydrophobicContact CE2-CD2 4.46Å; F81-F130 AromaticContact CG-CD2 3.79Å; F81-F130 HydrophobicContact CG-CD2 3.79Å; F81-F130 HydrophobicContact CZ-CB 4.28Å; F130-N132 PolarHBondContact O-N 3.43Å; F130-F133 PolarHBondContact O-N 3.25Å; F130-I134 HydrophobicContact CD1-CD1 4.16Å; F130-I134 HydrophobicContact CD2-CD1 3.93Å; F130-I134 HydrophobicContact CD2-CG1 4.29Å; F130-I134 HydrophobicContact CE1-CD1 3.7Å; F130-I134 HydrophobicContact CE2-CD1 3.46Å; F130-I134 VanDerWaalsContact CE2-CD1 3.46Å; F130-I134 HydrophobicContact CE2-CG1 3.94Å; F130-I134 HydrophobicContact CG-CD1 4.25Å; F130-I134 HydrophobicContact CZ-CD1 3.32Å; F130-I134 HydrophobicContact CZ-CG1 4.27Å; F130-I134 WeakPolarHBondContact O-CD1 3.45Å; F130-I134 VanDerWaalsContact O-CG1 3.31Å; F130-I134 WeakPolarHBondContact O-CG1 3.31Å; F130-I134 PolarHBondContact O-N 3.48Å; F130-I134 VanDerWaalsContact O-N 3.13Å
131D96.9Very high95Very high2 Ų242.9 Ų42.91%0.01120%0.201CC..Hα-helixtrans-59.7-45.6178.456.4-9.5000113.7N36 F42 N43 T46 G129 L135N36-D131 HydrophobicContact CB-CB 4.01Å; N36-D131 VanDerWaalsContact CB-OD1 3.29Å; N36-D131 WeakPolarHBondContact CB-OD1 3.44Å; N36-D131 WeakPolarHBondContact CB-OD2 3.48Å; N36-D131 PolarHBondContact ND2-OD2 3.35Å; F42-D131 HydrophobicContact CD1-CB 3.55Å; F42-D131 HydrophobicContact CD2-CB 3.75Å; F42-D131 HydrophobicContact CE1-CB 3.42Å; F42-D131 VanDerWaalsContact CE1-CB 3.42Å; F42-D131 HydrophobicContact CE2-CB 3.6Å; F42-D131 HydrophobicContact CG-CB 3.74Å; F42-D131 HydrophobicContact CZ-CB 3.44Å; F42-D131 VanDerWaalsContact CZ-CB 3.44Å; N43-D131 HydrophobicContact CB-CB 4.02Å; N43-D131 WeakPolarHBondContact CB-OD2 3.28Å; N43-D131 PolarHBondContact N-OD2 2.82Å; T46-D131 VanDerWaalsContact CG2-O 3.31Å; T46-D131 WeakPolarHBondContact CG2-O 3.35Å; T46-D131 PolarHBondContact OG1-O 3.25Å; G129-D131 VanDerWaalsContact C-N 3.31Å; G129-D131 PolarHBondContact O-N 3.31Å; D131-L135 WeakPolarHBondContact O-CB 3.25Å; D131-L135 PolarHBondContact O-N 2.86Å; D131-L135 VanDerWaalsContact O-N 3.1Å
132N97Very high94.9Very high8 Ų844.9 Ų44.94%0.04321%0.212CC..Hα-helixtrans-78.6-30.1-177.4-73.1-40.3000111.6N43 F120 V128 G129 F130 A136N43-N132 PolarHBondContact ND2-OD1 3.43Å; F120-N132 HydrophobicContact CB-CB 4.22Å; F120-N132 PolarHBondContact O-ND2 3.08Å; V128-N132 HydrophobicContact CB-CB 4.04Å; V128-N132 HydrophobicContact CG1-CB 4.24Å; G129-N132 PolarHBondContact O-N 2.73Å; F130-N132 PolarHBondContact O-N 3.43Å; N132-A136 VanDerWaalsContact O-CB 3.23Å; N132-A136 WeakPolarHBondContact O-CB 3.32Å; N132-A136 PolarHBondContact O-N 3.3Å
133F97.2Very high95.2Very high0 Ų043 Ų430%021%0.207CC..Hα-helixtrans-60.4-49.7169.6177.5-102.7000111.4W77 F81 Y84 I92 F97 A100 F104 V128 G129 F130 A136 C137W77-F133 HydrophobicContact CE3-CD1 4.24Å; W77-F133 AromaticContact CE3-CE1 3.91Å; W77-F133 HydrophobicContact CE3-CE1 3.91Å; W77-F133 HydrophobicContact CZ3-CD1 4.22Å; W77-F133 AromaticContact CZ3-CE1 3.69Å; W77-F133 HydrophobicContact CZ3-CE1 3.69Å; F81-F133 HydrophobicContact CD2-CB 3.89Å; F81-F133 AromaticContact CD2-CD1 3.76Å; F81-F133 HydrophobicContact CD2-CD1 3.76Å; F81-F133 HydrophobicContact CD2-CE1 4.46Å; F81-F133 AromaticContact CD2-CG 3.84Å; F81-F133 HydrophobicContact CD2-CG 3.84Å; F81-F133 HydrophobicContact CE2-CB 3.92Å; F81-F133 HydrophobicContact CE2-CG 4.26Å; Y84-F133 HydrophobicContact CD2-CZ 4.37Å; I92-F133 HydrophobicContact CB-CD2 4.34Å; I92-F133 HydrophobicContact CG1-CD2 4.2Å; I92-F133 HydrophobicContact CG2-CD2 4.17Å; I92-F133 HydrophobicContact CG2-CE2 4.35Å; F97-F133 AromaticContact CD2-CD2 3.64Å; F97-F133 HydrophobicContact CD2-CD2 3.64Å; F97-F133 AromaticContact CD2-CE2 3.81Å; F97-F133 HydrophobicContact CD2-CE2 3.81Å; F97-F133 AromaticContact CE2-CD2 3.56Å; F97-F133 HydrophobicContact CE2-CD2 3.56Å; F97-F133 AromaticContact CE2-CE2 3.86Å; F97-F133 HydrophobicContact CE2-CE2 3.86Å; A100-F133 HydrophobicContact CB-CE2 4.02Å; A100-F133 HydrophobicContact CB-CZ 4.1Å; F104-F133 HydrophobicContact CE2-CZ 4.07Å; F104-F133 AromaticContact CZ-CZ 3.99Å; F104-F133 HydrophobicContact CZ-CZ 3.99Å; V128-F133 HydrophobicContact CG2-CB 4.15Å; G129-F133 WeakPolarHBondContact O-CB 3.33Å; G129-F133 PolarHBondContact O-N 2.87Å; F130-F133 PolarHBondContact O-N 3.25Å; F133-A136 PolarHBondContact O-N 3.36Å; F133-C137 PolarHBondContact O-N 2.96Å; F133-C137 PolarHBondContact O-SG 3.4Å
134I96.4Very high95.5Very high0 Ų039.8 Ų39.80%019%0.194CC..Hα-helixtrans-59-50.8176.5-64.6161.9000110F42 T46 M50 W77 F130 A136 C137 V138F42-I134 HydrophobicContact CZ-CD1 4.46Å; T46-I134 HydrophobicContact CG2-CB 4.06Å; T46-I134 HydrophobicContact CG2-CG2 3.97Å; M50-I134 HydrophobicContact CE-CD1 3.43Å; M50-I134 VanDerWaalsContact CE-CD1 3.43Å; M50-I134 HydrophobicContact CE-CG2 4.05Å; W77-I134 HydrophobicContact CB-CD1 4.1Å; W77-I134 HydrophobicContact CB-CG1 4.1Å; W77-I134 HydrophobicContact CD2-CG1 3.89Å; W77-I134 HydrophobicContact CD2-CG2 4.47Å; W77-I134 HydrophobicContact CE3-CG1 4.1Å; W77-I134 HydrophobicContact CG-CD1 4.25Å; W77-I134 HydrophobicContact CG-CG1 3.9Å; F130-I134 HydrophobicContact CD1-CD1 4.16Å; F130-I134 HydrophobicContact CD2-CD1 3.93Å; F130-I134 HydrophobicContact CD2-CG1 4.29Å; F130-I134 HydrophobicContact CE1-CD1 3.7Å; F130-I134 HydrophobicContact CE2-CD1 3.46Å; F130-I134 VanDerWaalsContact CE2-CD1 3.46Å; F130-I134 HydrophobicContact CE2-CG1 3.94Å; F130-I134 HydrophobicContact CG-CD1 4.25Å; F130-I134 HydrophobicContact CZ-CD1 3.32Å; F130-I134 HydrophobicContact CZ-CG1 4.27Å; F130-I134 WeakPolarHBondContact O-CD1 3.45Å; F130-I134 VanDerWaalsContact O-CG1 3.31Å; F130-I134 WeakPolarHBondContact O-CG1 3.31Å; F130-I134 PolarHBondContact O-N 3.48Å; F130-I134 VanDerWaalsContact O-N 3.13Å; I134-A136 VanDerWaalsContact C-N 3.31Å; I134-A136 PolarHBondContact O-N 3.45Å; I134-C137 PolarHBondContact O-N 3.24Å; I134-V138 HydrophobicContact CG2-CG2 4.18Å; I134-V138 WeakPolarHBondContact O-CG2 3.29Å; I134-V138 PolarHBondContact O-N 2.93Å
135L95.8Very high95.6Very high24 Ų2431.5 Ų31.513%0.12617%0.167CC..Hα-helixtrans-59.6-42.2-178.3-173.861000112.3N43 K45 T46 L49 F120 D131 C139N43-L135 VanDerWaalsContact ND2-CD2 3.34Å; N43-L135 WeakPolarHBondContact ND2-CD2 3.46Å; K45-L135 HydrophobicContact CB-CD1 4.5Å; K45-L135 HydrophobicContact CB-CD2 4.05Å; T46-L135 WeakPolarHBondContact OG1-CB 3.32Å; L49-L135 HydrophobicContact CD2-CD1 4.15Å; F120-L135 HydrophobicContact CD1-CD2 4.16Å; F120-L135 HydrophobicContact CD1-CG 4.27Å; F120-L135 HydrophobicContact CE1-CB 4.44Å; F120-L135 HydrophobicContact CE1-CD2 4.02Å; F120-L135 HydrophobicContact CE1-CG 3.86Å; D131-L135 WeakPolarHBondContact O-CB 3.25Å; D131-L135 PolarHBondContact O-N 2.86Å; D131-L135 VanDerWaalsContact O-N 3.1Å; L135-C139 WeakPolarHBondContact O-CB 3.33Å; L135-C139 PolarHBondContact O-N 3.49Å
136A96.4Very high95.7Very high2 Ų226.4 Ų26.42%0.01715%0.152CC..Hα-helixtrans-62.7-45.8177.200000111.7F97 F120 N132 F133 I134 L140F97-A136 HydrophobicContact CE2-CB 4.09Å; F97-A136 HydrophobicContact CZ-CB 3.71Å; F120-A136 HydrophobicContact CB-CB 4.47Å; F120-A136 HydrophobicContact CD1-CB 4.29Å; F120-A136 HydrophobicContact CD2-CB 3.39Å; F120-A136 HydrophobicContact CE1-CB 4.43Å; F120-A136 HydrophobicContact CE2-CB 3.57Å; F120-A136 HydrophobicContact CG-CB 3.81Å; F120-A136 HydrophobicContact CZ-CB 4.1Å; N132-A136 VanDerWaalsContact O-CB 3.23Å; N132-A136 WeakPolarHBondContact O-CB 3.32Å; N132-A136 PolarHBondContact O-N 3.3Å; F133-A136 PolarHBondContact O-N 3.36Å; I134-A136 VanDerWaalsContact C-N 3.31Å; I134-A136 PolarHBondContact O-N 3.45Å; A136-L140 VanDerWaalsContact O-CB 3.31Å; A136-L140 WeakPolarHBondContact O-CB 3.23Å; A136-L140 PolarHBondContact O-N 3Å
137C96.7Very high95.8Very high9 Ų928.2 Ų28.26%0.06115%0.149CC..Hα-helixtrans-67.5-42.4-179.2-650000112.4W77 F133 I134 L140 K141W77-C137 HydrophobicContact CH2-CB 3.57Å; W77-C137 HydrophobicContact CZ3-CB 4.06Å; F133-C137 PolarHBondContact O-N 2.96Å; F133-C137 PolarHBondContact O-SG 3.4Å; I134-C137 PolarHBondContact O-N 3.24Å; C137-L140 PolarHBondContact O-N 3.43Å; C137-K141 WeakPolarHBondContact O-CB 3.49Å; C137-K141 PolarHBondContact O-N 3.25Å
138V94.4Very high95.7Very high11 Ų1134.9 Ų34.97%0.06717%0.172CC..Hα-helixtrans-68.5-42.7178177.70000110.8L49 W77 I134 L140 K141 N142L49-V138 HydrophobicContact CD1-CG1 3.97Å; L49-V138 HydrophobicContact CD2-CB 3.81Å; L49-V138 HydrophobicContact CD2-CG1 3.69Å; L49-V138 HydrophobicContact CD2-CG2 4.09Å; L49-V138 HydrophobicContact CG-CG1 4.34Å; W77-V138 HydrophobicContact CZ2-CG2 4.19Å; I134-V138 HydrophobicContact CG2-CG2 4.18Å; I134-V138 WeakPolarHBondContact O-CG2 3.29Å; I134-V138 PolarHBondContact O-N 2.93Å; V138-L140 PolarHBondContact O-N 2.8Å; V138-K141 PolarHBondContact O-N 2.92Å; V138-N142 VanDerWaalsContact O-CG 3.29Å; V138-N142 PolarHBondContact O-N 3.12Å; V138-N142 PolarHBondContact O-OD1 3.27Å
139C93.9Very high95.6Very high45 Ų4538.5 Ų38.530%0.30420%0.196SC..Hα-helixtrans-59.4-46.5175-177.30000111.5F120 L135 K141 N142 L143F120-C139 HydrophobicContact CZ-CB 4.23Å; L135-C139 WeakPolarHBondContact O-CB 3.33Å; L135-C139 PolarHBondContact O-N 3.49Å; C139-K141 VanDerWaalsContact C-N 3.33Å; C139-K141 PolarHBondContact O-N 3.31Å; C139-N142 PolarHBondContact O-N 3.36Å; C139-L143 WeakPolarHBondContact O-CB 3.35Å; C139-L143 VanDerWaalsContact O-CG 3.32Å; C139-L143 WeakPolarHBondContact O-CG 3.34Å; C139-L143 PolarHBondContact O-N 3.13Å
140L95.8Very high95.6Very high17 Ų1740.7 Ų40.79%0.08920%0.204CC..Hα-helixtrans-60.5-42.7175.8179.863000111.8L101 Y106 L108 L116 A136 C137 V138 T144L101-L140 HydrophobicContact CD1-CD2 4.47Å; L101-L140 HydrophobicContact CD2-CD2 3.49Å; L101-L140 VanDerWaalsContact CD2-CD2 3.49Å; Y106-L140 HydrophobicContact CD1-CD2 4.02Å; Y106-L140 HydrophobicContact CD1-CG 4.31Å; Y106-L140 HydrophobicContact CD2-CD2 3.87Å; Y106-L140 HydrophobicContact CE1-CD1 4.46Å; Y106-L140 HydrophobicContact CE1-CD2 3.95Å; Y106-L140 HydrophobicContact CE1-CG 3.85Å; Y106-L140 HydrophobicContact CE2-CD2 3.79Å; Y106-L140 HydrophobicContact CE2-CG 4.31Å; Y106-L140 HydrophobicContact CG-CD2 3.99Å; L108-L140 HydrophobicContact CD1-CD1 4.23Å; L108-L140 HydrophobicContact CD1-CD2 3.87Å; L116-L140 HydrophobicContact CD1-CD2 4.41Å; A136-L140 VanDerWaalsContact O-CB 3.31Å; A136-L140 WeakPolarHBondContact O-CB 3.23Å; A136-L140 PolarHBondContact O-N 3Å; C137-L140 PolarHBondContact O-N 3.43Å; V138-L140 PolarHBondContact O-N 2.8Å; L140-T144 VanDerWaalsContact O-CB 3.28Å; L140-T144 WeakPolarHBondContact O-CB 3.46Å; L140-T144 PolarHBondContact O-N 3.35Å; L140-T144 PolarHBondContact O-OG1 3.21Å
141K95.2Very high95.5Very high104 Ų10441 Ų4145%0.45221%0.207SC..Hα-helixtrans-61.9-49.2176.9-176.4-173.6175.5-600111.5Y106 C137 V138 C139 L143 T144 D145Y106-K141 WeakPolarHBondContact OH-CA 3.14Å; C137-K141 WeakPolarHBondContact O-CB 3.49Å; C137-K141 PolarHBondContact O-N 3.25Å; V138-K141 PolarHBondContact O-N 2.92Å; C139-K141 VanDerWaalsContact C-N 3.33Å; C139-K141 PolarHBondContact O-N 3.31Å; K141-L143 VanDerWaalsContact C-N 3.35Å; K141-L143 PolarHBondContact O-N 2.94Å; K141-T144 CarbonylContact O-C 3.53Å; K141-T144 WeakPolarHBondContact O-CB 3.38Å; K141-T144 PolarHBondContact O-N 3.21Å; K141-T144 VanDerWaalsContact O-N 3.1Å; K141-D145 IonicContact NZ-OD2 2.63Å; K141-D145 PolarHBondContact NZ-OD2 3.25Å; K141-D145 PolarHBondContact O-N 2.93Å
142N93.5Very high95.3Very high58 Ų5850.1 Ų50.131%0.3124%0.242SC..Hα-helixtrans-61.1-44.9-179.3-69-1.4000111.1V138 C139 T144 D145 V146 V172V138-N142 VanDerWaalsContact O-CG 3.29Å; V138-N142 PolarHBondContact O-N 3.12Å; V138-N142 PolarHBondContact O-OD1 3.27Å; C139-N142 PolarHBondContact O-N 3.36Å; N142-T144 VanDerWaalsContact C-N 3.3Å; N142-T144 PolarHBondContact O-N 3.23Å; N142-D145 PolarHBondContact O-N 3.04Å; N142-V146 WeakPolarHBondContact O-CG2 3.35Å; N142-V146 PolarHBondContact O-N 3.31Å; N142-V172 HydrophobicContact CB-CG1 4.28Å
143L95.3Very high95.1Very high91 Ų9157.3 Ų57.348%0.47628%0.276SS..Hα-helixtrans-60.5-40.8173.8-72.5166.4000111.9C139 K141 V146 F147 V172C139-L143 WeakPolarHBondContact O-CB 3.35Å; C139-L143 VanDerWaalsContact O-CG 3.32Å; C139-L143 WeakPolarHBondContact O-CG 3.34Å; C139-L143 PolarHBondContact O-N 3.13Å; K141-L143 VanDerWaalsContact C-N 3.35Å; K141-L143 PolarHBondContact O-N 2.94Å; L143-V146 PolarHBondContact O-N 2.94Å; L143-F147 VanDerWaalsContact O-CB 3.28Å; L143-F147 WeakPolarHBondContact O-CB 3.4Å; L143-F147 PolarHBondContact O-N 2.88Å; L143-V172 HydrophobicContact CD2-CB 4.47Å; L143-V172 HydrophobicContact CD2-CG1 4.03Å; L143-V172 HydrophobicContact CD2-CG2 4.13Å; L143-V172 HydrophobicContact CG-CG1 4.18Å
144T95.3Very high94.9Very high29 Ų2968.2 Ų68.218%0.17832%0.317CS..Hα-helixtrans-65.7-42.8178.1-61.10000111.7Y106 L140 K141 N142 V146 F147 R148Y106-T144 HydrophobicContact CE1-CG2 4.09Å; Y106-T144 WeakPolarHBondContact CE1-OG1 3.16Å; L140-T144 VanDerWaalsContact O-CB 3.28Å; L140-T144 WeakPolarHBondContact O-CB 3.46Å; L140-T144 PolarHBondContact O-N 3.35Å; L140-T144 PolarHBondContact O-OG1 3.21Å; K141-T144 CarbonylContact O-C 3.53Å; K141-T144 WeakPolarHBondContact O-CB 3.38Å; K141-T144 PolarHBondContact O-N 3.21Å; K141-T144 VanDerWaalsContact O-N 3.1Å; N142-T144 VanDerWaalsContact C-N 3.3Å; N142-T144 PolarHBondContact O-N 3.23Å; T144-V146 VanDerWaalsContact C-N 3.32Å; T144-V146 PolarHBondContact O-N 2.9Å; T144-F147 PolarHBondContact O-N 3.02Å; T144-R148 HydrophobicContact CG2-CG 4.34Å; T144-R148 WeakPolarHBondContact O-CB 3.15Å; T144-R148 VanDerWaalsContact O-CG 3.26Å; T144-R148 WeakPolarHBondContact O-CG 3.39Å; T144-R148 PolarHBondContact O-N 2.82Å
145D94.7Very high94.9Very high55 Ų5572.4 Ų72.429%0.29434%0.339SS..Hα-helixtrans-67.7-34.2179.8-71.7-24.5000112K141 N142 R148 P149K141-D145 IonicContact NZ-OD2 2.63Å; K141-D145 PolarHBondContact NZ-OD2 3.25Å; K141-D145 PolarHBondContact O-N 2.93Å; N142-D145 PolarHBondContact O-N 3.04Å; D145-R148 IonicContact OD1-CZ 3.73Å; D145-R148 IonicContact OD1-NH1 2.78Å; D145-R148 PolarHBondContact OD1-NH1 2.95Å; D145-P149 WeakPolarHBondContact O-CD 3.34Å
146V94.9Very high94.8Very high35 Ų3573.4 Ų73.421%0.21236%0.355CS..Hα-helixtrans-73.1-33.6172.7171.40000112.3N142 L143 T144 P149 Y150 A168 S171 V172N142-V146 WeakPolarHBondContact O-CG2 3.35Å; N142-V146 PolarHBondContact O-N 3.31Å; L143-V146 PolarHBondContact O-N 2.94Å; T144-V146 VanDerWaalsContact C-N 3.32Å; T144-V146 PolarHBondContact O-N 2.9Å; V146-P149 WeakPolarHBondContact O-CD 3.34Å; V146-Y150 VanDerWaalsContact O-CD2 3.25Å; V146-Y150 WeakPolarHBondContact O-CD2 3.48Å; V146-Y150 WeakPolarHBondContact O-CE2 3.4Å; V146-A168 HydrophobicContact CG1-CB 3.39Å; V146-A168 WeakPolarHBondContact CG1-O 3.39Å; V146-S171 WeakPolarHBondContact CG2-OG 3.38Å; V146-V172 HydrophobicContact CB-CG2 4.16Å; V146-V172 HydrophobicContact CG1-CG2 4.49Å; V146-V172 HydrophobicContact CG2-CG2 3.68Å
147F95.5Very high94.7Very high76 Ų7680 Ų8033%0.33339%0.388SS..Hα-helixtrans-71.9-40.1177.7179.5-96.9000112.9L143 T144 Y150 D151 A158L143-F147 VanDerWaalsContact O-CB 3.28Å; L143-F147 WeakPolarHBondContact O-CB 3.4Å; L143-F147 PolarHBondContact O-N 2.88Å; T144-F147 PolarHBondContact O-N 3.02Å; F147-Y150 PolarHBondContact O-N 3.04Å; F147-D151 HydrophobicContact CD1-CB 4.05Å; F147-D151 HydrophobicContact CE1-CB 3.48Å; F147-D151 VanDerWaalsContact CE1-CB 3.48Å; F147-D151 HydrophobicContact CZ-CB 4.03Å; F147-D151 PolarHBondContact O-N 3.46Å; F147-A158 HydrophobicContact CD2-CB 4.28Å; F147-A158 HydrophobicContact CE2-CB 3.56Å; F147-A158 HydrophobicContact CZ-CB 3.85Å
148R94.9Very high94.6Very high152 Ų15281.2 Ų81.257%0.57440%0.398SS*.THydrogen-bonded Turntrans-51.1-44.3-172.5-87.8170.4179.2167.2-3.4115.3T144 D145 Y150 D151T144-R148 HydrophobicContact CG2-CG 4.34Å; T144-R148 WeakPolarHBondContact O-CB 3.15Å; T144-R148 VanDerWaalsContact O-CG 3.26Å; T144-R148 WeakPolarHBondContact O-CG 3.39Å; T144-R148 PolarHBondContact O-N 2.82Å; D145-R148 IonicContact OD1-CZ 3.73Å; D145-R148 IonicContact OD1-NH1 2.78Å; D145-R148 PolarHBondContact OD1-NH1 2.95Å; R148-Y150 PolarHBondContact O-N 3.29Å; R148-D151 PolarHBondContact O-N 3.04Å
149P94.5Very high94.7Very high78 Ų7889.5 Ų89.551%0.50644%0.436SS..THydrogen-bonded Turntrans-61.4-23.6177.7-26.335.3000114.5D145 V146 Y152D145-P149 WeakPolarHBondContact O-CD 3.34Å; V146-P149 WeakPolarHBondContact O-CD 3.34Å; P149-Y152 VanDerWaalsContact O-CE1 3.27Å; P149-Y152 WeakPolarHBondContact O-CE1 3.08Å; P149-Y152 VanDerWaalsContact O-CZ 3.27Å
150Y95.4Very high94.7Very high46 Ų4690.1 Ų90.118%0.1844%0.436CS..THydrogen-bonded Turntrans-93.4-19.3-179.9-57.8-80.3000113.3V146 F147 R148 Y152 L160 Q164 A168V146-Y150 VanDerWaalsContact O-CD2 3.25Å; V146-Y150 WeakPolarHBondContact O-CD2 3.48Å; V146-Y150 WeakPolarHBondContact O-CE2 3.4Å; F147-Y150 PolarHBondContact O-N 3.04Å; R148-Y150 PolarHBondContact O-N 3.29Å; Y150-Y152 VanDerWaalsContact C-N 3.31Å; Y150-Y152 WeakPolarHBondContact O-CD2 3.48Å; Y150-Y152 PolarHBondContact O-N 3.11Å; Y150-L160 HydrophobicContact CD1-CD2 4.14Å; Y150-L160 HydrophobicContact CD1-CG 3.97Å; Y150-L160 HydrophobicContact CD2-CD2 4.06Å; Y150-L160 HydrophobicContact CE1-CD2 4.22Å; Y150-L160 HydrophobicContact CE1-CG 4.38Å; Y150-L160 HydrophobicContact CE2-CD2 4.15Å; Y150-L160 HydrophobicContact CG-CD1 4.38Å; Y150-L160 HydrophobicContact CG-CD2 4.05Å; Y150-L160 HydrophobicContact CG-CG 4.07Å; Y150-Q164 HydrophobicContact CE1-CB 3.96Å; Y150-Q164 HydrophobicContact CE1-CG 4.1Å; Y150-A168 HydrophobicContact CE2-CB 4.15Å
151D95.6Very high94.8Very high20 Ų2092.1 Ų92.111%0.10745%0.451CS..  trans-87.866.4173.3-177.914.7000111F147 R148 Q153 R154 N155 G156F147-D151 HydrophobicContact CD1-CB 4.05Å; F147-D151 HydrophobicContact CE1-CB 3.48Å; F147-D151 VanDerWaalsContact CE1-CB 3.48Å; F147-D151 HydrophobicContact CZ-CB 4.03Å; F147-D151 PolarHBondContact O-N 3.46Å; R148-D151 PolarHBondContact O-N 3.04Å; D151-Q153 PolarHBondContact O-N 3.4Å; D151-R154 PolarHBondContact O-N 3.25Å; D151-R154 VanDerWaalsContact OD1-CA 3.27Å; D151-R154 WeakPolarHBondContact OD1-CA 3.21Å; D151-R154 PolarHBondContact OD1-N 2.95Å; D151-R154 WeakPolarHBondContact OD2-CA 3.17Å; D151-N155 PolarHBondContact OD1-N 2.97Å; D151-N155 PolarHBondContact OD1-OD1 3.43Å; D151-N155 PolarHBondContact OD2-N 3.38Å; D151-G156 PolarHBondContact OD1-N 3.04Å; D151-G156 WeakPolarHBondContact OD2-CA 3.3Å; D151-G156 PolarHBondContact OD2-N 3.23Å
152Y92.2Very high94.9Very high193 Ų19395.4 Ų95.476%0.75746%0.462SS*.THydrogen-bonded Turntrans-58.2-34.9-177.5-63.5-76.3000113.1P149 Y150 R154P149-Y152 VanDerWaalsContact O-CE1 3.27Å; P149-Y152 WeakPolarHBondContact O-CE1 3.08Å; P149-Y152 VanDerWaalsContact O-CZ 3.27Å; Y150-Y152 VanDerWaalsContact C-N 3.31Å; Y150-Y152 WeakPolarHBondContact O-CD2 3.48Å; Y150-Y152 PolarHBondContact O-N 3.11Å; Y152-R154 VanDerWaalsContact C-N 3.31Å
153Q94.3Very high95.1Very high159 Ų15999.6 Ų99.674%0.74348%0.48SS*.THydrogen-bonded Turntrans-84.3-6.9-178.5-65.3-177-11.100112.9D151 N155D151-Q153 PolarHBondContact O-N 3.4Å; Q153-N155 HydrophobicContact CB-CB 4.47Å; Q153-N155 PolarHBondContact O-N 2.81Å; Q153-N155 PolarHBondContact OE1-ND2 2.88Å
154R92.7Very high95.1Very high229 Ų22998.9 Ų98.986%0.86447%0.474SS*.SBendtrans5337.8-177-57.2-176.2177.9-173.2-0.3112.6D151 Y152D151-R154 PolarHBondContact O-N 3.25Å; D151-R154 VanDerWaalsContact OD1-CA 3.27Å; D151-R154 WeakPolarHBondContact OD1-CA 3.21Å; D151-R154 PolarHBondContact OD1-N 2.95Å; D151-R154 WeakPolarHBondContact OD2-CA 3.17Å; Y152-R154 VanDerWaalsContact C-N 3.31Å
155N95Very high95.1Very high87 Ų87103.1 Ų103.147%0.46549%0.49SS..SBendtrans-110.75.8-178.866.74.8000112.4D151 Q153 M157D151-N155 PolarHBondContact OD1-N 2.97Å; D151-N155 PolarHBondContact OD1-OD1 3.43Å; D151-N155 PolarHBondContact OD2-N 3.38Å; Q153-N155 HydrophobicContact CB-CB 4.47Å; Q153-N155 PolarHBondContact O-N 2.81Å; Q153-N155 PolarHBondContact OE1-ND2 2.88Å; N155-M157 VanDerWaalsContact C-N 3.32Å; N155-M157 WeakPolarHBondContact OD1-CB 3.47Å; N155-M157 PolarHBondContact OD1-N 2.88Å; N155-M157 PolarHBondContact OD1-O 3.45Å
156G94.3Very high95.2Very high46 Ų46103 Ų10347%0.47449%0.489SS..SBendtrans819.9-178.300000113.9D151D151-G156 PolarHBondContact OD1-N 3.04Å; D151-G156 WeakPolarHBondContact OD2-CA 3.3Å; D151-G156 PolarHBondContact OD2-N 3.23Å
157M95.5Very high95.2Very high141 Ų141105.7 Ų105.770%0.69551%0.506SS*.  trans-119127.6179-58.2-64.4-68.500110.2N155N155-M157 VanDerWaalsContact C-N 3.32Å; N155-M157 WeakPolarHBondContact OD1-CB 3.47Å; N155-M157 PolarHBondContact OD1-N 2.88Å; N155-M157 PolarHBondContact OD1-O 3.45Å
158A94.7Very high95.1Very high33 Ų33102.8 Ų102.827%0.27350%0.496SS..  trans-129.1137.9176.800000110.3F147 L160F147-A158 HydrophobicContact CD2-CB 4.28Å; F147-A158 HydrophobicContact CE2-CB 3.56Å; F147-A158 HydrophobicContact CZ-CB 3.85Å; A158-L160 HydrophobicContact CB-CD1 3.64Å
159Q94.8Very high94.9Very high185 Ų18597.4 Ų97.486%0.86448%0.484SS*.  trans-104.4119.8171.4-174.8176.98.200108.7
160L94.9Very high94.8Very high59 Ų59100.1 Ų100.131%0.30949%0.488SS..  trans-119.5139.8-179.8-68.184.6000109.7Y150 A158 Q164 F165 A168Y150-L160 HydrophobicContact CD1-CD2 4.14Å; Y150-L160 HydrophobicContact CD1-CG 3.97Å; Y150-L160 HydrophobicContact CD2-CD2 4.06Å; Y150-L160 HydrophobicContact CE1-CD2 4.22Å; Y150-L160 HydrophobicContact CE1-CG 4.38Å; Y150-L160 HydrophobicContact CE2-CD2 4.15Å; Y150-L160 HydrophobicContact CG-CD1 4.38Å; Y150-L160 HydrophobicContact CG-CD2 4.05Å; Y150-L160 HydrophobicContact CG-CG 4.07Å; A158-L160 HydrophobicContact CB-CD1 3.64Å; L160-Q164 HydrophobicContact CB-CB 4.07Å; L160-Q164 HydrophobicContact CD2-CB 4.27Å; L160-Q164 HydrophobicContact CG-CB 4.39Å; L160-F165 HydrophobicContact CB-CB 4.29Å; L160-F165 HydrophobicContact CD2-CB 4.31Å; L160-A168 HydrophobicContact CD2-CB 4.44Å
161S97.2Very high94.5Very high58 Ų58101 Ų10141%0.40650%0.501SS..  trans-65.3162.5158.880.20000110E163 Q164 F165S161-E163 VanDerWaalsContact C-N 3.28Å; S161-E163 PolarHBondContact O-N 2.87Å; S161-Q164 PolarHBondContact O-N 3.47Å; S161-Q164 WeakPolarHBondContact OG-CG 3.35Å; S161-Q164 PolarHBondContact OG-N 2.82Å; S161-Q164 VanDerWaalsContact OG-N 3.16Å; S161-F165 PolarHBondContact O-N 2.89Å
162Y97.5Very high93.9Very high173 Ų173101.9 Ų101.968%0.67851%0.507SS*.Hα-helixtrans-56.9-42.3177.4-178.5-120000112.2F165 L166Y162-F165 WeakPolarHBondContact O-CB 3.42Å; Y162-F165 PolarHBondContact O-N 3.05Å; Y162-L166 HydrophobicContact CD1-CD1 4.02Å; Y162-L166 HydrophobicContact CD2-CG 4.45Å; Y162-L166 HydrophobicContact CE1-CD1 3.49Å; Y162-L166 VanDerWaalsContact CE1-CD1 3.49Å; Y162-L166 HydrophobicContact CE1-CG 4.22Å; Y162-L166 HydrophobicContact CE2-CD1 4.23Å; Y162-L166 HydrophobicContact CE2-CD2 4.17Å; Y162-L166 HydrophobicContact CE2-CG 4.1Å; Y162-L166 WeakPolarHBondContact O-CG 3.43Å; Y162-L166 PolarHBondContact O-N 3.31Å
163E97.8Very high92.5Very high147 Ų14798.4 Ų98.469%0.68751%0.505SS*.Hα-helixtrans-70.3-35.6178.4-67.2-177157.900113.1S161 F165 L166 T167S161-E163 VanDerWaalsContact C-N 3.28Å; S161-E163 PolarHBondContact O-N 2.87Å; E163-F165 VanDerWaalsContact C-N 3.33Å; E163-L166 PolarHBondContact O-N 3.44Å; E163-T167 VanDerWaalsContact O-CB 3.28Å; E163-T167 WeakPolarHBondContact O-CB 3.4Å; E163-T167 PolarHBondContact O-N 2.99Å; E163-T167 PolarHBondContact O-OG1 3.17Å
164Q96Very high90.4Very high76 Ų7698 Ų9836%0.35552%0.52SS..Hα-helixtrans-63.4-42.9172.4-75172.1-31.100110.8Y150 L160 S161 T167 A168Y150-Q164 HydrophobicContact CE1-CB 3.96Å; Y150-Q164 HydrophobicContact CE1-CG 4.1Å; L160-Q164 HydrophobicContact CB-CB 4.07Å; L160-Q164 HydrophobicContact CD2-CB 4.27Å; L160-Q164 HydrophobicContact CG-CB 4.39Å; S161-Q164 PolarHBondContact O-N 3.47Å; S161-Q164 WeakPolarHBondContact OG-CG 3.35Å; S161-Q164 PolarHBondContact OG-N 2.82Å; S161-Q164 VanDerWaalsContact OG-N 3.16Å; Q164-T167 PolarHBondContact O-N 3.1Å; Q164-A168 VanDerWaalsContact O-CB 3.26Å; Q164-A168 WeakPolarHBondContact O-CB 3.3Å; Q164-A168 PolarHBondContact O-N 3.13Å
165F95.6Very high90.3Very high117 Ų11791.5 Ų91.551%0.51350%0.503SS..Hα-helixtrans-61.6-47.5174.8168.3-103.4000111.8L160 S161 Y162 E163 A168 A169L160-F165 HydrophobicContact CB-CB 4.29Å; L160-F165 HydrophobicContact CD2-CB 4.31Å; S161-F165 PolarHBondContact O-N 2.89Å; Y162-F165 WeakPolarHBondContact O-CB 3.42Å; Y162-F165 PolarHBondContact O-N 3.05Å; E163-F165 VanDerWaalsContact C-N 3.33Å; F165-A168 PolarHBondContact O-N 3.37Å; F165-A169 WeakPolarHBondContact O-CB 3.4Å; F165-A169 PolarHBondContact O-N 3.13Å
166L95.6Very high90Very high52 Ų5291.7 Ų91.727%0.27251%0.505SS..Hα-helixtrans-62.1-44.1177.2-71-177.6000111.8Y162 E163 A168 A169 F170Y162-L166 HydrophobicContact CD1-CD1 4.02Å; Y162-L166 HydrophobicContact CD2-CG 4.45Å; Y162-L166 HydrophobicContact CE1-CD1 3.49Å; Y162-L166 VanDerWaalsContact CE1-CD1 3.49Å; Y162-L166 HydrophobicContact CE1-CG 4.22Å; Y162-L166 HydrophobicContact CE2-CD1 4.23Å; Y162-L166 HydrophobicContact CE2-CD2 4.17Å; Y162-L166 HydrophobicContact CE2-CG 4.1Å; Y162-L166 WeakPolarHBondContact O-CG 3.43Å; Y162-L166 PolarHBondContact O-N 3.31Å; E163-L166 PolarHBondContact O-N 3.44Å; L166-A168 VanDerWaalsContact C-N 3.34Å; L166-A168 PolarHBondContact O-N 3.45Å; L166-A169 PolarHBondContact O-N 3.04Å; L166-F170 HydrophobicContact CB-CD2 4.4Å; L166-F170 HydrophobicContact CB-CE2 4.37Å; L166-F170 WeakPolarHBondContact O-CD2 3.4Å; L166-F170 PolarHBondContact O-N 3.39Å
167T95Very high89.8Confident93 Ų9394.2 Ų94.257%0.57151%0.507SS*.Hα-helixtrans-59.5-45.9177.6-58.80000111.2E163 Q164 F170 S171E163-T167 VanDerWaalsContact O-CB 3.28Å; E163-T167 WeakPolarHBondContact O-CB 3.4Å; E163-T167 PolarHBondContact O-N 2.99Å; E163-T167 PolarHBondContact O-OG1 3.17Å; Q164-T167 PolarHBondContact O-N 3.1Å; T167-F170 PolarHBondContact O-N 3.46Å; T167-S171 PolarHBondContact O-N 3.34Å; T167-S171 VanDerWaalsContact O-N 3.13Å
168A93.2Very high89.4Confident14 Ų1491.5 Ų91.512%0.11650%0.495CS..Hα-helixtrans-62.5-42.2174.800000112.5V146 Y150 L160 Q164 F165 L166 S171V146-A168 HydrophobicContact CG1-CB 3.39Å; V146-A168 WeakPolarHBondContact CG1-O 3.39Å; Y150-A168 HydrophobicContact CE2-CB 4.15Å; L160-A168 HydrophobicContact CD2-CB 4.44Å; Q164-A168 VanDerWaalsContact O-CB 3.26Å; Q164-A168 WeakPolarHBondContact O-CB 3.3Å; Q164-A168 PolarHBondContact O-N 3.13Å; F165-A168 PolarHBondContact O-N 3.37Å; L166-A168 VanDerWaalsContact C-N 3.34Å; L166-A168 PolarHBondContact O-N 3.45Å; A168-S171 PolarHBondContact O-OG 3.14Å
169A92.2Very high89.1Confident39 Ų3995.1 Ų95.132%0.32251%0.509SS..Hα-helixtrans-65.6-44.2178.700000111.6F165 L166 S171 V172 V173F165-A169 WeakPolarHBondContact O-CB 3.4Å; F165-A169 PolarHBondContact O-N 3.13Å; L166-A169 PolarHBondContact O-N 3.04Å; A169-S171 VanDerWaalsContact C-N 3.35Å; A169-S171 PolarHBondContact O-N 3.2Å; A169-V172 PolarHBondContact O-N 3.13Å; A169-V173 WeakPolarHBondContact O-CG2 3.32Å; A169-V173 PolarHBondContact O-N 3.31Å
170F92.1Very high88.7Confident136 Ų13689.1 Ų89.160%0.59649%0.486SS*.Hα-helixtrans-67.5-31.9-179.6-77.6-61.5000113.1L166 T167 V172 V173 S174L166-F170 HydrophobicContact CB-CD2 4.4Å; L166-F170 HydrophobicContact CB-CE2 4.37Å; L166-F170 WeakPolarHBondContact O-CD2 3.4Å; L166-F170 PolarHBondContact O-N 3.39Å; T167-F170 PolarHBondContact O-N 3.46Å; F170-V172 PolarHBondContact O-N 3.02Å; F170-V173 PolarHBondContact O-N 3.02Å; F170-V173 VanDerWaalsContact O-N 3.17Å; F170-S174 WeakPolarHBondContact O-CB 3.49Å; F170-S174 PolarHBondContact O-N 3.24Å; F170-S174 VanDerWaalsContact O-N 3.09Å; F170-S174 PolarHBondContact O-OG 3.24Å
171S88.1Confident88.3Confident64 Ų6491.3 Ų91.345%0.44850%0.498SS..Hα-helixtrans-69.5-11.9178.368.20000114.7V146 T167 A168 A169V146-S171 WeakPolarHBondContact CG2-OG 3.38Å; T167-S171 PolarHBondContact O-N 3.34Å; T167-S171 VanDerWaalsContact O-N 3.13Å; A168-S171 PolarHBondContact O-OG 3.14Å; A169-S171 VanDerWaalsContact C-N 3.35Å; A169-S171 PolarHBondContact O-N 3.2Å
172V82.4Confident87.6Confident38 Ų3893.8 Ų93.823%0.2351%0.505CS..Hα-helixtrans-97.9-22174.2-1770000111.8N142 L143 V146 A169 F170N142-V172 HydrophobicContact CB-CG1 4.28Å; L143-V172 HydrophobicContact CD2-CB 4.47Å; L143-V172 HydrophobicContact CD2-CG1 4.03Å; L143-V172 HydrophobicContact CD2-CG2 4.13Å; L143-V172 HydrophobicContact CG-CG1 4.18Å; V146-V172 HydrophobicContact CB-CG2 4.16Å; V146-V172 HydrophobicContact CG1-CG2 4.49Å; V146-V172 HydrophobicContact CG2-CG2 3.68Å; A169-V172 PolarHBondContact O-N 3.13Å; F170-V172 PolarHBondContact O-N 3.02Å
173V63.2Low86.8Confident121 Ų12187.3 Ų87.373%0.73349%0.491SS*.Hα-helixtrans-92.7-22-176178.10000111.9A169 F170A169-V173 WeakPolarHBondContact O-CG2 3.32Å; A169-V173 PolarHBondContact O-N 3.31Å; F170-V173 PolarHBondContact O-N 3.02Å; F170-V173 VanDerWaalsContact O-N 3.17Å
174S50.2Low85.8Confident150 Ų15081.8 Ų81.8100%1.04947%0.473SS*.  trans-83.50179.763.20000113.7F170F170-S174 WeakPolarHBondContact O-CB 3.49Å; F170-S174 PolarHBondContact O-N 3.24Å; F170-S174 VanDerWaalsContact O-N 3.09Å; F170-S174 PolarHBondContact O-OG 3.24Å

Retrieved 174 of 174 residues in 132 ms (Link to these results)

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