A0A077Z2J2_TRITR Loading...

CRAL TRIO domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z2J2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 383 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.7Very low78.6Confident236 Ų236102.4 Ų102.4100%1.16354%0.538SS*.  01290-80.5165.455.500105.4E3M1-E3 PolarHBondContact O-N 2.78Å
2A48.1Very low80Confident83 Ų8394.3 Ų94.369%0.68650%0.496SS*.  trans-57.2136.8168.400000107.7D6A2-D6 HydrophobicContact CB-CB 4.25Å
3E61.1Low81.3Confident153 Ų15388.2 Ų88.272%0.71546%0.463SS*.  trans-64.1145.1174.9-70.7-176.6173.300108.3M1 G5 D6M1-E3 PolarHBondContact O-N 2.78Å; E3-G5 PolarHBondContact O-N 3.41Å; E3-D6 PolarHBondContact N-OD2 2.92Å; E3-D6 PolarHBondContact O-N 3.45Å
4E72.6Confident82.3Confident191 Ų19187.4 Ų87.489%0.89348%0.475SS*.THydrogen-bonded Turntrans-56.8113.4-178.6-170.7175.517900109.5
5G83.8Confident83Confident17 Ų1784.5 Ų84.518%0.17546%0.458CS..THydrogen-bonded Turntrans105.6-6.5-178.100000116.3E3 E7 E8 I9E3-G5 PolarHBondContact O-N 3.41Å; G5-E7 VanDerWaalsContact C-N 3.27Å; G5-E7 PolarHBondContact O-N 3.45Å; G5-E8 WeakPolarHBondContact O-CB 3.28Å; G5-E8 PolarHBondContact O-N 3.08Å; G5-E8 VanDerWaalsContact O-N 3.1Å; G5-I9 WeakPolarHBondContact O-CG1 3.36Å; G5-I9 PolarHBondContact O-N 2.81Å
6D88.9Confident83.7Confident42 Ų4279.2 Ų79.223%0.22543%0.43CS..Hα-helixtrans-56.4-40.4177-89.9-27.4000112.7A2 E3 I9 N10A2-D6 HydrophobicContact CB-CB 4.25Å; E3-D6 PolarHBondContact N-OD2 2.92Å; E3-D6 PolarHBondContact O-N 3.45Å; D6-I9 PolarHBondContact O-N 3.36Å; D6-N10 WeakPolarHBondContact O-CB 3.47Å; D6-N10 PolarHBondContact O-N 3.23Å; D6-N10 PolarHBondContact O-ND2 3.27Å
7E93.6Very high84.4Confident158 Ų15878.2 Ų78.274%0.73844%0.442SS*.Hα-helixtrans-63.7-43.2177.1-173.1174.2-172.900111.6G5 I9 N10 V11G5-E7 VanDerWaalsContact C-N 3.27Å; G5-E7 PolarHBondContact O-N 3.45Å; E7-I9 VanDerWaalsContact C-N 3.35Å; E7-I9 PolarHBondContact O-N 3.26Å; E7-N10 PolarHBondContact O-N 3.12Å; E7-V11 WeakPolarHBondContact O-CG2 3.42Å; E7-V11 PolarHBondContact O-N 3.17Å
8E94.2Very high85Confident68 Ų6877.4 Ų77.432%0.31843%0.433SS..Hα-helixtrans-63-42177.9-170.9175.7168.900111.1G5 F12 V27 V30 R31G5-E8 WeakPolarHBondContact O-CB 3.28Å; G5-E8 PolarHBondContact O-N 3.08Å; G5-E8 VanDerWaalsContact O-N 3.1Å; E8-F12 WeakPolarHBondContact O-CB 3.41Å; E8-F12 PolarHBondContact O-N 3.34Å; E8-V27 HydrophobicContact CB-CG2 4.27Å; E8-V27 HydrophobicContact CG-CG2 4.35Å; E8-V27 WeakPolarHBondContact OE2-CG2 3.49Å; E8-V30 HydrophobicContact CG-CG1 4.16Å; E8-R31 WeakPolarHBondContact OE1-CG 3.47Å; E8-R31 IonicContact OE1-CZ 2.7Å; E8-R31 IonicContact OE1-NE 3.59Å; E8-R31 PolarHBondContact OE1-NE 3.26Å; E8-R31 IonicContact OE2-CZ 3.8Å; E8-R31 IonicContact OE2-NE 2.79Å; E8-R31 PolarHBondContact OE2-NE 3.04Å; E8-R31 VanDerWaalsContact OE2-NE 3.08Å; E8-R31 IonicContact OE2-NH2 3.96Å; E8-R31 PolarHBondContact OE2-NH2 2.94Å
9I96Very high85.6Confident9 Ų982.2 Ų82.25%0.04645%0.449CS..Hα-helixtrans-63.9-46.5175.2-63.9162.7000110.8G5 D6 E7 V11 F12 E13 R25 V27 V30G5-I9 WeakPolarHBondContact O-CG1 3.36Å; G5-I9 PolarHBondContact O-N 2.81Å; D6-I9 PolarHBondContact O-N 3.36Å; E7-I9 VanDerWaalsContact C-N 3.35Å; E7-I9 PolarHBondContact O-N 3.26Å; I9-V11 VanDerWaalsContact C-N 3.34Å; I9-V11 PolarHBondContact O-N 3.47Å; I9-F12 WeakPolarHBondContact O-CB 3.34Å; I9-F12 PolarHBondContact O-N 3.18Å; I9-F12 VanDerWaalsContact O-N 3.15Å; I9-E13 HydrophobicContact CG2-CG 4.26Å; I9-E13 WeakPolarHBondContact O-CG 3.33Å; I9-E13 PolarHBondContact O-N 3.01Å; I9-R25 HydrophobicContact CG2-CG 3.79Å; I9-V27 HydrophobicContact CD1-CB 4.47Å; I9-V30 HydrophobicContact CB-CG2 4.48Å; I9-V30 HydrophobicContact CG1-CG2 4Å
10N95.9Very high86.1Confident84 Ų8478.6 Ų78.645%0.44943%0.429SS..Hα-helixtrans-63.9-38.9-178.5-69.2-30.2000112.1D6 E7 E13 A14 R25D6-N10 WeakPolarHBondContact O-CB 3.47Å; D6-N10 PolarHBondContact O-N 3.23Å; D6-N10 PolarHBondContact O-ND2 3.27Å; E7-N10 PolarHBondContact O-N 3.12Å; N10-E13 PolarHBondContact O-N 2.89Å; N10-A14 PolarHBondContact O-N 3.19Å; N10-R25 PolarHBondContact OD1-NH2 3.14Å
11V94.1Very high86.5Confident85 Ų8576.2 Ų76.252%0.51542%0.418SS..Hα-helixtrans-63.3-43.6173.1171.30000110.5E7 I9 A14 I15E7-V11 WeakPolarHBondContact O-CG2 3.42Å; E7-V11 PolarHBondContact O-N 3.17Å; I9-V11 VanDerWaalsContact C-N 3.34Å; I9-V11 PolarHBondContact O-N 3.47Å; V11-A14 WeakPolarHBondContact O-CB 3.35Å; V11-A14 PolarHBondContact O-N 3.44Å; V11-I15 HydrophobicContact CG1-CD1 4.46Å; V11-I15 PolarHBondContact O-N 3.25Å; V11-I15 VanDerWaalsContact O-N 3.15Å
12F95Very high89.1Confident6 Ų672.1 Ų72.13%0.02640%0.396CS..Hα-helixtrans-62.9-44.9177-169.2-97.6000112.3E8 I9 A14 I15 L16 L20 V30 W33 T34 I44 V48E8-F12 WeakPolarHBondContact O-CB 3.41Å; E8-F12 PolarHBondContact O-N 3.34Å; I9-F12 WeakPolarHBondContact O-CB 3.34Å; I9-F12 PolarHBondContact O-N 3.18Å; I9-F12 VanDerWaalsContact O-N 3.15Å; F12-A14 VanDerWaalsContact C-N 3.28Å; F12-A14 PolarHBondContact O-N 3.46Å; F12-I15 WeakPolarHBondContact O-CB 3.32Å; F12-I15 PolarHBondContact O-N 2.87Å; F12-I15 VanDerWaalsContact O-N 3.13Å; F12-L16 HydrophobicContact CD1-CD1 3.8Å; F12-L16 HydrophobicContact CD1-CG 4.11Å; F12-L16 HydrophobicContact CE1-CD1 3.62Å; F12-L16 HydrophobicContact CE1-CD2 4.17Å; F12-L16 HydrophobicContact CE1-CG 4.02Å; F12-L16 HydrophobicContact CZ-CD2 4.43Å; F12-L16 WeakPolarHBondContact O-CG 3.45Å; F12-L16 PolarHBondContact O-N 3.11Å; F12-L20 HydrophobicContact CD1-CD1 4.14Å; F12-L20 HydrophobicContact CE1-CD1 4.31Å; F12-V30 HydrophobicContact CB-CG1 3.61Å; F12-V30 HydrophobicContact CB-CG2 4.13Å; F12-V30 HydrophobicContact CD1-CB 4.47Å; F12-V30 HydrophobicContact CD1-CG1 4.24Å; F12-V30 HydrophobicContact CD1-CG2 3.81Å; F12-V30 HydrophobicContact CD2-CG1 3.66Å; F12-V30 HydrophobicContact CE1-CG2 4.35Å; F12-V30 HydrophobicContact CE2-CG1 4.33Å; F12-V30 HydrophobicContact CG-CB 4.29Å; F12-V30 HydrophobicContact CG-CG1 3.59Å; F12-V30 HydrophobicContact CG-CG2 3.98Å; F12-W33 AromaticContact CE1-CE3 3.72Å; F12-W33 HydrophobicContact CE1-CE3 3.72Å; F12-W33 HydrophobicContact CE1-CZ3 4.32Å; F12-W33 HydrophobicContact CE2-CB 4.4Å; F12-W33 HydrophobicContact CZ-CB 3.78Å; F12-W33 AromaticContact CZ-CE3 3.93Å; F12-W33 HydrophobicContact CZ-CE3 3.93Å; F12-T34 WeakPolarHBondContact CE2-OG1 3.46Å; F12-I44 HydrophobicContact CD2-CG2 4.4Å; F12-I44 HydrophobicContact CE2-CG2 3.44Å; F12-I44 VanDerWaalsContact CE2-CG2 3.44Å; F12-I44 HydrophobicContact CZ-CG2 3.58Å; F12-V48 HydrophobicContact CE1-CG2 4.21Å; F12-V48 HydrophobicContact CZ-CG2 3.93Å
13E96.3Very high91.2Very high15 Ų1571 Ų717%0.0738%0.383CS..Hα-helixtrans-63.3-32.6176.3-70.9-177.1139.600112.4I9 N10 L16 G17 K19 L20 R25I9-E13 HydrophobicContact CG2-CG 4.26Å; I9-E13 WeakPolarHBondContact O-CG 3.33Å; I9-E13 PolarHBondContact O-N 3.01Å; N10-E13 PolarHBondContact O-N 2.89Å; E13-L16 PolarHBondContact O-N 3.16Å; E13-G17 PolarHBondContact O-N 3.4Å; E13-K19 WeakPolarHBondContact OE1-CA 3.46Å; E13-L20 HydrophobicContact CG-CD1 4.49Å; E13-L20 HydrophobicContact CG-CG 4.25Å; E13-L20 PolarHBondContact OE1-N 3.46Å; E13-R25 IonicContact OE1-NE 3.46Å; E13-R25 PolarHBondContact OE1-NE 2.86Å; E13-R25 IonicContact OE2-CZ 3.47Å; E13-R25 IonicContact OE2-NE 3.87Å; E13-R25 PolarHBondContact OE2-NE 2.94Å; E13-R25 IonicContact OE2-NH2 2.75Å; E13-R25 PolarHBondContact OE2-NH2 2.75Å
14A95.3Very high92.8Very high77 Ų7763.9 Ų63.964%0.63635%0.35SS*.Hα-helixtrans-64.5-40.6172.900000112.1N10 V11 F12 G17N10-A14 PolarHBondContact O-N 3.19Å; V11-A14 WeakPolarHBondContact O-CB 3.35Å; V11-A14 PolarHBondContact O-N 3.44Å; F12-A14 VanDerWaalsContact C-N 3.28Å; F12-A14 PolarHBondContact O-N 3.46Å; A14-G17 PolarHBondContact O-N 2.9Å
15I92.9Very high93.9Very high43 Ų4357.2 Ų57.222%0.22132%0.316CS..Hα-helixtrans-61.8-44.7173.6-68.3166.8000110.8V11 F12 G17 E41V11-I15 HydrophobicContact CG1-CD1 4.46Å; V11-I15 PolarHBondContact O-N 3.25Å; V11-I15 VanDerWaalsContact O-N 3.15Å; F12-I15 WeakPolarHBondContact O-CB 3.32Å; F12-I15 PolarHBondContact O-N 2.87Å; F12-I15 VanDerWaalsContact O-N 3.13Å; I15-G17 VanDerWaalsContact C-N 3.32Å; I15-G17 PolarHBondContact O-N 3.47Å; I15-E41 HydrophobicContact CB-CG 4.49Å; I15-E41 HydrophobicContact CD1-CG 4.13Å; I15-E41 HydrophobicContact CG1-CG 4.01Å; I15-E41 HydrophobicContact CG2-CB 3.7Å; I15-E41 HydrophobicContact CG2-CG 3.74Å
16L94.9Very high94.4Very high0 Ų058.5 Ų58.50%032%0.321CS..Hα-helixtrans-65.2-36.8178.8-63.3-176.4000112.2F12 E13 F18 L20 I44 K45 V48F12-L16 HydrophobicContact CD1-CD1 3.8Å; F12-L16 HydrophobicContact CD1-CG 4.11Å; F12-L16 HydrophobicContact CE1-CD1 3.62Å; F12-L16 HydrophobicContact CE1-CD2 4.17Å; F12-L16 HydrophobicContact CE1-CG 4.02Å; F12-L16 HydrophobicContact CZ-CD2 4.43Å; F12-L16 WeakPolarHBondContact O-CG 3.45Å; F12-L16 PolarHBondContact O-N 3.11Å; E13-L16 PolarHBondContact O-N 3.16Å; L16-F18 VanDerWaalsContact C-N 3.29Å; L16-F18 HydrophobicContact CB-CD1 3.97Å; L16-F18 HydrophobicContact CB-CD2 4.42Å; L16-F18 HydrophobicContact CB-CE1 3.77Å; L16-F18 HydrophobicContact CB-CE2 4.24Å; L16-F18 HydrophobicContact CB-CG 4.29Å; L16-F18 HydrophobicContact CB-CZ 3.91Å; L16-F18 HydrophobicContact CD1-CD2 4.43Å; L16-F18 HydrophobicContact CD1-CE2 3.81Å; L16-F18 HydrophobicContact CD1-CZ 3.93Å; L16-F18 HydrophobicContact CD2-CZ 4.28Å; L16-F18 HydrophobicContact CG-CZ 4.27Å; L16-F18 WeakPolarHBondContact O-CD1 3.27Å; L16-L20 HydrophobicContact CD1-CD2 3.55Å; L16-L20 HydrophobicContact CD1-CG 4.07Å; L16-I44 HydrophobicContact CD2-CG2 4.23Å; L16-K45 HydrophobicContact CD2-CB 4.31Å; L16-K45 WeakPolarHBondContact O-CD 3.31Å; L16-K45 WeakPolarHBondContact O-CE 3.39Å; L16-K45 PolarHBondContact O-NZ 2.77Å; L16-K45 VanDerWaalsContact O-NZ 3.13Å; L16-V48 HydrophobicContact CD1-CG1 3.94Å; L16-V48 HydrophobicContact CD2-CB 3.87Å; L16-V48 HydrophobicContact CD2-CG1 4.18Å; L16-V48 HydrophobicContact CD2-CG2 4.05Å
17G95.3Very high94.7Very high62 Ų6257.4 Ų57.464%0.63932%0.316SS*.THydrogen-bonded Turntrans77.115.2-171.200000113.4E13 A14 I15E13-G17 PolarHBondContact O-N 3.4Å; A14-G17 PolarHBondContact O-N 2.9Å; I15-G17 VanDerWaalsContact C-N 3.32Å; I15-G17 PolarHBondContact O-N 3.47Å
18F95.6Very high94.8Very high64 Ų6451.2 Ų51.228%0.28129%0.286SS..SBendtrans-152.8159174.359.4-94.8000110.1L16 L20 V48 S49 L52L16-F18 VanDerWaalsContact C-N 3.29Å; L16-F18 HydrophobicContact CB-CD1 3.97Å; L16-F18 HydrophobicContact CB-CD2 4.42Å; L16-F18 HydrophobicContact CB-CE1 3.77Å; L16-F18 HydrophobicContact CB-CE2 4.24Å; L16-F18 HydrophobicContact CB-CG 4.29Å; L16-F18 HydrophobicContact CB-CZ 3.91Å; L16-F18 HydrophobicContact CD1-CD2 4.43Å; L16-F18 HydrophobicContact CD1-CE2 3.81Å; L16-F18 HydrophobicContact CD1-CZ 3.93Å; L16-F18 HydrophobicContact CD2-CZ 4.28Å; L16-F18 HydrophobicContact CG-CZ 4.27Å; L16-F18 WeakPolarHBondContact O-CD1 3.27Å; F18-L20 HydrophobicContact CE2-CD2 4.44Å; F18-V48 HydrophobicContact CE2-CG1 4.32Å; F18-V48 HydrophobicContact CZ-CG1 4.1Å; F18-S49 VanDerWaalsContact CE1-OG 3.31Å; F18-S49 WeakPolarHBondContact CE1-OG 3.38Å; F18-L52 HydrophobicContact CE2-CD1 3.59Å; F18-L52 HydrophobicContact CZ-CD1 4.16Å
19K95.7Very high94.9Very high168 Ų16848 Ų4873%0.7327%0.272SS*.PPolyproline II helixtrans-81.9143.2175.7-68.4-165.5177-1670111.6E13E13-K19 WeakPolarHBondContact OE1-CA 3.46Å
20L95.4Very high94.8Very high10 Ų1047.7 Ų47.75%0.05227%0.27CS..PPolyproline II helixtrans-71.8149.9174.4-67172.3000110.6F12 E13 L16 F18 E22 R25 V30 W33 V48F12-L20 HydrophobicContact CD1-CD1 4.14Å; F12-L20 HydrophobicContact CE1-CD1 4.31Å; E13-L20 HydrophobicContact CG-CD1 4.49Å; E13-L20 HydrophobicContact CG-CG 4.25Å; E13-L20 PolarHBondContact OE1-N 3.46Å; L16-L20 HydrophobicContact CD1-CD2 3.55Å; L16-L20 HydrophobicContact CD1-CG 4.07Å; F18-L20 HydrophobicContact CE2-CD2 4.44Å; L20-E22 PolarHBondContact O-N 2.98Å; L20-R25 HydrophobicContact CB-CB 4.21Å; L20-R25 HydrophobicContact CB-CG 4.33Å; L20-V30 HydrophobicContact CD1-CG2 4.12Å; L20-W33 HydrophobicContact CD1-CZ3 3.76Å; L20-W33 HydrophobicContact CD2-CE3 4.48Å; L20-W33 HydrophobicContact CD2-CH2 4.12Å; L20-W33 HydrophobicContact CD2-CZ3 3.53Å; L20-W33 HydrophobicContact CG-CZ3 4.27Å; L20-V48 HydrophobicContact CD2-CG1 3.96Å
21P94.4Very high94.7Very high30 Ų3048 Ų4820%0.19527%0.265CS..PPolyproline II helixtrans-56.4139.3165.9-22.233.3000110.2S23 L24 R25 L52P21-S23 PolarHBondContact O-N 3.18Å; P21-S23 VanDerWaalsContact O-N 3.14Å; P21-L24 HydrophobicContact CG-CD1 4.4Å; P21-L24 PolarHBondContact O-N 2.96Å; P21-R25 PolarHBondContact O-N 3.03Å; P21-R25 VanDerWaalsContact O-N 3.1Å; P21-L52 HydrophobicContact CG-CD2 3.93Å
22E92.7Very high94.7Very high150 Ų15044.2 Ų44.270%0.70124%0.242SC*.G310 helixtrans-54-40.2-175.7-169.261.8-161.500112.2L20 L24 R25L20-E22 PolarHBondContact O-N 2.98Å; E22-L24 PolarHBondContact O-N 3.07Å; E22-R25 PolarHBondContact O-N 3.32Å; E22-R25 VanDerWaalsContact O-N 3.11Å
23S91.4Very high94.6Very high60 Ų6044.4 Ų44.442%0.4224%0.242SC..G310 helixtrans-63.9-11.8177.956.50000114.8P21 M137P21-S23 PolarHBondContact O-N 3.18Å; P21-S23 VanDerWaalsContact O-N 3.14Å; S23-M137 WeakPolarHBondContact O-CE 3.34Å
24L94.6Very high94.3Very high2 Ų246.1 Ų46.11%0.0125%0.253CS..G310 helixtrans-117.5-5.5177.3-62.6177.3000112.7P21 E22 T26 N29 W33 Y51 L52 L133 M137P21-L24 HydrophobicContact CG-CD1 4.4Å; P21-L24 PolarHBondContact O-N 2.96Å; E22-L24 PolarHBondContact O-N 3.07Å; L24-T26 VanDerWaalsContact C-N 3.26Å; L24-T26 PolarHBondContact O-N 3.26Å; L24-N29 WeakPolarHBondContact O-CB 3.39Å; L24-N29 PolarHBondContact O-ND2 3.15Å; L24-N29 VanDerWaalsContact O-ND2 3.16Å; L24-W33 HydrophobicContact CB-CH2 3.93Å; L24-W33 HydrophobicContact CD1-CH2 4.08Å; L24-W33 HydrophobicContact CD1-CZ2 4.36Å; L24-Y51 HydrophobicContact CD1-CE1 4.07Å; L24-L52 HydrophobicContact CD1-CD2 3.62Å; L24-L133 HydrophobicContact CD2-CD2 3.85Å; L24-M137 HydrophobicContact CD2-SD 4.12Å
25R94.9Very high94.1Very high52 Ų5247.1 Ų47.120%0.19624%0.241CC..  trans-81.865.2-171.3-166.1177.9-173.5-82.7-6.3111.5I9 N10 E13 L20 P21 E22I9-R25 HydrophobicContact CG2-CG 3.79Å; N10-R25 PolarHBondContact OD1-NH2 3.14Å; E13-R25 IonicContact OE1-NE 3.46Å; E13-R25 PolarHBondContact OE1-NE 2.86Å; E13-R25 IonicContact OE2-CZ 3.47Å; E13-R25 IonicContact OE2-NE 3.87Å; E13-R25 PolarHBondContact OE2-NE 2.94Å; E13-R25 IonicContact OE2-NH2 2.75Å; E13-R25 PolarHBondContact OE2-NH2 2.75Å; L20-R25 HydrophobicContact CB-CB 4.21Å; L20-R25 HydrophobicContact CB-CG 4.33Å; P21-R25 PolarHBondContact O-N 3.03Å; P21-R25 VanDerWaalsContact O-N 3.1Å; E22-R25 PolarHBondContact O-N 3.32Å; E22-R25 VanDerWaalsContact O-N 3.11Å
26T95.7Very high93.6Very high43 Ų4346.4 Ų46.426%0.26424%0.237SC..  trans-123.3150176.873.30000111.5L24 H28 N29 V30 M137L24-T26 VanDerWaalsContact C-N 3.26Å; L24-T26 PolarHBondContact O-N 3.26Å; T26-H28 PolarHBondContact O-N 3.11Å; T26-N29 PolarHBondContact O-N 3.5Å; T26-N29 PolarHBondContact OG1-N 2.91Å; T26-V30 PolarHBondContact O-N 2.76Å; T26-V30 VanDerWaalsContact O-N 3.08Å; T26-M137 HydrophobicContact CG2-CE 3.72Å
27V95.6Very high92.6Very high20 Ų2046.6 Ų46.612%0.12124%0.239CC..Hα-helixtrans-59.3-34.9178.269.40000111.8E8 I9 V30 R31E8-V27 HydrophobicContact CB-CG2 4.27Å; E8-V27 HydrophobicContact CG-CG2 4.35Å; E8-V27 WeakPolarHBondContact OE2-CG2 3.49Å; I9-V27 HydrophobicContact CD1-CB 4.47Å; V27-V30 PolarHBondContact O-N 3.26Å; V27-R31 VanDerWaalsContact O-CG 3.29Å; V27-R31 WeakPolarHBondContact O-CG 3.37Å; V27-R31 PolarHBondContact O-N 3.17Å
28H95.9Very high91.4Very high27 Ų2750.3 Ų50.313%0.12524%0.244CC..Hα-helixtrans-67.3-40.2177.8-63.1-55.5000112.7T26 R31 R32 E140 E146T26-H28 PolarHBondContact O-N 3.11Å; H28-R31 PolarHBondContact O-N 3.37Å; H28-R32 WeakPolarHBondContact O-CG 3.4Å; H28-R32 PolarHBondContact O-N 3.11Å; H28-E140 VanDerWaalsContact CB-CD 3.5Å; H28-E140 VanDerWaalsContact CB-OE1 3.26Å; H28-E140 WeakPolarHBondContact CB-OE1 3.33Å; H28-E140 WeakPolarHBondContact CB-OE2 3.39Å; H28-E140 IonicContact CD2-OE1 4Å; H28-E140 IonicContact CD2-OE2 3.02Å; H28-E140 IonicContact CG-OE1 2.75Å; H28-E140 IonicContact CG-OE2 3.33Å; H28-E140 IonicContact ND1-OE1 3.08Å; H28-E146 PolarHBondContact CE1-N 3.38Å
29N94.6Very high90.2Very high1 Ų152.3 Ų52.31%0.00527%0.267CS..Hα-helixtrans-67-41.5174.9-81.9-6.9000112.5L24 T26 R31 R32 W33 M137L24-N29 WeakPolarHBondContact O-CB 3.39Å; L24-N29 PolarHBondContact O-ND2 3.15Å; L24-N29 VanDerWaalsContact O-ND2 3.16Å; T26-N29 PolarHBondContact O-N 3.5Å; T26-N29 PolarHBondContact OG1-N 2.91Å; N29-R31 VanDerWaalsContact C-N 3.29Å; N29-R31 PolarHBondContact O-N 3.01Å; N29-R32 WeakPolarHBondContact O-CB 3.34Å; N29-R32 PolarHBondContact O-N 3.43Å; N29-R32 VanDerWaalsContact O-N 3.16Å; N29-R32 PolarHBondContact OD1-NH1 3.04Å; N29-W33 PolarHBondContact O-N 2.66Å; N29-M137 VanDerWaalsContact ND2-CE 3.33Å; N29-M137 WeakPolarHBondContact ND2-CE 3.38Å; N29-M137 PolarHBondContact ND2-SD 3.3Å
30V94.1Very high89.8Confident2 Ų247.7 Ų47.71%0.01225%0.25CC..Hα-helixtrans-55.4-46.4173.4164.50000110.8E8 I9 F12 L20 T26 V27 W33 T34E8-V30 HydrophobicContact CG-CG1 4.16Å; I9-V30 HydrophobicContact CB-CG2 4.48Å; I9-V30 HydrophobicContact CG1-CG2 4Å; F12-V30 HydrophobicContact CB-CG1 3.61Å; F12-V30 HydrophobicContact CB-CG2 4.13Å; F12-V30 HydrophobicContact CD1-CB 4.47Å; F12-V30 HydrophobicContact CD1-CG1 4.24Å; F12-V30 HydrophobicContact CD1-CG2 3.81Å; F12-V30 HydrophobicContact CD2-CG1 3.66Å; F12-V30 HydrophobicContact CE1-CG2 4.35Å; F12-V30 HydrophobicContact CE2-CG1 4.33Å; F12-V30 HydrophobicContact CG-CB 4.29Å; F12-V30 HydrophobicContact CG-CG1 3.59Å; F12-V30 HydrophobicContact CG-CG2 3.98Å; L20-V30 HydrophobicContact CD1-CG2 4.12Å; T26-V30 PolarHBondContact O-N 2.76Å; T26-V30 VanDerWaalsContact O-N 3.08Å; V27-V30 PolarHBondContact O-N 3.26Å; V30-W33 PolarHBondContact O-N 2.94Å; V30-T34 WeakPolarHBondContact O-CB 3.44Å; V30-T34 PolarHBondContact O-N 3.34Å; V30-T34 PolarHBondContact O-OG1 3.37Å
31R93.9Very high89.5Confident91 Ų9153.2 Ų53.234%0.34328%0.275SS..Hα-helixtrans-62-43.4175.7-71.5172.6-177.7170.46.6112.7E8 V27 H28 N29 T34 R35E8-R31 WeakPolarHBondContact OE1-CG 3.47Å; E8-R31 IonicContact OE1-CZ 2.7Å; E8-R31 IonicContact OE1-NE 3.59Å; E8-R31 PolarHBondContact OE1-NE 3.26Å; E8-R31 IonicContact OE2-CZ 3.8Å; E8-R31 IonicContact OE2-NE 2.79Å; E8-R31 PolarHBondContact OE2-NE 3.04Å; E8-R31 VanDerWaalsContact OE2-NE 3.08Å; E8-R31 IonicContact OE2-NH2 3.96Å; E8-R31 PolarHBondContact OE2-NH2 2.94Å; V27-R31 VanDerWaalsContact O-CG 3.29Å; V27-R31 WeakPolarHBondContact O-CG 3.37Å; V27-R31 PolarHBondContact O-N 3.17Å; H28-R31 PolarHBondContact O-N 3.37Å; N29-R31 VanDerWaalsContact C-N 3.29Å; N29-R31 PolarHBondContact O-N 3.01Å; R31-T34 PolarHBondContact O-N 3.08Å; R31-R35 WeakPolarHBondContact O-CG 3.47Å; R31-R35 PolarHBondContact O-N 2.83Å
32R93.8Very high89.4Confident6 Ų659.5 Ų59.52%0.02330%0.302CS..Hα-helixtrans-58-49.7175.8-72173.9-178106.112.8112H28 N29 T34 R35 L36 E140 S147 E187H28-R32 WeakPolarHBondContact O-CG 3.4Å; H28-R32 PolarHBondContact O-N 3.11Å; N29-R32 WeakPolarHBondContact O-CB 3.34Å; N29-R32 PolarHBondContact O-N 3.43Å; N29-R32 VanDerWaalsContact O-N 3.16Å; N29-R32 PolarHBondContact OD1-NH1 3.04Å; R32-T34 VanDerWaalsContact C-N 3.34Å; R32-T34 PolarHBondContact O-N 2.71Å; R32-R35 PolarHBondContact O-N 2.55Å; R32-L36 PolarHBondContact O-N 2.98Å; R32-L36 VanDerWaalsContact O-N 3.11Å; R32-E140 IonicContact CZ-OE1 3.94Å; R32-E140 IonicContact CZ-OE2 3.95Å; R32-E140 IonicContact NH1-OE1 3.28Å; R32-E140 PolarHBondContact NH1-OE1 2.79Å; R32-E140 IonicContact NH1-OE2 3.65Å; R32-E140 PolarHBondContact NH1-OE2 3.39Å; R32-E140 IonicContact NH2-OE1 3.34Å; R32-E140 PolarHBondContact NH2-OE1 2.83Å; R32-E140 IonicContact NH2-OE2 3.92Å; R32-E140 PolarHBondContact NH2-OE2 3.04Å; R32-S147 PolarHBondContact NH2-O 3.08Å; R32-S147 VanDerWaalsContact NH2-O 3.14Å; R32-E187 HydrophobicContact CB-CB 3.97Å; R32-E187 HydrophobicContact CB-CG 4.43Å; R32-E187 HydrophobicContact CG-CB 3.93Å
33W92.8Very high89.3Confident9 Ų954.8 Ų54.83%0.03429%0.286CS..Hα-helixtrans-69.4-33.8-178.3-65.8-27.1000112.7F12 L20 L24 N29 V30 R35 L36 G37 F47 V48 Y51F12-W33 AromaticContact CE1-CE3 3.72Å; F12-W33 HydrophobicContact CE1-CE3 3.72Å; F12-W33 HydrophobicContact CE1-CZ3 4.32Å; F12-W33 HydrophobicContact CE2-CB 4.4Å; F12-W33 HydrophobicContact CZ-CB 3.78Å; F12-W33 AromaticContact CZ-CE3 3.93Å; F12-W33 HydrophobicContact CZ-CE3 3.93Å; L20-W33 HydrophobicContact CD1-CZ3 3.76Å; L20-W33 HydrophobicContact CD2-CE3 4.48Å; L20-W33 HydrophobicContact CD2-CH2 4.12Å; L20-W33 HydrophobicContact CD2-CZ3 3.53Å; L20-W33 HydrophobicContact CG-CZ3 4.27Å; L24-W33 HydrophobicContact CB-CH2 3.93Å; L24-W33 HydrophobicContact CD1-CH2 4.08Å; L24-W33 HydrophobicContact CD1-CZ2 4.36Å; N29-W33 PolarHBondContact O-N 2.66Å; V30-W33 PolarHBondContact O-N 2.94Å; W33-R35 VanDerWaalsContact C-N 3.33Å; W33-R35 PolarHBondContact O-N 3Å; W33-L36 PolarHBondContact O-N 2.9Å; W33-L36 VanDerWaalsContact O-N 3.12Å; W33-G37 PolarHBondContact O-N 3.2Å; W33-F47 AromaticContact CD1-CE1 3.53Å; W33-F47 HydrophobicContact CG-CE1 4.2Å; W33-F47 AromaticContact NE1-CE1 3.98Å; W33-V48 HydrophobicContact CB-CG2 4.09Å; W33-V48 HydrophobicContact CD2-CG2 3.96Å; W33-V48 HydrophobicContact CE3-CG1 4.38Å; W33-V48 HydrophobicContact CE3-CG2 3.93Å; W33-V48 HydrophobicContact CG-CG2 4.09Å; W33-V48 HydrophobicContact CZ3-CG1 4.26Å; W33-Y51 AromaticContact CZ2-CD1 3.75Å; W33-Y51 HydrophobicContact CZ2-CD1 3.75Å; W33-Y51 AromaticContact CZ2-CE1 3.6Å; W33-Y51 HydrophobicContact CZ2-CE1 3.6Å
34T91.1Very high89.3Confident51 Ų5152.3 Ų52.331%0.31327%0.268SS..Hα-helixtrans-61-42.4172.4-57.50000111.2F12 V30 R31 R32 L36 I44F12-T34 WeakPolarHBondContact CE2-OG1 3.46Å; V30-T34 WeakPolarHBondContact O-CB 3.44Å; V30-T34 PolarHBondContact O-N 3.34Å; V30-T34 PolarHBondContact O-OG1 3.37Å; R31-T34 PolarHBondContact O-N 3.08Å; R32-T34 VanDerWaalsContact C-N 3.34Å; R32-T34 PolarHBondContact O-N 2.71Å; T34-L36 VanDerWaalsContact C-N 3.29Å; T34-L36 PolarHBondContact O-N 2.66Å; T34-I44 HydrophobicContact CG2-CD1 4.48Å
35R89.9Confident89.2Confident99 Ų9956.6 Ų56.637%0.37429%0.286SS..Hα-helixtrans-65-29.6174-68.5-174-58.7-108.79113.2R31 R32 W33 E146 E187R31-R35 WeakPolarHBondContact O-CG 3.47Å; R31-R35 PolarHBondContact O-N 2.83Å; R32-R35 PolarHBondContact O-N 2.55Å; W33-R35 VanDerWaalsContact C-N 3.33Å; W33-R35 PolarHBondContact O-N 3Å; R35-E146 IonicContact CZ-OE1 3.37Å; R35-E146 IonicContact NH1-OE1 3.04Å; R35-E146 PolarHBondContact NH1-OE1 3.12Å; R35-E146 IonicContact NH2-OE1 3.59Å; R35-E146 PolarHBondContact NH2-OE1 3.49Å; R35-E187 IonicContact CZ-OE2 3.7Å; R35-E187 IonicContact NE-OE2 2.83Å; R35-E187 PolarHBondContact NE-OE2 2.99Å; R35-E187 IonicContact NH2-OE2 3.98Å
36L84.1Confident89.1Confident28 Ų2857.5 Ų57.515%0.14730%0.3CS..Hα-helixtrans-79.4-38.9179.3-77.4165000114R32 W33 T34 N38 F47 I186 E187 K215R32-L36 PolarHBondContact O-N 2.98Å; R32-L36 VanDerWaalsContact O-N 3.11Å; W33-L36 PolarHBondContact O-N 2.9Å; W33-L36 VanDerWaalsContact O-N 3.12Å; T34-L36 VanDerWaalsContact C-N 3.29Å; T34-L36 PolarHBondContact O-N 2.66Å; L36-N38 PolarHBondContact O-N 3.3Å; L36-N38 VanDerWaalsContact O-N 3.08Å; L36-F47 HydrophobicContact CB-CE1 4.48Å; L36-F47 HydrophobicContact CB-CZ 4.49Å; L36-F47 HydrophobicContact CD1-CE1 4.02Å; L36-F47 HydrophobicContact CD1-CZ 3.74Å; L36-I186 HydrophobicContact CD2-CG2 3.52Å; L36-E187 HydrophobicContact CD1-CB 4.46Å; L36-E187 HydrophobicContact CD1-CG 3.75Å; L36-E187 HydrophobicContact CD2-CG 3.88Å; L36-E187 HydrophobicContact CG-CG 3.5Å; L36-E187 VanDerWaalsContact CG-CG 3.5Å; L36-K215 VanDerWaalsContact CD2-NZ 3.32Å
37G73.8Confident89Confident4 Ų456.3 Ų56.34%0.04129%0.292CS..THydrogen-bonded Turntrans-75.112.4-175.700000115.4W33 S39 S43W33-G37 PolarHBondContact O-N 3.2Å; G37-S39 PolarHBondContact O-N 2.86Å; G37-S43 VanDerWaalsContact O-CB 3.29Å; G37-S43 WeakPolarHBondContact O-CB 3.02Å
38N69.8Low88.9Confident139 Ų13955.3 Ų55.374%0.74329%0.286SS*.THydrogen-bonded Turntrans50.430.3-179.1-68.4-32.1000114.9L36 D40L36-N38 PolarHBondContact O-N 3.3Å; L36-N38 VanDerWaalsContact O-N 3.08Å; N38-D40 PolarHBondContact O-N 2.86Å
39S70.3Confident88.8Confident107 Ų10756.3 Ų56.375%0.74830%0.295SS*.THydrogen-bonded Turntrans70.67.1172.1-45.60000118G37G37-S39 PolarHBondContact O-N 2.86Å
40D87Confident88.7Confident70 Ų7060.8 Ų60.837%0.37431%0.312SS..  trans-103.9140.1169.682.683.3000112.4N38 E42 S43 I44N38-D40 PolarHBondContact O-N 2.86Å; D40-E42 VanDerWaalsContact C-N 3.33Å; D40-E42 PolarHBondContact O-N 2.92Å; D40-E42 PolarHBondContact OD1-N 3.22Å; D40-S43 PolarHBondContact O-N 2.79Å; D40-S43 WeakPolarHBondContact OD1-CB 3.46Å; D40-S43 PolarHBondContact OD1-N 2.9Å; D40-S43 PolarHBondContact OD1-OG 2.62Å; D40-S43 VanDerWaalsContact OD1-OG 3.06Å; D40-S43 WeakPolarHBondContact OD2-CB 3.47Å; D40-S43 PolarHBondContact OD2-OG 3.12Å; D40-I44 WeakPolarHBondContact O-CG1 3.21Å; D40-I44 PolarHBondContact O-N 3.27Å
41E90.1Very high88.7Confident126 Ų12660.8 Ų60.859%0.58931%0.312SS*.Hα-helixtrans-61.1-37.2-172.1-72.1-173.8-175.200113.2I15 K45I15-E41 HydrophobicContact CB-CG 4.49Å; I15-E41 HydrophobicContact CD1-CG 4.13Å; I15-E41 HydrophobicContact CG1-CG 4.01Å; I15-E41 HydrophobicContact CG2-CB 3.7Å; I15-E41 HydrophobicContact CG2-CG 3.74Å; E41-K45 WeakPolarHBondContact O-CB 3.42Å; E41-K45 PolarHBondContact O-N 3.22Å
42E91Very high88.7Confident162 Ų16258 Ų5876%0.75730%0.304SS*.Hα-helixtrans-70.4-43.4-178.3-170.7177.1-179.100111.1D40 K45 S46D40-E42 VanDerWaalsContact C-N 3.33Å; D40-E42 PolarHBondContact O-N 2.92Å; D40-E42 PolarHBondContact OD1-N 3.22Å; E42-K45 PolarHBondContact O-N 2.86Å; E42-S46 VanDerWaalsContact O-CB 3.31Å; E42-S46 WeakPolarHBondContact O-CB 3.37Å; E42-S46 PolarHBondContact O-N 3.35Å
43S90.5Very high88.6Confident51 Ų5162.3 Ų62.336%0.35732%0.324SS..Hα-helixtrans-62.4-43.8174.5-68.80000112G37 D40 S46 F47G37-S43 VanDerWaalsContact O-CB 3.29Å; G37-S43 WeakPolarHBondContact O-CB 3.02Å; D40-S43 PolarHBondContact O-N 2.79Å; D40-S43 WeakPolarHBondContact OD1-CB 3.46Å; D40-S43 PolarHBondContact OD1-N 2.9Å; D40-S43 PolarHBondContact OD1-OG 2.62Å; D40-S43 VanDerWaalsContact OD1-OG 3.06Å; D40-S43 WeakPolarHBondContact OD2-CB 3.47Å; D40-S43 PolarHBondContact OD2-OG 3.12Å; S43-S46 PolarHBondContact O-N 3.23Å; S43-F47 VanDerWaalsContact O-CB 3.28Å; S43-F47 WeakPolarHBondContact O-CB 3.4Å; S43-F47 PolarHBondContact O-N 3.16Å
44I91.8Very high88.6Confident8 Ų862.4 Ų62.44%0.04133%0.325CS..Hα-helixtrans-59.8-51.8176.2-69.7168.2000110.1F12 L16 T34 D40 S46 F47 V48F12-I44 HydrophobicContact CD2-CG2 4.4Å; F12-I44 HydrophobicContact CE2-CG2 3.44Å; F12-I44 VanDerWaalsContact CE2-CG2 3.44Å; F12-I44 HydrophobicContact CZ-CG2 3.58Å; L16-I44 HydrophobicContact CD2-CG2 4.23Å; T34-I44 HydrophobicContact CG2-CD1 4.48Å; D40-I44 WeakPolarHBondContact O-CG1 3.21Å; D40-I44 PolarHBondContact O-N 3.27Å; I44-S46 PolarHBondContact O-N 3.38Å; I44-F47 PolarHBondContact O-N 3.12Å; I44-V48 HydrophobicContact CG2-CG2 4.44Å; I44-V48 WeakPolarHBondContact O-CG2 3.19Å; I44-V48 PolarHBondContact O-N 2.94Å
45K93.4Very high88.7Confident92 Ų9260.4 Ų60.440%0.431%0.311SS..Hα-helixtrans-58.7-48.5179.2178.8174.5179.2160.30111.8L16 E41 E42 F47 V48 S49L16-K45 HydrophobicContact CD2-CB 4.31Å; L16-K45 WeakPolarHBondContact O-CD 3.31Å; L16-K45 WeakPolarHBondContact O-CE 3.39Å; L16-K45 PolarHBondContact O-NZ 2.77Å; L16-K45 VanDerWaalsContact O-NZ 3.13Å; E41-K45 WeakPolarHBondContact O-CB 3.42Å; E41-K45 PolarHBondContact O-N 3.22Å; E42-K45 PolarHBondContact O-N 2.86Å; K45-F47 VanDerWaalsContact C-N 3.33Å; K45-F47 PolarHBondContact O-N 2.77Å; K45-V48 PolarHBondContact O-N 2.81Å; K45-S49 WeakPolarHBondContact O-CB 3.14Å; K45-S49 PolarHBondContact O-N 3.24Å; K45-S49 PolarHBondContact O-OG 2.94Å; K45-S49 VanDerWaalsContact O-OG 3.12Å
46S91.8Very high88.8Confident71 Ų7159.6 Ų59.650%0.49732%0.315SS..Hα-helixtrans-60.6-42.2178.9177.90000112.1E42 S43 I44 R50E42-S46 VanDerWaalsContact O-CB 3.31Å; E42-S46 WeakPolarHBondContact O-CB 3.37Å; E42-S46 PolarHBondContact O-N 3.35Å; S43-S46 PolarHBondContact O-N 3.23Å; I44-S46 PolarHBondContact O-N 3.38Å; S46-R50 VanDerWaalsContact O-CB 3.24Å; S46-R50 WeakPolarHBondContact O-CB 3.37Å; S46-R50 PolarHBondContact O-N 3.29Å; S46-R50 VanDerWaalsContact O-N 3.14Å
47F92.8Very high89.2Confident18 Ų1858.9 Ų58.98%0.07931%0.313CS..Hα-helixtrans-63.7-51.9177.8174.4-92.4000111.6W33 L36 S43 I44 K45 R50 Y51 E183 Y184W33-F47 AromaticContact CD1-CE1 3.53Å; W33-F47 HydrophobicContact CG-CE1 4.2Å; W33-F47 AromaticContact NE1-CE1 3.98Å; L36-F47 HydrophobicContact CB-CE1 4.48Å; L36-F47 HydrophobicContact CB-CZ 4.49Å; L36-F47 HydrophobicContact CD1-CE1 4.02Å; L36-F47 HydrophobicContact CD1-CZ 3.74Å; S43-F47 VanDerWaalsContact O-CB 3.28Å; S43-F47 WeakPolarHBondContact O-CB 3.4Å; S43-F47 PolarHBondContact O-N 3.16Å; I44-F47 PolarHBondContact O-N 3.12Å; K45-F47 VanDerWaalsContact C-N 3.33Å; K45-F47 PolarHBondContact O-N 2.77Å; F47-R50 PolarHBondContact O-N 3.47Å; F47-Y51 WeakPolarHBondContact O-CB 3.33Å; F47-Y51 PolarHBondContact O-N 3.25Å; F47-E183 VanDerWaalsContact CE2-O 3.3Å; F47-E183 WeakPolarHBondContact CE2-O 3.07Å; F47-Y184 AromaticContact CE2-CD1 3.72Å; F47-Y184 HydrophobicContact CE2-CD1 3.72Å; F47-Y184 HydrophobicContact CE2-CE1 4.1Å; F47-Y184 AromaticContact CZ-CD1 3.82Å; F47-Y184 HydrophobicContact CZ-CD1 3.82Å
48V94.5Very high90Very high0 Ų059.3 Ų59.30%031%0.314CS..Hα-helixtrans-64.4-45.5-176.8176.20000110.9F12 L16 F18 L20 W33 I44 K45 R50 Y51 L52F12-V48 HydrophobicContact CE1-CG2 4.21Å; F12-V48 HydrophobicContact CZ-CG2 3.93Å; L16-V48 HydrophobicContact CD1-CG1 3.94Å; L16-V48 HydrophobicContact CD2-CB 3.87Å; L16-V48 HydrophobicContact CD2-CG1 4.18Å; L16-V48 HydrophobicContact CD2-CG2 4.05Å; F18-V48 HydrophobicContact CE2-CG1 4.32Å; F18-V48 HydrophobicContact CZ-CG1 4.1Å; L20-V48 HydrophobicContact CD2-CG1 3.96Å; W33-V48 HydrophobicContact CB-CG2 4.09Å; W33-V48 HydrophobicContact CD2-CG2 3.96Å; W33-V48 HydrophobicContact CE3-CG1 4.38Å; W33-V48 HydrophobicContact CE3-CG2 3.93Å; W33-V48 HydrophobicContact CG-CG2 4.09Å; W33-V48 HydrophobicContact CZ3-CG1 4.26Å; I44-V48 HydrophobicContact CG2-CG2 4.44Å; I44-V48 WeakPolarHBondContact O-CG2 3.19Å; I44-V48 PolarHBondContact O-N 2.94Å; K45-V48 PolarHBondContact O-N 2.81Å; V48-R50 VanDerWaalsContact C-N 3.29Å; V48-R50 PolarHBondContact O-N 2.93Å; V48-Y51 PolarHBondContact O-N 3.05Å; V48-L52 HydrophobicContact CG1-CD1 4.05Å; V48-L52 HydrophobicContact CG1-CG 4.27Å; V48-L52 WeakPolarHBondContact O-CG 3.45Å; V48-L52 PolarHBondContact O-N 3.07Å
49S93.6Very high91Very high47 Ų4754.7 Ų54.733%0.32930%0.299SS..Hα-helixtrans-57.6-43.6176.3-65.60000111.9F18 K45 L52 E53F18-S49 VanDerWaalsContact CE1-OG 3.31Å; F18-S49 WeakPolarHBondContact CE1-OG 3.38Å; K45-S49 WeakPolarHBondContact O-CB 3.14Å; K45-S49 PolarHBondContact O-N 3.24Å; K45-S49 PolarHBondContact O-OG 2.94Å; K45-S49 VanDerWaalsContact O-OG 3.12Å; S49-L52 PolarHBondContact O-N 2.88Å; S49-E53 WeakPolarHBondContact O-CB 3.49Å; S49-E53 PolarHBondContact O-N 2.99Å
50R92.2Very high92Very high95 Ų9549.6 Ų49.636%0.35826%0.264SS..Hα-helixtrans-68.1-39.3178.7-177.3163.258.597.7-7.5112.6S46 F47 V48 Y54 E183 Y184S46-R50 VanDerWaalsContact O-CB 3.24Å; S46-R50 WeakPolarHBondContact O-CB 3.37Å; S46-R50 PolarHBondContact O-N 3.29Å; S46-R50 VanDerWaalsContact O-N 3.14Å; F47-R50 PolarHBondContact O-N 3.47Å; V48-R50 VanDerWaalsContact C-N 3.29Å; V48-R50 PolarHBondContact O-N 2.93Å; R50-Y54 WeakPolarHBondContact O-CB 3.4Å; R50-Y54 PolarHBondContact O-N 3.03Å; R50-E183 IonicContact CZ-OE1 3.65Å; R50-E183 VanDerWaalsContact NH1-CD 3.31Å; R50-E183 IonicContact NH1-OE1 3.89Å; R50-E183 PolarHBondContact NH1-OE1 2.96Å; R50-E183 IonicContact NH1-OE2 2.77Å; R50-E183 IonicContact NH2-OE1 2.78Å; R50-E183 PolarHBondContact NH2-OE1 3.43Å; R50-Y184 PolarHBondContact NH1-OH 2.83Å
51Y94.1Very high92Very high2 Ų249.4 Ų49.41%0.00826%0.26CS..Hα-helixtrans-63.8-42.3174.9170.9-109.1000111.7L24 W33 F47 V48 Y54 R55 E130 L133 Y184 Y185L24-Y51 HydrophobicContact CD1-CE1 4.07Å; W33-Y51 AromaticContact CZ2-CD1 3.75Å; W33-Y51 HydrophobicContact CZ2-CD1 3.75Å; W33-Y51 AromaticContact CZ2-CE1 3.6Å; W33-Y51 HydrophobicContact CZ2-CE1 3.6Å; F47-Y51 WeakPolarHBondContact O-CB 3.33Å; F47-Y51 PolarHBondContact O-N 3.25Å; V48-Y51 PolarHBondContact O-N 3.05Å; Y51-Y54 WeakPolarHBondContact O-CB 3.4Å; Y51-Y54 PolarHBondContact O-N 3.28Å; Y51-R55 VanDerWaalsContact O-CB 3.3Å; Y51-R55 WeakPolarHBondContact O-CB 3.5Å; Y51-R55 PolarHBondContact O-N 2.81Å; Y51-E130 WeakPolarHBondContact CE2-OE1 3.25Å; Y51-E130 VanDerWaalsContact CZ-OE1 3.31Å; Y51-E130 PolarHBondContact OH-OE1 3.15Å; Y51-L133 WeakPolarHBondContact OH-CD2 3.48Å; Y51-Y184 AromaticContact CD2-CD1 3.64Å; Y51-Y184 HydrophobicContact CD2-CD1 3.64Å; Y51-Y184 HydrophobicContact CD2-CE1 4.33Å; Y51-Y184 AromaticContact CD2-CG 3.94Å; Y51-Y184 HydrophobicContact CD2-CG 3.94Å; Y51-Y184 HydrophobicContact CG-CD1 4.2Å; Y51-Y185 AromaticContact CE2-CE1 3.94Å; Y51-Y185 HydrophobicContact CE2-CE1 3.94Å
52L94.5Very high91.8Very high33 Ų3350.4 Ų50.417%0.17327%0.27CS..Hα-helixtrans-65.6-44177.3-67.7178.5000112.2F18 P21 L24 V48 S49 Y54 R55 N56F18-L52 HydrophobicContact CE2-CD1 3.59Å; F18-L52 HydrophobicContact CZ-CD1 4.16Å; P21-L52 HydrophobicContact CG-CD2 3.93Å; L24-L52 HydrophobicContact CD1-CD2 3.62Å; V48-L52 HydrophobicContact CG1-CD1 4.05Å; V48-L52 HydrophobicContact CG1-CG 4.27Å; V48-L52 WeakPolarHBondContact O-CG 3.45Å; V48-L52 PolarHBondContact O-N 3.07Å; S49-L52 PolarHBondContact O-N 2.88Å; L52-Y54 VanDerWaalsContact C-N 3.31Å; L52-Y54 PolarHBondContact O-N 3.29Å; L52-R55 PolarHBondContact O-N 3.19Å; L52-N56 WeakPolarHBondContact O-CB 3.19Å; L52-N56 PolarHBondContact O-N 3.17Å
53E92Very high91.9Very high97 Ų9744.8 Ų44.845%0.45325%0.246SC..Hα-helixtrans-61.2-42.4174.6-164.6-168.2177.200111.2S49 A57 L331S49-E53 WeakPolarHBondContact O-CB 3.49Å; S49-E53 PolarHBondContact O-N 2.99Å; E53-A57 WeakPolarHBondContact O-CB 3.48Å; E53-A57 PolarHBondContact O-N 3.1Å; E53-L331 HydrophobicContact CG-CD1 3.79Å; E53-L331 HydrophobicContact CG-CG 4.31Å; E53-L331 WeakPolarHBondContact OE1-CD1 3.33Å; E53-L331 VanDerWaalsContact OE1-CG 3.27Å; E53-L331 WeakPolarHBondContact OE1-CG 3.19Å
54Y92.3Very high92.1Very high10 Ų1045.5 Ų45.54%0.03925%0.246CC..Hα-helixtrans-61.6-49.9176.5178.3-104.1000112.1R50 Y51 L52 N56 A57 I58 A126 L180 Y184 P334 L336R50-Y54 WeakPolarHBondContact O-CB 3.4Å; R50-Y54 PolarHBondContact O-N 3.03Å; Y51-Y54 WeakPolarHBondContact O-CB 3.4Å; Y51-Y54 PolarHBondContact O-N 3.28Å; L52-Y54 VanDerWaalsContact C-N 3.31Å; L52-Y54 PolarHBondContact O-N 3.29Å; Y54-N56 PolarHBondContact O-N 3.01Å; Y54-A57 PolarHBondContact O-N 2.99Å; Y54-I58 HydrophobicContact CD1-CD1 3.56Å; Y54-I58 HydrophobicContact CD2-CD1 4.4Å; Y54-I58 HydrophobicContact CE1-CD1 3.18Å; Y54-I58 HydrophobicContact CE1-CG1 4.37Å; Y54-I58 HydrophobicContact CE2-CD1 4.06Å; Y54-I58 HydrophobicContact CE2-CG1 4.5Å; Y54-I58 HydrophobicContact CG-CD1 4.14Å; Y54-I58 VanDerWaalsContact CZ-CD1 3.42Å; Y54-I58 WeakPolarHBondContact O-CD1 3.5Å; Y54-I58 VanDerWaalsContact O-CG1 3.29Å; Y54-I58 WeakPolarHBondContact O-CG1 3.34Å; Y54-I58 PolarHBondContact O-N 3.08Å; Y54-A126 HydrophobicContact CE1-CB 4.27Å; Y54-A126 WeakPolarHBondContact OH-CB 3.25Å; Y54-L180 HydrophobicContact CE1-CD2 4.46Å; Y54-L180 HydrophobicContact CE2-CD1 4.29Å; Y54-L180 WeakPolarHBondContact OH-CD1 3.38Å; Y54-L180 VanDerWaalsContact OH-CD2 3.27Å; Y54-L180 WeakPolarHBondContact OH-CD2 3.05Å; Y54-Y184 HydrophobicContact CD1-CD2 4.05Å; Y54-Y184 AromaticContact CD1-CE2 3.83Å; Y54-Y184 HydrophobicContact CD1-CE2 3.83Å; Y54-Y184 HydrophobicContact CD2-CE2 4.35Å; Y54-Y184 AromaticContact CE1-CD2 3.85Å; Y54-Y184 HydrophobicContact CE1-CD2 3.85Å; Y54-Y184 AromaticContact CE1-CE2 3.82Å; Y54-Y184 HydrophobicContact CE1-CE2 3.82Å; Y54-Y184 HydrophobicContact CE2-CE2 4.39Å; Y54-Y184 HydrophobicContact CG-CE2 4.11Å; Y54-P334 HydrophobicContact CD2-CB 3.44Å; Y54-P334 VanDerWaalsContact CD2-CB 3.44Å; Y54-P334 HydrophobicContact CD2-CG 4.27Å; Y54-P334 HydrophobicContact CE2-CB 3.61Å; Y54-P334 HydrophobicContact CE2-CG 4Å; Y54-P334 HydrophobicContact CG-CB 4.46Å; Y54-L336 HydrophobicContact CE2-CD2 3.87Å
55R93.5Very high92.3Very high9 Ų945.1 Ų45.13%0.03424%0.244CC..Hα-helixtrans-60.2-43.2178-175.5179-178.1-114.7-9.2112.2Y51 L52 I58 G59 T60 E61 E130Y51-R55 VanDerWaalsContact O-CB 3.3Å; Y51-R55 WeakPolarHBondContact O-CB 3.5Å; Y51-R55 PolarHBondContact O-N 2.81Å; L52-R55 PolarHBondContact O-N 3.19Å; R55-I58 PolarHBondContact O-N 2.75Å; R55-G59 PolarHBondContact O-N 3.02Å; R55-T60 PolarHBondContact NH2-O 3.45Å; R55-T60 PolarHBondContact O-N 2.76Å; R55-T60 PolarHBondContact O-OG1 3.39Å; R55-E61 PolarHBondContact NH2-O 3.28Å; R55-E130 WeakPolarHBondContact CD-OE2 3.35Å; R55-E130 IonicContact CZ-OE2 3.24Å; R55-E130 IonicContact NE-OE2 3.42Å; R55-E130 PolarHBondContact NE-OE2 3.38Å; R55-E130 IonicContact NH2-OE2 2.66Å
56N92.7Very high92.5Very high83 Ų8342.5 Ų42.544%0.44423%0.234SC..Hα-helixtrans-61.1-47.4174.5-178.616.5000111.1L52 Y54 I58 G59L52-N56 WeakPolarHBondContact O-CB 3.19Å; L52-N56 PolarHBondContact O-N 3.17Å; Y54-N56 PolarHBondContact O-N 3.01Å; N56-I58 VanDerWaalsContact C-N 3.28Å; N56-I58 PolarHBondContact O-N 3.41Å; N56-G59 WeakPolarHBondContact O-CA 3.27Å; N56-G59 PolarHBondContact O-N 2.96Å
57A91.6Very high92.6Very high12 Ų1249.3 Ų49.310%0.09925%0.249CC..Hα-helixtrans-66.8-25.1-179.400000113.9E53 Y54 G59 L331 P334E53-A57 WeakPolarHBondContact O-CB 3.48Å; E53-A57 PolarHBondContact O-N 3.1Å; Y54-A57 PolarHBondContact O-N 2.99Å; A57-G59 VanDerWaalsContact C-N 3.3Å; A57-L331 HydrophobicContact CB-CB 3.74Å; A57-L331 HydrophobicContact CB-CD1 4.46Å; A57-P334 HydrophobicContact CB-CB 3.94Å; A57-P334 HydrophobicContact CB-CG 4.4Å
58I91.5Very high92.8Very high13 Ų1350.7 Ų50.77%0.06726%0.259CS..Hα-helixtrans-73.9-26.5170.6-62.6157.1000111.4Y54 R55 N56 T60 M123 A126 P334Y54-I58 HydrophobicContact CD1-CD1 3.56Å; Y54-I58 HydrophobicContact CD2-CD1 4.4Å; Y54-I58 HydrophobicContact CE1-CD1 3.18Å; Y54-I58 HydrophobicContact CE1-CG1 4.37Å; Y54-I58 HydrophobicContact CE2-CD1 4.06Å; Y54-I58 HydrophobicContact CE2-CG1 4.5Å; Y54-I58 HydrophobicContact CG-CD1 4.14Å; Y54-I58 VanDerWaalsContact CZ-CD1 3.42Å; Y54-I58 WeakPolarHBondContact O-CD1 3.5Å; Y54-I58 VanDerWaalsContact O-CG1 3.29Å; Y54-I58 WeakPolarHBondContact O-CG1 3.34Å; Y54-I58 PolarHBondContact O-N 3.08Å; R55-I58 PolarHBondContact O-N 2.75Å; N56-I58 VanDerWaalsContact C-N 3.28Å; N56-I58 PolarHBondContact O-N 3.41Å; I58-T60 HydrophobicContact CB-CG2 4.45Å; I58-T60 HydrophobicContact CG2-CG2 3.65Å; I58-M123 HydrophobicContact CB-CE 4.21Å; I58-M123 HydrophobicContact CG1-CE 4.16Å; I58-M123 HydrophobicContact CG1-SD 4.33Å; I58-M123 HydrophobicContact CG2-CE 3.83Å; I58-A126 HydrophobicContact CD1-CB 3.63Å; I58-A126 HydrophobicContact CG1-CB 4.3Å; I58-P334 HydrophobicContact CG1-CG 3.96Å
59G90.6Very high92.8Very high42 Ų4250.9 Ų50.943%0.43326%0.26SS..THydrogen-bonded Turntrans83.627.4-175.800000113.3R55 N56 A57 V63R55-G59 PolarHBondContact O-N 3.02Å; N56-G59 WeakPolarHBondContact O-CA 3.27Å; N56-G59 PolarHBondContact O-N 2.96Å; A57-G59 VanDerWaalsContact C-N 3.3Å; G59-V63 WeakPolarHBondContact O-CG2 3.46Å
60T90.6Very high92.8Very high1 Ų152.7 Ų52.71%0.00626%0.264CS..  trans-100.5-0.1-177.943.30000114.2R55 I58 N62 L65 E130R55-T60 PolarHBondContact NH2-O 3.45Å; R55-T60 PolarHBondContact O-N 2.76Å; R55-T60 PolarHBondContact O-OG1 3.39Å; I58-T60 HydrophobicContact CB-CG2 4.45Å; I58-T60 HydrophobicContact CG2-CG2 3.65Å; T60-N62 PolarHBondContact O-N 3.39Å; T60-L65 HydrophobicContact CG2-CD1 4.08Å; T60-E130 HydrophobicContact CG2-CB 4.25Å; T60-E130 HydrophobicContact CG2-CG 4.12Å; T60-E130 WeakPolarHBondContact OG1-CG 3.49Å
61E86.2Confident92.9Very high65 Ų6552.5 Ų52.530%0.30428%0.278SS..THydrogen-bonded Turntrans-59.6-43.9-174.2-174.5171.8-16000113.9R55R55-E61 PolarHBondContact NH2-O 3.28Å
62N86.8Confident92.9Very high147 Ų14753.6 Ų53.679%0.78628%0.284SS*.THydrogen-bonded Turntrans-122.430.6-173.4-62.6-55.7000112.3T60T60-N62 PolarHBondContact O-N 3.39Å
63V92.6Very high92.9Very high44 Ų4459.3 Ų59.327%0.26731%0.31SS..  trans-111.2124.4-178.6178.50000109.3G59 L65 T68 Q134G59-V63 WeakPolarHBondContact O-CG2 3.46Å; V63-L65 VanDerWaalsContact C-N 3.33Å; V63-L65 HydrophobicContact CG1-CD2 3.82Å; V63-L65 HydrophobicContact CG1-CG 4.19Å; V63-L65 PolarHBondContact O-N 3.34Å; V63-T68 WeakPolarHBondContact CG1-OG1 3.26Å; V63-Q134 PolarHBondContact O-NE2 2.88Å
64D95.5Very high93Very high66 Ų6655.5 Ų55.535%0.35329%0.292SS..  trans-76.683.6172.2-178.9-6.2000109.7L66 R67 T68D64-L66 PolarHBondContact O-N 3.35Å; D64-L66 WeakPolarHBondContact OD1-CB 3.46Å; D64-L66 PolarHBondContact OD1-N 2.97Å; D64-L66 VanDerWaalsContact OD1-N 3.16Å; D64-R67 PolarHBondContact O-N 2.86Å; D64-R67 VanDerWaalsContact O-N 3.12Å; D64-R67 PolarHBondContact OD1-N 3.38Å; D64-R67 WeakPolarHBondContact OD2-CD 3.36Å; D64-R67 VanDerWaalsContact OD2-CG 3.27Å; D64-R67 WeakPolarHBondContact OD2-CG 3.13Å; D64-R67 IonicContact OD2-CZ 3.48Å; D64-R67 IonicContact OD2-NE 3.84Å; D64-R67 PolarHBondContact OD2-NE 3.35Å; D64-T68 PolarHBondContact O-N 3.21Å; D64-T68 PolarHBondContact O-OG1 3.34Å
65L96.3Very high93.2Very high0 Ų055 Ų550%029%0.29CS..Hα-helixtrans-66.5-23.1179.5-66.8172.5000111.2T60 V63 R67 T68 F69 T127 E130 Y131T60-L65 HydrophobicContact CG2-CD1 4.08Å; V63-L65 VanDerWaalsContact C-N 3.33Å; V63-L65 HydrophobicContact CG1-CD2 3.82Å; V63-L65 HydrophobicContact CG1-CG 4.19Å; V63-L65 PolarHBondContact O-N 3.34Å; L65-R67 PolarHBondContact O-N 3.35Å; L65-T68 PolarHBondContact O-N 2.66Å; L65-F69 WeakPolarHBondContact O-CA 3.14Å; L65-F69 WeakPolarHBondContact O-CB 3.45Å; L65-F69 PolarHBondContact O-N 3.47Å; L65-T127 HydrophobicContact CD1-CG2 4.17Å; L65-T127 HydrophobicContact CD2-CG2 3.83Å; L65-E130 HydrophobicContact CD1-CB 3.58Å; L65-Y131 HydrophobicContact CB-CD2 3.99Å
66L95.8Very high93.2Very high37 Ų3758.4 Ų58.419%0.19431%0.309CS..Hα-helixtrans-59.8-31.4173.8-56.1-174.6000112.1D64 P88 Y131 Q134 Q135 T138D64-L66 PolarHBondContact O-N 3.35Å; D64-L66 WeakPolarHBondContact OD1-CB 3.46Å; D64-L66 PolarHBondContact OD1-N 2.97Å; D64-L66 VanDerWaalsContact OD1-N 3.16Å; L66-P88 HydrophobicContact CB-CB 4.38Å; L66-P88 HydrophobicContact CD2-CB 4.28Å; L66-Y131 HydrophobicContact CD2-CD2 4.21Å; L66-Y131 HydrophobicContact CD2-CE2 3.98Å; L66-Q134 HydrophobicContact CD2-CB 4.07Å; L66-Q134 HydrophobicContact CG-CB 4.22Å; L66-Q135 HydrophobicContact CD2-CB 4.26Å; L66-Q135 HydrophobicContact CD2-CG 3.33Å; L66-T138 HydrophobicContact CD1-CG2 4.37Å; L66-T138 WeakPolarHBondContact CD1-OG1 3.43Å
67R95.3Very high93.2Very high214 Ų21455.6 Ų55.681%0.80830%0.296SS*.Hα-helixtrans-96.7-33.6175.2-64.6-175.5-173.5-178.3-0.1113.8D64 L65D64-R67 PolarHBondContact O-N 2.86Å; D64-R67 VanDerWaalsContact O-N 3.12Å; D64-R67 PolarHBondContact OD1-N 3.38Å; D64-R67 WeakPolarHBondContact OD2-CD 3.36Å; D64-R67 VanDerWaalsContact OD2-CG 3.27Å; D64-R67 WeakPolarHBondContact OD2-CG 3.13Å; D64-R67 IonicContact OD2-CZ 3.48Å; D64-R67 IonicContact OD2-NE 3.84Å; D64-R67 PolarHBondContact OD2-NE 3.35Å; L65-R67 PolarHBondContact O-N 3.35Å
68T95.8Very high93.4Very high48 Ų4855.1 Ų55.129%0.29429%0.291SS..Hα-helixtrans-110.96.7-16971.70000114.4V63 D64 L65 M70 S71 N72V63-T68 WeakPolarHBondContact CG1-OG1 3.26Å; D64-T68 PolarHBondContact O-N 3.21Å; D64-T68 PolarHBondContact O-OG1 3.34Å; L65-T68 PolarHBondContact O-N 2.66Å; T68-M70 PolarHBondContact O-N 3.35Å; T68-S71 PolarHBondContact O-N 2.66Å; T68-S71 PolarHBondContact O-OG 3.06Å; T68-N72 PolarHBondContact O-N 3.07Å
69F95.4Very high93.6Very high4 Ų454.7 Ų54.72%0.01829%0.289CS..G310 helixtrans-55-50.9-177.3176.5-106.4000112L65 S71 N72 V75 L84 V86 T127 L128 Y131L65-F69 WeakPolarHBondContact O-CA 3.14Å; L65-F69 WeakPolarHBondContact O-CB 3.45Å; L65-F69 PolarHBondContact O-N 3.47Å; F69-S71 VanDerWaalsContact C-N 3.26Å; F69-S71 PolarHBondContact O-N 3.26Å; F69-N72 WeakPolarHBondContact O-CB 3.41Å; F69-N72 PolarHBondContact O-N 3.05Å; F69-V75 HydrophobicContact CD1-CG1 4.25Å; F69-V75 HydrophobicContact CD2-CG1 4.41Å; F69-V75 HydrophobicContact CD2-CG2 3.73Å; F69-V75 HydrophobicContact CE1-CG1 3.84Å; F69-V75 HydrophobicContact CE2-CB 4.44Å; F69-V75 HydrophobicContact CE2-CG1 4.02Å; F69-V75 HydrophobicContact CE2-CG2 3.48Å; F69-V75 VanDerWaalsContact CE2-CG2 3.48Å; F69-V75 HydrophobicContact CG-CG1 4.5Å; F69-V75 HydrophobicContact CG-CG2 4.45Å; F69-V75 HydrophobicContact CZ-CG1 3.7Å; F69-V75 HydrophobicContact CZ-CG2 4.02Å; F69-V75 VanDerWaalsContact O-CB 3.24Å; F69-V75 WeakPolarHBondContact O-CB 3.01Å; F69-V75 WeakPolarHBondContact O-CG1 3.29Å; F69-V75 WeakPolarHBondContact O-CG2 3.37Å; F69-L84 HydrophobicContact CE1-CD1 4.49Å; F69-V86 HydrophobicContact CE1-CG1 4.27Å; F69-T127 HydrophobicContact CD2-CG2 4.45Å; F69-L128 HydrophobicContact CE1-CD1 4.48Å; F69-L128 HydrophobicContact CE2-CD1 3.93Å; F69-L128 HydrophobicContact CZ-CD1 3.51Å; F69-Y131 HydrophobicContact CB-CD2 3.76Å; F69-Y131 HydrophobicContact CB-CE2 3.82Å; F69-Y131 HydrophobicContact CB-CG 4.26Å; F69-Y131 HydrophobicContact CD1-CD1 4.29Å; F69-Y131 HydrophobicContact CD1-CE1 4.14Å; F69-Y131 AromaticContact CD2-CD1 3.88Å; F69-Y131 HydrophobicContact CD2-CD1 3.88Å; F69-Y131 AromaticContact CD2-CD2 3.91Å; F69-Y131 HydrophobicContact CD2-CD2 3.91Å; F69-Y131 HydrophobicContact CD2-CE1 4.5Å; F69-Y131 AromaticContact CD2-CG 3.53Å; F69-Y131 HydrophobicContact CD2-CG 3.53Å; F69-Y131 HydrophobicContact CE1-CD1 4.35Å; F69-Y131 HydrophobicContact CE1-CE1 4.33Å; F69-Y131 AromaticContact CE2-CD1 3.94Å; F69-Y131 HydrophobicContact CE2-CD1 3.94Å; F69-Y131 AromaticContact CE2-CG 3.96Å; F69-Y131 HydrophobicContact CE2-CG 3.96Å; F69-Y131 HydrophobicContact CG-CD1 4.07Å; F69-Y131 AromaticContact CG-CD2 3.87Å; F69-Y131 HydrophobicContact CG-CD2 3.87Å; F69-Y131 HydrophobicContact CG-CE1 4.25Å; F69-Y131 HydrophobicContact CG-CE2 4.06Å; F69-Y131 AromaticContact CG-CG 3.87Å; F69-Y131 HydrophobicContact CG-CG 3.87Å; F69-Y131 HydrophobicContact CZ-CD1 4.19Å
70M93.5Very high93.7Very high84 Ų8454.5 Ų54.541%0.41428%0.277SS..G310 helixtrans-68.3-21-177.2-70.7-58.3-67.600114.5T68 I79 V86 T264T68-M70 PolarHBondContact O-N 3.35Å; M70-I79 HydrophobicContact CE-CG1 3.98Å; M70-I79 HydrophobicContact CE-CG2 4.48Å; M70-I79 HydrophobicContact SD-CG1 4Å; M70-V86 HydrophobicContact CE-CG1 4.31Å; M70-V86 HydrophobicContact CE-CG2 4.3Å; M70-V86 HydrophobicContact CG-CB 4.19Å; M70-V86 HydrophobicContact CG-CG2 4.3Å; M70-V86 HydrophobicContact SD-CB 3.53Å; M70-V86 VanDerWaalsContact SD-CB 3.53Å; M70-V86 HydrophobicContact SD-CG1 3.44Å; M70-V86 WeakPolarHBondContact SD-CG1 3.18Å; M70-V86 HydrophobicContact SD-CG2 3.83Å; M70-T264 HydrophobicContact CE-CG2 4.21Å
71S93.6Very high93.9Very high92 Ų9255.7 Ų55.764%0.64328%0.282SS*.G310 helixtrans-101.80.9178.156.80000113.3T68 F69T68-S71 PolarHBondContact O-N 2.66Å; T68-S71 PolarHBondContact O-OG 3.06Å; F69-S71 VanDerWaalsContact C-N 3.26Å; F69-S71 PolarHBondContact O-N 3.26Å
72N95.2Very high94.3Very high24 Ų2453.5 Ų53.513%0.12827%0.272CS..  trans-72.6133.8178.6-173.3-71.9000110.3T68 F69 N74 V75 D76T68-N72 PolarHBondContact O-N 3.07Å; F69-N72 WeakPolarHBondContact O-CB 3.41Å; F69-N72 PolarHBondContact O-N 3.05Å; N72-N74 VanDerWaalsContact C-N 3.28Å; N72-N74 PolarHBondContact O-N 3.4Å; N72-N74 WeakPolarHBondContact OD1-CB 3.33Å; N72-N74 PolarHBondContact OD1-N 2.97Å; N72-V75 HydrophobicContact CB-CB 4.16Å; N72-V75 HydrophobicContact CB-CG2 3.9Å; N72-V75 CarbonylContact O-C 3.55Å; N72-V75 WeakPolarHBondContact O-CA 3.46Å; N72-V75 WeakPolarHBondContact O-CB 3.45Å; N72-V75 PolarHBondContact O-N 3.41Å; N72-D76 PolarHBondContact O-N 3.49Å
73E93.8Very high94.8Very high154 Ų15447.4 Ų47.472%0.7224%0.238SC*.Hα-helixtrans-59.7-34.8-177.662.5-180-170.400113.9V75 C77E73-V75 PolarHBondContact O-N 3.12Å; E73-C77 PolarHBondContact O-SG 3.16Å
74N95.2Very high95Very high16 Ų1645.8 Ų45.89%0.08623%0.228CC..Hα-helixtrans-72.1-17.3176.6-65.1-50.5000111.4N72 C77 M123 F124 T127N72-N74 VanDerWaalsContact C-N 3.28Å; N72-N74 PolarHBondContact O-N 3.4Å; N72-N74 WeakPolarHBondContact OD1-CB 3.33Å; N72-N74 PolarHBondContact OD1-N 2.97Å; N74-C77 PolarHBondContact O-SG 2.99Å; N74-M123 HydrophobicContact CB-CB 4.07Å; N74-M123 WeakPolarHBondContact OD1-CB 3.21Å; N74-F124 WeakPolarHBondContact O-CA 3.28Å; N74-F124 WeakPolarHBondContact O-CB 3.38Å; N74-T127 WeakPolarHBondContact CB-OG1 3.44Å
75V96.5Very high95.1Very high0 Ų042.9 Ų42.90%021%0.212CC..Hα-helixtrans-93.6-50.4178.6-179.80000110.7F69 N72 E73 C77 V78 I79 F124 T127F69-V75 HydrophobicContact CD1-CG1 4.25Å; F69-V75 HydrophobicContact CD2-CG1 4.41Å; F69-V75 HydrophobicContact CD2-CG2 3.73Å; F69-V75 HydrophobicContact CE1-CG1 3.84Å; F69-V75 HydrophobicContact CE2-CB 4.44Å; F69-V75 HydrophobicContact CE2-CG1 4.02Å; F69-V75 HydrophobicContact CE2-CG2 3.48Å; F69-V75 VanDerWaalsContact CE2-CG2 3.48Å; F69-V75 HydrophobicContact CG-CG1 4.5Å; F69-V75 HydrophobicContact CG-CG2 4.45Å; F69-V75 HydrophobicContact CZ-CG1 3.7Å; F69-V75 HydrophobicContact CZ-CG2 4.02Å; F69-V75 VanDerWaalsContact O-CB 3.24Å; F69-V75 WeakPolarHBondContact O-CB 3.01Å; F69-V75 WeakPolarHBondContact O-CG1 3.29Å; F69-V75 WeakPolarHBondContact O-CG2 3.37Å; N72-V75 HydrophobicContact CB-CB 4.16Å; N72-V75 HydrophobicContact CB-CG2 3.9Å; N72-V75 CarbonylContact O-C 3.55Å; N72-V75 WeakPolarHBondContact O-CA 3.46Å; N72-V75 WeakPolarHBondContact O-CB 3.45Å; N72-V75 PolarHBondContact O-N 3.41Å; E73-V75 PolarHBondContact O-N 3.12Å; V75-C77 PolarHBondContact O-N 2.97Å; V75-C77 VanDerWaalsContact O-N 3.16Å; V75-V78 PolarHBondContact O-N 3.11Å; V75-I79 HydrophobicContact CG1-CB 3.73Å; V75-I79 HydrophobicContact CG1-CG1 4.11Å; V75-I79 HydrophobicContact CG1-CG2 3.92Å; V75-I79 VanDerWaalsContact O-CB 3.31Å; V75-I79 WeakPolarHBondContact O-CB 3.42Å; V75-I79 VanDerWaalsContact O-CG2 3.23Å; V75-I79 WeakPolarHBondContact O-CG2 3.39Å; V75-I79 PolarHBondContact O-N 2.6Å; V75-F124 HydrophobicContact CG1-CE2 4.32Å; V75-T127 HydrophobicContact CG2-CG2 3.56Å
76D93.6Very high94.9Very high81 Ų8143.5 Ų43.543%0.43322%0.216SC..Hα-helixtrans-54.5-36.7-176-174.956.8000113.3N72 V78 Q80N72-D76 PolarHBondContact O-N 3.49Å; D76-V78 PolarHBondContact O-N 2.77Å; D76-V78 VanDerWaalsContact O-N 3.16Å; D76-Q80 PolarHBondContact O-NE2 2.59Å
77C92.1Very high94.8Very high24 Ų2446 Ų4616%0.16223%0.226CC..Hα-helixtrans-66.4-16.5-179.562.80000114.9E73 N74 V75E73-C77 PolarHBondContact O-SG 3.16Å; N74-C77 PolarHBondContact O-SG 2.99Å; V75-C77 PolarHBondContact O-N 2.97Å; V75-C77 VanDerWaalsContact O-N 3.16Å
78V95.6Very high94.7Very high1 Ų138.2 Ų38.21%0.00620%0.203CC..Hα-helixtrans-125-41.3-178.1-178.20000112.2V75 D76 Q80 Y81 I82 I116 L121 F124V75-V78 PolarHBondContact O-N 3.11Å; D76-V78 PolarHBondContact O-N 2.77Å; D76-V78 VanDerWaalsContact O-N 3.16Å; V78-Q80 PolarHBondContact O-N 3.26Å; V78-Y81 PolarHBondContact O-N 3.14Å; V78-I82 HydrophobicContact CG1-CD1 3.94Å; V78-I82 HydrophobicContact CG1-CG1 4.4Å; V78-I82 HydrophobicContact CG1-CG2 4.39Å; V78-I116 HydrophobicContact CG2-CD1 4.16Å; V78-L121 HydrophobicContact CG1-CD1 4.07Å; V78-L121 HydrophobicContact CG2-CD1 4.44Å; V78-F124 HydrophobicContact CB-CB 4.04Å; V78-F124 HydrophobicContact CB-CD1 4.38Å; V78-F124 HydrophobicContact CB-CD2 3.76Å; V78-F124 HydrophobicContact CB-CE2 4.39Å; V78-F124 HydrophobicContact CB-CG 3.78Å; V78-F124 HydrophobicContact CG1-CD1 4.05Å; V78-F124 HydrophobicContact CG1-CD2 4.17Å; V78-F124 HydrophobicContact CG1-CE1 4.38Å; V78-F124 HydrophobicContact CG1-CG 3.96Å; V78-F124 HydrophobicContact CG2-CB 3.79Å; V78-F124 HydrophobicContact CG2-CD2 4.43Å; V78-F124 HydrophobicContact CG2-CG 4.08Å
79I95.3Very high94.6Very high4 Ų437.4 Ų37.42%0.02120%0.196CC..Hα-helixtrans-55.3-32.8-170.4-16958.1000113.3M70 V75 Y81 I82 L84 V86 F124 T264M70-I79 HydrophobicContact CE-CG1 3.98Å; M70-I79 HydrophobicContact CE-CG2 4.48Å; M70-I79 HydrophobicContact SD-CG1 4Å; V75-I79 HydrophobicContact CG1-CB 3.73Å; V75-I79 HydrophobicContact CG1-CG1 4.11Å; V75-I79 HydrophobicContact CG1-CG2 3.92Å; V75-I79 VanDerWaalsContact O-CB 3.31Å; V75-I79 WeakPolarHBondContact O-CB 3.42Å; V75-I79 VanDerWaalsContact O-CG2 3.23Å; V75-I79 WeakPolarHBondContact O-CG2 3.39Å; V75-I79 PolarHBondContact O-N 2.6Å; I79-Y81 PolarHBondContact O-N 2.94Å; I79-I82 HydrophobicContact CD1-CG1 4.4Å; I79-I82 PolarHBondContact O-N 3.19Å; I79-L84 HydrophobicContact CD1-CD1 3.65Å; I79-L84 HydrophobicContact CD1-CD2 3.32Å; I79-L84 HydrophobicContact CD1-CG 3.47Å; I79-L84 VanDerWaalsContact CD1-CG 3.47Å; I79-V86 HydrophobicContact CD1-CG1 4Å; I79-V86 HydrophobicContact CG1-CG1 4.47Å; I79-F124 HydrophobicContact CB-CE2 4.43Å; I79-F124 HydrophobicContact CD1-CE2 4.41Å; I79-T264 HydrophobicContact CD1-CG2 4.31Å; I79-T264 HydrophobicContact CG1-CG2 4.25Å
80Q92.6Very high94.7Very high39 Ų3937.6 Ų37.618%0.18220%0.197CC..THydrogen-bonded Turntrans-70.2-12.9-178.765.5-177.9-52.500113.9D76 V78 R267D76-Q80 PolarHBondContact O-NE2 2.59Å; V78-Q80 PolarHBondContact O-N 3.26Å; Q80-R267 HydrophobicContact CB-CG 4.37Å; Q80-R267 PolarHBondContact O-N 3.45Å
81Y95.1Very high94.9Very high26 Ų2634.9 Ų34.910%0.10219%0.186CC..THydrogen-bonded Turntrans-111-4.3-178.3-51.7-57.5000113.5V78 I79 T107 L112 N266 I269 P270V78-Y81 PolarHBondContact O-N 3.14Å; I79-Y81 PolarHBondContact O-N 2.94Å; Y81-T107 WeakPolarHBondContact O-CB 3.26Å; Y81-T107 WeakPolarHBondContact O-CG2 3.46Å; Y81-T107 PolarHBondContact O-OG1 2.76Å; Y81-L112 HydrophobicContact CD2-CD1 3.61Å; Y81-L112 HydrophobicContact CE2-CD1 4.48Å; Y81-L112 HydrophobicContact CG-CD1 3.92Å; Y81-N266 PolarHBondContact O-OD1 3.5Å; Y81-I269 HydrophobicContact CD1-CB 4.48Å; Y81-I269 HydrophobicContact CD1-CG1 3.74Å; Y81-I269 HydrophobicContact CE1-CG1 4.4Å; Y81-I269 HydrophobicContact CG-CG1 4.15Å; Y81-P270 WeakPolarHBondContact OH-CD 3.4Å
82I95.7Very high95.1Very high19 Ų1930.5 Ų30.510%0.09716%0.155CC..SBendtrans-124.4155.7-178.159.9170.9000109.9V78 I79 L84 T107 Y109 L112 F124 T264 N266V78-I82 HydrophobicContact CG1-CD1 3.94Å; V78-I82 HydrophobicContact CG1-CG1 4.4Å; V78-I82 HydrophobicContact CG1-CG2 4.39Å; I79-I82 HydrophobicContact CD1-CG1 4.4Å; I79-I82 PolarHBondContact O-N 3.19Å; I82-L84 HydrophobicContact CD1-CD2 3.27Å; I82-L84 HydrophobicContact CG1-CD2 3.68Å; I82-T107 HydrophobicContact CG2-CG2 4.34Å; I82-Y109 HydrophobicContact CG2-CE1 4.17Å; I82-L112 HydrophobicContact CG2-CD2 4.28Å; I82-F124 HydrophobicContact CD1-CE1 3.71Å; I82-F124 HydrophobicContact CD1-CE2 4.06Å; I82-F124 HydrophobicContact CD1-CZ 3.37Å; I82-T264 PolarHBondContact O-OG1 3Å; I82-N266 WeakPolarHBondContact CA-OD1 3.35Å; I82-N266 PolarHBondContact N-OD1 3.22Å; I82-N266 PolarHBondContact O-OD1 3.27Å
83R96.9Very high95.3Very high18 Ų1834.1 Ų34.17%0.06818%0.178CC..EExtended strand (participates in β ladder)trans-108.1110.4-179.5-38176.760.7-140.4-13.4110.8Q103 D105 S261 C263 T264 N266R83-Q103 HydrophobicContact CB-CB 4.1Å; R83-Q103 WeakPolarHBondContact CB-O 3.33Å; R83-Q103 PolarHBondContact O-N 3.36Å; R83-D105 VanDerWaalsContact CD-O 3.3Å; R83-D105 WeakPolarHBondContact CD-O 3.37Å; R83-D105 IonicContact CZ-OD1 2.68Å; R83-D105 IonicContact NH1-OD1 3.58Å; R83-D105 PolarHBondContact NH1-OD1 2.8Å; R83-D105 IonicContact NH1-OD2 3.71Å; R83-D105 PolarHBondContact NH1-OD2 3.37Å; R83-S261 PolarHBondContact NH2-OG 3.26Å; R83-C263 HydrophobicContact CB-CB 4.09Å; R83-T264 WeakPolarHBondContact CA-OG1 3.41Å; R83-T264 WeakPolarHBondContact CB-O 3.37Å; R83-N266 WeakPolarHBondContact CG-OD1 3.26Å
84L96.7Very high95.4Very high11 Ų1130.7 Ų30.76%0.05817%0.167CC..EExtended strand (participates in β ladder)trans-144.5157172.261.1117.3000111.8F69 I79 I82 V86 L100 I101 F124 L128 C263 T264F69-L84 HydrophobicContact CE1-CD1 4.49Å; I79-L84 HydrophobicContact CD1-CD1 3.65Å; I79-L84 HydrophobicContact CD1-CD2 3.32Å; I79-L84 HydrophobicContact CD1-CG 3.47Å; I79-L84 VanDerWaalsContact CD1-CG 3.47Å; I82-L84 HydrophobicContact CD1-CD2 3.27Å; I82-L84 HydrophobicContact CG1-CD2 3.68Å; L84-V86 HydrophobicContact CD1-CG1 3.64Å; L84-V86 HydrophobicContact CG-CG1 4.21Å; L84-L100 HydrophobicContact CD1-CD1 4.35Å; L84-I101 CarbonylContact C-O 3.57Å; L84-I101 WeakPolarHBondContact CA-O 3.38Å; L84-F124 HydrophobicContact CD2-CZ 4.07Å; L84-L128 HydrophobicContact CD1-CD1 4.48Å; L84-C263 CarbonylContact O-C 3.57Å; L84-C263 VanDerWaalsContact O-CA 3.3Å; L84-C263 WeakPolarHBondContact O-CA 3.47Å; L84-T264 PolarHBondContact N-OG1 2.94Å; L84-T264 VanDerWaalsContact N-OG1 3.08Å; L84-T264 PolarHBondContact O-N 2.72Å; L84-T264 PolarHBondContact O-OG1 3.07Å
85S97Very high95.5Very high4 Ų431.5 Ų31.53%0.02817%0.172CC..BIsolated β-bridgetrans-76.4133.9172.465.60000111.5L100 I101 C262S85-L100 WeakPolarHBondContact O-CD1 3.2Å; S85-I101 PolarHBondContact N-O 3.19Å; S85-I101 PolarHBondContact OG-N 2.96Å; S85-C262 VanDerWaalsContact CA-O 3.24Å; S85-C262 WeakPolarHBondContact CA-O 3.5Å; S85-C262 WeakPolarHBondContact CB-O 3.39Å
86V93.5Very high95.6Very high14 Ų1432.7 Ų32.79%0.08518%0.178CC..  trans-121.6-0.8-170.2-630000113.7F69 M70 I79 L84 Y131 V257 T264F69-V86 HydrophobicContact CE1-CG1 4.27Å; M70-V86 HydrophobicContact CE-CG1 4.31Å; M70-V86 HydrophobicContact CE-CG2 4.3Å; M70-V86 HydrophobicContact CG-CB 4.19Å; M70-V86 HydrophobicContact CG-CG2 4.3Å; M70-V86 HydrophobicContact SD-CB 3.53Å; M70-V86 VanDerWaalsContact SD-CB 3.53Å; M70-V86 HydrophobicContact SD-CG1 3.44Å; M70-V86 WeakPolarHBondContact SD-CG1 3.18Å; M70-V86 HydrophobicContact SD-CG2 3.83Å; I79-V86 HydrophobicContact CD1-CG1 4Å; I79-V86 HydrophobicContact CG1-CG1 4.47Å; L84-V86 HydrophobicContact CD1-CG1 3.64Å; L84-V86 HydrophobicContact CG-CG1 4.21Å; V86-Y131 PolarHBondContact O-OH 2.87Å; V86-Y131 VanDerWaalsContact O-OH 3.07Å; V86-V257 HydrophobicContact CG2-CG2 4.12Å; V86-T264 HydrophobicContact CG1-CG2 3.81Å; V86-T264 HydrophobicContact CG2-CG2 4.3Å
87K93.6Very high95.8Very high89 Ų8928.9 Ų28.939%0.38716%0.158SC..  trans-68.4127.5175.9175.6168.2177.5175.80109.9V90 W249 E251K87-V90 HydrophobicContact CB-CG2 4.02Å; K87-V90 HydrophobicContact CD-CG2 3.96Å; K87-V90 HydrophobicContact CG-CG2 3.81Å; K87-W249 HydrophobicContact CB-CZ2 4.19Å; K87-E251 WeakPolarHBondContact CB-OE1 3.35Å; K87-E251 WeakPolarHBondContact CD-OE1 3.35Å; K87-E251 IonicContact NZ-OE1 3.26Å
88P93Very high96.1Very high51 Ų5127.8 Ų27.833%0.33115%0.151SC..THydrogen-bonded Turntrans-69.8144.9175.229.4-35000111.2L66 Y131L66-P88 HydrophobicContact CB-CB 4.38Å; L66-P88 HydrophobicContact CD2-CB 4.28Å; P88-Y131 WeakPolarHBondContact CA-OH 3.49Å; P88-Y131 HydrophobicContact CB-CE2 4.49Å
89M93.3Very high96.2Very high30 Ų3028 Ų2815%0.14815%0.152CC..THydrogen-bonded Turntrans6343.8166.8-59.2-65.2-67.700114.8V91 V98 Q135 T138 Q139M89-V91 HydrophobicContact CE-CG2 4.39Å; M89-V91 PolarHBondContact O-N 2.71Å; M89-V98 HydrophobicContact SD-CG1 4.45Å; M89-Q135 HydrophobicContact SD-CB 4.04Å; M89-Q135 HydrophobicContact SD-CG 4.31Å; M89-T138 HydrophobicContact CE-CG2 3.66Å; M89-T138 HydrophobicContact SD-CG2 4.01Å; M89-Q139 HydrophobicContact CE-CB 3.82Å
90V97Very high96.3Very high8 Ų828.8 Ų28.85%0.04816%0.156CC..  trans-81.193.3167.1-175.70000108.7K87 V98 V99 A240 W249K87-V90 HydrophobicContact CB-CG2 4.02Å; K87-V90 HydrophobicContact CD-CG2 3.96Å; K87-V90 HydrophobicContact CG-CG2 3.81Å; V90-V98 CarbonylContact O-C 3.59Å; V90-V98 WeakPolarHBondContact O-CA 3.24Å; V90-V99 HydrophobicContact CG1-CB 4.33Å; V90-V99 PolarHBondContact O-N 2.82Å; V90-A240 HydrophobicContact CG1-CB 3.92Å; V90-W249 HydrophobicContact CB-CH2 4.23Å; V90-W249 HydrophobicContact CB-CZ2 4.43Å; V90-W249 HydrophobicContact CB-CZ3 4.33Å; V90-W249 HydrophobicContact CG1-CD2 3.92Å; V90-W249 HydrophobicContact CG1-CE3 3.67Å; V90-W249 HydrophobicContact CG1-CH2 4.15Å; V90-W249 HydrophobicContact CG1-CZ2 4.4Å; V90-W249 HydrophobicContact CG1-CZ3 3.78Å; V90-W249 HydrophobicContact CG2-CD2 4.36Å; V90-W249 HydrophobicContact CG2-CH2 3.85Å; V90-W249 HydrophobicContact CG2-CZ2 3.59Å; V90-W249 HydrophobicContact CG2-CZ3 4.34Å
91V98.1Very high96.6Very high28 Ų2826.9 Ų26.917%0.1715%0.147CC..BIsolated β-bridgetrans-87.8121.1-170.4178.30000110.9M89 T93 S97 V98 Q139 A240M89-V91 HydrophobicContact CE-CG2 4.39Å; M89-V91 PolarHBondContact O-N 2.71Å; V91-T93 PolarHBondContact O-N 3.41Å; V91-S97 CarbonylContact C-O 3.53Å; V91-S97 WeakPolarHBondContact CA-O 3.24Å; V91-V98 HydrophobicContact CG2-CG1 4.5Å; V91-Q139 HydrophobicContact CG1-CG 4.34Å; V91-Q139 HydrophobicContact CG2-CG 4.26Å; V91-Q139 VanDerWaalsContact CG2-OE1 3.32Å; V91-A240 WeakPolarHBondContact O-CB 3.29Å
92N98.3Very high96.7Very high0 Ų026.9 Ų26.90%015%0.151CC..  trans-72.8109.4165.2-176.911.6000110.2V94 D95 N96 S97 V99 S235 V236 S237 A240N92-V94 PolarHBondContact O-N 3.26Å; N92-V94 VanDerWaalsContact OD1-CB 3.31Å; N92-V94 WeakPolarHBondContact OD1-CB 3.35Å; N92-V94 WeakPolarHBondContact OD1-CG2 3.36Å; N92-V94 PolarHBondContact OD1-N 2.87Å; N92-V94 VanDerWaalsContact OD1-N 3.12Å; N92-D95 PolarHBondContact ND2-OD1 3.31Å; N92-N96 VanDerWaalsContact O-CA 3.3Å; N92-N96 WeakPolarHBondContact O-CA 3.3Å; N92-N96 PolarHBondContact O-N 3.4Å; N92-S97 PolarHBondContact N-O 3.38Å; N92-V99 HydrophobicContact CB-CG2 3.74Å; N92-S235 PolarHBondContact ND2-O 2.76Å; N92-V236 WeakPolarHBondContact OD1-CA 3.45Å; N92-S237 PolarHBondContact OD1-N 3.31Å; N92-A240 HydrophobicContact CB-CB 4.38Å
93T97.5Very high96.8Very high99 Ų9926.2 Ų26.261%0.60715%0.147SC*.THydrogen-bonded Turntrans-72.9-13.7-179.655.50000113.6V91 S237V91-T93 PolarHBondContact O-N 3.41Å; T93-S237 PolarHBondContact N-OG 2.93Å; T93-S237 VanDerWaalsContact N-OG 3.12Å; T93-S237 WeakPolarHBondContact OG1-CB 3.5Å; T93-S237 PolarHBondContact OG1-OG 2.65Å
94V97.1Very high96.6Very high82 Ų8225.5 Ų25.550%0.49714%0.144SC..THydrogen-bonded Turntrans-65.8-42.3177177.80000111.3N92N92-V94 PolarHBondContact O-N 3.26Å; N92-V94 VanDerWaalsContact OD1-CB 3.31Å; N92-V94 WeakPolarHBondContact OD1-CB 3.35Å; N92-V94 WeakPolarHBondContact OD1-CG2 3.36Å; N92-V94 PolarHBondContact OD1-N 2.87Å; N92-V94 VanDerWaalsContact OD1-N 3.12Å
95D96.7Very high96.4Very high34 Ų3425.4 Ų25.418%0.18214%0.144CC..THydrogen-bonded Turntrans-134.511.7-17377.1-13.4000114.2N92 S97 R190 N191N92-D95 PolarHBondContact ND2-OD1 3.31Å; D95-S97 PolarHBondContact O-N 2.87Å; D95-S97 WeakPolarHBondContact OD1-CB 3.34Å; D95-S97 PolarHBondContact OD1-N 3.37Å; D95-S97 PolarHBondContact OD1-OG 3.26Å; D95-S97 PolarHBondContact OD2-OG 2.79Å; D95-R190 PolarHBondContact O-NH1 2.97Å; D95-R190 WeakPolarHBondContact OD2-CD 3.24Å; D95-N191 PolarHBondContact OD2-ND2 3.05Å
96N98.1Very high96Very high25 Ų2532.9 Ų32.913%0.13418%0.176CC..SBendtrans64.811-179.7-161.353.6000114.9N92 Q139 S143 K145 S147N92-N96 VanDerWaalsContact O-CA 3.3Å; N92-N96 WeakPolarHBondContact O-CA 3.3Å; N92-N96 PolarHBondContact O-N 3.4Å; N96-Q139 PolarHBondContact OD1-NE2 3.31Å; N96-S143 PolarHBondContact ND2-OG 3.33Å; N96-S143 WeakPolarHBondContact OD1-CB 3.44Å; N96-S143 PolarHBondContact OD1-OG 2.98Å; N96-K145 PolarHBondContact ND2-O 2.95Å; N96-S147 WeakPolarHBondContact O-CB 3.41Å; N96-S147 PolarHBondContact O-OG 3.3Å
97S98.4Very high95.9Very high0 Ų032.8 Ų32.80%018%0.175CC..PPolyproline II helixtrans-81162177.364.90000112.7V91 N92 D95 G148 T150V91-S97 CarbonylContact C-O 3.53Å; V91-S97 WeakPolarHBondContact CA-O 3.24Å; N92-S97 PolarHBondContact N-O 3.38Å; D95-S97 PolarHBondContact O-N 2.87Å; D95-S97 WeakPolarHBondContact OD1-CB 3.34Å; D95-S97 PolarHBondContact OD1-N 3.37Å; D95-S97 PolarHBondContact OD1-OG 3.26Å; D95-S97 PolarHBondContact OD2-OG 2.79Å; S97-G148 CarbonylContact C-O 3.58Å; S97-G148 WeakPolarHBondContact CA-O 3.38Å; S97-G148 VanDerWaalsContact CB-O 3.24Å; S97-G148 WeakPolarHBondContact CB-O 3.25Å; S97-T150 WeakPolarHBondContact OG-CB 3.15Å; S97-T150 PolarHBondContact OG-OG1 2.88Å
98V98.3Very high95.8Very high2 Ų232.6 Ų32.61%0.01218%0.179CC..EExtended strand (participates in β ladder)trans-92137.9165.2-620000109.9M89 V90 V91 Q135 V136 Q139 G148 V149 T150M89-V98 HydrophobicContact SD-CG1 4.45Å; V90-V98 CarbonylContact O-C 3.59Å; V90-V98 WeakPolarHBondContact O-CA 3.24Å; V91-V98 HydrophobicContact CG2-CG1 4.5Å; V98-Q135 HydrophobicContact CB-CB 4.47Å; V98-Q135 HydrophobicContact CG1-CB 4.2Å; V98-Q135 HydrophobicContact CG2-CB 4.04Å; V98-V136 HydrophobicContact CG2-CG2 3.99Å; V98-Q139 HydrophobicContact CG1-CB 4.34Å; V98-G148 PolarHBondContact N-O 3.49Å; V98-V149 HydrophobicContact CG2-CG2 3.96Å; V98-V149 CarbonylContact O-C 3.46Å; V98-V149 WeakPolarHBondContact O-CA 3.38Å; V98-T150 PolarHBondContact O-N 3.46Å
99V98.4Very high95.8Very high6 Ų630.9 Ų30.94%0.03617%0.166CC..EExtended strand (participates in β ladder)trans-93.8132-175.3-178.90000110.7V90 N92 I101 T150 I152 V236 A240 W249V90-V99 HydrophobicContact CG1-CB 4.33Å; V90-V99 PolarHBondContact O-N 2.82Å; N92-V99 HydrophobicContact CB-CG2 3.74Å; V99-I101 HydrophobicContact CG1-CD1 3.69Å; V99-T150 WeakPolarHBondContact CA-O 3.47Å; V99-I152 HydrophobicContact CG1-CD1 4.27Å; V99-I152 HydrophobicContact CG1-CG1 4.46Å; V99-V236 HydrophobicContact CG2-CG1 3.9Å; V99-A240 HydrophobicContact CG2-CB 3.87Å; V99-W249 HydrophobicContact CG1-CZ3 4.3Å
100L97.7Very high95.7Very high19 Ų1933.1 Ų33.110%0.09918%0.176CC..EExtended strand (participates in β ladder)trans-119.6132.9168.8176.875.2000109.2L84 S85 F132 V149 T150 V151 I152L84-L100 HydrophobicContact CD1-CD1 4.35Å; S85-L100 WeakPolarHBondContact O-CD1 3.2Å; L100-F132 HydrophobicContact CD1-CE1 3.9Å; L100-F132 HydrophobicContact CD1-CZ 3.87Å; L100-F132 HydrophobicContact CD2-CE1 4.07Å; L100-F132 HydrophobicContact CD2-CE2 3.94Å; L100-F132 HydrophobicContact CD2-CZ 3.32Å; L100-F132 HydrophobicContact CG-CE1 4.41Å; L100-F132 HydrophobicContact CG-CZ 4.1Å; L100-V149 HydrophobicContact CB-CG1 4.34Å; L100-T150 PolarHBondContact N-O 3.15Å; L100-V151 HydrophobicContact CB-CG2 4.44Å; L100-V151 HydrophobicContact CD2-CG1 4.27Å; L100-V151 HydrophobicContact CD2-CG2 4.1Å; L100-V151 CarbonylContact O-C 3.59Å; L100-V151 WeakPolarHBondContact O-CA 3.24Å; L100-I152 PolarHBondContact O-N 3.34Å
101I98.2Very high95.6Very high0 Ų034 Ų340%018%0.184CC..EExtended strand (participates in β ladder)trans-104.9134.8171.5-44.3-60.9000108.7L84 S85 V99 Q103 I152 P242 Y245 W249 C263L84-I101 CarbonylContact C-O 3.57Å; L84-I101 WeakPolarHBondContact CA-O 3.38Å; S85-I101 PolarHBondContact N-O 3.19Å; S85-I101 PolarHBondContact OG-N 2.96Å; V99-I101 HydrophobicContact CG1-CD1 3.69Å; I101-Q103 HydrophobicContact CG2-CG 4.36Å; I101-I152 CarbonylContact C-O 3.56Å; I101-I152 WeakPolarHBondContact CA-O 3.39Å; I101-I152 HydrophobicContact CD1-CB 3.78Å; I101-I152 HydrophobicContact CD1-CD1 3.68Å; I101-I152 HydrophobicContact CD1-CG1 3.98Å; I101-P242 HydrophobicContact CD1-CG 3.76Å; I101-P242 HydrophobicContact CG1-CG 3.65Å; I101-Y245 HydrophobicContact CG2-CE2 3.74Å; I101-W249 HydrophobicContact CD1-CZ3 4.11Å; I101-W249 HydrophobicContact CG1-CH2 4.07Å; I101-W249 HydrophobicContact CG1-CZ3 3.7Å; I101-C263 VanDerWaalsContact CG2-SG 3.51Å
102C97.5Very high95.4Very high26 Ų2632.7 Ų32.718%0.17618%0.176CC..EExtended strand (participates in β ladder)trans-126.9128.5172.1-173.20000109.7I152 Y153 D154C102-I152 PolarHBondContact N-O 2.98Å; C102-Y153 HydrophobicContact CB-CD2 3.64Å; C102-Y153 HydrophobicContact CB-CE2 3.85Å; C102-Y153 HydrophobicContact CB-CG 4.45Å; C102-Y153 WeakPolarHBondContact SG-CE2 3.42Å; C102-D154 PolarHBondContact O-N 2.8Å
103Q96.8Very high95.3Very high5 Ų532.8 Ų32.82%0.02318%0.177CC..EExtended strand (participates in β ladder)trans-123.997.2173.9-57-170.1-77.300108.5R83 I101 D105 D154 Y245 S261R83-Q103 HydrophobicContact CB-CB 4.1Å; R83-Q103 WeakPolarHBondContact CB-O 3.33Å; R83-Q103 PolarHBondContact O-N 3.36Å; I101-Q103 HydrophobicContact CG2-CG 4.36Å; Q103-D105 VanDerWaalsContact CB-OD1 3.26Å; Q103-D105 WeakPolarHBondContact CB-OD1 3.47Å; Q103-D105 PolarHBondContact O-N 3.43Å; Q103-D154 HydrophobicContact CG-CB 3.92Å; Q103-D154 PolarHBondContact NE2-OD2 3.29Å; Q103-Y245 WeakPolarHBondContact CG-OH 3.49Å; Q103-Y245 PolarHBondContact NE2-OH 3.34Å; Q103-S261 PolarHBondContact OE1-OG 2.87Å
104P93.5Very high95.1Very high2 Ų228.8 Ų28.81%0.01315%0.153CC..  trans-75-5-179.136.1-36.5000113.2Y109 Y153 D154 F158P104-Y109 VanDerWaalsContact CA-OH 3.25Å; P104-Y109 WeakPolarHBondContact CA-OH 3.03Å; P104-Y109 HydrophobicContact CB-CE2 4.08Å; P104-Y109 WeakPolarHBondContact CB-OH 3.19Å; P104-Y109 VanDerWaalsContact O-CE2 3.27Å; P104-Y109 WeakPolarHBondContact O-CE2 3.3Å; P104-Y153 HydrophobicContact CB-CE1 4.45Å; P104-Y153 HydrophobicContact CG-CE1 3.7Å; P104-D154 WeakPolarHBondContact CD-O 3.41Å; P104-F158 HydrophobicContact CB-CD2 3.69Å; P104-F158 HydrophobicContact CB-CE2 3.78Å; P104-F158 HydrophobicContact CB-CG 4.28Å; P104-F158 HydrophobicContact CB-CZ 4.4Å; P104-F158 HydrophobicContact CG-CB 4.06Å; P104-F158 HydrophobicContact CG-CD1 4.25Å; P104-F158 HydrophobicContact CG-CD2 3.64Å; P104-F158 HydrophobicContact CG-CE2 4.13Å; P104-F158 HydrophobicContact CG-CG 3.72Å
105D91.5Very high95Very high10 Ų1025.8 Ų25.85%0.05313%0.134CC..THydrogen-bonded Turntrans-63158.8175.375.8-58.8000111.7R83 Q103 T107 E156 D157R83-D105 VanDerWaalsContact CD-O 3.3Å; R83-D105 WeakPolarHBondContact CD-O 3.37Å; R83-D105 IonicContact CZ-OD1 2.68Å; R83-D105 IonicContact NH1-OD1 3.58Å; R83-D105 PolarHBondContact NH1-OD1 2.8Å; R83-D105 IonicContact NH1-OD2 3.71Å; R83-D105 PolarHBondContact NH1-OD2 3.37Å; Q103-D105 VanDerWaalsContact CB-OD1 3.26Å; Q103-D105 WeakPolarHBondContact CB-OD1 3.47Å; Q103-D105 PolarHBondContact O-N 3.43Å; D105-T107 PolarHBondContact O-N 2.91Å; D105-E156 VanDerWaalsContact CB-O 3.29Å; D105-E156 WeakPolarHBondContact CB-O 3.41Å; D105-D157 HydrophobicContact CB-CB 4.37Å
106K89Confident95Very high161 Ų16124.3 Ų24.370%0.713%0.127SC*.THydrogen-bonded Turntrans60.41.6177.3-60.6166.3-170.7166.70115.9N266K106-N266 PolarHBondContact O-ND2 2.87Å
107T91.8Very high94.9Very high11 Ų1123.5 Ų23.57%0.06712%0.122CC..  trans-90.5121.5167.6-62.50000109.7Y81 I82 D105 Y109 L112 N266Y81-T107 WeakPolarHBondContact O-CB 3.26Å; Y81-T107 WeakPolarHBondContact O-CG2 3.46Å; Y81-T107 PolarHBondContact O-OG1 2.76Å; I82-T107 HydrophobicContact CG2-CG2 4.34Å; D105-T107 PolarHBondContact O-N 2.91Å; T107-Y109 HydrophobicContact CG2-CD1 3.49Å; T107-Y109 VanDerWaalsContact CG2-CD1 3.49Å; T107-Y109 HydrophobicContact CG2-CD2 4.1Å; T107-Y109 HydrophobicContact CG2-CE1 3.39Å; T107-Y109 HydrophobicContact CG2-CE2 4.05Å; T107-Y109 HydrophobicContact CG2-CG 3.87Å; T107-Y109 WeakPolarHBondContact O-CD2 3.38Å; T107-Y109 PolarHBondContact O-N 2.85Å; T107-Y109 VanDerWaalsContact O-N 3.1Å; T107-L112 HydrophobicContact CG2-CD2 4.43Å; T107-N266 WeakPolarHBondContact CA-ND2 3.36Å; T107-N266 PolarHBondContact N-ND2 3.33Å; T107-N266 PolarHBondContact OG1-ND2 3.19Å
108D92Very high94.8Very high86 Ų8623.6 Ų23.646%0.4612%0.123SC..  trans-80.188167-173.5-18.9000109.3H110 A111 L112 I269D108-H110 PolarHBondContact O-N 2.64Å; D108-H110 WeakPolarHBondContact OD1-CB 3.45Å; D108-H110 PolarHBondContact OD1-N 3.07Å; D108-H110 VanDerWaalsContact OD1-N 3.09Å; D108-A111 HydrophobicContact CB-CB 3.94Å; D108-A111 VanDerWaalsContact CG-CB 3.48Å; D108-A111 PolarHBondContact O-N 2.94Å; D108-A111 PolarHBondContact OD1-N 2.9Å; D108-L112 WeakPolarHBondContact O-CB 3.21Å; D108-L112 PolarHBondContact O-N 3.3Å; D108-I269 HydrophobicContact CB-CD1 4.19Å; D108-I269 WeakPolarHBondContact O-CD1 3.24Å
109Y92.5Very high94.7Very high14 Ų1425.2 Ų25.26%0.05513%0.129CC..Hα-helixtrans-66.3-22.9-178.9-71.7-65.5000113.7I82 P104 T107 L112 A113 F158 Y163 I170 F174I82-Y109 HydrophobicContact CG2-CE1 4.17Å; P104-Y109 VanDerWaalsContact CA-OH 3.25Å; P104-Y109 WeakPolarHBondContact CA-OH 3.03Å; P104-Y109 HydrophobicContact CB-CE2 4.08Å; P104-Y109 WeakPolarHBondContact CB-OH 3.19Å; P104-Y109 VanDerWaalsContact O-CE2 3.27Å; P104-Y109 WeakPolarHBondContact O-CE2 3.3Å; T107-Y109 HydrophobicContact CG2-CD1 3.49Å; T107-Y109 VanDerWaalsContact CG2-CD1 3.49Å; T107-Y109 HydrophobicContact CG2-CD2 4.1Å; T107-Y109 HydrophobicContact CG2-CE1 3.39Å; T107-Y109 HydrophobicContact CG2-CE2 4.05Å; T107-Y109 HydrophobicContact CG2-CG 3.87Å; T107-Y109 WeakPolarHBondContact O-CD2 3.38Å; T107-Y109 PolarHBondContact O-N 2.85Å; T107-Y109 VanDerWaalsContact O-N 3.1Å; Y109-L112 HydrophobicContact CD1-CD2 4.05Å; Y109-L112 HydrophobicContact CE1-CD2 4.47Å; Y109-A113 PolarHBondContact O-N 2.98Å; Y109-A113 VanDerWaalsContact O-N 3.14Å; Y109-F158 HydrophobicContact CD2-CE2 4.38Å; Y109-F158 AromaticContact CE2-CE2 3.97Å; Y109-F158 HydrophobicContact CE2-CE2 3.97Å; Y109-Y163 WeakPolarHBondContact CB-OH 3.31Å; Y109-Y163 HydrophobicContact CD2-CE1 4.26Å; Y109-Y163 HydrophobicContact CD2-CE2 4.3Å; Y109-Y163 AromaticContact CD2-CZ 3.7Å; Y109-Y163 VanDerWaalsContact CD2-OH 3.3Å; Y109-Y163 WeakPolarHBondContact CD2-OH 3.21Å; Y109-Y163 HydrophobicContact CG-CE1 4.33Å; Y109-I170 WeakPolarHBondContact O-CB 3Å; Y109-F174 AromaticContact CD1-CE2 3.84Å; Y109-F174 HydrophobicContact CD1-CE2 3.84Å; Y109-F174 AromaticContact CD1-CZ 3.43Å; Y109-F174 HydrophobicContact CD1-CZ 3.43Å; Y109-F174 VanDerWaalsContact CD1-CZ 3.43Å; Y109-F174 HydrophobicContact CE1-CE2 4.15Å; Y109-F174 AromaticContact CE1-CZ 3.56Å; Y109-F174 HydrophobicContact CE1-CZ 3.56Å; Y109-F174 HydrophobicContact CG-CE2 4.25Å; Y109-F174 HydrophobicContact CG-CZ 4.28Å
110H91.8Very high94.6Very high78 Ų7827.3 Ų27.336%0.36114%0.139SC..Hα-helixtrans-72.8-43.5173.6-72.7-65.9000111.1D108 L112 A113D108-H110 PolarHBondContact O-N 2.64Å; D108-H110 WeakPolarHBondContact OD1-CB 3.45Å; D108-H110 PolarHBondContact OD1-N 3.07Å; D108-H110 VanDerWaalsContact OD1-N 3.09Å; H110-L112 VanDerWaalsContact C-N 3.34Å; H110-A113 PolarHBondContact O-N 2.91Å
111A93.9Very high94.6Very high27 Ų2726.5 Ų26.522%0.22314%0.135CC..Hα-helixtrans-62.8-42.9171.200000110.9D108 A113 S114 I269D108-A111 HydrophobicContact CB-CB 3.94Å; D108-A111 VanDerWaalsContact CG-CB 3.48Å; D108-A111 PolarHBondContact O-N 2.94Å; D108-A111 PolarHBondContact OD1-N 2.9Å; A111-A113 VanDerWaalsContact C-N 3.3Å; A111-A113 PolarHBondContact O-N 3.09Å; A111-S114 WeakPolarHBondContact O-CB 3.41Å; A111-S114 PolarHBondContact O-N 3.36Å; A111-S114 PolarHBondContact O-OG 3.43Å; A111-I269 HydrophobicContact CB-CB 4.36Å; A111-I269 HydrophobicContact CB-CD1 4.11Å; A111-I269 HydrophobicContact CB-CG2 4.01Å
112L95Very high94.5Very high0 Ų026.6 Ų26.60%014%0.135CC..Hα-helixtrans-55.3-45.7178.5-173.161.4000111.9Y81 I82 T107 D108 Y109 H110 S114 V115 I116 I269Y81-L112 HydrophobicContact CD2-CD1 3.61Å; Y81-L112 HydrophobicContact CE2-CD1 4.48Å; Y81-L112 HydrophobicContact CG-CD1 3.92Å; I82-L112 HydrophobicContact CG2-CD2 4.28Å; T107-L112 HydrophobicContact CG2-CD2 4.43Å; D108-L112 WeakPolarHBondContact O-CB 3.21Å; D108-L112 PolarHBondContact O-N 3.3Å; Y109-L112 HydrophobicContact CD1-CD2 4.05Å; Y109-L112 HydrophobicContact CE1-CD2 4.47Å; H110-L112 VanDerWaalsContact C-N 3.34Å; L112-S114 PolarHBondContact O-N 2.91Å; L112-V115 HydrophobicContact CD1-CG2 4.25Å; L112-V115 WeakPolarHBondContact O-CG2 3.39Å; L112-V115 PolarHBondContact O-N 2.67Å; L112-I116 HydrophobicContact CD1-CD1 3.99Å; L112-I116 HydrophobicContact CD1-CG1 4.29Å; L112-I116 HydrophobicContact CD1-CG2 3.86Å; L112-I116 HydrophobicContact CD2-CD1 4.07Å; L112-I116 HydrophobicContact CG-CD1 3.73Å; L112-I116 HydrophobicContact CG-CG1 4.12Å; L112-I116 WeakPolarHBondContact O-CG1 3.44Å; L112-I116 PolarHBondContact O-N 2.74Å; L112-I116 VanDerWaalsContact O-N 3.09Å; L112-I269 HydrophobicContact CB-CD1 4Å
113A94.7Very high94.4Very high1 Ų125.9 Ų25.91%0.00813%0.129CC..THydrogen-bonded Turntrans-60.7-14.6177.500000115Y109 H110 A111 P169 I170 M173Y109-A113 PolarHBondContact O-N 2.98Å; Y109-A113 VanDerWaalsContact O-N 3.14Å; H110-A113 PolarHBondContact O-N 2.91Å; A111-A113 VanDerWaalsContact C-N 3.3Å; A111-A113 PolarHBondContact O-N 3.09Å; A113-P169 HydrophobicContact CB-CB 3.9Å; A113-I170 HydrophobicContact CB-CB 3.91Å; A113-I170 HydrophobicContact CB-CD1 4.06Å; A113-M173 HydrophobicContact CB-CE 3.32Å
114S94.9Very high94.4Very high15 Ų1525.8 Ų25.811%0.10513%0.129CC..THydrogen-bonded Turntrans-94.5-8.917774.10000114A111 L112A111-S114 WeakPolarHBondContact O-CB 3.41Å; A111-S114 PolarHBondContact O-N 3.36Å; A111-S114 PolarHBondContact O-OG 3.43Å; L112-S114 PolarHBondContact O-N 2.91Å
115V95Very high94.6Very high19 Ų1927.3 Ų27.312%0.11514%0.135CC..THydrogen-bonded Turntrans-120.2-21.6-177.4-56.90000114.5L112 I269 P270L112-V115 HydrophobicContact CD1-CG2 4.25Å; L112-V115 WeakPolarHBondContact O-CG2 3.39Å; L112-V115 PolarHBondContact O-N 2.67Å; V115-I269 HydrophobicContact CG1-CG2 4.1Å; V115-I269 HydrophobicContact CG2-CG2 3.62Å; V115-P270 HydrophobicContact CG1-CB 4.45Å; V115-P270 VanDerWaalsContact CG1-O 3.28Å; V115-P270 WeakPolarHBondContact CG1-O 3.35Å
116I95.5Very high94.8Very high4 Ų426.9 Ų26.92%0.02113%0.132CC..SBendtrans-109.1149.6174.371.3175.6000111.8V78 L112 L121V78-I116 HydrophobicContact CG2-CD1 4.16Å; L112-I116 HydrophobicContact CD1-CD1 3.99Å; L112-I116 HydrophobicContact CD1-CG1 4.29Å; L112-I116 HydrophobicContact CD1-CG2 3.86Å; L112-I116 HydrophobicContact CD2-CD1 4.07Å; L112-I116 HydrophobicContact CG-CD1 3.73Å; L112-I116 HydrophobicContact CG-CG1 4.12Å; L112-I116 WeakPolarHBondContact O-CG1 3.44Å; L112-I116 PolarHBondContact O-N 2.74Å; L112-I116 VanDerWaalsContact O-N 3.09Å; I116-L121 HydrophobicContact CD1-CB 4.02Å; I116-L121 HydrophobicContact CD1-CD1 4.08Å; I116-L121 HydrophobicContact CD1-CD2 4.49Å; I116-L121 HydrophobicContact CD1-CG 4.41Å
117T96.2Very high95.2Very high7 Ų719.2 Ų19.24%0.04310%0.099CC..  trans-86.9158.8172.686.10000112R119 Q120 L121 P347 E348 V349T117-R119 PolarHBondContact O-N 3.07Å; T117-R119 PolarHBondContact OG1-N 3.33Å; T117-Q120 PolarHBondContact O-N 2.96Å; T117-Q120 PolarHBondContact OG1-N 3.28Å; T117-Q120 VanDerWaalsContact OG1-N 3.14Å; T117-L121 PolarHBondContact O-N 3.48Å; T117-L121 VanDerWaalsContact O-N 3.07Å; T117-P347 WeakPolarHBondContact CG2-O 3.36Å; T117-E348 WeakPolarHBondContact CB-OE2 3.21Å; T117-E348 PolarHBondContact OG1-OE2 2.87Å; T117-V349 HydrophobicContact CG2-CG2 4.22Å
118C97.1Very high95.4Very high3 Ų319.3 Ų19.32%0.0210%0.099CC..Hα-helixtrans-60.2-32.9173.3-174.40000111.7S122 M173 I338 V339C118-S122 WeakPolarHBondContact O-CB 3.26Å; C118-S122 PolarHBondContact O-N 3.28Å; C118-S122 PolarHBondContact O-OG 2.92Å; C118-M173 HydrophobicContact CB-CG 3.97Å; C118-M173 HydrophobicContact CB-SD 4.11Å; C118-I338 HydrophobicContact CB-CD1 4.47Å; C118-I338 HydrophobicContact CB-CG2 4.27Å; C118-V339 HydrophobicContact CB-CG2 4.2Å; C118-V339 VanDerWaalsContact CB-O 3.25Å; C118-V339 WeakPolarHBondContact CB-O 3.48Å
119R96.2Very high95.7Very high35 Ų3515.2 Ų15.213%0.1328%0.077CC..Hα-helixtrans-65.7-49174.8-175.3-177.658.275.45.5110.8T117 L121 S122 M123 L336 I338 E348 V349T117-R119 PolarHBondContact O-N 3.07Å; T117-R119 PolarHBondContact OG1-N 3.33Å; R119-L121 VanDerWaalsContact C-N 3.3Å; R119-L121 PolarHBondContact O-N 3.19Å; R119-S122 PolarHBondContact O-N 3.04Å; R119-S122 VanDerWaalsContact O-N 3.12Å; R119-M123 HydrophobicContact CG-CG 4.14Å; R119-M123 WeakPolarHBondContact O-CB 3.4Å; R119-M123 VanDerWaalsContact O-CG 3.24Å; R119-M123 WeakPolarHBondContact O-CG 3.49Å; R119-M123 PolarHBondContact O-N 3.15Å; R119-L336 HydrophobicContact CG-CD1 3.83Å; R119-I338 HydrophobicContact CB-CD1 3.7Å; R119-I338 HydrophobicContact CG-CD1 4.37Å; R119-E348 VanDerWaalsContact CB-OE1 3.32Å; R119-E348 WeakPolarHBondContact CB-OE1 3.25Å; R119-E348 WeakPolarHBondContact CB-OE2 3.5Å; R119-E348 WeakPolarHBondContact CD-OE1 3.3Å; R119-E348 IonicContact CZ-OE1 3.17Å; R119-E348 PolarHBondContact N-OE2 2.85Å; R119-E348 IonicContact NE-OE1 2.78Å; R119-E348 PolarHBondContact NE-OE1 3.47Å; R119-E348 IonicContact NH2-OE1 2.71Å; R119-V349 PolarHBondContact NH2-O 2.81Å
120Q96Very high95.9Very high51 Ų5114.6 Ų14.624%0.2387%0.074CC..Hα-helixtrans-56-46.8178.1-73.2174.3-49.500111.3T117 S122 M123 F124T117-Q120 PolarHBondContact O-N 2.96Å; T117-Q120 PolarHBondContact OG1-N 3.28Å; T117-Q120 VanDerWaalsContact OG1-N 3.14Å; Q120-S122 PolarHBondContact O-N 3.42Å; Q120-M123 PolarHBondContact O-N 3.13Å; Q120-F124 WeakPolarHBondContact O-CB 3.49Å; Q120-F124 PolarHBondContact O-N 3.49Å
121L96.8Very high96.1Very high2 Ų211 Ų111%0.016%0.058CC..Hα-helixtrans-63.8-40177-17361.1000112.8V78 I116 T117 R119 F124 Y125 M173 F174V78-L121 HydrophobicContact CG1-CD1 4.07Å; V78-L121 HydrophobicContact CG2-CD1 4.44Å; I116-L121 HydrophobicContact CD1-CB 4.02Å; I116-L121 HydrophobicContact CD1-CD1 4.08Å; I116-L121 HydrophobicContact CD1-CD2 4.49Å; I116-L121 HydrophobicContact CD1-CG 4.41Å; T117-L121 PolarHBondContact O-N 3.48Å; T117-L121 VanDerWaalsContact O-N 3.07Å; R119-L121 VanDerWaalsContact C-N 3.3Å; R119-L121 PolarHBondContact O-N 3.19Å; L121-F124 HydrophobicContact CD1-CD1 4.31Å; L121-F124 WeakPolarHBondContact O-CB 3.27Å; L121-F124 PolarHBondContact O-N 3.1Å; L121-Y125 HydrophobicContact CD1-CD2 4.1Å; L121-Y125 HydrophobicContact CD1-CE2 3.63Å; L121-Y125 HydrophobicContact CD2-CE2 4.11Å; L121-Y125 HydrophobicContact CG-CD2 3.92Å; L121-Y125 HydrophobicContact CG-CE2 3.62Å; L121-Y125 WeakPolarHBondContact O-CD2 3.5Å; L121-Y125 PolarHBondContact O-N 3.15Å; L121-M173 HydrophobicContact CD2-CB 3.73Å; L121-F174 HydrophobicContact CD1-CE1 4.34Å; L121-F174 HydrophobicContact CD2-CD1 3.73Å; L121-F174 HydrophobicContact CD2-CE1 3.93Å
122S96.8Very high96.3Very high1 Ų110.6 Ų10.61%0.0075%0.051CC..Hα-helixtrans-65.9-39.9177.6-57.70000111.7C118 R119 Q120 Y125 A126C118-S122 WeakPolarHBondContact O-CB 3.26Å; C118-S122 PolarHBondContact O-N 3.28Å; C118-S122 PolarHBondContact O-OG 2.92Å; R119-S122 PolarHBondContact O-N 3.04Å; R119-S122 VanDerWaalsContact O-N 3.12Å; Q120-S122 PolarHBondContact O-N 3.42Å; S122-Y125 PolarHBondContact O-N 2.92Å; S122-A126 WeakPolarHBondContact O-CB 3.26Å; S122-A126 PolarHBondContact O-N 3.02Å
123M96.1Very high96.4Very high11 Ų1111.1 Ų11.15%0.0545%0.054CC..Hα-helixtrans-68.3-38.7175.7-67.6-64.2-67.600111.8I58 N74 R119 Q120 Y125 A126 T127 P334 L336I58-M123 HydrophobicContact CB-CE 4.21Å; I58-M123 HydrophobicContact CG1-CE 4.16Å; I58-M123 HydrophobicContact CG1-SD 4.33Å; I58-M123 HydrophobicContact CG2-CE 3.83Å; N74-M123 HydrophobicContact CB-CB 4.07Å; N74-M123 WeakPolarHBondContact OD1-CB 3.21Å; R119-M123 HydrophobicContact CG-CG 4.14Å; R119-M123 WeakPolarHBondContact O-CB 3.4Å; R119-M123 VanDerWaalsContact O-CG 3.24Å; R119-M123 WeakPolarHBondContact O-CG 3.49Å; R119-M123 PolarHBondContact O-N 3.15Å; Q120-M123 PolarHBondContact O-N 3.13Å; M123-Y125 PolarHBondContact O-N 3.27Å; M123-A126 WeakPolarHBondContact O-CB 3.18Å; M123-A126 PolarHBondContact O-N 3.02Å; M123-T127 PolarHBondContact O-N 2.97Å; M123-T127 PolarHBondContact O-OG1 3.04Å; M123-T127 VanDerWaalsContact O-OG1 3.07Å; M123-P334 HydrophobicContact SD-CG 3.86Å; M123-L336 HydrophobicContact CG-CD1 4.22Å; M123-L336 HydrophobicContact SD-CD1 3.92Å
124F96.8Very high96.5Very high3 Ų312.6 Ų12.61%0.0136%0.06CC..Hα-helixtrans-54.8-52.5170167.4-97.7000110.9N74 V75 V78 I79 I82 L84 Q120 L121 A126 T127 L128N74-F124 WeakPolarHBondContact O-CA 3.28Å; N74-F124 WeakPolarHBondContact O-CB 3.38Å; V75-F124 HydrophobicContact CG1-CE2 4.32Å; V78-F124 HydrophobicContact CB-CB 4.04Å; V78-F124 HydrophobicContact CB-CD1 4.38Å; V78-F124 HydrophobicContact CB-CD2 3.76Å; V78-F124 HydrophobicContact CB-CE2 4.39Å; V78-F124 HydrophobicContact CB-CG 3.78Å; V78-F124 HydrophobicContact CG1-CD1 4.05Å; V78-F124 HydrophobicContact CG1-CD2 4.17Å; V78-F124 HydrophobicContact CG1-CE1 4.38Å; V78-F124 HydrophobicContact CG1-CG 3.96Å; V78-F124 HydrophobicContact CG2-CB 3.79Å; V78-F124 HydrophobicContact CG2-CD2 4.43Å; V78-F124 HydrophobicContact CG2-CG 4.08Å; I79-F124 HydrophobicContact CB-CE2 4.43Å; I79-F124 HydrophobicContact CD1-CE2 4.41Å; I82-F124 HydrophobicContact CD1-CE1 3.71Å; I82-F124 HydrophobicContact CD1-CE2 4.06Å; I82-F124 HydrophobicContact CD1-CZ 3.37Å; L84-F124 HydrophobicContact CD2-CZ 4.07Å; Q120-F124 WeakPolarHBondContact O-CB 3.49Å; Q120-F124 PolarHBondContact O-N 3.49Å; L121-F124 HydrophobicContact CD1-CD1 4.31Å; L121-F124 WeakPolarHBondContact O-CB 3.27Å; L121-F124 PolarHBondContact O-N 3.1Å; F124-A126 VanDerWaalsContact C-N 3.3Å; F124-A126 PolarHBondContact O-N 3.43Å; F124-T127 PolarHBondContact O-N 2.84Å; F124-L128 HydrophobicContact CE1-CD2 4.07Å; F124-L128 HydrophobicContact CZ-CD1 4.47Å; F124-L128 HydrophobicContact CZ-CD2 4.16Å; F124-L128 VanDerWaalsContact O-CB 3.27Å; F124-L128 WeakPolarHBondContact O-CB 3.34Å; F124-L128 PolarHBondContact O-N 3.08Å
125Y96.8Very high96.7Very high35 Ų3512.2 Ų12.214%0.1376%0.057CC..Hα-helixtrans-63.7-36.1178.9-79.4-55000113.1L121 S122 M123 L128 G129 F174 G177 L181L121-Y125 HydrophobicContact CD1-CD2 4.1Å; L121-Y125 HydrophobicContact CD1-CE2 3.63Å; L121-Y125 HydrophobicContact CD2-CE2 4.11Å; L121-Y125 HydrophobicContact CG-CD2 3.92Å; L121-Y125 HydrophobicContact CG-CE2 3.62Å; L121-Y125 WeakPolarHBondContact O-CD2 3.5Å; L121-Y125 PolarHBondContact O-N 3.15Å; S122-Y125 PolarHBondContact O-N 2.92Å; M123-Y125 PolarHBondContact O-N 3.27Å; Y125-L128 HydrophobicContact CD1-CD2 4.28Å; Y125-L128 PolarHBondContact O-N 3.25Å; Y125-G129 PolarHBondContact O-N 3.17Å; Y125-F174 HydrophobicContact CE2-CD1 4.2Å; Y125-F174 VanDerWaalsContact OH-CD1 3.31Å; Y125-F174 WeakPolarHBondContact OH-CD1 3.33Å; Y125-F174 WeakPolarHBondContact OH-CE1 2.92Å; Y125-G177 VanDerWaalsContact CD2-CA 3.42Å; Y125-L181 HydrophobicContact CD1-CD1 3.49Å; Y125-L181 VanDerWaalsContact CD1-CD1 3.49Å; Y125-L181 HydrophobicContact CD1-CG 4.09Å; Y125-L181 HydrophobicContact CE1-CD1 4.02Å; Y125-L181 HydrophobicContact CG-CD1 4.2Å; Y125-L181 HydrophobicContact CG-CG 4.36Å; Y125-L181 VanDerWaalsContact O-CD2 3.24Å; Y125-L181 WeakPolarHBondContact O-CD2 3.35Å
126A96.4Very high96.8Very high0 Ų011.3 Ų11.30%05%0.051CC..Hα-helixtrans-62.1-50.7175.400000112Y54 I58 S122 M123 F124 L128 G129 E130 L180Y54-A126 HydrophobicContact CE1-CB 4.27Å; Y54-A126 WeakPolarHBondContact OH-CB 3.25Å; I58-A126 HydrophobicContact CD1-CB 3.63Å; I58-A126 HydrophobicContact CG1-CB 4.3Å; S122-A126 WeakPolarHBondContact O-CB 3.26Å; S122-A126 PolarHBondContact O-N 3.02Å; M123-A126 WeakPolarHBondContact O-CB 3.18Å; M123-A126 PolarHBondContact O-N 3.02Å; F124-A126 VanDerWaalsContact C-N 3.3Å; F124-A126 PolarHBondContact O-N 3.43Å; A126-L128 VanDerWaalsContact C-N 3.29Å; A126-L128 PolarHBondContact O-N 3.03Å; A126-G129 PolarHBondContact O-N 3.26Å; A126-E130 PolarHBondContact O-N 2.93Å; A126-L180 HydrophobicContact CB-CD2 4.13Å
127T96.8Very high96.9Very high0 Ų012.4 Ų12.40%06%0.057CC..Hα-helixtrans-64.9-35.2177.6-56.40000111.5L65 F69 N74 V75 M123 F124 E130 Y131L65-T127 HydrophobicContact CD1-CG2 4.17Å; L65-T127 HydrophobicContact CD2-CG2 3.83Å; F69-T127 HydrophobicContact CD2-CG2 4.45Å; N74-T127 WeakPolarHBondContact CB-OG1 3.44Å; V75-T127 HydrophobicContact CG2-CG2 3.56Å; M123-T127 PolarHBondContact O-N 2.97Å; M123-T127 PolarHBondContact O-OG1 3.04Å; M123-T127 VanDerWaalsContact O-OG1 3.07Å; F124-T127 PolarHBondContact O-N 2.84Å; T127-E130 PolarHBondContact O-N 3.43Å; T127-Y131 VanDerWaalsContact O-CB 3.28Å; T127-Y131 WeakPolarHBondContact O-CB 3.31Å; T127-Y131 PolarHBondContact O-N 3.45Å
128L96.7Very high96.9Very high13 Ų1313.4 Ų13.47%0.0686%0.063CC..Hα-helixtrans-63.1-42.5173.1-171.971.4000111.7F69 L84 F124 Y125 A126 Y131 F132F69-L128 HydrophobicContact CE1-CD1 4.48Å; F69-L128 HydrophobicContact CE2-CD1 3.93Å; F69-L128 HydrophobicContact CZ-CD1 3.51Å; L84-L128 HydrophobicContact CD1-CD1 4.48Å; F124-L128 HydrophobicContact CE1-CD2 4.07Å; F124-L128 HydrophobicContact CZ-CD1 4.47Å; F124-L128 HydrophobicContact CZ-CD2 4.16Å; F124-L128 VanDerWaalsContact O-CB 3.27Å; F124-L128 WeakPolarHBondContact O-CB 3.34Å; F124-L128 PolarHBondContact O-N 3.08Å; Y125-L128 HydrophobicContact CD1-CD2 4.28Å; Y125-L128 PolarHBondContact O-N 3.25Å; A126-L128 VanDerWaalsContact C-N 3.29Å; A126-L128 PolarHBondContact O-N 3.03Å; L128-Y131 HydrophobicContact CD1-CD1 4.45Å; L128-Y131 WeakPolarHBondContact O-CB 3.46Å; L128-Y131 PolarHBondContact O-N 2.96Å; L128-F132 HydrophobicContact CD1-CE1 3.78Å; L128-F132 HydrophobicContact CD1-CE2 4.08Å; L128-F132 HydrophobicContact CD1-CZ 3.41Å; L128-F132 VanDerWaalsContact CD1-CZ 3.41Å; L128-F132 HydrophobicContact CD2-CE2 3.86Å; L128-F132 HydrophobicContact CD2-CZ 3.83Å; L128-F132 HydrophobicContact CG-CD2 4.29Å; L128-F132 HydrophobicContact CG-CE1 4.13Å; L128-F132 HydrophobicContact CG-CE2 3.52Å; L128-F132 HydrophobicContact CG-CZ 3.4Å; L128-F132 WeakPolarHBondContact O-CD2 3.44Å; L128-F132 VanDerWaalsContact O-CG 3.25Å; L128-F132 WeakPolarHBondContact O-CG 3.41Å; L128-F132 PolarHBondContact O-N 3.43Å
129G96.8Very high97Very high0 Ų014.2 Ų14.20%07%0.066CC..Hα-helixtrans-62-45.6174.700000113Y125 A126 Y131 F132 L133 Y185Y125-G129 PolarHBondContact O-N 3.17Å; A126-G129 PolarHBondContact O-N 3.26Å; G129-Y131 VanDerWaalsContact C-N 3.34Å; G129-Y131 PolarHBondContact O-N 2.81Å; G129-F132 PolarHBondContact O-N 3.35Å; G129-L133 PolarHBondContact O-N 2.97Å; G129-Y185 VanDerWaalsContact C-CE1 3.49Å
130E97.1Very high97.1Very high1 Ų112.9 Ų12.91%0.0056%0.062CC..Hα-helixtrans-62.6-40.1174.1-72.7-66.8122.300112.4Y51 R55 T60 L65 A126 T127 F132 L133 Q134 Y185Y51-E130 WeakPolarHBondContact CE2-OE1 3.25Å; Y51-E130 VanDerWaalsContact CZ-OE1 3.31Å; Y51-E130 PolarHBondContact OH-OE1 3.15Å; R55-E130 WeakPolarHBondContact CD-OE2 3.35Å; R55-E130 IonicContact CZ-OE2 3.24Å; R55-E130 IonicContact NE-OE2 3.42Å; R55-E130 PolarHBondContact NE-OE2 3.38Å; R55-E130 IonicContact NH2-OE2 2.66Å; T60-E130 HydrophobicContact CG2-CB 4.25Å; T60-E130 HydrophobicContact CG2-CG 4.12Å; T60-E130 WeakPolarHBondContact OG1-CG 3.49Å; L65-E130 HydrophobicContact CD1-CB 3.58Å; A126-E130 PolarHBondContact O-N 2.93Å; T127-E130 PolarHBondContact O-N 3.43Å; E130-F132 VanDerWaalsContact C-N 3.35Å; E130-L133 WeakPolarHBondContact O-CB 3.43Å; E130-L133 PolarHBondContact O-N 3.27Å; E130-Q134 WeakPolarHBondContact O-CG 3.3Å; E130-Q134 PolarHBondContact O-N 2.94Å; E130-Y185 WeakPolarHBondContact CG-OH 3.33Å; E130-Y185 WeakPolarHBondContact OE1-CE1 3.29Å; E130-Y185 PolarHBondContact OE1-OH 3.42Å
131Y97.1Very high97.1Very high4 Ų418.4 Ų18.42%0.0169%0.087CC..Hα-helixtrans-61.8-43.2175.4172-116000111.6L65 L66 F69 V86 P88 T127 L128 G129 Q134 Q135L65-Y131 HydrophobicContact CB-CD2 3.99Å; L66-Y131 HydrophobicContact CD2-CD2 4.21Å; L66-Y131 HydrophobicContact CD2-CE2 3.98Å; F69-Y131 HydrophobicContact CB-CD2 3.76Å; F69-Y131 HydrophobicContact CB-CE2 3.82Å; F69-Y131 HydrophobicContact CB-CG 4.26Å; F69-Y131 HydrophobicContact CD1-CD1 4.29Å; F69-Y131 HydrophobicContact CD1-CE1 4.14Å; F69-Y131 AromaticContact CD2-CD1 3.88Å; F69-Y131 HydrophobicContact CD2-CD1 3.88Å; F69-Y131 AromaticContact CD2-CD2 3.91Å; F69-Y131 HydrophobicContact CD2-CD2 3.91Å; F69-Y131 HydrophobicContact CD2-CE1 4.5Å; F69-Y131 AromaticContact CD2-CG 3.53Å; F69-Y131 HydrophobicContact CD2-CG 3.53Å; F69-Y131 HydrophobicContact CE1-CD1 4.35Å; F69-Y131 HydrophobicContact CE1-CE1 4.33Å; F69-Y131 AromaticContact CE2-CD1 3.94Å; F69-Y131 HydrophobicContact CE2-CD1 3.94Å; F69-Y131 AromaticContact CE2-CG 3.96Å; F69-Y131 HydrophobicContact CE2-CG 3.96Å; F69-Y131 HydrophobicContact CG-CD1 4.07Å; F69-Y131 AromaticContact CG-CD2 3.87Å; F69-Y131 HydrophobicContact CG-CD2 3.87Å; F69-Y131 HydrophobicContact CG-CE1 4.25Å; F69-Y131 HydrophobicContact CG-CE2 4.06Å; F69-Y131 AromaticContact CG-CG 3.87Å; F69-Y131 HydrophobicContact CG-CG 3.87Å; F69-Y131 HydrophobicContact CZ-CD1 4.19Å; V86-Y131 PolarHBondContact O-OH 2.87Å; V86-Y131 VanDerWaalsContact O-OH 3.07Å; P88-Y131 WeakPolarHBondContact CA-OH 3.49Å; P88-Y131 HydrophobicContact CB-CE2 4.49Å; T127-Y131 VanDerWaalsContact O-CB 3.28Å; T127-Y131 WeakPolarHBondContact O-CB 3.31Å; T127-Y131 PolarHBondContact O-N 3.45Å; L128-Y131 HydrophobicContact CD1-CD1 4.45Å; L128-Y131 WeakPolarHBondContact O-CB 3.46Å; L128-Y131 PolarHBondContact O-N 2.96Å; G129-Y131 VanDerWaalsContact C-N 3.34Å; G129-Y131 PolarHBondContact O-N 2.81Å; Y131-Q134 PolarHBondContact O-N 3.42Å; Y131-Q135 HydrophobicContact CE2-CG 4.21Å; Y131-Q135 WeakPolarHBondContact O-CG 3.44Å; Y131-Q135 PolarHBondContact O-N 2.78Å
132F97.3Very high97Very high18 Ų1826.6 Ų26.68%0.07912%0.118CC..Hα-helixtrans-65.2-39.7173.8-63.2-23.7000112.5L100 L128 G129 E130 Q134 Q135 V136 V149 L188L100-F132 HydrophobicContact CD1-CE1 3.9Å; L100-F132 HydrophobicContact CD1-CZ 3.87Å; L100-F132 HydrophobicContact CD2-CE1 4.07Å; L100-F132 HydrophobicContact CD2-CE2 3.94Å; L100-F132 HydrophobicContact CD2-CZ 3.32Å; L100-F132 HydrophobicContact CG-CE1 4.41Å; L100-F132 HydrophobicContact CG-CZ 4.1Å; L128-F132 HydrophobicContact CD1-CE1 3.78Å; L128-F132 HydrophobicContact CD1-CE2 4.08Å; L128-F132 HydrophobicContact CD1-CZ 3.41Å; L128-F132 VanDerWaalsContact CD1-CZ 3.41Å; L128-F132 HydrophobicContact CD2-CE2 3.86Å; L128-F132 HydrophobicContact CD2-CZ 3.83Å; L128-F132 HydrophobicContact CG-CD2 4.29Å; L128-F132 HydrophobicContact CG-CE1 4.13Å; L128-F132 HydrophobicContact CG-CE2 3.52Å; L128-F132 HydrophobicContact CG-CZ 3.4Å; L128-F132 WeakPolarHBondContact O-CD2 3.44Å; L128-F132 VanDerWaalsContact O-CG 3.25Å; L128-F132 WeakPolarHBondContact O-CG 3.41Å; L128-F132 PolarHBondContact O-N 3.43Å; G129-F132 PolarHBondContact O-N 3.35Å; E130-F132 VanDerWaalsContact C-N 3.35Å; F132-Q134 PolarHBondContact O-N 3.45Å; F132-Q135 PolarHBondContact O-N 3.47Å; F132-V136 WeakPolarHBondContact O-CB 3.41Å; F132-V136 VanDerWaalsContact O-CG2 3.27Å; F132-V136 WeakPolarHBondContact O-CG2 3.38Å; F132-V136 PolarHBondContact O-N 3.39Å; F132-V149 HydrophobicContact CB-CG2 4.01Å; F132-V149 HydrophobicContact CG-CG2 4.33Å; F132-L188 HydrophobicContact CB-CD1 4.04Å
133L97.3Very high97Very high10 Ų1028.3 Ų28.35%0.05213%0.13CC..Hα-helixtrans-59.1-47.7174.9-179.562.4000110.8L24 Y51 G129 E130 Q135 V136 M137 L188L24-L133 HydrophobicContact CD2-CD2 3.85Å; Y51-L133 WeakPolarHBondContact OH-CD2 3.48Å; G129-L133 PolarHBondContact O-N 2.97Å; E130-L133 WeakPolarHBondContact O-CB 3.43Å; E130-L133 PolarHBondContact O-N 3.27Å; L133-Q135 VanDerWaalsContact C-N 3.35Å; L133-Q135 PolarHBondContact O-N 3.23Å; L133-V136 PolarHBondContact O-N 2.85Å; L133-M137 HydrophobicContact CD1-CG 3.94Å; L133-M137 HydrophobicContact CD1-SD 3.86Å; L133-M137 HydrophobicContact CD2-SD 4.43Å; L133-M137 HydrophobicContact CG-CG 4.28Å; L133-M137 HydrophobicContact CG-SD 3.84Å; L133-M137 WeakPolarHBondContact O-CB 3.5Å; L133-M137 VanDerWaalsContact O-CG 3.23Å; L133-M137 WeakPolarHBondContact O-CG 3.31Å; L133-M137 PolarHBondContact O-N 3.02Å; L133-L188 HydrophobicContact CB-CD1 4.02Å; L133-L188 HydrophobicContact CD1-CD1 4.45Å; L133-L188 HydrophobicContact CD1-CD2 3.95Å
134Q97.3Very high97Very high32 Ų3230.8 Ų30.815%0.1516%0.159CC..Hα-helixtrans-61.6-41.4177.9-71.9-173.915.900112.5V63 L66 E130 Y131 F132 T138V63-Q134 PolarHBondContact O-NE2 2.88Å; L66-Q134 HydrophobicContact CD2-CB 4.07Å; L66-Q134 HydrophobicContact CG-CB 4.22Å; E130-Q134 WeakPolarHBondContact O-CG 3.3Å; E130-Q134 PolarHBondContact O-N 2.94Å; Y131-Q134 PolarHBondContact O-N 3.42Å; F132-Q134 PolarHBondContact O-N 3.45Å; Q134-T138 VanDerWaalsContact O-CB 3.3Å; Q134-T138 WeakPolarHBondContact O-CB 3.31Å; Q134-T138 PolarHBondContact O-N 3.32Å; Q134-T138 PolarHBondContact O-OG1 3.18Å
135Q98Very high96.9Very high7 Ų737.3 Ų37.33%0.03319%0.187CC..Hα-helixtrans-62.3-48.3176.1-74.6-170.186.400111.7L66 M89 V98 Y131 F132 L133 T138 Q139L66-Q135 HydrophobicContact CD2-CB 4.26Å; L66-Q135 HydrophobicContact CD2-CG 3.33Å; M89-Q135 HydrophobicContact SD-CB 4.04Å; M89-Q135 HydrophobicContact SD-CG 4.31Å; V98-Q135 HydrophobicContact CB-CB 4.47Å; V98-Q135 HydrophobicContact CG1-CB 4.2Å; V98-Q135 HydrophobicContact CG2-CB 4.04Å; Y131-Q135 HydrophobicContact CE2-CG 4.21Å; Y131-Q135 WeakPolarHBondContact O-CG 3.44Å; Y131-Q135 PolarHBondContact O-N 2.78Å; F132-Q135 PolarHBondContact O-N 3.47Å; L133-Q135 VanDerWaalsContact C-N 3.35Å; L133-Q135 PolarHBondContact O-N 3.23Å; Q135-T138 PolarHBondContact O-N 3.49Å; Q135-Q139 PolarHBondContact O-N 2.81Å
136V98.1Very high96.9Very high0 Ų038.5 Ų38.50%019%0.194CC..Hα-helixtrans-59.6-52.9178.1167.60000110.1V98 F132 L133 T138 Q139 E140 V149 L188V98-V136 HydrophobicContact CG2-CG2 3.99Å; F132-V136 WeakPolarHBondContact O-CB 3.41Å; F132-V136 VanDerWaalsContact O-CG2 3.27Å; F132-V136 WeakPolarHBondContact O-CG2 3.38Å; F132-V136 PolarHBondContact O-N 3.39Å; L133-V136 PolarHBondContact O-N 2.85Å; V136-T138 VanDerWaalsContact C-N 3.32Å; V136-T138 PolarHBondContact O-N 3.33Å; V136-Q139 CarbonylContact O-C 3.57Å; V136-Q139 WeakPolarHBondContact O-CA 3.4Å; V136-Q139 WeakPolarHBondContact O-CB 3.37Å; V136-Q139 PolarHBondContact O-N 2.89Å; V136-E140 HydrophobicContact CG1-CG 4.36Å; V136-E140 VanDerWaalsContact O-CG 3.31Å; V136-E140 WeakPolarHBondContact O-CG 3.44Å; V136-E140 PolarHBondContact O-N 2.97Å; V136-V149 HydrophobicContact CG2-CG2 3.8Å; V136-L188 HydrophobicContact CB-CD2 4.38Å; V136-L188 HydrophobicContact CG1-CD2 4.15Å; V136-L188 HydrophobicContact CG2-CD2 4.38Å
137M97.1Very high97Very high27 Ų2738.6 Ų38.613%0.13320%0.195CC..Hα-helixtrans-60.2-40.4-178.7-70.5-175.665.300112.9S23 L24 T26 N29 L133 Q139 E140 E141S23-M137 WeakPolarHBondContact O-CE 3.34Å; L24-M137 HydrophobicContact CD2-SD 4.12Å; T26-M137 HydrophobicContact CG2-CE 3.72Å; N29-M137 VanDerWaalsContact ND2-CE 3.33Å; N29-M137 WeakPolarHBondContact ND2-CE 3.38Å; N29-M137 PolarHBondContact ND2-SD 3.3Å; L133-M137 HydrophobicContact CD1-CG 3.94Å; L133-M137 HydrophobicContact CD1-SD 3.86Å; L133-M137 HydrophobicContact CD2-SD 4.43Å; L133-M137 HydrophobicContact CG-CG 4.28Å; L133-M137 HydrophobicContact CG-SD 3.84Å; L133-M137 WeakPolarHBondContact O-CB 3.5Å; L133-M137 VanDerWaalsContact O-CG 3.23Å; L133-M137 WeakPolarHBondContact O-CG 3.31Å; L133-M137 PolarHBondContact O-N 3.02Å; M137-Q139 VanDerWaalsContact C-N 3.26Å; M137-Q139 PolarHBondContact O-N 2.91Å; M137-E140 PolarHBondContact O-N 2.9Å; M137-E141 PolarHBondContact O-N 2.64Å
138T97.3Very high97Very high29 Ų2938.7 Ų38.718%0.17820%0.196CC..Hα-helixtrans-62.3-36.9174.6-57.70000111L66 M89 Q134 Q135 V136 R142L66-T138 HydrophobicContact CD1-CG2 4.37Å; L66-T138 WeakPolarHBondContact CD1-OG1 3.43Å; M89-T138 HydrophobicContact CE-CG2 3.66Å; M89-T138 HydrophobicContact SD-CG2 4.01Å; Q134-T138 VanDerWaalsContact O-CB 3.3Å; Q134-T138 WeakPolarHBondContact O-CB 3.31Å; Q134-T138 PolarHBondContact O-N 3.32Å; Q134-T138 PolarHBondContact O-OG1 3.18Å; Q135-T138 PolarHBondContact O-N 3.49Å; V136-T138 VanDerWaalsContact C-N 3.32Å; V136-T138 PolarHBondContact O-N 3.33Å; T138-R142 WeakPolarHBondContact O-CB 3.28Å; T138-R142 VanDerWaalsContact O-CG 3.24Å; T138-R142 WeakPolarHBondContact O-CG 3.3Å; T138-R142 PolarHBondContact O-N 2.92Å; T138-R142 VanDerWaalsContact O-N 3.15Å
139Q98Very high97.1Very high19 Ų1938.4 Ų38.49%0.08920%0.195CC..Hα-helixtrans-72.3-35.4177.2-17953.318.800112M89 V91 N96 V98 Q135 V136 M137 R142 S143M89-Q139 HydrophobicContact CE-CB 3.82Å; V91-Q139 HydrophobicContact CG1-CG 4.34Å; V91-Q139 HydrophobicContact CG2-CG 4.26Å; V91-Q139 VanDerWaalsContact CG2-OE1 3.32Å; N96-Q139 PolarHBondContact OD1-NE2 3.31Å; V98-Q139 HydrophobicContact CG1-CB 4.34Å; Q135-Q139 PolarHBondContact O-N 2.81Å; V136-Q139 CarbonylContact O-C 3.57Å; V136-Q139 WeakPolarHBondContact O-CA 3.4Å; V136-Q139 WeakPolarHBondContact O-CB 3.37Å; V136-Q139 PolarHBondContact O-N 2.89Å; M137-Q139 VanDerWaalsContact C-N 3.26Å; M137-Q139 PolarHBondContact O-N 2.91Å; Q139-R142 PolarHBondContact O-N 2.91Å; Q139-S143 VanDerWaalsContact O-CB 3.26Å; Q139-S143 WeakPolarHBondContact O-CB 3.27Å; Q139-S143 PolarHBondContact O-N 3.49Å; Q139-S143 PolarHBondContact O-OG 3.3Å
140E97.6Very high97.2Very high7 Ų738.4 Ų38.43%0.03320%0.195CC..Hα-helixtrans-63.8-46.4175.2-66.1-175.1135.700111.7H28 R32 V136 M137 R142 S143 G144 K145 E146 S147H28-E140 VanDerWaalsContact CB-CD 3.5Å; H28-E140 VanDerWaalsContact CB-OE1 3.26Å; H28-E140 WeakPolarHBondContact CB-OE1 3.33Å; H28-E140 WeakPolarHBondContact CB-OE2 3.39Å; H28-E140 IonicContact CD2-OE1 4Å; H28-E140 IonicContact CD2-OE2 3.02Å; H28-E140 IonicContact CG-OE1 2.75Å; H28-E140 IonicContact CG-OE2 3.33Å; H28-E140 IonicContact ND1-OE1 3.08Å; R32-E140 IonicContact CZ-OE1 3.94Å; R32-E140 IonicContact CZ-OE2 3.95Å; R32-E140 IonicContact NH1-OE1 3.28Å; R32-E140 PolarHBondContact NH1-OE1 2.79Å; R32-E140 IonicContact NH1-OE2 3.65Å; R32-E140 PolarHBondContact NH1-OE2 3.39Å; R32-E140 IonicContact NH2-OE1 3.34Å; R32-E140 PolarHBondContact NH2-OE1 2.83Å; R32-E140 IonicContact NH2-OE2 3.92Å; R32-E140 PolarHBondContact NH2-OE2 3.04Å; V136-E140 HydrophobicContact CG1-CG 4.36Å; V136-E140 VanDerWaalsContact O-CG 3.31Å; V136-E140 WeakPolarHBondContact O-CG 3.44Å; V136-E140 PolarHBondContact O-N 2.97Å; M137-E140 PolarHBondContact O-N 2.9Å; E140-R142 VanDerWaalsContact C-N 3.33Å; E140-R142 PolarHBondContact O-N 3.24Å; E140-S143 PolarHBondContact O-N 2.86Å; E140-G144 WeakPolarHBondContact O-CA 3.39Å; E140-G144 PolarHBondContact O-N 3.31Å; E140-K145 WeakPolarHBondContact CG-O 3.4Å; E140-E146 WeakPolarHBondContact OE1-CA 3.39Å; E140-S147 PolarHBondContact OE1-N 3.22Å
141E96Very high97.3Very high167 Ų16739.3 Ų39.378%0.7820%0.2SC*.Hα-helixtrans-58.5-45.1175.5-173.7-176.2-174.100111.4M137M137-E141 PolarHBondContact O-N 2.64Å
142R96.6Very high97.3Very high174 Ų17439.1 Ų39.166%0.65720%0.2SC*.Hα-helixtrans-67.8-37.8179.6-73.6173.9-178.1-171.72.5113.8T138 Q139 E140T138-R142 WeakPolarHBondContact O-CB 3.28Å; T138-R142 VanDerWaalsContact O-CG 3.24Å; T138-R142 WeakPolarHBondContact O-CG 3.3Å; T138-R142 PolarHBondContact O-N 2.92Å; T138-R142 VanDerWaalsContact O-N 3.15Å; Q139-R142 PolarHBondContact O-N 2.91Å; E140-R142 VanDerWaalsContact C-N 3.33Å; E140-R142 PolarHBondContact O-N 3.24Å
143S96.7Very high97.3Very high37 Ų3741 Ų4126%0.25921%0.206SC..Hα-helixtrans-98-18.2-171.163.90000114.2N96 Q139 E140 K145N96-S143 PolarHBondContact ND2-OG 3.33Å; N96-S143 WeakPolarHBondContact OD1-CB 3.44Å; N96-S143 PolarHBondContact OD1-OG 2.98Å; Q139-S143 VanDerWaalsContact O-CB 3.26Å; Q139-S143 WeakPolarHBondContact O-CB 3.27Å; Q139-S143 PolarHBondContact O-N 3.49Å; Q139-S143 PolarHBondContact O-OG 3.3Å; E140-S143 PolarHBondContact O-N 2.86Å; S143-K145 PolarHBondContact O-N 3.36Å; S143-K145 PolarHBondContact OG-N 2.96Å; S143-K145 PolarHBondContact OG-O 3.21Å
144G94.9Very high97.3Very high64 Ų6440.5 Ų40.566%0.6620%0.204SC*.SBendtrans64.418.8-170.400000113.7E140E140-G144 WeakPolarHBondContact O-CA 3.39Å; E140-G144 PolarHBondContact O-N 3.31Å
145K95.9Very high97.2Very high139 Ų13939.1 Ų39.160%0.60420%0.198SC*.SBendtrans-132.9149.3-174.7-65.1177.3-173.9177.40110.6N96 E140 S143 S147N96-K145 PolarHBondContact ND2-O 2.95Å; E140-K145 WeakPolarHBondContact CG-O 3.4Å; S143-K145 PolarHBondContact O-N 3.36Å; S143-K145 PolarHBondContact OG-N 2.96Å; S143-K145 PolarHBondContact OG-O 3.21Å; K145-S147 PolarHBondContact O-N 2.67Å
146E96.1Very high97Very high60 Ų6043.2 Ų43.228%0.2822%0.217SC..  trans-59.8126.9175.5-171.5174-157.700110.8H28 R35 E140 R190H28-E146 PolarHBondContact CE1-N 3.38Å; R35-E146 IonicContact CZ-OE1 3.37Å; R35-E146 IonicContact NH1-OE1 3.04Å; R35-E146 PolarHBondContact NH1-OE1 3.12Å; R35-E146 IonicContact NH2-OE1 3.59Å; R35-E146 PolarHBondContact NH2-OE1 3.49Å; E140-E146 WeakPolarHBondContact OE1-CA 3.39Å; E146-R190 PolarHBondContact O-NH2 3.42Å; E146-R190 VanDerWaalsContact O-NH2 3.08Å
147S97.9Very high96.6Very high3 Ų349.4 Ų49.42%0.02125%0.25CC..  trans-109.8-179.3178.9-173.80000110.8R32 N96 E140 K145R32-S147 PolarHBondContact NH2-O 3.08Å; R32-S147 VanDerWaalsContact NH2-O 3.14Å; N96-S147 WeakPolarHBondContact O-CB 3.41Å; N96-S147 PolarHBondContact O-OG 3.3Å; E140-S147 PolarHBondContact OE1-N 3.22Å; K145-S147 PolarHBondContact O-N 2.67Å
148G98Very high96.3Very high2 Ų249.4 Ų49.42%0.02125%0.249CC..  trans-172.4-165179.700000110.6S97 V98 L188S97-G148 CarbonylContact C-O 3.58Å; S97-G148 WeakPolarHBondContact CA-O 3.38Å; S97-G148 VanDerWaalsContact CB-O 3.24Å; S97-G148 WeakPolarHBondContact CB-O 3.25Å; V98-G148 PolarHBondContact N-O 3.49Å; G148-L188 CarbonylContact C-O 3.59Å; G148-L188 WeakPolarHBondContact CA-O 3.46Å
149V98.4Very high95.7Very high6 Ų656.7 Ų56.74%0.03627%0.273CS..EExtended strand (participates in β ladder)trans-118.6126.9-177.3-1770000109.5V98 L100 F132 V136 V151 L188 R190 N191V98-V149 HydrophobicContact CG2-CG2 3.96Å; V98-V149 CarbonylContact O-C 3.46Å; V98-V149 WeakPolarHBondContact O-CA 3.38Å; L100-V149 HydrophobicContact CB-CG1 4.34Å; F132-V149 HydrophobicContact CB-CG2 4.01Å; F132-V149 HydrophobicContact CG-CG2 4.33Å; V136-V149 HydrophobicContact CG2-CG2 3.8Å; V149-V151 HydrophobicContact CG1-CG2 3.83Å; V149-L188 HydrophobicContact CG2-CB 4.07Å; V149-L188 PolarHBondContact N-O 3.23Å; V149-R190 PolarHBondContact O-N 2.52Å; V149-N191 PolarHBondContact O-N 3.05Å
150T98.5Very high95Very high0 Ų055.9 Ų55.90%027%0.27CS..EExtended strand (participates in β ladder)trans-100.4115166.1-71.90000108.5S97 V98 V99 L100 N191 I193 V236S97-T150 WeakPolarHBondContact OG-CB 3.15Å; S97-T150 PolarHBondContact OG-OG1 2.88Å; V98-T150 PolarHBondContact O-N 3.46Å; V99-T150 WeakPolarHBondContact CA-O 3.47Å; L100-T150 PolarHBondContact N-O 3.15Å; T150-N191 HydrophobicContact CG2-CB 4.06Å; T150-N191 PolarHBondContact OG1-ND2 3.4Å; T150-I193 HydrophobicContact CG2-CD1 3.85Å; T150-I193 HydrophobicContact CG2-CG1 4.45Å; T150-V236 HydrophobicContact CG2-CG2 4.13Å
151V98.3Very high94.1Very high21 Ų2159.5 Ų59.513%0.12729%0.292CS..EExtended strand (participates in β ladder)trans-97.9122.3176.6-177.50000108.7L100 V149 L189 N191 L192 I193L100-V151 HydrophobicContact CB-CG2 4.44Å; L100-V151 HydrophobicContact CD2-CG1 4.27Å; L100-V151 HydrophobicContact CD2-CG2 4.1Å; L100-V151 CarbonylContact O-C 3.59Å; L100-V151 WeakPolarHBondContact O-CA 3.24Å; V149-V151 HydrophobicContact CG1-CG2 3.83Å; V151-L189 HydrophobicContact CG2-CD1 3.93Å; V151-N191 PolarHBondContact N-O 2.91Å; V151-L192 HydrophobicContact CB-CD1 3.92Å; V151-L192 HydrophobicContact CG1-CD1 3.89Å; V151-L192 CarbonylContact O-C 3.49Å; V151-I193 PolarHBondContact O-N 3.25Å
152I98.4Very high93.3Very high0 Ų054.7 Ų54.70%027%0.272CS..EExtended strand (participates in β ladder)trans-97.6114.3165.6-53.7-177.8000107.3V99 L100 I101 C102 I193 V195 L232 V236 L241V99-I152 HydrophobicContact CG1-CD1 4.27Å; V99-I152 HydrophobicContact CG1-CG1 4.46Å; L100-I152 PolarHBondContact O-N 3.34Å; I101-I152 CarbonylContact C-O 3.56Å; I101-I152 WeakPolarHBondContact CA-O 3.39Å; I101-I152 HydrophobicContact CD1-CB 3.78Å; I101-I152 HydrophobicContact CD1-CD1 3.68Å; I101-I152 HydrophobicContact CD1-CG1 3.98Å; C102-I152 PolarHBondContact N-O 2.98Å; I152-I193 CarbonylContact C-O 3.53Å; I152-I193 WeakPolarHBondContact CA-O 3.08Å; I152-V195 HydrophobicContact CG2-CG1 4.14Å; I152-V195 HydrophobicContact CG2-CG2 4.01Å; I152-L232 HydrophobicContact CD1-CD2 4.29Å; I152-V236 HydrophobicContact CD1-CG2 4.19Å; I152-L241 HydrophobicContact CD1-CD1 3.48Å; I152-L241 VanDerWaalsContact CD1-CD1 3.48Å
153Y97.1Very high92.5Very high56 Ų5647.2 Ų47.222%0.2224%0.244CC..EExtended strand (participates in β ladder)trans-109.3106.9-178.8-155.3-85.3000109.1C102 P104 L155 I193 I194 V195 F204C102-Y153 HydrophobicContact CB-CD2 3.64Å; C102-Y153 HydrophobicContact CB-CE2 3.85Å; C102-Y153 HydrophobicContact CB-CG 4.45Å; C102-Y153 WeakPolarHBondContact SG-CE2 3.42Å; P104-Y153 HydrophobicContact CB-CE1 4.45Å; P104-Y153 HydrophobicContact CG-CE1 3.7Å; Y153-L155 HydrophobicContact CD1-CD2 3.49Å; Y153-L155 VanDerWaalsContact CD1-CD2 3.49Å; Y153-L155 HydrophobicContact CD1-CG 4.24Å; Y153-L155 HydrophobicContact CE1-CD2 3.48Å; Y153-L155 VanDerWaalsContact CE1-CD2 3.48Å; Y153-I193 PolarHBondContact N-O 2.89Å; Y153-I194 HydrophobicContact CG-CD1 4.46Å; Y153-I194 WeakPolarHBondContact O-CA 3.42Å; Y153-V195 PolarHBondContact O-N 3.45Å; Y153-F204 HydrophobicContact CD1-CE2 4.35Å; Y153-F204 HydrophobicContact CE1-CE2 4.36Å
154D96.8Very high91.9Very high1 Ų149.3 Ų49.31%0.00525%0.252CS..EExtended strand (participates in β ladder)trans-85.8123.9-177.7-170.5-9.2000109.8C102 Q103 P104 E156 V195 N196 Y245C102-D154 PolarHBondContact O-N 2.8Å; Q103-D154 HydrophobicContact CG-CB 3.92Å; Q103-D154 PolarHBondContact NE2-OD2 3.29Å; P104-D154 WeakPolarHBondContact CD-O 3.41Å; D154-E156 VanDerWaalsContact OD1-CB 3.26Å; D154-E156 WeakPolarHBondContact OD1-CB 3.24Å; D154-E156 PolarHBondContact OD1-N 3.01Å; D154-V195 HydrophobicContact CB-CG2 3.95Å; D154-N196 WeakPolarHBondContact OD1-CB 3.43Å; D154-N196 PolarHBondContact OD1-ND2 3.49Å; D154-Y245 HydrophobicContact CB-CE1 4.46Å; D154-Y245 WeakPolarHBondContact OD2-CE1 3.32Å; D154-Y245 PolarHBondContact OD2-OH 3.47Å
155L94.9Very high91.5Very high3 Ų350.3 Ų50.32%0.01624%0.242CC..  trans-102.88.5179.6-65.5-175.1000113.2Y153 D157 F158 I194 V195 N196 V200 F204Y153-L155 HydrophobicContact CD1-CD2 3.49Å; Y153-L155 VanDerWaalsContact CD1-CD2 3.49Å; Y153-L155 HydrophobicContact CD1-CG 4.24Å; Y153-L155 HydrophobicContact CE1-CD2 3.48Å; Y153-L155 VanDerWaalsContact CE1-CD2 3.48Å; L155-D157 PolarHBondContact O-N 3.08Å; L155-F158 HydrophobicContact CD2-CB 4.41Å; L155-F158 HydrophobicContact CD2-CD1 3.81Å; L155-F158 HydrophobicContact CD2-CG 4.43Å; L155-F158 WeakPolarHBondContact O-CB 3.23Å; L155-F158 PolarHBondContact O-N 3.42Å; L155-F158 VanDerWaalsContact O-N 3.07Å; L155-I194 HydrophobicContact CD1-CG2 3.42Å; L155-I194 VanDerWaalsContact CD1-CG2 3.42Å; L155-I194 HydrophobicContact CG-CG2 3.85Å; L155-V195 PolarHBondContact N-O 3.03Å; L155-N196 CarbonylContact C-O 3.53Å; L155-V200 HydrophobicContact CB-CG2 4.4Å; L155-V200 HydrophobicContact CD1-CG2 4.43Å; L155-F204 HydrophobicContact CD1-CB 3.98Å; L155-F204 HydrophobicContact CD1-CD1 4.45Å; L155-F204 HydrophobicContact CD1-CD2 3.87Å; L155-F204 HydrophobicContact CD1-CG 3.83Å; L155-F204 HydrophobicContact CD2-CD2 4.11Å; L155-F204 HydrophobicContact CD2-CE2 4.4Å
156E93.7Very high90.8Very high92 Ų9246 Ų4643%0.4323%0.229SC..THydrogen-bonded Turntrans-53.3129176-170.1167.4-143.200110.3D105 D154 F158 N196D105-E156 VanDerWaalsContact CB-O 3.29Å; D105-E156 WeakPolarHBondContact CB-O 3.41Å; D154-E156 VanDerWaalsContact OD1-CB 3.26Å; D154-E156 WeakPolarHBondContact OD1-CB 3.24Å; D154-E156 PolarHBondContact OD1-N 3.01Å; E156-F158 PolarHBondContact O-N 3.16Å; E156-N196 HydrophobicContact CB-CB 3.72Å; E156-N196 PolarHBondContact N-O 3.29Å
157D90.3Very high90.3Very high130 Ų13051.6 Ų51.670%0.69525%0.248SC*.THydrogen-bonded Turntrans53.313.2-178.1-63.1-34.9000116.4D105 L155 R159D105-D157 HydrophobicContact CB-CB 4.37Å; L155-D157 PolarHBondContact O-N 3.08Å; D157-R159 PolarHBondContact O-N 2.8Å
158F90.2Very high90Very high28 Ų2851.8 Ų51.812%0.12325%0.25CC..  trans-73.5114.6178.3-177-128.2000110.7P104 Y109 L155 E156 I160 Y163P104-F158 HydrophobicContact CB-CD2 3.69Å; P104-F158 HydrophobicContact CB-CE2 3.78Å; P104-F158 HydrophobicContact CB-CG 4.28Å; P104-F158 HydrophobicContact CB-CZ 4.4Å; P104-F158 HydrophobicContact CG-CB 4.06Å; P104-F158 HydrophobicContact CG-CD1 4.25Å; P104-F158 HydrophobicContact CG-CD2 3.64Å; P104-F158 HydrophobicContact CG-CE2 4.13Å; P104-F158 HydrophobicContact CG-CG 3.72Å; Y109-F158 HydrophobicContact CD2-CE2 4.38Å; Y109-F158 AromaticContact CE2-CE2 3.97Å; Y109-F158 HydrophobicContact CE2-CE2 3.97Å; L155-F158 HydrophobicContact CD2-CB 4.41Å; L155-F158 HydrophobicContact CD2-CD1 3.81Å; L155-F158 HydrophobicContact CD2-CG 4.43Å; L155-F158 WeakPolarHBondContact O-CB 3.23Å; L155-F158 PolarHBondContact O-N 3.42Å; L155-F158 VanDerWaalsContact O-N 3.07Å; E156-F158 PolarHBondContact O-N 3.16Å; F158-I160 HydrophobicContact CD1-CB 3.63Å; F158-I160 HydrophobicContact CD1-CD1 4.07Å; F158-I160 HydrophobicContact CD1-CG1 3.99Å; F158-I160 HydrophobicContact CE1-CB 3.63Å; F158-I160 HydrophobicContact CE1-CD1 3.75Å; F158-I160 HydrophobicContact CE1-CG1 3.51Å; F158-I160 HydrophobicContact CZ-CG1 4.41Å; F158-I160 PolarHBondContact O-N 3.5Å; F158-Y163 HydrophobicContact CD2-CE2 4.41Å; F158-Y163 HydrophobicContact CE1-CD2 4.37Å; F158-Y163 AromaticContact CE2-CD2 3.9Å; F158-Y163 HydrophobicContact CE2-CD2 3.9Å; F158-Y163 AromaticContact CE2-CE2 3.44Å; F158-Y163 HydrophobicContact CE2-CE2 3.44Å; F158-Y163 VanDerWaalsContact CE2-CE2 3.44Å; F158-Y163 AromaticContact CZ-CD2 3.53Å; F158-Y163 HydrophobicContact CZ-CD2 3.53Å; F158-Y163 AromaticContact CZ-CE2 3.61Å; F158-Y163 HydrophobicContact CZ-CE2 3.61Å
159R86.1Confident89.9Confident181 Ų18153.1 Ų53.168%0.68326%0.258SS*.  trans-75.462.7177.1-70.2-173.8-98.3168.7-6.4112D157 T161 D162 Y163D157-R159 PolarHBondContact O-N 2.8Å; R159-T161 PolarHBondContact O-N 3.14Å; R159-T161 VanDerWaalsContact O-N 3.1Å; R159-D162 WeakPolarHBondContact O-CB 3.17Å; R159-D162 PolarHBondContact O-N 2.91Å; R159-Y163 WeakPolarHBondContact O-CD2 3.49Å; R159-Y163 VanDerWaalsContact O-CE2 3.25Å; R159-Y163 WeakPolarHBondContact O-CE2 3.47Å
160I82Confident89.6Confident3 Ų352.8 Ų52.82%0.01526%0.256CS..G310 helixtrans-60.4-28.2-172.2-162.5160000113.6F158 D162 Y163 V200 V203 F204 L207F158-I160 HydrophobicContact CD1-CB 3.63Å; F158-I160 HydrophobicContact CD1-CD1 4.07Å; F158-I160 HydrophobicContact CD1-CG1 3.99Å; F158-I160 HydrophobicContact CE1-CB 3.63Å; F158-I160 HydrophobicContact CE1-CD1 3.75Å; F158-I160 HydrophobicContact CE1-CG1 3.51Å; F158-I160 HydrophobicContact CZ-CG1 4.41Å; F158-I160 PolarHBondContact O-N 3.5Å; I160-D162 PolarHBondContact O-N 2.83Å; I160-Y163 WeakPolarHBondContact O-CB 3.23Å; I160-Y163 PolarHBondContact O-N 3.19Å; I160-V200 HydrophobicContact CG2-CB 3.69Å; I160-V200 HydrophobicContact CG2-CG1 3.85Å; I160-V203 HydrophobicContact CD1-CG1 4.4Å; I160-V203 HydrophobicContact CG1-CG1 4.14Å; I160-V203 HydrophobicContact CG2-CB 3.96Å; I160-V203 HydrophobicContact CG2-CG1 3.71Å; I160-F204 VanDerWaalsContact CD1-CA 3.42Å; I160-F204 HydrophobicContact CD1-CB 3.61Å; I160-F204 HydrophobicContact CD1-CD2 3.95Å; I160-F204 HydrophobicContact CD1-CG 4.29Å; I160-L207 HydrophobicContact CD1-CD1 3.96Å; I160-L207 HydrophobicContact CG1-CD1 3.68Å
161T79.6Confident89.3Confident83 Ų8353.1 Ų53.151%0.50926%0.258SS..G310 helixtrans-63.2-28.1-177.647.60000112.7R159 Y163 L164R159-T161 PolarHBondContact O-N 3.14Å; R159-T161 VanDerWaalsContact O-N 3.1Å; T161-Y163 PolarHBondContact O-N 2.87Å; T161-L164 HydrophobicContact CG2-CD1 4.42Å; T161-L164 WeakPolarHBondContact O-CB 3.3Å; T161-L164 PolarHBondContact O-N 3.39Å
162D78.8Confident89.1Confident66 Ų6654.8 Ų54.835%0.35326%0.264SS..G310 helixtrans-65.6-19.3177.9-61.8-6.5000111.1R159 I160R159-D162 WeakPolarHBondContact O-CB 3.17Å; R159-D162 PolarHBondContact O-N 2.91Å; I160-D162 PolarHBondContact O-N 2.83Å
163Y80.9Confident88.9Confident16 Ų1655 Ų556%0.06327%0.265CS..G310 helixtrans-103.14.9-176.6-53.4-61.5000114.1Y109 F158 R159 I160 T161 N165 I170 I171Y109-Y163 WeakPolarHBondContact CB-OH 3.31Å; Y109-Y163 HydrophobicContact CD2-CE1 4.26Å; Y109-Y163 HydrophobicContact CD2-CE2 4.3Å; Y109-Y163 AromaticContact CD2-CZ 3.7Å; Y109-Y163 VanDerWaalsContact CD2-OH 3.3Å; Y109-Y163 WeakPolarHBondContact CD2-OH 3.21Å; Y109-Y163 HydrophobicContact CG-CE1 4.33Å; F158-Y163 HydrophobicContact CD2-CE2 4.41Å; F158-Y163 HydrophobicContact CE1-CD2 4.37Å; F158-Y163 AromaticContact CE2-CD2 3.9Å; F158-Y163 HydrophobicContact CE2-CD2 3.9Å; F158-Y163 AromaticContact CE2-CE2 3.44Å; F158-Y163 HydrophobicContact CE2-CE2 3.44Å; F158-Y163 VanDerWaalsContact CE2-CE2 3.44Å; F158-Y163 AromaticContact CZ-CD2 3.53Å; F158-Y163 HydrophobicContact CZ-CD2 3.53Å; F158-Y163 AromaticContact CZ-CE2 3.61Å; F158-Y163 HydrophobicContact CZ-CE2 3.61Å; R159-Y163 WeakPolarHBondContact O-CD2 3.49Å; R159-Y163 VanDerWaalsContact O-CE2 3.25Å; R159-Y163 WeakPolarHBondContact O-CE2 3.47Å; I160-Y163 WeakPolarHBondContact O-CB 3.23Å; I160-Y163 PolarHBondContact O-N 3.19Å; T161-Y163 PolarHBondContact O-N 2.87Å; Y163-N165 PolarHBondContact O-N 2.99Å; Y163-I170 HydrophobicContact CD1-CG2 3.87Å; Y163-I170 HydrophobicContact CE1-CG2 3.9Å; Y163-I171 HydrophobicContact CD1-CD1 4.25Å; Y163-I171 HydrophobicContact CD1-CG1 4.26Å; Y163-I171 HydrophobicContact CG-CD1 4.25Å
164L83.1Confident88.8Confident81 Ų8153.7 Ų53.742%0.42426%0.26SS..  trans-66.1-24.8177.1-80.2175.5000113.2T161 P166 V203 L207T161-L164 HydrophobicContact CG2-CD1 4.42Å; T161-L164 WeakPolarHBondContact O-CB 3.3Å; T161-L164 PolarHBondContact O-N 3.39Å; L164-P166 WeakPolarHBondContact O-CD 3.22Å; L164-V203 HydrophobicContact CD1-CG1 4.31Å; L164-V203 HydrophobicContact CD2-CG1 3.57Å; L164-V203 HydrophobicContact CG-CG1 4.04Å; L164-L207 HydrophobicContact CD2-CD2 4.3Å; L164-L207 HydrophobicContact CD2-CG 4.43Å
165N86.5Confident88.6Confident86 Ų8656.6 Ų56.646%0.4627%0.271SS..  trans-73.3109.9176.3-179.60.9000110.2Y163 Y167 S168Y163-N165 PolarHBondContact O-N 2.99Å; N165-Y167 PolarHBondContact O-N 2.81Å; N165-Y167 VanDerWaalsContact O-N 3.09Å; N165-Y167 WeakPolarHBondContact OD1-CB 3.3Å; N165-Y167 PolarHBondContact OD1-N 3.47Å; N165-S168 PolarHBondContact O-N 3.01Å; N165-S168 VanDerWaalsContact O-N 3.07Å; N165-S168 PolarHBondContact O-OG 3.14Å
166P82.2Confident88.6Confident49 Ų4957 Ų5732%0.31827%0.274SS..THydrogen-bonded Turntrans-65-16.8-179.529.4-36.7000113.2L164 R175L164-P166 WeakPolarHBondContact O-CD 3.22Å; P166-R175 VanDerWaalsContact CA-NH1 3.3Å; P166-R175 VanDerWaalsContact CB-NH2 3.32Å; P166-R175 PolarHBondContact O-NH1 3.03Å
167Y85.2Confident88.7Confident177 Ų17752.7 Ų52.769%0.69425%0.253SS*.THydrogen-bonded Turntrans-97.3-0179.5-56.7-73.5000113N165 Q172N165-Y167 PolarHBondContact O-N 2.81Å; N165-Y167 VanDerWaalsContact O-N 3.09Å; N165-Y167 WeakPolarHBondContact OD1-CB 3.3Å; N165-Y167 PolarHBondContact OD1-N 3.47Å; Y167-Q172 PolarHBondContact O-NE2 3.43Å
168S91.8Very high89Confident7 Ų748.4 Ų48.45%0.04923%0.23CC..SBendtrans-61.9145176.579.80000110.4N165 I170 I171 Q172N165-S168 PolarHBondContact O-N 3.01Å; N165-S168 VanDerWaalsContact O-N 3.07Å; N165-S168 PolarHBondContact O-OG 3.14Å; S168-I170 PolarHBondContact O-N 3.33Å; S168-I171 PolarHBondContact O-N 3Å; S168-I171 VanDerWaalsContact O-N 3.14Å; S168-I171 VanDerWaalsContact OG-CB 3.31Å; S168-I171 WeakPolarHBondContact OG-CB 3.22Å; S168-I171 WeakPolarHBondContact OG-CG1 3.12Å; S168-Q172 PolarHBondContact O-N 3.42Å; S168-Q172 VanDerWaalsContact O-N 3.12Å
169P94.4Very high89.2Confident29 Ų2949.6 Ų49.619%0.18825%0.245CC..Hα-helixtrans-51.4-50.7-174.8-32.437.4000114.1A113 I171 Q172 M173 P341 L342A113-P169 HydrophobicContact CB-CB 3.9Å; P169-I171 VanDerWaalsContact C-N 3.34Å; P169-I171 PolarHBondContact O-N 2.83Å; P169-Q172 PolarHBondContact O-N 3.38Å; P169-M173 HydrophobicContact CB-CE 4.34Å; P169-M173 WeakPolarHBondContact O-CE 3.2Å; P169-M173 PolarHBondContact O-N 3.14Å; P169-P341 HydrophobicContact CB-CB 3.82Å; P169-P341 HydrophobicContact CB-CG 3.75Å; P169-P341 HydrophobicContact CG-CB 4.26Å; P169-L342 HydrophobicContact CB-CD1 3.98Å; P169-L342 HydrophobicContact CB-CG 3.88Å; P169-L342 HydrophobicContact CG-CD1 3.97Å; P169-L342 HydrophobicContact CG-CD2 3.79Å; P169-L342 HydrophobicContact CG-CG 3.68Å
170I92.8Very high89.6Confident0 Ų041.8 Ų41.80%022%0.216CC..Hα-helixtrans-66.2-36.5-178.4-164.268000112.3Y109 A113 Y163 S168 Q172 M173 F174Y109-I170 WeakPolarHBondContact O-CB 3Å; A113-I170 HydrophobicContact CB-CB 3.91Å; A113-I170 HydrophobicContact CB-CD1 4.06Å; Y163-I170 HydrophobicContact CD1-CG2 3.87Å; Y163-I170 HydrophobicContact CE1-CG2 3.9Å; S168-I170 PolarHBondContact O-N 3.33Å; I170-Q172 VanDerWaalsContact C-N 3.33Å; I170-Q172 PolarHBondContact O-N 3.12Å; I170-M173 HydrophobicContact CD1-CE 4.36Å; I170-M173 PolarHBondContact O-N 3.31Å; I170-M173 VanDerWaalsContact O-N 3.14Å; I170-F174 HydrophobicContact CD1-CE1 4.05Å; I170-F174 HydrophobicContact CD1-CE2 4.17Å; I170-F174 HydrophobicContact CD1-CZ 3.86Å; I170-F174 HydrophobicContact CG1-CD1 4.46Å; I170-F174 HydrophobicContact CG1-CD2 3.73Å; I170-F174 HydrophobicContact CG1-CE1 4.13Å; I170-F174 HydrophobicContact CG1-CE2 3.36Å; I170-F174 HydrophobicContact CG1-CG 4.26Å; I170-F174 HydrophobicContact CG1-CZ 3.57Å; I170-F174 PolarHBondContact O-N 3.1Å
171I92.2Very high90.3Very high7 Ų743.3 Ų43.34%0.03623%0.225CC..Hα-helixtrans-67.4-36.4-179.2-72.7-66.7000111.8Y163 S168 P169 M173 F174 R175 F211Y163-I171 HydrophobicContact CD1-CD1 4.25Å; Y163-I171 HydrophobicContact CD1-CG1 4.26Å; Y163-I171 HydrophobicContact CG-CD1 4.25Å; S168-I171 PolarHBondContact O-N 3Å; S168-I171 VanDerWaalsContact O-N 3.14Å; S168-I171 VanDerWaalsContact OG-CB 3.31Å; S168-I171 WeakPolarHBondContact OG-CB 3.22Å; S168-I171 WeakPolarHBondContact OG-CG1 3.12Å; P169-I171 VanDerWaalsContact C-N 3.34Å; P169-I171 PolarHBondContact O-N 2.83Å; I171-M173 VanDerWaalsContact C-N 3.3Å; I171-M173 PolarHBondContact O-N 3.14Å; I171-F174 HydrophobicContact CD1-CD2 4.49Å; I171-R175 WeakPolarHBondContact O-CB 3.38Å; I171-R175 WeakPolarHBondContact O-CG 3.3Å; I171-R175 PolarHBondContact O-N 2.86Å; I171-F211 HydrophobicContact CD1-CE1 4.47Å; I171-F211 HydrophobicContact CD1-CZ 3.89Å; I171-F211 HydrophobicContact CG2-CE1 4.44Å; I171-F211 HydrophobicContact CG2-CZ 3.76Å
172Q94Very high91Very high56 Ų5640.1 Ų40.126%0.26220%0.204SC..Hα-helixtrans-61.5-41.6173.2-65.6-174.760.300111.5Y167 S168 P169 I170 I176 V339Y167-Q172 PolarHBondContact O-NE2 3.43Å; S168-Q172 PolarHBondContact O-N 3.42Å; S168-Q172 VanDerWaalsContact O-N 3.12Å; P169-Q172 PolarHBondContact O-N 3.38Å; I170-Q172 VanDerWaalsContact C-N 3.33Å; I170-Q172 PolarHBondContact O-N 3.12Å; Q172-I176 PolarHBondContact O-N 3.31Å; Q172-V339 HydrophobicContact CB-CG2 4.22Å
173M95.5Very high91.7Very high3 Ų340.7 Ų40.72%0.01521%0.205CC..Hα-helixtrans-71.2-44.4179.2-64.2-173-91.200112.2A113 C118 L121 P169 I170 I171 R175 I176 G177 V339 P341A113-M173 HydrophobicContact CB-CE 3.32Å; C118-M173 HydrophobicContact CB-CG 3.97Å; C118-M173 HydrophobicContact CB-SD 4.11Å; L121-M173 HydrophobicContact CD2-CB 3.73Å; P169-M173 HydrophobicContact CB-CE 4.34Å; P169-M173 WeakPolarHBondContact O-CE 3.2Å; P169-M173 PolarHBondContact O-N 3.14Å; I170-M173 HydrophobicContact CD1-CE 4.36Å; I170-M173 PolarHBondContact O-N 3.31Å; I170-M173 VanDerWaalsContact O-N 3.14Å; I171-M173 VanDerWaalsContact C-N 3.3Å; I171-M173 PolarHBondContact O-N 3.14Å; M173-R175 VanDerWaalsContact C-N 3.33Å; M173-R175 PolarHBondContact O-N 2.91Å; M173-I176 WeakPolarHBondContact O-CB 3.39Å; M173-I176 PolarHBondContact O-N 3.09Å; M173-I176 VanDerWaalsContact O-N 3.15Å; M173-G177 PolarHBondContact O-N 3.36Å; M173-V339 HydrophobicContact CG-CG2 4.09Å; M173-P341 HydrophobicContact CE-CG 3.91Å; M173-P341 HydrophobicContact CG-CG 4.33Å; M173-P341 HydrophobicContact SD-CG 4.38Å
174F93.5Very high92.4Very high29 Ų2940.8 Ų40.813%0.12721%0.205CC..Hα-helixtrans-61-38.8175.3-75.4-28.7000113Y109 L121 Y125 I170 I171 I176 G177 I178Y109-F174 AromaticContact CD1-CE2 3.84Å; Y109-F174 HydrophobicContact CD1-CE2 3.84Å; Y109-F174 AromaticContact CD1-CZ 3.43Å; Y109-F174 HydrophobicContact CD1-CZ 3.43Å; Y109-F174 VanDerWaalsContact CD1-CZ 3.43Å; Y109-F174 HydrophobicContact CE1-CE2 4.15Å; Y109-F174 AromaticContact CE1-CZ 3.56Å; Y109-F174 HydrophobicContact CE1-CZ 3.56Å; Y109-F174 HydrophobicContact CG-CE2 4.25Å; Y109-F174 HydrophobicContact CG-CZ 4.28Å; L121-F174 HydrophobicContact CD1-CE1 4.34Å; L121-F174 HydrophobicContact CD2-CD1 3.73Å; L121-F174 HydrophobicContact CD2-CE1 3.93Å; Y125-F174 HydrophobicContact CE2-CD1 4.2Å; Y125-F174 VanDerWaalsContact OH-CD1 3.31Å; Y125-F174 WeakPolarHBondContact OH-CD1 3.33Å; Y125-F174 WeakPolarHBondContact OH-CE1 2.92Å; I170-F174 HydrophobicContact CD1-CE1 4.05Å; I170-F174 HydrophobicContact CD1-CE2 4.17Å; I170-F174 HydrophobicContact CD1-CZ 3.86Å; I170-F174 HydrophobicContact CG1-CD1 4.46Å; I170-F174 HydrophobicContact CG1-CD2 3.73Å; I170-F174 HydrophobicContact CG1-CE1 4.13Å; I170-F174 HydrophobicContact CG1-CE2 3.36Å; I170-F174 HydrophobicContact CG1-CG 4.26Å; I170-F174 HydrophobicContact CG1-CZ 3.57Å; I170-F174 PolarHBondContact O-N 3.1Å; I171-F174 HydrophobicContact CD1-CD2 4.49Å; F174-I176 VanDerWaalsContact C-N 3.26Å; F174-I176 PolarHBondContact O-N 2.9Å; F174-G177 PolarHBondContact O-N 2.92Å; F174-I178 HydrophobicContact CB-CD1 4.32Å; F174-I178 VanDerWaalsContact O-CB 3.26Å; F174-I178 WeakPolarHBondContact O-CB 3.48Å; F174-I178 VanDerWaalsContact O-CG1 3.27Å; F174-I178 WeakPolarHBondContact O-CG1 3.27Å; F174-I178 PolarHBondContact O-N 3.36Å
175R93.3Very high92.9Very high62 Ų6237.6 Ų37.623%0.23419%0.187CC..Hα-helixtrans-59.1-39.7175.2-79.8-173.5-178.4128.34.7112.7P166 I171 M173 A179 F211P166-R175 VanDerWaalsContact CA-NH1 3.3Å; P166-R175 VanDerWaalsContact CB-NH2 3.32Å; P166-R175 PolarHBondContact O-NH1 3.03Å; I171-R175 WeakPolarHBondContact O-CB 3.38Å; I171-R175 WeakPolarHBondContact O-CG 3.3Å; I171-R175 PolarHBondContact O-N 2.86Å; M173-R175 VanDerWaalsContact C-N 3.33Å; M173-R175 PolarHBondContact O-N 2.91Å; R175-A179 WeakPolarHBondContact O-CB 3.4Å; R175-A179 PolarHBondContact O-N 3.32Å; R175-F211 HydrophobicContact CB-CD1 4.47Å; R175-F211 HydrophobicContact CB-CE1 4.28Å; R175-F211 HydrophobicContact CG-CD1 3.49Å; R175-F211 VanDerWaalsContact CG-CD1 3.49Å; R175-F211 HydrophobicContact CG-CE1 3.16Å; R175-F211 HydrophobicContact CG-CE2 4.47Å; R175-F211 HydrophobicContact CG-CG 4.31Å; R175-F211 HydrophobicContact CG-CZ 3.75Å
176I95.4Very high93.4Very high13 Ų1333.9 Ų33.97%0.06717%0.167CC..Hα-helixtrans-67.7-49.4177.8-72.1166.4000109.9Q172 M173 F174 I178 A179 L180 C337 V339Q172-I176 PolarHBondContact O-N 3.31Å; M173-I176 WeakPolarHBondContact O-CB 3.39Å; M173-I176 PolarHBondContact O-N 3.09Å; M173-I176 VanDerWaalsContact O-N 3.15Å; F174-I176 VanDerWaalsContact C-N 3.26Å; F174-I176 PolarHBondContact O-N 2.9Å; I176-I178 PolarHBondContact O-N 2.99Å; I176-A179 PolarHBondContact O-N 3.36Å; I176-L180 WeakPolarHBondContact O-CB 3.49Å; I176-L180 PolarHBondContact O-N 3.13Å; I176-C337 HydrophobicContact CG2-CB 4.35Å; I176-C337 WeakPolarHBondContact CG2-O 3.39Å; I176-V339 HydrophobicContact CD1-CB 4.31Å; I176-V339 HydrophobicContact CD1-CG1 3.84Å; I176-V339 HydrophobicContact CD1-CG2 3.65Å
177G95.7Very high94Very high0 Ų033 Ų330%016%0.159CC..Hα-helixtrans-61.9-43.2179.300000113.8Y125 M173 F174 L180 L181Y125-G177 VanDerWaalsContact CD2-CA 3.42Å; M173-G177 PolarHBondContact O-N 3.36Å; F174-G177 PolarHBondContact O-N 2.92Å; G177-L180 WeakPolarHBondContact O-CB 3.47Å; G177-L180 PolarHBondContact O-N 3.16Å; G177-L181 PolarHBondContact O-N 2.93Å
178I95.2Very high94.6Very high41 Ų4124.9 Ų24.921%0.2113%0.127CC..Hα-helixtrans-68-39.6176.6-69.3166.4000110.9F174 I176 L180 L181 Q182 F211 L212F174-I178 HydrophobicContact CB-CD1 4.32Å; F174-I178 VanDerWaalsContact O-CB 3.26Å; F174-I178 WeakPolarHBondContact O-CB 3.48Å; F174-I178 VanDerWaalsContact O-CG1 3.27Å; F174-I178 WeakPolarHBondContact O-CG1 3.27Å; F174-I178 PolarHBondContact O-N 3.36Å; I176-I178 PolarHBondContact O-N 2.99Å; I178-L180 VanDerWaalsContact C-N 3.27Å; I178-L180 PolarHBondContact O-N 2.9Å; I178-L181 PolarHBondContact O-N 3.31Å; I178-Q182 HydrophobicContact CG2-CG 4.34Å; I178-Q182 WeakPolarHBondContact O-CB 3.46Å; I178-Q182 WeakPolarHBondContact O-CG 3.24Å; I178-Q182 PolarHBondContact O-N 2.89Å; I178-Q182 PolarHBondContact O-NE2 3.1Å; I178-F211 HydrophobicContact CD1-CD1 3.88Å; I178-F211 HydrophobicContact CD1-CE1 4.46Å; I178-L212 HydrophobicContact CG2-CD2 4.17Å
179A95.3Very high94.9Very high53 Ų5325.8 Ų25.844%0.43813%0.132SC..Hα-helixtrans-60.5-40.917400000111.3R175 I176 Q182 E183R175-A179 WeakPolarHBondContact O-CB 3.4Å; R175-A179 PolarHBondContact O-N 3.32Å; I176-A179 PolarHBondContact O-N 3.36Å; A179-Q182 PolarHBondContact O-N 3.04Å; A179-E183 WeakPolarHBondContact O-CB 3.31Å; A179-E183 PolarHBondContact O-N 2.96Å
180L95.3Very high95Very high16 Ų1628.1 Ų28.18%0.08414%0.137CC..Hα-helixtrans-62.3-48175.9-172.3148.5000112.1Y54 A126 I176 G177 I178 Q182 E183 Y184 L336Y54-L180 HydrophobicContact CE1-CD2 4.46Å; Y54-L180 HydrophobicContact CE2-CD1 4.29Å; Y54-L180 WeakPolarHBondContact OH-CD1 3.38Å; Y54-L180 VanDerWaalsContact OH-CD2 3.27Å; Y54-L180 WeakPolarHBondContact OH-CD2 3.05Å; A126-L180 HydrophobicContact CB-CD2 4.13Å; I176-L180 WeakPolarHBondContact O-CB 3.49Å; I176-L180 PolarHBondContact O-N 3.13Å; G177-L180 WeakPolarHBondContact O-CB 3.47Å; G177-L180 PolarHBondContact O-N 3.16Å; I178-L180 VanDerWaalsContact C-N 3.27Å; I178-L180 PolarHBondContact O-N 2.9Å; L180-Q182 VanDerWaalsContact C-N 3.25Å; L180-Q182 PolarHBondContact O-N 3.11Å; L180-E183 PolarHBondContact O-N 3.42Å; L180-Y184 PolarHBondContact O-N 2.72Å; L180-L336 HydrophobicContact CD1-CD2 3.64Å
181L95.5Very high95.3Very high36 Ų3629.4 Ų29.419%0.18814%0.144CC..Hα-helixtrans-57.9-42.9175.9-83.8178.1000111.6Y125 G177 I178 E183 Y185 I186Y125-L181 HydrophobicContact CD1-CD1 3.49Å; Y125-L181 VanDerWaalsContact CD1-CD1 3.49Å; Y125-L181 HydrophobicContact CD1-CG 4.09Å; Y125-L181 HydrophobicContact CE1-CD1 4.02Å; Y125-L181 HydrophobicContact CG-CD1 4.2Å; Y125-L181 HydrophobicContact CG-CG 4.36Å; Y125-L181 VanDerWaalsContact O-CD2 3.24Å; Y125-L181 WeakPolarHBondContact O-CD2 3.35Å; G177-L181 PolarHBondContact O-N 2.93Å; I178-L181 PolarHBondContact O-N 3.31Å; L181-E183 VanDerWaalsContact C-N 3.31Å; L181-E183 PolarHBondContact O-N 3.17Å; L181-Y185 HydrophobicContact CD2-CD2 3.89Å; L181-Y185 CarbonylContact O-C 3.48Å; L181-Y185 WeakPolarHBondContact O-CA 3.4Å; L181-Y185 WeakPolarHBondContact O-CB 3.38Å; L181-Y185 PolarHBondContact O-N 3.14Å; L181-I186 PolarHBondContact O-N 3.34Å
182Q95.5Very high95.5Very high16 Ų1630 Ų308%0.07515%0.147CC..Hα-helixtrans-72.4-27.2-177.9-71.4-177105.700113.3I178 A179 L180 I186 F211 L212 L213I178-Q182 HydrophobicContact CG2-CG 4.34Å; I178-Q182 WeakPolarHBondContact O-CB 3.46Å; I178-Q182 WeakPolarHBondContact O-CG 3.24Å; I178-Q182 PolarHBondContact O-N 2.89Å; I178-Q182 PolarHBondContact O-NE2 3.1Å; A179-Q182 PolarHBondContact O-N 3.04Å; L180-Q182 VanDerWaalsContact C-N 3.25Å; L180-Q182 PolarHBondContact O-N 3.11Å; Q182-I186 HydrophobicContact CB-CB 4.5Å; Q182-I186 HydrophobicContact CB-CD1 4.44Å; Q182-I186 HydrophobicContact CG-CD1 3.94Å; Q182-I186 WeakPolarHBondContact O-CB 2.9Å; Q182-I186 WeakPolarHBondContact O-CG2 3.23Å; Q182-F211 PolarHBondContact NE2-O 3.12Å; Q182-L212 VanDerWaalsContact OE1-CA 3.22Å; Q182-L213 HydrophobicContact CB-CD1 3.97Å; Q182-L213 HydrophobicContact CB-CG 4.29Å
183E93.4Very high95.7Very high78 Ų7827.4 Ų27.436%0.36414%0.135SC..Hα-helixtrans-68.1-48.4177.3-179.1162.1-151.500111F47 R50 A179 L180 L181F47-E183 VanDerWaalsContact CE2-O 3.3Å; F47-E183 WeakPolarHBondContact CE2-O 3.07Å; R50-E183 IonicContact CZ-OE1 3.65Å; R50-E183 VanDerWaalsContact NH1-CD 3.31Å; R50-E183 IonicContact NH1-OE1 3.89Å; R50-E183 PolarHBondContact NH1-OE1 2.96Å; R50-E183 IonicContact NH1-OE2 2.77Å; R50-E183 IonicContact NH2-OE1 2.78Å; R50-E183 PolarHBondContact NH2-OE1 3.43Å; A179-E183 WeakPolarHBondContact O-CB 3.31Å; A179-E183 PolarHBondContact O-N 2.96Å; L180-E183 PolarHBondContact O-N 3.42Å; L181-E183 VanDerWaalsContact C-N 3.31Å; L181-E183 PolarHBondContact O-N 3.17Å
184Y94Very high95.8Very high17 Ų1727.2 Ų27.27%0.06713%0.134CC..Hα-helixtrans-101.4-26.9-171.3-60.1-63.7000115F47 R50 Y51 Y54 L180F47-Y184 AromaticContact CE2-CD1 3.72Å; F47-Y184 HydrophobicContact CE2-CD1 3.72Å; F47-Y184 HydrophobicContact CE2-CE1 4.1Å; F47-Y184 AromaticContact CZ-CD1 3.82Å; F47-Y184 HydrophobicContact CZ-CD1 3.82Å; R50-Y184 PolarHBondContact NH1-OH 2.83Å; Y51-Y184 AromaticContact CD2-CD1 3.64Å; Y51-Y184 HydrophobicContact CD2-CD1 3.64Å; Y51-Y184 HydrophobicContact CD2-CE1 4.33Å; Y51-Y184 AromaticContact CD2-CG 3.94Å; Y51-Y184 HydrophobicContact CD2-CG 3.94Å; Y51-Y184 HydrophobicContact CG-CD1 4.2Å; Y54-Y184 HydrophobicContact CD1-CD2 4.05Å; Y54-Y184 AromaticContact CD1-CE2 3.83Å; Y54-Y184 HydrophobicContact CD1-CE2 3.83Å; Y54-Y184 HydrophobicContact CD2-CE2 4.35Å; Y54-Y184 AromaticContact CE1-CD2 3.85Å; Y54-Y184 HydrophobicContact CE1-CD2 3.85Å; Y54-Y184 AromaticContact CE1-CE2 3.82Å; Y54-Y184 HydrophobicContact CE1-CE2 3.82Å; Y54-Y184 HydrophobicContact CE2-CE2 4.39Å; Y54-Y184 HydrophobicContact CG-CE2 4.11Å; L180-Y184 PolarHBondContact O-N 2.72Å
185Y95.5Very high96Very high14 Ų1425.9 Ų25.96%0.05513%0.128CC..SBendtrans-125.55.7-166.1-49.7-74.3000114.4Y51 G129 E130 L181 E187 L188Y51-Y185 AromaticContact CE2-CE1 3.94Å; Y51-Y185 HydrophobicContact CE2-CE1 3.94Å; G129-Y185 VanDerWaalsContact C-CE1 3.49Å; E130-Y185 WeakPolarHBondContact CG-OH 3.33Å; E130-Y185 WeakPolarHBondContact OE1-CE1 3.29Å; E130-Y185 PolarHBondContact OE1-OH 3.42Å; L181-Y185 HydrophobicContact CD2-CD2 3.89Å; L181-Y185 CarbonylContact O-C 3.48Å; L181-Y185 WeakPolarHBondContact O-CA 3.4Å; L181-Y185 WeakPolarHBondContact O-CB 3.38Å; L181-Y185 PolarHBondContact O-N 3.14Å; Y185-E187 PolarHBondContact O-N 3.26Å; Y185-L188 HydrophobicContact CD1-CD1 4.15Å; Y185-L188 VanDerWaalsContact O-CB 3.24Å; Y185-L188 WeakPolarHBondContact O-CB 3.39Å; Y185-L188 WeakPolarHBondContact O-CG 3.3Å; Y185-L188 PolarHBondContact O-N 2.91Å
186I95.5Very high96.1Very high9 Ų924.6 Ų24.65%0.04613%0.126CC..THydrogen-bonded Turntrans-62.7-26.6-176.7-166.658.8000114.4L36 L181 Q182 L188 L189 K215 A216L36-I186 HydrophobicContact CD2-CG2 3.52Å; L181-I186 PolarHBondContact O-N 3.34Å; Q182-I186 HydrophobicContact CB-CB 4.5Å; Q182-I186 HydrophobicContact CB-CD1 4.44Å; Q182-I186 HydrophobicContact CG-CD1 3.94Å; Q182-I186 WeakPolarHBondContact O-CB 2.9Å; Q182-I186 WeakPolarHBondContact O-CG2 3.23Å; I186-L188 PolarHBondContact O-N 3.42Å; I186-L189 HydrophobicContact CD1-CD2 4.31Å; I186-L189 PolarHBondContact O-N 2.92Å; I186-K215 HydrophobicContact CG1-CD 4.25Å; I186-K215 HydrophobicContact CG1-CG 4.16Å; I186-K215 HydrophobicContact CG2-CD 4.5Å; I186-A216 HydrophobicContact CD1-CB 3.42Å; I186-A216 VanDerWaalsContact CD1-CB 3.42Å; I186-A216 HydrophobicContact CG1-CB 4.36Å
187E95.5Very high95.8Very high29 Ų2924.3 Ų24.314%0.13613%0.125CC..THydrogen-bonded Turntrans-73.2-11.2175.3-66.1-58.8124.100112.9R32 R35 L36 Y185 K215R32-E187 HydrophobicContact CB-CB 3.97Å; R32-E187 HydrophobicContact CB-CG 4.43Å; R32-E187 HydrophobicContact CG-CB 3.93Å; R35-E187 IonicContact CZ-OE2 3.7Å; R35-E187 IonicContact NE-OE2 2.83Å; R35-E187 PolarHBondContact NE-OE2 2.99Å; R35-E187 IonicContact NH2-OE2 3.98Å; L36-E187 HydrophobicContact CD1-CB 4.46Å; L36-E187 HydrophobicContact CD1-CG 3.75Å; L36-E187 HydrophobicContact CD2-CG 3.88Å; L36-E187 HydrophobicContact CG-CG 3.5Å; L36-E187 VanDerWaalsContact CG-CG 3.5Å; Y185-E187 PolarHBondContact O-N 3.26Å; E187-K215 IonicContact OE1-NZ 2.71Å; E187-K215 PolarHBondContact OE1-NZ 2.95Å
188L97.6Very high95.4Very high7 Ų726.3 Ų26.34%0.03715%0.146CC..THydrogen-bonded Turntrans-76.1-34170.2-56.1-176000111.2F132 L133 V136 G148 V149 Y185 I186 R190F132-L188 HydrophobicContact CB-CD1 4.04Å; L133-L188 HydrophobicContact CB-CD1 4.02Å; L133-L188 HydrophobicContact CD1-CD1 4.45Å; L133-L188 HydrophobicContact CD1-CD2 3.95Å; V136-L188 HydrophobicContact CB-CD2 4.38Å; V136-L188 HydrophobicContact CG1-CD2 4.15Å; V136-L188 HydrophobicContact CG2-CD2 4.38Å; G148-L188 CarbonylContact C-O 3.59Å; G148-L188 WeakPolarHBondContact CA-O 3.46Å; V149-L188 HydrophobicContact CG2-CB 4.07Å; V149-L188 PolarHBondContact N-O 3.23Å; Y185-L188 HydrophobicContact CD1-CD1 4.15Å; Y185-L188 VanDerWaalsContact O-CB 3.24Å; Y185-L188 WeakPolarHBondContact O-CB 3.39Å; Y185-L188 WeakPolarHBondContact O-CG 3.3Å; Y185-L188 PolarHBondContact O-N 2.91Å; I186-L188 PolarHBondContact O-N 3.42Å; L188-R190 PolarHBondContact O-N 2.85Å
189L97.7Very high95.1Very high27 Ų2730 Ų3014%0.14118%0.176CC..EExtended strand (participates in β ladder)trans-63.4120.4-176.6-178.165.2000110.3V151 I186 N191 L192 A216 K219V151-L189 HydrophobicContact CG2-CD1 3.93Å; I186-L189 HydrophobicContact CD1-CD2 4.31Å; I186-L189 PolarHBondContact O-N 2.92Å; L189-N191 WeakPolarHBondContact CD1-O 3.43Å; L189-L192 HydrophobicContact CD1-CB 4.37Å; L189-A216 HydrophobicContact CD2-CB 4.07Å; L189-K219 HydrophobicContact CB-CD 4.41Å; L189-K219 HydrophobicContact CD2-CB 4.46Å; L189-K219 HydrophobicContact CD2-CD 4.14Å; L189-K219 HydrophobicContact CG-CD 3.99Å; L189-K219 WeakPolarHBondContact O-CD 3.27Å; L189-K219 WeakPolarHBondContact O-CE 3.32Å; L189-K219 PolarHBondContact O-NZ 3.14Å
190R97.3Very high94.8Very high77 Ų7729 Ų2929%0.29116%0.164SC..EExtended strand (participates in β ladder)trans-101.1-50.9173.8-172.1163.3-77.5-161.6-1.8110.9D95 E146 V149 L188D95-R190 PolarHBondContact O-NH1 2.97Å; D95-R190 WeakPolarHBondContact OD2-CD 3.24Å; E146-R190 PolarHBondContact O-NH2 3.42Å; E146-R190 VanDerWaalsContact O-NH2 3.08Å; V149-R190 PolarHBondContact O-N 2.52Å; L188-R190 PolarHBondContact O-N 2.85Å
191N97.9Very high94.6Very high28 Ų2830 Ų3015%0.1517%0.17CC..EExtended strand (participates in β ladder)trans-133.6140.7179.1-52.3-69.8000110.7D95 V149 T150 V151 L189 I193 Q221D95-N191 PolarHBondContact OD2-ND2 3.05Å; V149-N191 PolarHBondContact O-N 3.05Å; T150-N191 HydrophobicContact CG2-CB 4.06Å; T150-N191 PolarHBondContact OG1-ND2 3.4Å; V151-N191 PolarHBondContact N-O 2.91Å; L189-N191 WeakPolarHBondContact CD1-O 3.43Å; N191-I193 HydrophobicContact CB-CD1 4.47Å; N191-I193 HydrophobicContact CB-CG1 4.13Å; N191-Q221 PolarHBondContact OD1-NE2 2.97Å
192L98.1Very high94.4Very high20 Ų2037 Ų3711%0.10519%0.194CC..EExtended strand (participates in β ladder)trans-119.193.2167.4176.254.4000108.4V151 L189 I194 L212 K219 I220 Q221V151-L192 HydrophobicContact CB-CD1 3.92Å; V151-L192 HydrophobicContact CG1-CD1 3.89Å; V151-L192 CarbonylContact O-C 3.49Å; L189-L192 HydrophobicContact CD1-CB 4.37Å; L192-I194 HydrophobicContact CD1-CD1 3.98Å; L192-I194 HydrophobicContact CG-CD1 3.93Å; L192-L212 HydrophobicContact CD2-CD1 4.15Å; L192-K219 PolarHBondContact N-O 2.81Å; L192-I220 HydrophobicContact CB-CG1 4.42Å; L192-I220 HydrophobicContact CD2-CD1 4.45Å; L192-I220 HydrophobicContact CD2-CG1 3.79Å; L192-I220 HydrophobicContact CG-CG1 4.17Å; L192-I220 CarbonylContact O-C 3.58Å; L192-I220 VanDerWaalsContact O-CA 3.27Å; L192-I220 WeakPolarHBondContact O-CA 3.23Å; L192-Q221 PolarHBondContact O-N 3.43Å
193I98.2Very high94.2Very high0 Ų037.7 Ų37.70%020%0.199CC..EExtended strand (participates in β ladder)trans-91.6123.2-175.2-54.7177.3000108.9T150 V151 I152 Y153 N191 V195 Q221 I223 L232 V236T150-I193 HydrophobicContact CG2-CD1 3.85Å; T150-I193 HydrophobicContact CG2-CG1 4.45Å; V151-I193 PolarHBondContact O-N 3.25Å; I152-I193 CarbonylContact C-O 3.53Å; I152-I193 WeakPolarHBondContact CA-O 3.08Å; Y153-I193 PolarHBondContact N-O 2.89Å; N191-I193 HydrophobicContact CB-CD1 4.47Å; N191-I193 HydrophobicContact CB-CG1 4.13Å; I193-V195 HydrophobicContact CG2-CG1 4.05Å; I193-Q221 CarbonylContact C-O 3.54Å; I193-Q221 WeakPolarHBondContact CA-O 3.14Å; I193-Q221 HydrophobicContact CG1-CB 4.46Å; I193-I223 HydrophobicContact CG2-CD1 3.46Å; I193-I223 VanDerWaalsContact CG2-CD1 3.46Å; I193-I223 HydrophobicContact CG2-CG1 3.94Å; I193-L232 HydrophobicContact CG2-CD2 3.88Å; I193-V236 HydrophobicContact CD1-CG2 3.96Å
194I97.5Very high94.1Very high0 Ų035.1 Ų35.10%019%0.187CC..EExtended strand (participates in β ladder)trans-104.9125.1179.7-48.3-56.2000108.7Y153 L155 L192 F204 I220 Q221 I222 I223Y153-I194 HydrophobicContact CG-CD1 4.46Å; Y153-I194 WeakPolarHBondContact O-CA 3.42Å; L155-I194 HydrophobicContact CD1-CG2 3.42Å; L155-I194 VanDerWaalsContact CD1-CG2 3.42Å; L155-I194 HydrophobicContact CG-CG2 3.85Å; L192-I194 HydrophobicContact CD1-CD1 3.98Å; L192-I194 HydrophobicContact CG-CD1 3.93Å; I194-F204 HydrophobicContact CD1-CE1 3.58Å; I194-F204 HydrophobicContact CD1-CE2 4.31Å; I194-F204 HydrophobicContact CD1-CZ 3.41Å; I194-F204 VanDerWaalsContact CD1-CZ 3.41Å; I194-F204 HydrophobicContact CG1-CD1 4.43Å; I194-F204 HydrophobicContact CG1-CE1 3.68Å; I194-F204 HydrophobicContact CG1-CZ 4.06Å; I194-F204 HydrophobicContact CG2-CE1 4.44Å; I194-I220 HydrophobicContact CG1-CG2 3.88Å; I194-Q221 PolarHBondContact N-O 3.47Å; I194-I222 HydrophobicContact CB-CG1 4.23Å; I194-I222 HydrophobicContact CG1-CG1 4.47Å; I194-I223 PolarHBondContact O-N 2.69Å
195V97.3Very high94.1Very high0 Ų036.8 Ų36.80%020%0.197CC..EExtended strand (participates in β ladder)trans-126.3161.7-177.8-57.30000111I152 Y153 D154 L155 I193 S197 I223 M228 L232 Y245I152-V195 HydrophobicContact CG2-CG1 4.14Å; I152-V195 HydrophobicContact CG2-CG2 4.01Å; Y153-V195 PolarHBondContact O-N 3.45Å; D154-V195 HydrophobicContact CB-CG2 3.95Å; L155-V195 PolarHBondContact N-O 3.03Å; I193-V195 HydrophobicContact CG2-CG1 4.05Å; V195-S197 PolarHBondContact O-N 3.18Å; V195-S197 VanDerWaalsContact O-N 3.11Å; V195-I223 HydrophobicContact CG1-CB 4.38Å; V195-M228 HydrophobicContact CB-CG 4.43Å; V195-M228 HydrophobicContact CB-SD 3.73Å; V195-M228 HydrophobicContact CG1-CG 4.43Å; V195-M228 HydrophobicContact CG1-SD 4.3Å; V195-M228 HydrophobicContact CG2-SD 4.45Å; V195-L232 HydrophobicContact CG1-CD1 4.04Å; V195-L232 HydrophobicContact CG1-CD2 4Å; V195-L232 HydrophobicContact CG1-CG 4.35Å; V195-Y245 HydrophobicContact CG2-CE1 4.17Å
196N94.5Very high93.9Very high35 Ų3541.1 Ų41.119%0.18722%0.218CC..SBendtrans49.138.8-179.1-59.8-40.8000113.5D154 L155 E156 D225 M228D154-N196 WeakPolarHBondContact OD1-CB 3.43Å; D154-N196 PolarHBondContact OD1-ND2 3.49Å; L155-N196 CarbonylContact C-O 3.53Å; E156-N196 HydrophobicContact CB-CB 3.72Å; E156-N196 PolarHBondContact N-O 3.29Å; N196-D225 WeakPolarHBondContact CA-OD1 3.44Å; N196-M228 PolarHBondContact OD1-SD 3.19Å
197S90.1Very high93.6Very high7 Ų742 Ų425%0.04922%0.222CC..  trans-81.6-15.6-170.367.30000114.3V195 S199 V200 V201V195-S197 PolarHBondContact O-N 3.18Å; V195-S197 VanDerWaalsContact O-N 3.11Å; S197-S199 PolarHBondContact O-N 2.92Å; S197-V200 WeakPolarHBondContact O-CG2 3.11Å; S197-V200 PolarHBondContact O-N 2.87Å; S197-V201 PolarHBondContact O-N 3.44Å
198G87.8Confident93.5Very high43 Ų4340.9 Ų40.944%0.44322%0.218SC..G310 helixtrans39.9-130.4175.800000113.9V200G198-V200 VanDerWaalsContact C-N 3.35Å
199S86.8Confident93.3Very high119 Ų11948.1 Ų48.183%0.83225%0.249SC*.G310 helixtrans-81-11.5178.259.30000114.1S197S197-S199 PolarHBondContact O-N 2.92Å
200V89.7Confident92.8Very high32 Ų3251.6 Ų51.619%0.19427%0.271CS..G310 helixtrans-85.7-11.5-174.7-62.90000113.7L155 I160 S197 G198 R202 V203 F204L155-V200 HydrophobicContact CB-CG2 4.4Å; L155-V200 HydrophobicContact CD1-CG2 4.43Å; I160-V200 HydrophobicContact CG2-CB 3.69Å; I160-V200 HydrophobicContact CG2-CG1 3.85Å; S197-V200 WeakPolarHBondContact O-CG2 3.11Å; S197-V200 PolarHBondContact O-N 2.87Å; G198-V200 VanDerWaalsContact C-N 3.35Å; V200-R202 PolarHBondContact O-N 2.95Å; V200-R202 VanDerWaalsContact O-N 3.12Å; V200-V203 WeakPolarHBondContact O-CB 3.47Å; V200-V203 PolarHBondContact O-N 3.35Å; V200-F204 PolarHBondContact O-N 3.07Å
201V91.7Very high92.5Very high35 Ų3549.4 Ų49.421%0.21226%0.264CS..Hα-helixtrans-50.3-40-178690000114S197 F204 L205 I222S197-V201 PolarHBondContact O-N 3.44Å; V201-F204 WeakPolarHBondContact O-CB 3.46Å; V201-F204 PolarHBondContact O-N 3.31Å; V201-L205 HydrophobicContact CG2-CD1 4.48Å; V201-L205 WeakPolarHBondContact O-CG 3.4Å; V201-L205 PolarHBondContact O-N 2.9Å; V201-I222 HydrophobicContact CG2-CD1 3.48Å; V201-I222 VanDerWaalsContact CG2-CD1 3.48Å; V201-I222 HydrophobicContact CG2-CG1 4.08Å; V201-I222 HydrophobicContact CG2-CG2 4.01Å
202R91.5Very high92.4Very high185 Ų18549.8 Ų49.870%0.69827%0.266SS*.Hα-helixtrans-66.4-41.5179.7-176.6178.7178.8-177.81111.7V200 F204 Q206V200-R202 PolarHBondContact O-N 2.95Å; V200-R202 VanDerWaalsContact O-N 3.12Å; R202-F204 VanDerWaalsContact C-N 3.35Å; R202-Q206 WeakPolarHBondContact O-CG 3.48Å; R202-Q206 PolarHBondContact O-N 2.85Å; R202-Q206 VanDerWaalsContact O-N 3.11Å
203V90.2Very high92.3Very high29 Ų2952.4 Ų52.418%0.17628%0.279CS..Hα-helixtrans-67.2-41.9177.1177.30000109.8I160 L164 V200 L205 Q206 L207I160-V203 HydrophobicContact CD1-CG1 4.4Å; I160-V203 HydrophobicContact CG1-CG1 4.14Å; I160-V203 HydrophobicContact CG2-CB 3.96Å; I160-V203 HydrophobicContact CG2-CG1 3.71Å; L164-V203 HydrophobicContact CD1-CG1 4.31Å; L164-V203 HydrophobicContact CD2-CG1 3.57Å; L164-V203 HydrophobicContact CG-CG1 4.04Å; V200-V203 WeakPolarHBondContact O-CB 3.47Å; V200-V203 PolarHBondContact O-N 3.35Å; V203-L205 PolarHBondContact O-N 3.43Å; V203-Q206 PolarHBondContact O-N 3.39Å; V203-L207 HydrophobicContact CG1-CD1 4.35Å; V203-L207 PolarHBondContact O-N 3.34Å
204F92.1Very high92.1Very high24 Ų2456.7 Ų56.711%0.10531%0.308CS..Hα-helixtrans-56.9-51.4174.3175.4-93.4000111.7Y153 L155 I160 I194 V200 V201 R202 Q206 L207 A208 I220Y153-F204 HydrophobicContact CD1-CE2 4.35Å; Y153-F204 HydrophobicContact CE1-CE2 4.36Å; L155-F204 HydrophobicContact CD1-CB 3.98Å; L155-F204 HydrophobicContact CD1-CD1 4.45Å; L155-F204 HydrophobicContact CD1-CD2 3.87Å; L155-F204 HydrophobicContact CD1-CG 3.83Å; L155-F204 HydrophobicContact CD2-CD2 4.11Å; L155-F204 HydrophobicContact CD2-CE2 4.4Å; I160-F204 VanDerWaalsContact CD1-CA 3.42Å; I160-F204 HydrophobicContact CD1-CB 3.61Å; I160-F204 HydrophobicContact CD1-CD2 3.95Å; I160-F204 HydrophobicContact CD1-CG 4.29Å; I194-F204 HydrophobicContact CD1-CE1 3.58Å; I194-F204 HydrophobicContact CD1-CE2 4.31Å; I194-F204 HydrophobicContact CD1-CZ 3.41Å; I194-F204 VanDerWaalsContact CD1-CZ 3.41Å; I194-F204 HydrophobicContact CG1-CD1 4.43Å; I194-F204 HydrophobicContact CG1-CE1 3.68Å; I194-F204 HydrophobicContact CG1-CZ 4.06Å; I194-F204 HydrophobicContact CG2-CE1 4.44Å; V200-F204 PolarHBondContact O-N 3.07Å; V201-F204 WeakPolarHBondContact O-CB 3.46Å; V201-F204 PolarHBondContact O-N 3.31Å; R202-F204 VanDerWaalsContact C-N 3.35Å; F204-Q206 VanDerWaalsContact C-N 3.29Å; F204-Q206 PolarHBondContact O-N 3.28Å; F204-L207 PolarHBondContact O-N 3.07Å; F204-L207 VanDerWaalsContact O-N 3.15Å; F204-A208 HydrophobicContact CE1-CB 4.21Å; F204-A208 HydrophobicContact CZ-CB 4.48Å; F204-A208 WeakPolarHBondContact O-CB 3.28Å; F204-A208 PolarHBondContact O-N 3.39Å; F204-I220 HydrophobicContact CE1-CD1 4.33Å
205L93.9Very high92Very high53 Ų5359.7 Ų59.728%0.27732%0.32SS..Hα-helixtrans-61.9-35.4179.4-73176.8000112.9V201 V203 K209 F217 I220 I222V201-L205 HydrophobicContact CG2-CD1 4.48Å; V201-L205 WeakPolarHBondContact O-CG 3.4Å; V201-L205 PolarHBondContact O-N 2.9Å; V203-L205 PolarHBondContact O-N 3.43Å; L205-K209 WeakPolarHBondContact O-CB 3.5Å; L205-K209 PolarHBondContact O-N 3.14Å; L205-F217 HydrophobicContact CD2-CE2 4.32Å; L205-F217 HydrophobicContact CD2-CZ 4.22Å; L205-I220 HydrophobicContact CD2-CD1 4.29Å; L205-I220 HydrophobicContact CD2-CG2 4.13Å; L205-I222 HydrophobicContact CD1-CD1 3.76Å; L205-I222 HydrophobicContact CD2-CD1 4.01Å; L205-I222 HydrophobicContact CG-CD1 4.1Å
206Q90.8Very high91.9Very high105 Ų10559.7 Ų59.749%0.49132%0.321SS..Hα-helixtrans-64.2-44.5174.6-75.8175.9-19.100111.9R202 V203 F204 V210R202-Q206 WeakPolarHBondContact O-CG 3.48Å; R202-Q206 PolarHBondContact O-N 2.85Å; R202-Q206 VanDerWaalsContact O-N 3.11Å; V203-Q206 PolarHBondContact O-N 3.39Å; F204-Q206 VanDerWaalsContact C-N 3.29Å; F204-Q206 PolarHBondContact O-N 3.28Å; Q206-V210 WeakPolarHBondContact O-CG2 2.81Å; Q206-V210 PolarHBondContact O-N 3.41Å
207L89.4Confident92.1Very high26 Ų2661 Ų6114%0.13633%0.325CS..Hα-helixtrans-66.4-48.6174.7-68.3173.2000110.5I160 L164 V203 F204 K209 V210 F211I160-L207 HydrophobicContact CD1-CD1 3.96Å; I160-L207 HydrophobicContact CG1-CD1 3.68Å; L164-L207 HydrophobicContact CD2-CD2 4.3Å; L164-L207 HydrophobicContact CD2-CG 4.43Å; V203-L207 HydrophobicContact CG1-CD1 4.35Å; V203-L207 PolarHBondContact O-N 3.34Å; F204-L207 PolarHBondContact O-N 3.07Å; F204-L207 VanDerWaalsContact O-N 3.15Å; L207-K209 PolarHBondContact O-N 3.06Å; L207-V210 WeakPolarHBondContact O-CA 3.32Å; L207-V210 WeakPolarHBondContact O-CB 3.12Å; L207-V210 PolarHBondContact O-N 2.95Å; L207-F211 HydrophobicContact CB-CD2 4.45Å; L207-F211 HydrophobicContact CB-CE2 4.33Å; L207-F211 HydrophobicContact CD2-CE2 4.01Å; L207-F211 WeakPolarHBondContact O-CD2 3.31Å; L207-F211 PolarHBondContact O-N 2.77Å
208A93.3Very high92.4Very high7 Ų768.1 Ų68.16%0.05836%0.357CS..Hα-helixtrans-52.9-42.8178.200000111.7F204 V210 F211 L212 F217 I220F204-A208 HydrophobicContact CE1-CB 4.21Å; F204-A208 HydrophobicContact CZ-CB 4.48Å; F204-A208 WeakPolarHBondContact O-CB 3.28Å; F204-A208 PolarHBondContact O-N 3.39Å; A208-V210 PolarHBondContact O-N 2.83Å; A208-F211 PolarHBondContact O-N 3.42Å; A208-L212 HydrophobicContact CB-CD1 3.98Å; A208-L212 HydrophobicContact CB-CG 4.44Å; A208-L212 WeakPolarHBondContact O-CA 3.46Å; A208-L212 WeakPolarHBondContact O-CB 3.42Å; A208-L212 WeakPolarHBondContact O-CG 3.1Å; A208-L212 PolarHBondContact O-N 3.48Å; A208-F217 HydrophobicContact CB-CD2 3.98Å; A208-F217 HydrophobicContact CB-CE2 3.92Å; A208-I220 HydrophobicContact CB-CD1 3.86Å
209K92.9Very high92.9Very high158 Ų15868.6 Ų68.669%0.68735%0.347SS*.Hα-helixtrans-62.8-27.6176.9-171172.3-177175.10113.9L205 L207 F217L205-K209 WeakPolarHBondContact O-CB 3.5Å; L205-K209 PolarHBondContact O-N 3.14Å; L207-K209 PolarHBondContact O-N 3.06Å; K209-F217 HydrophobicContact CB-CD2 4.21Å; K209-F217 HydrophobicContact CB-CE2 3.75Å; K209-F217 HydrophobicContact CB-CZ 4.28Å
210V88.6Confident93.4Very high100 Ų10064.2 Ų64.261%0.60631%0.314SS*.Hα-helixtrans-84.6-33177.9172.90000111.8Q206 L207 A208Q206-V210 WeakPolarHBondContact O-CG2 2.81Å; Q206-V210 PolarHBondContact O-N 3.41Å; L207-V210 WeakPolarHBondContact O-CA 3.32Å; L207-V210 WeakPolarHBondContact O-CB 3.12Å; L207-V210 PolarHBondContact O-N 2.95Å; A208-V210 PolarHBondContact O-N 2.83Å
211F91Very high93.7Very high31 Ų3166 Ų6614%0.13632%0.32CS..Hα-helixtrans-94-32.7-173.7-76.7-114.5000113.2I171 R175 I178 Q182 L207 A208I171-F211 HydrophobicContact CD1-CE1 4.47Å; I171-F211 HydrophobicContact CD1-CZ 3.89Å; I171-F211 HydrophobicContact CG2-CE1 4.44Å; I171-F211 HydrophobicContact CG2-CZ 3.76Å; R175-F211 HydrophobicContact CB-CD1 4.47Å; R175-F211 HydrophobicContact CB-CE1 4.28Å; R175-F211 HydrophobicContact CG-CD1 3.49Å; R175-F211 VanDerWaalsContact CG-CD1 3.49Å; R175-F211 HydrophobicContact CG-CE1 3.16Å; R175-F211 HydrophobicContact CG-CE2 4.47Å; R175-F211 HydrophobicContact CG-CG 4.31Å; R175-F211 HydrophobicContact CG-CZ 3.75Å; I178-F211 HydrophobicContact CD1-CD1 3.88Å; I178-F211 HydrophobicContact CD1-CE1 4.46Å; Q182-F211 PolarHBondContact NE2-O 3.12Å; L207-F211 HydrophobicContact CB-CD2 4.45Å; L207-F211 HydrophobicContact CB-CE2 4.33Å; L207-F211 HydrophobicContact CD2-CE2 4.01Å; L207-F211 WeakPolarHBondContact O-CD2 3.31Å; L207-F211 PolarHBondContact O-N 2.77Å; A208-F211 PolarHBondContact O-N 3.42Å
212L95.3Very high93.9Very high37 Ų3768 Ų6819%0.19433%0.329CS..SBendtrans-96.1143-171.3-57.2-177.2000111.9I178 Q182 L192 A208 A216 F217 I220I178-L212 HydrophobicContact CG2-CD2 4.17Å; Q182-L212 VanDerWaalsContact OE1-CA 3.22Å; L192-L212 HydrophobicContact CD2-CD1 4.15Å; A208-L212 HydrophobicContact CB-CD1 3.98Å; A208-L212 HydrophobicContact CB-CG 4.44Å; A208-L212 WeakPolarHBondContact O-CA 3.46Å; A208-L212 WeakPolarHBondContact O-CB 3.42Å; A208-L212 WeakPolarHBondContact O-CG 3.1Å; A208-L212 PolarHBondContact O-N 3.48Å; L212-A216 HydrophobicContact CB-CB 4.14Å; L212-A216 HydrophobicContact CD1-CB 4.48Å; L212-F217 HydrophobicContact CB-CB 4.32Å; L212-I220 HydrophobicContact CD1-CD1 4.01Å
213L95.1Very high94.1Very high74 Ų7460 Ų6039%0.38730%0.3SS..  trans-61.8149.5163.9-65.1179.4000109.3Q182 K215 A216 F217Q182-L213 HydrophobicContact CB-CD1 3.97Å; Q182-L213 HydrophobicContact CB-CG 4.29Å; L213-K215 VanDerWaalsContact C-N 3.28Å; L213-K215 HydrophobicContact CB-CG 4.34Å; L213-K215 PolarHBondContact O-N 3.12Å; L213-A216 PolarHBondContact O-N 3.45Å; L213-F217 PolarHBondContact O-N 3.41Å
214P95.4Very high93.9Very high91 Ų9162 Ų6259%0.59132%0.315SS*.Hα-helixtrans-49.2-46.6-179.2-3035.8000113.5A216 F217 E218P214-A216 VanDerWaalsContact C-N 3.27Å; P214-A216 PolarHBondContact O-N 3.03Å; P214-F217 WeakPolarHBondContact O-CB 3.27Å; P214-F217 PolarHBondContact O-N 3.38Å; P214-F217 VanDerWaalsContact O-N 3.11Å; P214-E218 WeakPolarHBondContact O-CG 3.38Å; P214-E218 PolarHBondContact O-N 2.7Å
215K94.1Very high93.5Very high62 Ų6265.2 Ų65.227%0.2733%0.334SS..Hα-helixtrans-63.3-24.2178.765.6177.6175.8176.70115.4L36 I186 E187 L213 K219L36-K215 VanDerWaalsContact CD2-NZ 3.32Å; I186-K215 HydrophobicContact CG1-CD 4.25Å; I186-K215 HydrophobicContact CG1-CG 4.16Å; I186-K215 HydrophobicContact CG2-CD 4.5Å; E187-K215 IonicContact OE1-NZ 2.71Å; E187-K215 PolarHBondContact OE1-NZ 2.95Å; L213-K215 VanDerWaalsContact C-N 3.28Å; L213-K215 HydrophobicContact CB-CG 4.34Å; L213-K215 PolarHBondContact O-N 3.12Å; K215-K219 WeakPolarHBondContact O-CD 3.44Å; K215-K219 WeakPolarHBondContact O-CE 3.44Å; K215-K219 WeakPolarHBondContact O-CG 3.43Å
216A96.6Very high93.2Very high1 Ų172.6 Ų72.61%0.00836%0.358CS..Hα-helixtrans-83.6-41.6172.800000110.6I186 L189 L212 L213 P214 E218 K219I186-A216 HydrophobicContact CD1-CB 3.42Å; I186-A216 VanDerWaalsContact CD1-CB 3.42Å; I186-A216 HydrophobicContact CG1-CB 4.36Å; L189-A216 HydrophobicContact CD2-CB 4.07Å; L212-A216 HydrophobicContact CB-CB 4.14Å; L212-A216 HydrophobicContact CD1-CB 4.48Å; L213-A216 PolarHBondContact O-N 3.45Å; P214-A216 VanDerWaalsContact C-N 3.27Å; P214-A216 PolarHBondContact O-N 3.03Å; A216-E218 VanDerWaalsContact C-N 3.28Å; A216-E218 PolarHBondContact O-N 2.68Å; A216-K219 WeakPolarHBondContact O-CB 3Å; A216-K219 PolarHBondContact O-N 2.93Å; A216-K219 VanDerWaalsContact O-N 3.08Å
217F97.5Very high93Very high63 Ų6372.3 Ų72.328%0.27636%0.36SS..Hα-helixtrans-60.1-39.1177.4-172.4-89.9000111.9L205 A208 K209 L212 L213 P214 K219 I220L205-F217 HydrophobicContact CD2-CE2 4.32Å; L205-F217 HydrophobicContact CD2-CZ 4.22Å; A208-F217 HydrophobicContact CB-CD2 3.98Å; A208-F217 HydrophobicContact CB-CE2 3.92Å; K209-F217 HydrophobicContact CB-CD2 4.21Å; K209-F217 HydrophobicContact CB-CE2 3.75Å; K209-F217 HydrophobicContact CB-CZ 4.28Å; L212-F217 HydrophobicContact CB-CB 4.32Å; L213-F217 PolarHBondContact O-N 3.41Å; P214-F217 WeakPolarHBondContact O-CB 3.27Å; P214-F217 PolarHBondContact O-N 3.38Å; P214-F217 VanDerWaalsContact O-N 3.11Å; F217-K219 PolarHBondContact O-N 2.85Å; F217-I220 HydrophobicContact CD2-CD1 3.78Å; F217-I220 HydrophobicContact CE2-CD1 4.06Å; F217-I220 HydrophobicContact CG-CD1 4.28Å; F217-I220 WeakPolarHBondContact O-CB 3.15Å; F217-I220 WeakPolarHBondContact O-CG1 3.33Å; F217-I220 PolarHBondContact O-N 3.48Å; F217-I220 VanDerWaalsContact O-N 3.16Å
218E97Very high93.3Very high156 Ų15672 Ų7273%0.72936%0.358SS*.THydrogen-bonded Turntrans-64.6-19.9175.8-74.2167.6-170.500113.9P214 A216 I220P214-E218 WeakPolarHBondContact O-CG 3.38Å; P214-E218 PolarHBondContact O-N 2.7Å; A216-E218 VanDerWaalsContact C-N 3.28Å; A216-E218 PolarHBondContact O-N 2.68Å; E218-I220 VanDerWaalsContact C-N 3.3Å
219K97.5Very high93.4Very high52 Ų5276.2 Ų76.223%0.22638%0.375CS..THydrogen-bonded Turntrans-86.90.7177.3-65172.8-176.3177.30113L189 L192 K215 A216 F217 Q221L189-K219 HydrophobicContact CB-CD 4.41Å; L189-K219 HydrophobicContact CD2-CB 4.46Å; L189-K219 HydrophobicContact CD2-CD 4.14Å; L189-K219 HydrophobicContact CG-CD 3.99Å; L189-K219 WeakPolarHBondContact O-CD 3.27Å; L189-K219 WeakPolarHBondContact O-CE 3.32Å; L189-K219 PolarHBondContact O-NZ 3.14Å; L192-K219 PolarHBondContact N-O 2.81Å; K215-K219 WeakPolarHBondContact O-CD 3.44Å; K215-K219 WeakPolarHBondContact O-CE 3.44Å; K215-K219 WeakPolarHBondContact O-CG 3.43Å; A216-K219 WeakPolarHBondContact O-CB 3Å; A216-K219 PolarHBondContact O-N 2.93Å; A216-K219 VanDerWaalsContact O-N 3.08Å; F217-K219 PolarHBondContact O-N 2.85Å; K219-Q221 PolarHBondContact O-N 2.87Å
220I98Very high93.5Very high27 Ų2774.8 Ų74.814%0.13837%0.37CS..EExtended strand (participates in β ladder)trans-70.8124.9176.4-67.2172.1000109.9L192 I194 F204 L205 A208 L212 F217 E218 I222L192-I220 HydrophobicContact CB-CG1 4.42Å; L192-I220 HydrophobicContact CD2-CD1 4.45Å; L192-I220 HydrophobicContact CD2-CG1 3.79Å; L192-I220 HydrophobicContact CG-CG1 4.17Å; L192-I220 CarbonylContact O-C 3.58Å; L192-I220 VanDerWaalsContact O-CA 3.27Å; L192-I220 WeakPolarHBondContact O-CA 3.23Å; I194-I220 HydrophobicContact CG1-CG2 3.88Å; F204-I220 HydrophobicContact CE1-CD1 4.33Å; L205-I220 HydrophobicContact CD2-CD1 4.29Å; L205-I220 HydrophobicContact CD2-CG2 4.13Å; A208-I220 HydrophobicContact CB-CD1 3.86Å; L212-I220 HydrophobicContact CD1-CD1 4.01Å; F217-I220 HydrophobicContact CD2-CD1 3.78Å; F217-I220 HydrophobicContact CE2-CD1 4.06Å; F217-I220 HydrophobicContact CG-CD1 4.28Å; F217-I220 WeakPolarHBondContact O-CB 3.15Å; F217-I220 WeakPolarHBondContact O-CG1 3.33Å; F217-I220 PolarHBondContact O-N 3.48Å; F217-I220 VanDerWaalsContact O-N 3.16Å; E218-I220 VanDerWaalsContact C-N 3.3Å; I220-I222 HydrophobicContact CG2-CG1 4.12Å
221Q96.7Very high93.8Very high70 Ų7072.5 Ų72.533%0.32736%0.359SS..EExtended strand (participates in β ladder)trans-119.9122.3171.3-60.1176.320.200108.2N191 L192 I193 I194 K219N191-Q221 PolarHBondContact OD1-NE2 2.97Å; L192-Q221 PolarHBondContact O-N 3.43Å; I193-Q221 CarbonylContact C-O 3.54Å; I193-Q221 WeakPolarHBondContact CA-O 3.14Å; I193-Q221 HydrophobicContact CG1-CB 4.46Å; I194-Q221 PolarHBondContact N-O 3.47Å; K219-Q221 PolarHBondContact O-N 2.87Å
222I96Very high94.1Very high77 Ų7771 Ų7140%0.39535%0.352SS..EExtended strand (participates in β ladder)trans-99.8120.2177-64.7159.7000108I194 V201 L205 I220I194-I222 HydrophobicContact CB-CG1 4.23Å; I194-I222 HydrophobicContact CG1-CG1 4.47Å; V201-I222 HydrophobicContact CG2-CD1 3.48Å; V201-I222 VanDerWaalsContact CG2-CD1 3.48Å; V201-I222 HydrophobicContact CG2-CG1 4.08Å; V201-I222 HydrophobicContact CG2-CG2 4.01Å; L205-I222 HydrophobicContact CD1-CD1 3.76Å; L205-I222 HydrophobicContact CD2-CD1 4.01Å; L205-I222 HydrophobicContact CG-CD1 4.1Å; I220-I222 HydrophobicContact CG2-CG1 4.12Å
223I94.9Very high94.2Very high16 Ų1672.6 Ų72.68%0.08236%0.361CS..PPolyproline II helixtrans-98.9126.7173.8-63.1-179.8000108.3I193 I194 V195 M228 L232I193-I223 HydrophobicContact CG2-CD1 3.46Å; I193-I223 VanDerWaalsContact CG2-CD1 3.46Å; I193-I223 HydrophobicContact CG2-CG1 3.94Å; I194-I223 PolarHBondContact O-N 2.69Å; V195-I223 HydrophobicContact CG1-CB 4.38Å; I223-M228 HydrophobicContact CG2-CB 4.22Å; I223-M228 HydrophobicContact CG2-CG 3.86Å; I223-L232 HydrophobicContact CD1-CD2 3.46Å; I223-L232 VanDerWaalsContact CD1-CD2 3.46Å; I223-L232 HydrophobicContact CD1-CG 3.71Å
224S86.5Confident94.2Very high72 Ų7272 Ų7250%0.50337%0.372SS..PPolyproline II helixtrans-70.8149.3177.455.70000111.7R226 M228S224-R226 PolarHBondContact O-N 2.96Å; S224-R226 PolarHBondContact OG-O 2.95Å; S224-M228 WeakPolarHBondContact O-CA 3.44Å; S224-M228 WeakPolarHBondContact O-CB 3.35Å
225D84.2Confident94.2Very high91 Ų9169.3 Ų69.349%0.48736%0.356SS..SBendtrans-62.2-32.5-179.7-50.8-20.1000112.5N196 D227 M228N196-D225 WeakPolarHBondContact CA-OD1 3.44Å; D225-D227 PolarHBondContact O-N 3.18Å; D225-M228 PolarHBondContact O-N 3.27Å
226R85.7Confident94.4Very high208 Ų20866.3 Ų66.379%0.78534%0.343SS*.THydrogen-bonded Turntrans-69.5114.9172-170.2-175.7-65.3-168.8-0.1108S224 M228S224-R226 PolarHBondContact O-N 2.96Å; S224-R226 PolarHBondContact OG-O 2.95Å; R226-M228 VanDerWaalsContact C-N 3.34Å
227D87.6Confident94.5Very high100 Ų10066.8 Ų66.854%0.53535%0.346SS..THydrogen-bonded Turntrans66.529-179-41.9-43000114.4D225 K229 E230 S231D225-D227 PolarHBondContact O-N 3.18Å; D227-K229 VanDerWaalsContact C-N 3.32Å; D227-K229 PolarHBondContact O-N 2.95Å; D227-E230 WeakPolarHBondContact CA-OE2 3.46Å; D227-E230 PolarHBondContact O-N 3.4Å; D227-S231 VanDerWaalsContact O-CB 3.28Å; D227-S231 WeakPolarHBondContact O-CB 3.47Å; D227-S231 PolarHBondContact O-N 3.44Å; D227-S231 PolarHBondContact O-OG 3.43Å
228M94.8Very high94.5Very high18 Ų1866.3 Ų66.39%0.08935%0.351CS..Hα-helixtrans-56.7-44.3-178.4-176.8-169.974.300112.6V195 N196 I223 S224 D225 R226 S231 L232 Y245V195-M228 HydrophobicContact CB-CG 4.43Å; V195-M228 HydrophobicContact CB-SD 3.73Å; V195-M228 HydrophobicContact CG1-CG 4.43Å; V195-M228 HydrophobicContact CG1-SD 4.3Å; V195-M228 HydrophobicContact CG2-SD 4.45Å; N196-M228 PolarHBondContact OD1-SD 3.19Å; I223-M228 HydrophobicContact CG2-CB 4.22Å; I223-M228 HydrophobicContact CG2-CG 3.86Å; S224-M228 WeakPolarHBondContact O-CA 3.44Å; S224-M228 WeakPolarHBondContact O-CB 3.35Å; D225-M228 PolarHBondContact O-N 3.27Å; R226-M228 VanDerWaalsContact C-N 3.34Å; M228-S231 PolarHBondContact O-N 2.75Å; M228-L232 HydrophobicContact CE-CD1 4.46Å; M228-L232 HydrophobicContact CG-CD1 3.92Å; M228-L232 HydrophobicContact CG-CG 4.48Å; M228-L232 WeakPolarHBondContact O-CB 3.3Å; M228-L232 WeakPolarHBondContact O-CG 3.31Å; M228-L232 PolarHBondContact O-N 3.36Å; M228-Y245 HydrophobicContact CE-CD1 4.16Å
229K95.8Very high94.5Very high96 Ų9663.3 Ų63.342%0.41734%0.34SS..Hα-helixtrans-66.7-45.9-175.7-65.7-170.8172.1-174.10111.2D227 L232 L233 L244 Y245D227-K229 VanDerWaalsContact C-N 3.32Å; D227-K229 PolarHBondContact O-N 2.95Å; K229-L232 PolarHBondContact O-N 2.9Å; K229-L233 WeakPolarHBondContact O-CG 3.1Å; K229-L233 PolarHBondContact O-N 3.34Å; K229-L244 VanDerWaalsContact CE-O 3.27Å; K229-L244 WeakPolarHBondContact CE-O 3.12Å; K229-L244 PolarHBondContact NZ-O 2.99Å; K229-Y245 WeakPolarHBondContact CG-O 3.48Å
230E95.3Very high94.6Very high128 Ų12860.9 Ų60.960%0.59833%0.329SS*.Hα-helixtrans-63.3-42.6176.1-65.177-170.500111.2D227 L233 G234D227-E230 WeakPolarHBondContact CA-OE2 3.46Å; D227-E230 PolarHBondContact O-N 3.4Å; E230-L233 PolarHBondContact O-N 3.3Å; E230-G234 PolarHBondContact O-N 3.49Å
231S95.2Very high94.6Very high52 Ų5259.6 Ų59.636%0.36432%0.322SS..Hα-helixtrans-65.5-41178.9-60.40000112.3D227 M228 L233 G234D227-S231 VanDerWaalsContact O-CB 3.28Å; D227-S231 WeakPolarHBondContact O-CB 3.47Å; D227-S231 PolarHBondContact O-N 3.44Å; D227-S231 PolarHBondContact O-OG 3.43Å; M228-S231 PolarHBondContact O-N 2.75Å; S231-L233 VanDerWaalsContact C-N 3.33Å; S231-L233 PolarHBondContact O-N 3.24Å; S231-G234 PolarHBondContact O-N 3.42Å; S231-G234 VanDerWaalsContact O-N 3.14Å
232L97.5Very high94.7Very high0 Ų056.2 Ų56.20%031%0.307CS..Hα-helixtrans-62.1-40.2175.9-81.7167.4000111.8I152 I193 V195 I223 M228 K229 G234 S235 V236 L241 Y245I152-L232 HydrophobicContact CD1-CD2 4.29Å; I193-L232 HydrophobicContact CG2-CD2 3.88Å; V195-L232 HydrophobicContact CG1-CD1 4.04Å; V195-L232 HydrophobicContact CG1-CD2 4Å; V195-L232 HydrophobicContact CG1-CG 4.35Å; I223-L232 HydrophobicContact CD1-CD2 3.46Å; I223-L232 VanDerWaalsContact CD1-CD2 3.46Å; I223-L232 HydrophobicContact CD1-CG 3.71Å; M228-L232 HydrophobicContact CE-CD1 4.46Å; M228-L232 HydrophobicContact CG-CD1 3.92Å; M228-L232 HydrophobicContact CG-CG 4.48Å; M228-L232 WeakPolarHBondContact O-CB 3.3Å; M228-L232 WeakPolarHBondContact O-CG 3.31Å; M228-L232 PolarHBondContact O-N 3.36Å; K229-L232 PolarHBondContact O-N 2.9Å; L232-G234 PolarHBondContact O-N 2.93Å; L232-S235 PolarHBondContact O-N 3.09Å; L232-V236 PolarHBondContact O-N 3.03Å; L232-L241 HydrophobicContact CB-CD1 4.36Å; L232-L241 HydrophobicContact CB-CD2 3.83Å; L232-L241 HydrophobicContact CD1-CD1 4.39Å; L232-Y245 HydrophobicContact CD1-CG 4.48Å
233L96.9Very high94.8Very high70 Ų7053.7 Ų53.737%0.36630%0.296SS..Hα-helixtrans-64.6-17.1176.6-72.7169.8000113.7K229 E230 S231 V236 L241K229-L233 WeakPolarHBondContact O-CG 3.1Å; K229-L233 PolarHBondContact O-N 3.34Å; E230-L233 PolarHBondContact O-N 3.3Å; S231-L233 VanDerWaalsContact C-N 3.33Å; S231-L233 PolarHBondContact O-N 3.24Å; L233-V236 WeakPolarHBondContact CA-O 3.34Å; L233-L241 HydrophobicContact CD2-CD2 3.92Å; L233-L241 HydrophobicContact CG-CD2 4.16Å
234G94.6Very high94.9Very high61 Ų6156.1 Ų56.163%0.62931%0.308SS*.THydrogen-bonded Turntrans-76.9-20170.300000114E230 S231 L232E230-G234 PolarHBondContact O-N 3.49Å; S231-G234 PolarHBondContact O-N 3.42Å; S231-G234 VanDerWaalsContact O-N 3.14Å; L232-G234 PolarHBondContact O-N 2.93Å
235S95.8Very high95.4Very high35 Ų3552.7 Ų52.725%0.24529%0.285CS..THydrogen-bonded Turntrans-114.2-25.5-176.1-54.70000113.2N92 L232N92-S235 PolarHBondContact ND2-O 2.76Å; L232-S235 PolarHBondContact O-N 3.09Å
236V98.1Very high96Very high0 Ų049.7 Ų49.70%028%0.275CS..SBendtrans-132.4128.3-176.2-172.90000109.5N92 V99 T150 I152 I193 L232 L233 A240 L241N92-V236 WeakPolarHBondContact OD1-CA 3.45Å; V99-V236 HydrophobicContact CG2-CG1 3.9Å; T150-V236 HydrophobicContact CG2-CG2 4.13Å; I152-V236 HydrophobicContact CD1-CG2 4.19Å; I193-V236 HydrophobicContact CD1-CG2 3.96Å; L232-V236 PolarHBondContact O-N 3.03Å; L233-V236 WeakPolarHBondContact CA-O 3.34Å; V236-A240 HydrophobicContact CG1-CB 4.06Å; V236-L241 HydrophobicContact CB-CD1 4.37Å; V236-L241 HydrophobicContact CG1-CB 4.02Å; V236-L241 HydrophobicContact CG1-CD1 4.31Å
237S98.2Very high96.6Very high10 Ų1040.4 Ų40.47%0.0724%0.244CC..  trans-62.3147179.164.90000111.6N92 T93 D239 A240 L241N92-S237 PolarHBondContact OD1-N 3.31Å; T93-S237 PolarHBondContact N-OG 2.93Å; T93-S237 VanDerWaalsContact N-OG 3.12Å; T93-S237 WeakPolarHBondContact OG1-CB 3.5Å; T93-S237 PolarHBondContact OG1-OG 2.65Å; S237-D239 VanDerWaalsContact C-N 3.26Å; S237-D239 WeakPolarHBondContact CB-OD1 3.5Å; S237-D239 PolarHBondContact O-N 3Å; S237-D239 PolarHBondContact OG-OD1 3.26Å; S237-A240 CarbonylContact O-C 3.33Å; S237-A240 WeakPolarHBondContact O-CA 3.11Å; S237-A240 PolarHBondContact O-N 3.02Å; S237-A240 WeakPolarHBondContact OG-CB 3.25Å; S237-L241 WeakPolarHBondContact O-CB 3.48Å; S237-L241 PolarHBondContact O-N 2.88Å; S237-L241 VanDerWaalsContact O-N 3.12Å
238S98.2Very high97.1Very high54 Ų5439.1 Ų39.138%0.37824%0.243SC..G310 helixtrans-56.8-39.1-174-1700000112.9A240 L241 G247 S248S238-A240 VanDerWaalsContact C-N 3.25Å; S238-A240 PolarHBondContact O-N 3.14Å; S238-L241 PolarHBondContact O-N 3.05Å; S238-G247 CarbonylContact O-C 3.6Å; S238-G247 WeakPolarHBondContact O-CA 3.39Å; S238-S248 PolarHBondContact O-N 3.49Å; S238-S248 PolarHBondContact O-OG 2.86Å
239D97.6Very high97.2Very high93 Ų9338.7 Ų38.750%0.49724%0.24SC..G310 helixtrans-70.8-17.1177.662.7-31000114.4S237 S248S237-D239 VanDerWaalsContact C-N 3.26Å; S237-D239 WeakPolarHBondContact CB-OD1 3.5Å; S237-D239 PolarHBondContact O-N 3Å; S237-D239 PolarHBondContact OG-OD1 3.26Å; D239-S248 WeakPolarHBondContact CA-OG 3.09Å
240A98.2Very high97.3Very high0 Ų039.2 Ų39.20%024%0.242CC..G310 helixtrans-103.80176.500000113.5V90 V91 N92 V99 V236 S237 S238V90-A240 HydrophobicContact CG1-CB 3.92Å; V91-A240 WeakPolarHBondContact O-CB 3.29Å; N92-A240 HydrophobicContact CB-CB 4.38Å; V99-A240 HydrophobicContact CG2-CB 3.87Å; V236-A240 HydrophobicContact CG1-CB 4.06Å; S237-A240 CarbonylContact O-C 3.33Å; S237-A240 WeakPolarHBondContact O-CA 3.11Å; S237-A240 PolarHBondContact O-N 3.02Å; S237-A240 WeakPolarHBondContact OG-CB 3.25Å; S238-A240 VanDerWaalsContact C-N 3.25Å; S238-A240 PolarHBondContact O-N 3.14Å
241L98.4Very high97.3Very high0 Ų034 Ų340%022%0.218CC..SBendtrans-111.6126-178-17568.3000110I152 L232 L233 V236 S237 S238 Y245 G247 S248 W249I152-L241 HydrophobicContact CD1-CD1 3.48Å; I152-L241 VanDerWaalsContact CD1-CD1 3.48Å; L232-L241 HydrophobicContact CB-CD1 4.36Å; L232-L241 HydrophobicContact CB-CD2 3.83Å; L232-L241 HydrophobicContact CD1-CD1 4.39Å; L233-L241 HydrophobicContact CD2-CD2 3.92Å; L233-L241 HydrophobicContact CG-CD2 4.16Å; V236-L241 HydrophobicContact CB-CD1 4.37Å; V236-L241 HydrophobicContact CG1-CB 4.02Å; V236-L241 HydrophobicContact CG1-CD1 4.31Å; S237-L241 WeakPolarHBondContact O-CB 3.48Å; S237-L241 PolarHBondContact O-N 2.88Å; S237-L241 VanDerWaalsContact O-N 3.12Å; S238-L241 PolarHBondContact O-N 3.05Å; L241-Y245 WeakPolarHBondContact CD2-O 3.42Å; L241-G247 CarbonylContact O-C 3.47Å; L241-G247 WeakPolarHBondContact O-CA 3.41Å; L241-S248 PolarHBondContact O-N 2.8Å; L241-W249 VanDerWaalsContact O-CB 3.3Å; L241-W249 WeakPolarHBondContact O-CB 3.3Å; L241-W249 PolarHBondContact O-N 3.21Å
242P98.3Very high97.3Very high0 Ų037.8 Ų37.80%023%0.234CC..BIsolated β-bridgetrans-58.8148.4178.3-21.929000112.8I101 L244 Y245 G246 G247 W249 L260 C262I101-P242 HydrophobicContact CD1-CG 3.76Å; I101-P242 HydrophobicContact CG1-CG 3.65Å; P242-L244 PolarHBondContact O-N 3.02Å; P242-Y245 HydrophobicContact CB-CD2 3.7Å; P242-Y245 HydrophobicContact CB-CE2 4.11Å; P242-Y245 HydrophobicContact CG-CD2 3.67Å; P242-Y245 HydrophobicContact CG-CE2 3.92Å; P242-Y245 CarbonylContact O-C 3.48Å; P242-Y245 WeakPolarHBondContact O-CA 3.34Å; P242-Y245 PolarHBondContact O-N 3.41Å; P242-G246 PolarHBondContact O-N 2.79Å; P242-G247 PolarHBondContact O-N 3.38Å; P242-W249 CarbonylContact C-O 3.37Å; P242-W249 WeakPolarHBondContact CA-O 3.36Å; P242-W249 HydrophobicContact CB-CE3 4.47Å; P242-W249 VanDerWaalsContact CD-CE3 3.46Å; P242-W249 HydrophobicContact CG-CD2 4.28Å; P242-W249 HydrophobicContact CG-CE3 3.57Å; P242-W249 HydrophobicContact CG-CZ3 3.83Å; P242-L260 VanDerWaalsContact CB-O 3.25Å; P242-L260 WeakPolarHBondContact CB-O 3.4Å; P242-C262 HydrophobicContact CB-CB 4.44Å; P242-C262 HydrophobicContact CG-CB 4.28Å
243S98.1Very high96.9Very high23 Ų2345.5 Ų45.516%0.16128%0.275CS..G310 helixtrans-60.6-27.7-179.863.10000114.5Y245 G246 G247 W249 K250 L260S243-Y245 PolarHBondContact O-N 2.83Å; S243-G246 PolarHBondContact O-N 3.36Å; S243-G246 VanDerWaalsContact O-N 3.16Å; S243-G247 VanDerWaalsContact CA-O 3.3Å; S243-G247 WeakPolarHBondContact CA-O 3.43Å; S243-W249 PolarHBondContact N-O 3.12Å; S243-K250 WeakPolarHBondContact OG-CE 3.27Å; S243-L260 PolarHBondContact N-O 3.46Å; S243-L260 WeakPolarHBondContact OG-CA 3.38Å; S243-L260 WeakPolarHBondContact OG-CD2 3.5Å; S243-L260 PolarHBondContact OG-O 3.24Å
244L97.1Very high96.6Very high67 Ų6745 Ų4535%0.35128%0.275SS..G310 helixtrans-55.2-38.6170.5-179.562.5000111.7K229 P242 L260K229-L244 VanDerWaalsContact CE-O 3.27Å; K229-L244 WeakPolarHBondContact CE-O 3.12Å; K229-L244 PolarHBondContact NZ-O 2.99Å; P242-L244 PolarHBondContact O-N 3.02Å; L244-L260 HydrophobicContact CB-CB 4.36Å; L244-L260 VanDerWaalsContact CB-O 3.28Å; L244-L260 WeakPolarHBondContact CB-O 3.03Å; L244-L260 PolarHBondContact N-O 3.39Å
245Y97.6Very high96.4Very high1 Ų149.8 Ų49.80%0.00428%0.28CS..G310 helixtrans-94.69.2-177.8-52.8-66000113.9I101 Q103 D154 V195 M228 K229 L232 L241 P242 S243I101-Y245 HydrophobicContact CG2-CE2 3.74Å; Q103-Y245 WeakPolarHBondContact CG-OH 3.49Å; Q103-Y245 PolarHBondContact NE2-OH 3.34Å; D154-Y245 HydrophobicContact CB-CE1 4.46Å; D154-Y245 WeakPolarHBondContact OD2-CE1 3.32Å; D154-Y245 PolarHBondContact OD2-OH 3.47Å; V195-Y245 HydrophobicContact CG2-CE1 4.17Å; M228-Y245 HydrophobicContact CE-CD1 4.16Å; K229-Y245 WeakPolarHBondContact CG-O 3.48Å; L232-Y245 HydrophobicContact CD1-CG 4.48Å; L241-Y245 WeakPolarHBondContact CD2-O 3.42Å; P242-Y245 HydrophobicContact CB-CD2 3.7Å; P242-Y245 HydrophobicContact CB-CE2 4.11Å; P242-Y245 HydrophobicContact CG-CD2 3.67Å; P242-Y245 HydrophobicContact CG-CE2 3.92Å; P242-Y245 CarbonylContact O-C 3.48Å; P242-Y245 WeakPolarHBondContact O-CA 3.34Å; P242-Y245 PolarHBondContact O-N 3.41Å; S243-Y245 PolarHBondContact O-N 2.83Å
246G96.9Very high96.2Very high28 Ų2851.5 Ų51.529%0.28929%0.287SS..THydrogen-bonded Turntrans96.72.6175.600000115.8P242 S243P242-G246 PolarHBondContact O-N 2.79Å; S243-G246 PolarHBondContact O-N 3.36Å; S243-G246 VanDerWaalsContact O-N 3.16Å
247G98.2Very high96.1Very high13 Ų1352 Ų5213%0.13429%0.29CS..SBendtrans-89.3-164.7172.700000114S238 L241 P242 S243S238-G247 CarbonylContact O-C 3.6Å; S238-G247 WeakPolarHBondContact O-CA 3.39Å; L241-G247 CarbonylContact O-C 3.47Å; L241-G247 WeakPolarHBondContact O-CA 3.41Å; P242-G247 PolarHBondContact O-N 3.38Å; S243-G247 VanDerWaalsContact CA-O 3.3Å; S243-G247 WeakPolarHBondContact CA-O 3.43Å
248S98Very high96Very high72 Ų7254.1 Ų54.150%0.50330%0.3SS..SBendtrans-110.5-6.4179.662.20000114S238 D239 L241 K250S238-S248 PolarHBondContact O-N 3.49Å; S238-S248 PolarHBondContact O-OG 2.86Å; D239-S248 WeakPolarHBondContact CA-OG 3.09Å; L241-S248 PolarHBondContact O-N 2.8Å; S248-K250 PolarHBondContact O-N 3.01Å
249W97.8Very high96Very high10 Ų1053.9 Ų53.94%0.03830%0.298CS..BIsolated β-bridgetrans-67128177.7176.523.9000111K87 V90 V99 I101 L241 P242 S243 E251 C262K87-W249 HydrophobicContact CB-CZ2 4.19Å; V90-W249 HydrophobicContact CB-CH2 4.23Å; V90-W249 HydrophobicContact CB-CZ2 4.43Å; V90-W249 HydrophobicContact CB-CZ3 4.33Å; V90-W249 HydrophobicContact CG1-CD2 3.92Å; V90-W249 HydrophobicContact CG1-CE3 3.67Å; V90-W249 HydrophobicContact CG1-CH2 4.15Å; V90-W249 HydrophobicContact CG1-CZ2 4.4Å; V90-W249 HydrophobicContact CG1-CZ3 3.78Å; V90-W249 HydrophobicContact CG2-CD2 4.36Å; V90-W249 HydrophobicContact CG2-CH2 3.85Å; V90-W249 HydrophobicContact CG2-CZ2 3.59Å; V90-W249 HydrophobicContact CG2-CZ3 4.34Å; V99-W249 HydrophobicContact CG1-CZ3 4.3Å; I101-W249 HydrophobicContact CD1-CZ3 4.11Å; I101-W249 HydrophobicContact CG1-CH2 4.07Å; I101-W249 HydrophobicContact CG1-CZ3 3.7Å; L241-W249 VanDerWaalsContact O-CB 3.3Å; L241-W249 WeakPolarHBondContact O-CB 3.3Å; L241-W249 PolarHBondContact O-N 3.21Å; P242-W249 CarbonylContact C-O 3.37Å; P242-W249 WeakPolarHBondContact CA-O 3.36Å; P242-W249 HydrophobicContact CB-CE3 4.47Å; P242-W249 VanDerWaalsContact CD-CE3 3.46Å; P242-W249 HydrophobicContact CG-CD2 4.28Å; P242-W249 HydrophobicContact CG-CE3 3.57Å; P242-W249 HydrophobicContact CG-CZ3 3.83Å; S243-W249 PolarHBondContact N-O 3.12Å; W249-E251 PolarHBondContact NE1-OE1 3.2Å; W249-C262 HydrophobicContact CD2-CB 4.08Å; W249-C262 VanDerWaalsContact CE2-SG 3.56Å; W249-C262 HydrophobicContact CE3-CB 4.47Å; W249-C262 HydrophobicContact CH2-CB 3.97Å; W249-C262 HydrophobicContact CZ2-CB 3.46Å; W249-C262 VanDerWaalsContact CZ2-CB 3.46Å; W249-C262 HydrophobicContact CZ3-CB 4.43Å
250K97.5Very high96Very high107 Ų10753.5 Ų53.547%0.46530%0.295SS..  trans-139.9151.9174.5-63.9179.5-177.1175.80110.3S243 S248 L252 P259S243-K250 WeakPolarHBondContact OG-CE 3.27Å; S248-K250 PolarHBondContact O-N 3.01Å; K250-L252 HydrophobicContact CB-CG 4.47Å; K250-P259 VanDerWaalsContact CA-O 3.23Å; K250-P259 WeakPolarHBondContact CA-O 3.34Å; K250-P259 WeakPolarHBondContact CB-O 3.16Å
251E95.5Very high95.9Very high18 Ų1853.5 Ų53.58%0.08430%0.295CS..  trans-116.986.7173.8-63.6-62.4167.900110K87 W249 V254 V257 P259 C262K87-E251 WeakPolarHBondContact CB-OE1 3.35Å; K87-E251 WeakPolarHBondContact CD-OE1 3.35Å; K87-E251 IonicContact NZ-OE1 3.26Å; W249-E251 PolarHBondContact NE1-OE1 3.2Å; E251-V254 HydrophobicContact CB-CB 4.29Å; E251-V254 HydrophobicContact CB-CG2 4.16Å; E251-V254 HydrophobicContact CG-CG2 4.49Å; E251-V254 WeakPolarHBondContact OE2-CG2 3.45Å; E251-V257 HydrophobicContact CB-CG1 3.78Å; E251-V257 HydrophobicContact CG-CG1 3.98Å; E251-P259 PolarHBondContact N-O 3.16Å; E251-P259 VanDerWaalsContact O-CA 3.3Å; E251-P259 WeakPolarHBondContact O-CA 3.39Å; E251-P259 VanDerWaalsContact O-CB 3.3Å; E251-P259 WeakPolarHBondContact O-CB 3.47Å; E251-C262 HydrophobicContact CG-CB 3.78Å
252L94.2Very high95.9Very high132 Ų13253.6 Ų53.669%0.69130%0.296SS*.SBendtrans-84.8-28-177.4-61.2178.3000113K250 P259K250-L252 HydrophobicContact CB-CG 4.47Å; L252-P259 HydrophobicContact CD2-CB 3.93Å
253D89.9Confident95.9Very high162 Ų16253.6 Ų53.687%0.86630%0.296SS*.SBendtrans-107.611.6-170.6-54.7-51000113.1
254V89.9Confident95.8Very high60 Ų6052.8 Ų52.836%0.36429%0.29SS..  trans-107116.6-178.5-171.30000109.9E251 V257E251-V254 HydrophobicContact CB-CB 4.29Å; E251-V254 HydrophobicContact CB-CG2 4.16Å; E251-V254 HydrophobicContact CG-CG2 4.49Å; E251-V254 WeakPolarHBondContact OE2-CG2 3.45Å; V254-V257 HydrophobicContact CB-CB 4.12Å; V254-V257 HydrophobicContact CB-CG2 4.23Å; V254-V257 HydrophobicContact CG1-CB 4Å; V254-V257 HydrophobicContact CG1-CG2 3.55Å
255E89.9Confident95.7Very high160 Ų16053.7 Ų53.775%0.74829%0.294SS*.THydrogen-bonded Turntrans-63.9146178-157-164.2138.600111.4V257E255-V257 PolarHBondContact O-N 3.21Å; E255-V257 VanDerWaalsContact O-N 3.14Å
256N93Very high95.5Very high71 Ų7155.3 Ų55.338%0.3830%0.303SS..THydrogen-bonded Turntrans57.824.7177.6-57.7-61.3000114.2T264 I265N256-T264 CarbonylContact O-C 3.39Å; N256-T264 WeakPolarHBondContact O-CA 3.32Å; N256-I265 PolarHBondContact O-N 3.3Å
257V96Very high95.4Very high11 Ų1159.6 Ų59.67%0.06731%0.311CS..BIsolated β-bridgetrans-119.9137.5172.9171.20000109.3V86 E251 V254 E255 P259 C263 T264V86-V257 HydrophobicContact CG2-CG2 4.12Å; E251-V257 HydrophobicContact CB-CG1 3.78Å; E251-V257 HydrophobicContact CG-CG1 3.98Å; V254-V257 HydrophobicContact CB-CB 4.12Å; V254-V257 HydrophobicContact CB-CG2 4.23Å; V254-V257 HydrophobicContact CG1-CB 4Å; V254-V257 HydrophobicContact CG1-CG2 3.55Å; E255-V257 PolarHBondContact O-N 3.21Å; E255-V257 VanDerWaalsContact O-N 3.14Å; V257-P259 WeakPolarHBondContact O-CD 3.29Å; V257-C263 WeakPolarHBondContact CA-O 3.42Å; V257-T264 HydrophobicContact CG2-CG2 4.27Å
258N96.7Very high95.1Very high54 Ų5464.8 Ų64.829%0.28934%0.342SS..  trans-72122.1172.9-178.1-56.1000108.9L260 S261 C262 C263 I265N258-L260 PolarHBondContact O-N 3.01Å; N258-L260 VanDerWaalsContact O-N 3.14Å; N258-L260 PolarHBondContact OD1-N 3Å; N258-S261 PolarHBondContact OD1-N 3.32Å; N258-C262 VanDerWaalsContact O-CA 3.22Å; N258-C262 WeakPolarHBondContact O-CA 3.42Å; N258-C262 PolarHBondContact O-N 3.4Å; N258-C263 PolarHBondContact N-O 2.91Å; N258-I265 HydrophobicContact CB-CG1 4.31Å
259P97Very high95Very high50 Ų5063.1 Ų63.133%0.32533%0.327SS..THydrogen-bonded Turntrans-66.1-20.5-173.524.2-34.5000114.2K250 E251 L252 V257K250-P259 VanDerWaalsContact CA-O 3.23Å; K250-P259 WeakPolarHBondContact CA-O 3.34Å; K250-P259 WeakPolarHBondContact CB-O 3.16Å; E251-P259 PolarHBondContact N-O 3.16Å; E251-P259 VanDerWaalsContact O-CA 3.3Å; E251-P259 WeakPolarHBondContact O-CA 3.39Å; E251-P259 VanDerWaalsContact O-CB 3.3Å; E251-P259 WeakPolarHBondContact O-CB 3.47Å; L252-P259 HydrophobicContact CD2-CB 3.93Å; V257-P259 WeakPolarHBondContact O-CD 3.29Å
260L97.4Very high94.8Very high84 Ų8465.4 Ų65.444%0.4434%0.343SS..THydrogen-bonded Turntrans-96.4-38-174.9-56.6-178000113P242 S243 L244 N258P242-L260 VanDerWaalsContact CB-O 3.25Å; P242-L260 WeakPolarHBondContact CB-O 3.4Å; S243-L260 PolarHBondContact N-O 3.46Å; S243-L260 WeakPolarHBondContact OG-CA 3.38Å; S243-L260 WeakPolarHBondContact OG-CD2 3.5Å; S243-L260 PolarHBondContact OG-O 3.24Å; L244-L260 HydrophobicContact CB-CB 4.36Å; L244-L260 VanDerWaalsContact CB-O 3.28Å; L244-L260 WeakPolarHBondContact CB-O 3.03Å; L244-L260 PolarHBondContact N-O 3.39Å; N258-L260 PolarHBondContact O-N 3.01Å; N258-L260 VanDerWaalsContact O-N 3.14Å; N258-L260 PolarHBondContact OD1-N 3Å
261S97Very high94.5Very high1 Ų169.9 Ų69.91%0.00737%0.365CS..THydrogen-bonded Turntrans-91.3-14.7175.278.90000113.3R83 Q103 N258 C263R83-S261 PolarHBondContact NH2-OG 3.26Å; Q103-S261 PolarHBondContact OE1-OG 2.87Å; N258-S261 PolarHBondContact OD1-N 3.32Å; S261-C263 PolarHBondContact O-N 3.2Å; S261-C263 VanDerWaalsContact O-N 3.16Å; S261-C263 PolarHBondContact OG-N 2.7Å
262C97.9Very high94.2Very high1 Ų172.3 Ų72.31%0.00739%0.389CS..  trans62.413.1-177.1-52.80000114S85 P242 W249 E251 N258S85-C262 VanDerWaalsContact CA-O 3.24Å; S85-C262 WeakPolarHBondContact CA-O 3.5Å; S85-C262 WeakPolarHBondContact CB-O 3.39Å; P242-C262 HydrophobicContact CB-CB 4.44Å; P242-C262 HydrophobicContact CG-CB 4.28Å; W249-C262 HydrophobicContact CD2-CB 4.08Å; W249-C262 VanDerWaalsContact CE2-SG 3.56Å; W249-C262 HydrophobicContact CE3-CB 4.47Å; W249-C262 HydrophobicContact CH2-CB 3.97Å; W249-C262 HydrophobicContact CZ2-CB 3.46Å; W249-C262 VanDerWaalsContact CZ2-CB 3.46Å; W249-C262 HydrophobicContact CZ3-CB 4.43Å; E251-C262 HydrophobicContact CG-CB 3.78Å; N258-C262 VanDerWaalsContact O-CA 3.22Å; N258-C262 WeakPolarHBondContact O-CA 3.42Å; N258-C262 PolarHBondContact O-N 3.4Å
263C97.6Very high93.9Very high0 Ų067.5 Ų67.50%037%0.368CS..BIsolated β-bridgetrans-97.2151177.4-67.60000112.8R83 L84 I101 V257 N258 S261R83-C263 HydrophobicContact CB-CB 4.09Å; L84-C263 CarbonylContact O-C 3.57Å; L84-C263 VanDerWaalsContact O-CA 3.3Å; L84-C263 WeakPolarHBondContact O-CA 3.47Å; I101-C263 VanDerWaalsContact CG2-SG 3.51Å; V257-C263 WeakPolarHBondContact CA-O 3.42Å; N258-C263 PolarHBondContact N-O 2.91Å; S261-C263 PolarHBondContact O-N 3.2Å; S261-C263 VanDerWaalsContact O-N 3.16Å; S261-C263 PolarHBondContact OG-N 2.7Å
264T96.7Very high93.7Very high7 Ų764.4 Ų64.44%0.04337%0.365CS..BIsolated β-bridgetrans-51.9146.6169.346.50000112.5M70 I79 I82 R83 L84 V86 N256 V257M70-T264 HydrophobicContact CE-CG2 4.21Å; I79-T264 HydrophobicContact CD1-CG2 4.31Å; I79-T264 HydrophobicContact CG1-CG2 4.25Å; I82-T264 PolarHBondContact O-OG1 3Å; R83-T264 WeakPolarHBondContact CA-OG1 3.41Å; R83-T264 WeakPolarHBondContact CB-O 3.37Å; L84-T264 PolarHBondContact N-OG1 2.94Å; L84-T264 VanDerWaalsContact N-OG1 3.08Å; L84-T264 PolarHBondContact O-N 2.72Å; L84-T264 PolarHBondContact O-OG1 3.07Å; V86-T264 HydrophobicContact CG1-CG2 3.81Å; V86-T264 HydrophobicContact CG2-CG2 4.3Å; N256-T264 CarbonylContact O-C 3.39Å; N256-T264 WeakPolarHBondContact O-CA 3.32Å; V257-T264 HydrophobicContact CG2-CG2 4.27Å
265I95.4Very high93.5Very high86 Ų8667.6 Ų67.644%0.44139%0.39SS..PPolyproline II helixtrans-96.8123.1175.1-58.6173.6000107.5N256 N258 R267N256-I265 PolarHBondContact O-N 3.3Å; N258-I265 HydrophobicContact CB-CG1 4.31Å; I265-R267 PolarHBondContact O-N 2.93Å
266N93.9Very high93.4Very high35 Ų3561.9 Ų61.919%0.18737%0.367CS..PPolyproline II helixtrans-59.5134.2179.6-69.3-10.9000111.5Y81 I82 R83 K106 T107Y81-N266 PolarHBondContact O-OD1 3.5Å; I82-N266 WeakPolarHBondContact CA-OD1 3.35Å; I82-N266 PolarHBondContact N-OD1 3.22Å; I82-N266 PolarHBondContact O-OD1 3.27Å; R83-N266 WeakPolarHBondContact CG-OD1 3.26Å; K106-N266 PolarHBondContact O-ND2 2.87Å; T107-N266 WeakPolarHBondContact CA-ND2 3.36Å; T107-N266 PolarHBondContact N-ND2 3.33Å; T107-N266 PolarHBondContact OG1-ND2 3.19Å
267R93.3Very high93.4Very high118 Ų11863.5 Ų63.545%0.44538%0.376SS..PPolyproline II helixtrans-82.2153.4161.1-64.2-171.6178.7172-2.4109.8Q80 I265 I269Q80-R267 HydrophobicContact CB-CG 4.37Å; Q80-R267 PolarHBondContact O-N 3.45Å; I265-R267 PolarHBondContact O-N 2.93Å; R267-I269 PolarHBondContact O-N 2.83Å
268P93.6Very high93.4Very high121 Ų12163.5 Ų63.579%0.78638%0.376SS*.PPolyproline II helixtrans-54.3132.5170.3-24.834.7000111
269I94.5Very high93.2Very high38 Ų3868.1 Ų68.120%0.19540%0.395CS..PPolyproline II helixtrans-73.8130.1174.8-61.7175.7000107.8Y81 D108 A111 L112 V115 R267Y81-I269 HydrophobicContact CD1-CB 4.48Å; Y81-I269 HydrophobicContact CD1-CG1 3.74Å; Y81-I269 HydrophobicContact CE1-CG1 4.4Å; Y81-I269 HydrophobicContact CG-CG1 4.15Å; D108-I269 HydrophobicContact CB-CD1 4.19Å; D108-I269 WeakPolarHBondContact O-CD1 3.24Å; A111-I269 HydrophobicContact CB-CB 4.36Å; A111-I269 HydrophobicContact CB-CD1 4.11Å; A111-I269 HydrophobicContact CB-CG2 4.01Å; L112-I269 HydrophobicContact CB-CD1 4Å; V115-I269 HydrophobicContact CG1-CG2 4.1Å; V115-I269 HydrophobicContact CG2-CG2 3.62Å; R267-I269 PolarHBondContact O-N 2.83Å
270P93.7Very high93Very high57 Ų5766.5 Ų66.537%0.3739%0.386SS..PPolyproline II helixtrans-57153.6175.6-24.634.2000112.3Y81 V115 A272Y81-P270 WeakPolarHBondContact OH-CD 3.4Å; V115-P270 HydrophobicContact CG1-CB 4.45Å; V115-P270 VanDerWaalsContact CG1-O 3.28Å; V115-P270 WeakPolarHBondContact CG1-O 3.35Å; P270-A272 PolarHBondContact O-N 2.8Å
271E90.9Very high92.8Very high201 Ų20166.2 Ų66.294%0.93940%0.396SS*.SBendtrans-69.3-24.2177.9-65.4-176.8175.200113.1
272A89.4Confident92.8Very high70 Ų7068.7 Ų68.758%0.57941%0.413SS*.SBendtrans-145.4152.7-17900000111.4P270P270-A272 PolarHBondContact O-N 2.8Å
273A88Confident92.8Very high30 Ų3078.4 Ų78.425%0.24845%0.45CS..PPolyproline II helixtrans-61.4161.4168.400000111.1S275 K345A273-S275 PolarHBondContact O-N 2.84Å; A273-K345 WeakPolarHBondContact CB-O 3.4Å
274A86Confident92.8Very high98 Ų9880.3 Ų80.381%0.8146%0.458SS*.PPolyproline II helixtrans-54.7137169.100000110.5
275S85.8Confident92.8Very high126 Ų12683.5 Ų83.588%0.88148%0.481SS*.PPolyproline II helixtrans-67.1143.2-179.5550000111.2A273A273-S275 PolarHBondContact O-N 2.84Å
276C88.7Confident92.8Very high41 Ų4180 Ų8028%0.27746%0.463SS..  trans-120.3124.9171.6-175.70000108.5I307 V349C276-I307 HydrophobicContact CB-CD1 4.4Å; C276-V349 HydrophobicContact CB-CG1 3.89Å
277D92.1Very high92.9Very high105 Ų10579.4 Ų79.456%0.56147%0.466SS*.  trans-83.9-13.1179.560.3-29.7000113.2R305D277-R305 IonicContact OD1-CZ 2.9Å; D277-R305 IonicContact OD1-NH1 3.91Å; D277-R305 PolarHBondContact OD1-NH1 3.06Å; D277-R305 IonicContact OD1-NH2 3.95Å; D277-R305 PolarHBondContact OD1-NH2 3.16Å; D277-R305 IonicContact OD2-CZ 3.57Å; D277-R305 IonicContact OD2-NH1 3.96Å; D277-R305 IonicContact OD2-NH2 3.04Å; D277-R305 PolarHBondContact OD2-NH2 2.79Å
278I95.4Very high93Very high11 Ų1175.9 Ų75.96%0.05646%0.461CS..  trans-76.2131.1-179.3-49.8171.1000109.9R305 I307 V381I278-R305 HydrophobicContact CD1-CB 3.51Å; I278-I307 HydrophobicContact CB-CB 4.39Å; I278-I307 HydrophobicContact CB-CG2 3.78Å; I278-I307 HydrophobicContact CG2-CG2 3.57Å; I278-V381 HydrophobicContact CD1-CG2 3.84Å; I278-V381 HydrophobicContact CG1-CG1 4.38Å; I278-V381 HydrophobicContact CG1-CG2 3.97Å; I278-V381 HydrophobicContact CG2-CG1 4.37Å
279Q93.3Very high92.9Very high150 Ų15071.3 Ų71.370%0.70144%0.436SS*.  trans-88.8130174.2-64.5-61.9-3800111.1A281 G379Q279-A281 PolarHBondContact O-N 2.83Å; Q279-G379 WeakPolarHBondContact O-CA 3.41Å
280A93.7Very high93Very high17 Ų1775.9 Ų75.914%0.1446%0.455CS..  trans-76.263.4173.200000111.8I307 Y378A280-I307 HydrophobicContact CB-CG2 4.12Å; A280-Y378 CarbonylContact C-O 3.47Å; A280-Y378 VanDerWaalsContact C-O 3.31Å; A280-Y378 WeakPolarHBondContact CA-O 3.38Å
281A92.1Very high93.2Very high78 Ų7876.4 Ų76.465%0.64546%0.457SS*.  trans-75-32.9-16900000114Q279 Y378Q279-A281 PolarHBondContact O-N 2.83Å; A281-Y378 PolarHBondContact N-O 3.2Å
282S97Very high93.5Very high53 Ų5371 Ų7137%0.37143%0.428SS..EExtended strand (participates in β ladder)trans-85141.7-178.3-660000110.8S377 Y378S282-S377 CarbonylContact O-C 3.46Å; S282-S377 WeakPolarHBondContact O-CA 3.4Å; S282-Y378 WeakPolarHBondContact CB-O 3.25Å; S282-Y378 PolarHBondContact N-O 3.48Å; S282-Y378 PolarHBondContact O-N 2.8Å
283R97.6Very high93.9Very high205 Ų20569.6 Ų69.677%0.77442%0.415SS*.EExtended strand (participates in β ladder)trans-138.1139.2-179.2-60.6-175.6-178.4122.70.7111.6I376R283-I376 VanDerWaalsContact CA-O 3.31Å; R283-I376 WeakPolarHBondContact CA-O 3.41Å
284F97.4Very high94.4Very high39 Ų3968.5 Ų68.517%0.17141%0.406CS..EExtended strand (participates in β ladder)trans-150.8167.4173.861.8-84.4000111.4L286 Y292 F364 I376 Y378F284-L286 HydrophobicContact CD2-CD1 4.49Å; F284-L286 HydrophobicContact CD2-CD2 3.91Å; F284-L286 HydrophobicContact CD2-CG 3.77Å; F284-L286 HydrophobicContact CE2-CD1 3.73Å; F284-L286 HydrophobicContact CE2-CD2 3.84Å; F284-L286 HydrophobicContact CE2-CG 3.51Å; F284-Y292 HydrophobicContact CD1-CD1 4.1Å; F284-Y292 HydrophobicContact CD1-CE1 4.02Å; F284-Y292 HydrophobicContact CD2-CD1 4.28Å; F284-Y292 HydrophobicContact CD2-CG 4.13Å; F284-Y292 AromaticContact CE1-CD1 3.53Å; F284-Y292 HydrophobicContact CE1-CD1 3.53Å; F284-Y292 AromaticContact CE1-CE1 3.63Å; F284-Y292 HydrophobicContact CE1-CE1 3.63Å; F284-Y292 HydrophobicContact CE1-CG 4.31Å; F284-Y292 AromaticContact CE2-CD1 3.71Å; F284-Y292 HydrophobicContact CE2-CD1 3.71Å; F284-Y292 AromaticContact CE2-CG 3.79Å; F284-Y292 HydrophobicContact CE2-CG 3.79Å; F284-Y292 HydrophobicContact CG-CD1 4.45Å; F284-Y292 AromaticContact CZ-CD1 3.32Å; F284-Y292 HydrophobicContact CZ-CD1 3.32Å; F284-Y292 AromaticContact CZ-CE1 3.94Å; F284-Y292 HydrophobicContact CZ-CE1 3.94Å; F284-Y292 AromaticContact CZ-CG 3.92Å; F284-Y292 HydrophobicContact CZ-CG 3.92Å; F284-F364 HydrophobicContact CE1-CD2 4.43Å; F284-F364 HydrophobicContact CE2-CB 4.33Å; F284-F364 HydrophobicContact CZ-CB 4.01Å; F284-F364 AromaticContact CZ-CD2 3.77Å; F284-F364 HydrophobicContact CZ-CD2 3.77Å; F284-F364 HydrophobicContact CZ-CE2 4.36Å; F284-F364 AromaticContact CZ-CG 3.85Å; F284-F364 HydrophobicContact CZ-CG 3.85Å; F284-I376 HydrophobicContact CD1-CB 4.43Å; F284-I376 HydrophobicContact CD2-CB 4.49Å; F284-I376 HydrophobicContact CE1-CB 3.91Å; F284-I376 HydrophobicContact CE1-CG2 3.75Å; F284-I376 HydrophobicContact CE2-CB 4Å; F284-I376 HydrophobicContact CE2-CD1 3.7Å; F284-I376 HydrophobicContact CE2-CG1 4.33Å; F284-I376 HydrophobicContact CE2-CG2 4.47Å; F284-I376 HydrophobicContact CZ-CB 3.66Å; F284-I376 HydrophobicContact CZ-CD1 3.74Å; F284-I376 HydrophobicContact CZ-CG1 4.28Å; F284-I376 HydrophobicContact CZ-CG2 3.66Å; F284-I376 PolarHBondContact N-O 3.32Å; F284-I376 PolarHBondContact O-N 3.37Å; F284-Y378 AromaticContact CD1-CD1 3.91Å; F284-Y378 HydrophobicContact CD1-CD1 3.91Å; F284-Y378 AromaticContact CD1-CE1 3.72Å; F284-Y378 HydrophobicContact CD1-CE1 3.72Å; F284-Y378 AromaticContact CE1-CD1 3.45Å; F284-Y378 HydrophobicContact CE1-CD1 3.45Å; F284-Y378 VanDerWaalsContact CE1-CD1 3.45Å; F284-Y378 AromaticContact CE1-CE1 3.49Å; F284-Y378 HydrophobicContact CE1-CE1 3.49Å; F284-Y378 VanDerWaalsContact CE1-CE1 3.49Å; F284-Y378 HydrophobicContact CE1-CG 4.43Å
285S97.5Very high94.9Very high75 Ų7571.5 Ų71.552%0.52440%0.401SS..EExtended strand (participates in β ladder)trans-120.7128.3176.3-175.80000109V374S285-V374 CarbonylContact C-O 3.56Å; S285-V374 WeakPolarHBondContact CA-O 3.39Å
286L96.2Very high95.5Very high11 Ų1165.6 Ų65.66%0.05836%0.359CS..EExtended strand (participates in β ladder)trans-106.1117.7175.6-68.9-179.4000110.5F284 K290 F364 N366 S373 V374 I376F284-L286 HydrophobicContact CD2-CD1 4.49Å; F284-L286 HydrophobicContact CD2-CD2 3.91Å; F284-L286 HydrophobicContact CD2-CG 3.77Å; F284-L286 HydrophobicContact CE2-CD1 3.73Å; F284-L286 HydrophobicContact CE2-CD2 3.84Å; F284-L286 HydrophobicContact CE2-CG 3.51Å; L286-K290 HydrophobicContact CD2-CB 4.31Å; L286-F364 HydrophobicContact CD1-CB 3.95Å; L286-N366 HydrophobicContact CB-CB 3.89Å; L286-N366 PolarHBondContact O-ND2 2.66Å; L286-S373 CarbonylContact O-C 3.59Å; L286-S373 WeakPolarHBondContact O-CA 3.27Å; L286-S373 WeakPolarHBondContact O-CB 3.38Å; L286-V374 HydrophobicContact CB-CG2 3.92Å; L286-V374 PolarHBondContact N-O 2.85Å; L286-V374 PolarHBondContact O-N 3.48Å; L286-I376 HydrophobicContact CD1-CD1 3.8Å; L286-I376 HydrophobicContact CG-CD1 4.38Å
287G95.7Very high95.9Very high24 Ų2468.3 Ų68.325%0.24738%0.378CS..  trans-62.6163.4165.300000112.2G289 K290 N366G287-G289 PolarHBondContact O-N 2.85Å; G287-K290 VanDerWaalsContact O-CB 3.27Å; G287-K290 WeakPolarHBondContact O-CB 3.22Å; G287-K290 WeakPolarHBondContact O-CG 3.43Å; G287-K290 PolarHBondContact O-N 3.16Å; G287-N366 VanDerWaalsContact O-CB 3.31Å; G287-N366 WeakPolarHBondContact O-CB 3.45Å; G287-N366 PolarHBondContact O-ND2 2.71Å
288A94.3Very high96.2Very high43 Ų4363.5 Ų63.536%0.35535%0.353SS..THydrogen-bonded Turntrans-51.1133.4179.300000112.6K290 N366 T370A288-K290 PolarHBondContact O-N 3.44Å; A288-K290 VanDerWaalsContact O-N 3.07Å; A288-N366 PolarHBondContact N-ND2 3.48Å; A288-T370 HydrophobicContact CB-CG2 4.48Å; A288-T370 WeakPolarHBondContact CB-O 3.2Å
289G92.8Very high96.3Very high25 Ų2567 Ų6726%0.25838%0.375SS..THydrogen-bonded Turntrans66.41.7-179.200000116G287 N366 L367G287-G289 PolarHBondContact O-N 2.85Å; G289-N366 VanDerWaalsContact CA-O 3.23Å; G289-N366 WeakPolarHBondContact CA-O 3.33Å; G289-N366 PolarHBondContact N-O 3.24Å; G289-N366 VanDerWaalsContact N-O 3.14Å; G289-L367 PolarHBondContact N-O 2.96Å
290K96.5Very high96.5Very high135 Ų13566.2 Ų66.259%0.58737%0.371SS*.  trans-82.8150.6177.6-58.8-60.9-176.5-179.50111.1L286 G287 A288 R365 N366L286-K290 HydrophobicContact CD2-CB 4.31Å; G287-K290 VanDerWaalsContact O-CB 3.27Å; G287-K290 WeakPolarHBondContact O-CB 3.22Å; G287-K290 WeakPolarHBondContact O-CG 3.43Å; G287-K290 PolarHBondContact O-N 3.16Å; A288-K290 PolarHBondContact O-N 3.44Å; A288-K290 VanDerWaalsContact O-N 3.07Å; K290-R365 WeakPolarHBondContact O-CA 3.39Å; K290-N366 PolarHBondContact O-N 2.95Å
291T97Very high96.7Very high67 Ų6767.6 Ų67.641%0.41139%0.387SS..EExtended strand (participates in β ladder)trans-119.9147.2178.7-51.70000109.4F364 R365T291-F364 CarbonylContact C-O 3.5Å; T291-F364 VanDerWaalsContact CA-O 3.22Å; T291-F364 WeakPolarHBondContact CA-O 3.3Å; T291-F364 WeakPolarHBondContact CG2-O 3.31Å; T291-R365 HydrophobicContact CG2-CB 4.34Å; T291-R365 WeakPolarHBondContact OG1-CG 3.32Å; T291-R365 PolarHBondContact OG1-NE 3.04Å
292Y97.9Very high97Very high87 Ų8766.1 Ų66.134%0.34137%0.367SS..EExtended strand (participates in β ladder)trans-135.7138.1167.2171.7-92000108.9F284 A294 F364 Y378F284-Y292 HydrophobicContact CD1-CD1 4.1Å; F284-Y292 HydrophobicContact CD1-CE1 4.02Å; F284-Y292 HydrophobicContact CD2-CD1 4.28Å; F284-Y292 HydrophobicContact CD2-CG 4.13Å; F284-Y292 AromaticContact CE1-CD1 3.53Å; F284-Y292 HydrophobicContact CE1-CD1 3.53Å; F284-Y292 AromaticContact CE1-CE1 3.63Å; F284-Y292 HydrophobicContact CE1-CE1 3.63Å; F284-Y292 HydrophobicContact CE1-CG 4.31Å; F284-Y292 AromaticContact CE2-CD1 3.71Å; F284-Y292 HydrophobicContact CE2-CD1 3.71Å; F284-Y292 AromaticContact CE2-CG 3.79Å; F284-Y292 HydrophobicContact CE2-CG 3.79Å; F284-Y292 HydrophobicContact CG-CD1 4.45Å; F284-Y292 AromaticContact CZ-CD1 3.32Å; F284-Y292 HydrophobicContact CZ-CD1 3.32Å; F284-Y292 AromaticContact CZ-CE1 3.94Å; F284-Y292 HydrophobicContact CZ-CE1 3.94Å; F284-Y292 AromaticContact CZ-CG 3.92Å; F284-Y292 HydrophobicContact CZ-CG 3.92Å; Y292-A294 HydrophobicContact CE1-CB 4.23Å; Y292-F364 HydrophobicContact CD1-CD2 4.05Å; Y292-F364 PolarHBondContact N-O 2.99Å; Y292-F364 PolarHBondContact O-N 3.33Å; Y292-Y378 AromaticContact CE1-CE1 3.92Å; Y292-Y378 HydrophobicContact CE1-CE1 3.92Å; Y292-Y378 AromaticContact CE1-CZ 3.84Å; Y292-Y378 PolarHBondContact OH-OH 2.87Å
293S97.5Very high97Very high42 Ų4265.5 Ų65.529%0.29436%0.361SS..EExtended strand (participates in β ladder)trans-127.8119.7178-54.30000109.4K295 L362S293-K295 PolarHBondContact O-N 3.48Å; S293-L362 WeakPolarHBondContact CA-O 3.19Å
294A97.7Very high97.1Very high7 Ų755.7 Ų55.76%0.05832%0.324CS..EExtended strand (participates in β ladder)trans-78.8114.5164.800000107.2Y292 I296 S361 L362 Y378Y292-A294 HydrophobicContact CE1-CB 4.23Å; A294-I296 HydrophobicContact CB-CD1 4.24Å; A294-I296 WeakPolarHBondContact O-CD1 3.24Å; A294-S361 CarbonylContact O-C 3.52Å; A294-S361 VanDerWaalsContact O-CA 3.25Å; A294-S361 WeakPolarHBondContact O-CA 3.18Å; A294-L362 HydrophobicContact CB-CB 4.32Å; A294-L362 PolarHBondContact N-O 3.05Å; A294-L362 PolarHBondContact O-N 3.42Å; A294-Y378 HydrophobicContact CB-CE2 3.6Å
295K97.4Very high97.1Very high161 Ų16156 Ų5670%0.732%0.324SS*.EExtended strand (participates in β ladder)trans-94.1126178.3-64.6-173.8176.6-172.70109.5S293 V359S293-K295 PolarHBondContact O-N 3.48Å; K295-V359 HydrophobicContact CB-CG1 3.91Å; K295-V359 HydrophobicContact CD-CG1 4.48Å; K295-V359 HydrophobicContact CG-CG1 4.31Å
296I98Very high97.1Very high2 Ų252.6 Ų52.61%0.0130%0.3CS..EExtended strand (participates in β ladder)trans-124.7115-175.1-58.4101.6000108.1A294 A298 L304 Y360 L362 W380 L382A294-I296 HydrophobicContact CB-CD1 4.24Å; A294-I296 WeakPolarHBondContact O-CD1 3.24Å; I296-A298 PolarHBondContact O-N 2.77Å; I296-L304 HydrophobicContact CD1-CD2 4.46Å; I296-L304 HydrophobicContact CG2-CD1 4.34Å; I296-Y360 PolarHBondContact N-O 3.02Å; I296-Y360 PolarHBondContact O-N 3.18Å; I296-L362 HydrophobicContact CD1-CD1 4.35Å; I296-L362 HydrophobicContact CD1-CG 3.93Å; I296-W380 HydrophobicContact CB-CH2 4.48Å; I296-W380 HydrophobicContact CB-CZ3 4.49Å; I296-W380 HydrophobicContact CD1-CD2 4.42Å; I296-W380 HydrophobicContact CG1-CD2 3.73Å; I296-W380 HydrophobicContact CG1-CE3 3.97Å; I296-W380 HydrophobicContact CG1-CG 4.32Å; I296-W380 HydrophobicContact CG1-CH2 4.01Å; I296-W380 HydrophobicContact CG1-CZ2 3.74Å; I296-W380 HydrophobicContact CG1-CZ3 4.11Å; I296-W380 HydrophobicContact CG2-CE3 3.96Å; I296-W380 HydrophobicContact CG2-CH2 3.84Å; I296-W380 HydrophobicContact CG2-CZ2 4.44Å; I296-W380 HydrophobicContact CG2-CZ3 3.57Å; I296-L382 HydrophobicContact CG2-CD1 3.45Å; I296-L382 VanDerWaalsContact CG2-CD1 3.45Å; I296-L382 HydrophobicContact CG2-CD2 4.14Å; I296-L382 HydrophobicContact CG2-CG 3.76Å
297S97.9Very high97.2Very high97 Ų9752.6 Ų52.668%0.67830%0.3SS*.EExtended strand (participates in β ladder)trans-77.5117.1171.1-60.10000109G358 L382S297-G358 WeakPolarHBondContact CA-O 3.44Å; S297-L382 WeakPolarHBondContact O-CD1 3.45Å
298A97.8Very high97.3Very high5 Ų551.5 Ų51.54%0.04129%0.288CS..EExtended strand (participates in β ladder)trans-122.3150.6178.800000110.8I296 C354 S357 G358 Y360 L382I296-A298 PolarHBondContact O-N 2.77Å; A298-C354 HydrophobicContact CB-CB 4.33Å; A298-S357 WeakPolarHBondContact O-CA 3.39Å; A298-G358 PolarHBondContact N-O 3.09Å; A298-G358 PolarHBondContact O-N 3.17Å; A298-Y360 HydrophobicContact CB-CD2 3.63Å; A298-Y360 HydrophobicContact CB-CE2 3.87Å; A298-L382 HydrophobicContact CB-CD1 4.03Å; A298-L382 HydrophobicContact CB-CD2 3.65Å
299T97.6Very high97.5Very high84 Ų8452 Ų5252%0.51528%0.282SS..  trans-95.8150.6174-47.70000109.4G301 Q302T299-G301 PolarHBondContact O-N 3.07Å; T299-Q302 WeakPolarHBondContact O-CB 3.46Å; T299-Q302 WeakPolarHBondContact O-CG 3.34Å; T299-Q302 PolarHBondContact O-N 3.14Å
300E97.3Very high97.7Very high133 Ų13351.3 Ų51.362%0.62127%0.273SS*.THydrogen-bonded Turntrans-51.3136.8171.9179.8178.1172.500111.2Q302 C354 K355 S357E300-Q302 VanDerWaalsContact C-N 3.31Å; E300-Q302 PolarHBondContact O-N 3.22Å; E300-C354 CarbonylContact C-O 3.56Å; E300-C354 WeakPolarHBondContact CA-O 3.49Å; E300-K355 WeakPolarHBondContact CG-O 3.05Å; E300-S357 PolarHBondContact N-OG 2.85Å
301G97.6Very high97.7Very high46 Ų4648.7 Ų48.747%0.47427%0.272SS..THydrogen-bonded Turntrans89.6-16.8-178.900000114.6T299 H353 C354T299-G301 PolarHBondContact O-N 3.07Å; G301-H353 PolarHBondContact O-CE1 2.89Å; G301-H353 VanDerWaalsContact O-CE1 3.28Å; G301-C354 PolarHBondContact N-O 2.95Å
302Q98.3Very high97.5Very high47 Ų4746.6 Ų46.622%0.2226%0.263CS..  trans-69.8162.7174.7-63.9-167.4-80.900111.9T299 E300 C354 L382 E383T299-Q302 WeakPolarHBondContact O-CB 3.46Å; T299-Q302 WeakPolarHBondContact O-CG 3.34Å; T299-Q302 PolarHBondContact O-N 3.14Å; E300-Q302 VanDerWaalsContact C-N 3.31Å; E300-Q302 PolarHBondContact O-N 3.22Å; Q302-C354 HydrophobicContact CB-CB 4.44Å; Q302-C354 VanDerWaalsContact O-CB 3.25Å; Q302-C354 WeakPolarHBondContact O-CB 3.03Å; Q302-C354 PolarHBondContact O-N 3.12Å; Q302-L382 HydrophobicContact CB-CD2 4.47Å; Q302-E383 CarbonylContact C-O 3.54Å; Q302-E383 WeakPolarHBondContact CA-O 3.34Å; Q302-E383 WeakPolarHBondContact CB-O 3.15Å
303T98.2Very high97.4Very high40 Ų4047.4 Ų47.425%0.24527%0.269CS..EExtended strand (participates in β ladder)trans-117.4120.3170.4-57.70000110.2R305 I352 E383T303-R305 HydrophobicContact CG2-CG 3.92Å; T303-I352 WeakPolarHBondContact CA-O 3.47Å; T303-E383 PolarHBondContact N-O 3.5Å; T303-E383 PolarHBondContact O-N 3.27Å
304L98.5Very high97.4Very high0 Ų045.4 Ų45.40%026%0.255CS..EExtended strand (participates in β ladder)trans-86.8118.2170.5172.660.8000108.6I296 W306 S351 I352 Y360 L362 W380 L382I296-L304 HydrophobicContact CD1-CD2 4.46Å; I296-L304 HydrophobicContact CG2-CD1 4.34Å; L304-W306 HydrophobicContact CG-CE3 4.24Å; L304-S351 CarbonylContact O-C 3.55Å; L304-S351 WeakPolarHBondContact O-CA 3.25Å; L304-I352 HydrophobicContact CB-CG2 3.98Å; L304-I352 HydrophobicContact CD2-CG2 4.38Å; L304-I352 PolarHBondContact N-O 2.96Å; L304-I352 PolarHBondContact O-N 3.43Å; L304-Y360 HydrophobicContact CD2-CG 4.45Å; L304-L362 HydrophobicContact CD2-CD2 4.27Å; L304-W380 HydrophobicContact CD1-CB 4.11Å; L304-W380 HydrophobicContact CD1-CE3 4.08Å; L304-L382 HydrophobicContact CB-CD2 3.81Å; L304-L382 HydrophobicContact CD1-CD2 4.09Å; L304-L382 HydrophobicContact CD1-CG 4.45Å
305R98Very high97.4Very high45 Ų4547.3 Ų47.317%0.1726%0.263CS..EExtended strand (participates in β ladder)trans-114.1145.1172.9-52.9-168.8-67.9117.2-4.1109.9D277 I278 T303 G350 W380 V381 E383D277-R305 IonicContact OD1-CZ 2.9Å; D277-R305 IonicContact OD1-NH1 3.91Å; D277-R305 PolarHBondContact OD1-NH1 3.06Å; D277-R305 IonicContact OD1-NH2 3.95Å; D277-R305 PolarHBondContact OD1-NH2 3.16Å; D277-R305 IonicContact OD2-CZ 3.57Å; D277-R305 IonicContact OD2-NH1 3.96Å; D277-R305 IonicContact OD2-NH2 3.04Å; D277-R305 PolarHBondContact OD2-NH2 2.79Å; I278-R305 HydrophobicContact CD1-CB 3.51Å; T303-R305 HydrophobicContact CG2-CG 3.92Å; R305-G350 WeakPolarHBondContact CA-O 3.18Å; R305-W380 CarbonylContact O-C 3.44Å; R305-W380 WeakPolarHBondContact O-CA 3.35Å; R305-W380 WeakPolarHBondContact O-CB 3.35Å; R305-V381 HydrophobicContact CB-CG2 3.94Å; R305-V381 PolarHBondContact N-O 3.03Å; R305-V381 PolarHBondContact O-N 2.81Å; R305-E383 IonicContact CZ-OE1 3.31Å; R305-E383 IonicContact CZ-OE2 3.49Å; R305-E383 VanDerWaalsContact NE-CD 3.31Å; R305-E383 IonicContact NE-OE1 3.68Å; R305-E383 PolarHBondContact NE-OE1 3.3Å; R305-E383 IonicContact NE-OE2 3Å; R305-E383 PolarHBondContact NE-OE2 2.96Å; R305-E383 IonicContact NH2-OE1 3.31Å; R305-E383 PolarHBondContact NH2-OE1 2.93Å; R305-E383 IonicContact NH2-OE2 3.5Å; R305-E383 PolarHBondContact NH2-OE2 2.91Å
306W98Very high97.4Very high3 Ų339.7 Ų39.71%0.01123%0.23CC..EExtended strand (participates in β ladder)trans-140.5160.3179.26686000113.1L304 F316 V318 I333 V349 G350 S351 I352 L362 G379 W380L304-W306 HydrophobicContact CG-CE3 4.24Å; W306-F316 AromaticContact CE2-CZ 3.97Å; W306-F316 HydrophobicContact CZ2-CE1 4.29Å; W306-F316 HydrophobicContact CZ2-CZ 4.45Å; W306-F316 AromaticContact NE1-CE1 3.77Å; W306-F316 AromaticContact NE1-CZ 3.62Å; W306-V318 HydrophobicContact CH2-CG2 3.91Å; W306-V318 HydrophobicContact CZ2-CG2 3.95Å; W306-V318 HydrophobicContact CZ3-CG2 4.31Å; W306-I333 HydrophobicContact CH2-CD1 3.41Å; W306-I333 VanDerWaalsContact CH2-CD1 3.41Å; W306-I333 HydrophobicContact CZ2-CD1 3.4Å; W306-I333 VanDerWaalsContact CZ2-CD1 3.4Å; W306-V349 WeakPolarHBondContact O-CA 3.41Å; W306-G350 PolarHBondContact N-O 3.02Å; W306-G350 PolarHBondContact O-N 2.83Å; W306-G350 VanDerWaalsContact O-N 3.12Å; W306-S351 VanDerWaalsContact CZ3-C 3.46Å; W306-I352 HydrophobicContact CH2-CB 4.45Å; W306-I352 HydrophobicContact CZ3-CB 4.2Å; W306-I352 HydrophobicContact CZ3-CG2 4.07Å; W306-L362 HydrophobicContact CB-CD1 3.73Å; W306-L362 HydrophobicContact CB-CD2 4.37Å; W306-L362 HydrophobicContact CD2-CD2 3.97Å; W306-L362 HydrophobicContact CE3-CD2 3.97Å; W306-L362 HydrophobicContact CG-CD1 4.27Å; W306-L362 HydrophobicContact CG-CD2 4.15Å; W306-G379 WeakPolarHBondContact CA-O 3.2Å; W306-W380 HydrophobicContact CB-CB 4.24Å
307I98Very high97.3Very high11 Ų1139.6 Ų39.66%0.05623%0.229CC..EExtended strand (participates in β ladder)trans-135.1141167.3-175.3169.8000108.8C276 I278 A280 P347 E348 V349 Y378 G379C276-I307 HydrophobicContact CB-CD1 4.4Å; I278-I307 HydrophobicContact CB-CB 4.39Å; I278-I307 HydrophobicContact CB-CG2 3.78Å; I278-I307 HydrophobicContact CG2-CG2 3.57Å; A280-I307 HydrophobicContact CB-CG2 4.12Å; I307-P347 HydrophobicContact CD1-CB 3.92Å; I307-P347 HydrophobicContact CD1-CG 3.78Å; I307-P347 HydrophobicContact CG1-CB 3.92Å; I307-P347 HydrophobicContact CG1-CG 4.22Å; I307-E348 CarbonylContact C-O 3.31Å; I307-E348 VanDerWaalsContact CA-O 3.25Å; I307-E348 WeakPolarHBondContact CA-O 3.31Å; I307-V349 HydrophobicContact CB-CG1 4.21Å; I307-V349 HydrophobicContact CD1-CG1 4.19Å; I307-V349 HydrophobicContact CG1-CG1 3.9Å; I307-Y378 CarbonylContact O-C 3.58Å; I307-Y378 WeakPolarHBondContact O-CA 3.46Å; I307-G379 PolarHBondContact N-O 3.28Å; I307-G379 PolarHBondContact O-N 3.48Å
308F98.2Very high97.3Very high1 Ų135 Ų350%0.00420%0.197CC..EExtended strand (participates in β ladder)trans-148.3161.3162.875.2-94.8000113.6T310 F316 I338 E348 F364 S377F308-T310 HydrophobicContact CE2-CG2 4.43Å; F308-F316 HydrophobicContact CD1-CD2 4.33Å; F308-F316 HydrophobicContact CD1-CE2 4.14Å; F308-F316 HydrophobicContact CD1-CZ 4.36Å; F308-F316 HydrophobicContact CE1-CB 4.32Å; F308-F316 AromaticContact CE1-CD1 3.74Å; F308-F316 HydrophobicContact CE1-CD1 3.74Å; F308-F316 AromaticContact CE1-CD2 3.57Å; F308-F316 HydrophobicContact CE1-CD2 3.57Å; F308-F316 AromaticContact CE1-CE1 3.85Å; F308-F316 HydrophobicContact CE1-CE1 3.85Å; F308-F316 AromaticContact CE1-CE2 3.68Å; F308-F316 HydrophobicContact CE1-CE2 3.68Å; F308-F316 AromaticContact CE1-CG 3.59Å; F308-F316 HydrophobicContact CE1-CG 3.59Å; F308-F316 AromaticContact CE1-CZ 3.82Å; F308-F316 HydrophobicContact CE1-CZ 3.82Å; F308-F316 HydrophobicContact CZ-CB 3.88Å; F308-F316 HydrophobicContact CZ-CD1 4.07Å; F308-F316 AromaticContact CZ-CD2 3.91Å; F308-F316 HydrophobicContact CZ-CD2 3.91Å; F308-F316 HydrophobicContact CZ-CE2 4.47Å; F308-F316 AromaticContact CZ-CG 3.67Å; F308-F316 HydrophobicContact CZ-CG 3.67Å; F308-I338 HydrophobicContact CE2-CG2 4.03Å; F308-I338 HydrophobicContact CZ-CB 4.28Å; F308-I338 HydrophobicContact CZ-CG2 3.85Å; F308-E348 HydrophobicContact CD1-CB 3.88Å; F308-E348 HydrophobicContact CD1-CG 3.7Å; F308-E348 HydrophobicContact CD2-CB 4.16Å; F308-E348 HydrophobicContact CE1-CB 3.67Å; F308-E348 HydrophobicContact CE1-CG 3.12Å; F308-E348 HydrophobicContact CE2-CB 3.94Å; F308-E348 HydrophobicContact CE2-CG 4.15Å; F308-E348 HydrophobicContact CG-CB 4.14Å; F308-E348 HydrophobicContact CG-CG 4.44Å; F308-E348 HydrophobicContact CZ-CB 3.71Å; F308-E348 HydrophobicContact CZ-CG 3.39Å; F308-E348 PolarHBondContact N-O 2.87Å; F308-E348 PolarHBondContact O-N 2.98Å; F308-F364 HydrophobicContact CB-CE1 4.11Å; F308-F364 HydrophobicContact CB-CZ 4.33Å; F308-F364 AromaticContact CD1-CE1 3.77Å; F308-F364 HydrophobicContact CD1-CE1 3.77Å; F308-F364 HydrophobicContact CD1-CZ 4.22Å; F308-F364 AromaticContact CD2-CE1 3.92Å; F308-F364 HydrophobicContact CD2-CE1 3.92Å; F308-F364 HydrophobicContact CE1-CE1 4.03Å; F308-F364 HydrophobicContact CE2-CE1 4.21Å; F308-F364 AromaticContact CG-CE1 3.68Å; F308-F364 HydrophobicContact CG-CE1 3.68Å; F308-F364 HydrophobicContact CG-CZ 4.27Å; F308-F364 HydrophobicContact CZ-CE1 4.24Å; F308-S377 CarbonylContact C-O 3.58Å; F308-S377 WeakPolarHBondContact CA-O 3.34Å; F308-S377 WeakPolarHBondContact CB-O 3.49Å
309K97.8Very high97.3Very high53 Ų5334.8 Ų34.823%0.2320%0.195CC..EExtended strand (participates in β ladder)trans-130.3141.5173.8-51.8167.6174.8-156.90107.4P343 D344 P347 I376 S377K309-P343 HydrophobicContact CB-CB 3.99Å; K309-P343 HydrophobicContact CD-CB 3.94Å; K309-P343 WeakPolarHBondContact CE-O 3.31Å; K309-P343 HydrophobicContact CG-CB 3.92Å; K309-P343 PolarHBondContact NZ-O 3.02Å; K309-D344 IonicContact NZ-OD1 2.79Å; K309-D344 PolarHBondContact NZ-OD1 2.8Å; K309-P347 HydrophobicContact CG-CB 4.01Å; K309-I376 WeakPolarHBondContact O-CA 3.46Å; K309-S377 WeakPolarHBondContact CB-OG 3.23Å; K309-S377 PolarHBondContact N-O 2.86Å; K309-S377 PolarHBondContact O-N 3.35Å
310T97.5Very high97.3Very high11 Ų1131.2 Ų31.27%0.06717%0.172CC..EExtended strand (participates in β ladder)trans-130.4142.7176.9-176.30000111.6F308 G312 T314 T340 K375F308-T310 HydrophobicContact CE2-CG2 4.43Å; T310-G312 WeakPolarHBondContact CG2-O 3.09Å; T310-G312 PolarHBondContact O-N 3.28Å; T310-G312 PolarHBondContact OG1-N 2.89Å; T310-G312 PolarHBondContact OG1-O 3Å; T310-T314 WeakPolarHBondContact CB-OG1 3.48Å; T310-T314 PolarHBondContact OG1-OG1 3.23Å; T310-T340 HydrophobicContact CG2-CG2 4.35Å; T310-T340 PolarHBondContact N-OG1 2.78Å; T310-T340 PolarHBondContact O-OG1 2.98Å; T310-K375 WeakPolarHBondContact CA-O 3.16Å
311S95.6Very high97.3Very high81 Ų8126.5 Ų26.557%0.56615%0.152SC*.SBendtrans-76.3-4.6177.272.70000113.9K375S311-K375 PolarHBondContact N-O 3.36Å; S311-K375 PolarHBondContact OG-N 2.89Å
312G93.5Very high97.1Very high22 Ų2227.1 Ų27.123%0.22715%0.145CC..SBendtrans-171.6-178.3-17800000112.5T310 T314T310-G312 WeakPolarHBondContact CG2-O 3.09Å; T310-G312 PolarHBondContact O-N 3.28Å; T310-G312 PolarHBondContact OG1-N 2.89Å; T310-G312 PolarHBondContact OG1-O 3Å; G312-T314 PolarHBondContact O-N 2.93Å; G312-T314 PolarHBondContact O-OG1 3.22Å
313K95.1Very high96.7Very high105 Ų10529.3 Ų29.346%0.45716%0.163SC..  trans-55.3122.1179.3-68.3-178.8179.4-177.10110.9I338 V339 L367K313-I338 WeakPolarHBondContact CA-O 3.35Å; K313-V339 HydrophobicContact CB-CG1 4.3Å; K313-V339 HydrophobicContact CG-CG1 3.63Å; K313-L367 HydrophobicContact CB-CD1 3.67Å; K313-L367 HydrophobicContact CD-CD1 4.22Å
314T97Very high96.3Very high0 Ų036.6 Ų36.60%019%0.192CC..EExtended strand (participates in β ladder)trans-134.4129.3-176.3-57.10000108.8T310 G312 F316 I338 F364 I376T310-T314 WeakPolarHBondContact CB-OG1 3.48Å; T310-T314 PolarHBondContact OG1-OG1 3.23Å; G312-T314 PolarHBondContact O-N 2.93Å; G312-T314 PolarHBondContact O-OG1 3.22Å; T314-F316 PolarHBondContact O-N 3.3Å; T314-I338 PolarHBondContact N-O 2.93Å; T314-I338 PolarHBondContact O-N 2.85Å; T314-F364 HydrophobicContact CG2-CB 4.4Å; T314-F364 HydrophobicContact CG2-CD1 4.37Å; T314-I376 HydrophobicContact CG2-CD1 3.66Å
315E97Very high95.7Very high47 Ų4738.4 Ų38.422%0.2221%0.21CC..EExtended strand (participates in β ladder)trans-73.4126168.6-72.4177.8-18000109.2R335 L336 F364 R365 L367E315-R335 HydrophobicContact CB-CG 4.04Å; E315-R335 HydrophobicContact CG-CG 4.41Å; E315-R335 WeakPolarHBondContact OE2-CD 3.38Å; E315-L336 CarbonylContact C-O 3.59Å; E315-L336 VanDerWaalsContact CA-O 3.3Å; E315-L336 WeakPolarHBondContact CA-O 3.34Å; E315-F364 CarbonylContact O-C 3.49Å; E315-F364 WeakPolarHBondContact O-CA 3.49Å; E315-R365 HydrophobicContact CB-CB 4.07Å; E315-R365 PolarHBondContact N-O 3.47Å; E315-R365 PolarHBondContact O-N 2.94Å; E315-R365 VanDerWaalsContact OE2-CD 3.31Å; E315-R365 WeakPolarHBondContact OE2-CD 3.22Å; E315-R365 IonicContact OE2-CZ 3.45Å; E315-R365 IonicContact OE2-NE 2.95Å; E315-R365 IonicContact OE2-NH1 2.6Å; E315-R365 PolarHBondContact OE2-NH1 2.75Å; E315-L367 HydrophobicContact CG-CD2 3.67Å; E315-L367 WeakPolarHBondContact OE1-CD2 3.38Å
316F97.8Very high95.2Very high1 Ų142.8 Ų42.80%0.00424%0.237CC..EExtended strand (participates in β ladder)trans-124.7137.7178.2177.9-107.1000110.2W306 F308 T314 V318 R335 L336 I338 L362 E363 F364W306-F316 AromaticContact CE2-CZ 3.97Å; W306-F316 HydrophobicContact CZ2-CE1 4.29Å; W306-F316 HydrophobicContact CZ2-CZ 4.45Å; W306-F316 AromaticContact NE1-CE1 3.77Å; W306-F316 AromaticContact NE1-CZ 3.62Å; F308-F316 HydrophobicContact CD1-CD2 4.33Å; F308-F316 HydrophobicContact CD1-CE2 4.14Å; F308-F316 HydrophobicContact CD1-CZ 4.36Å; F308-F316 HydrophobicContact CE1-CB 4.32Å; F308-F316 AromaticContact CE1-CD1 3.74Å; F308-F316 HydrophobicContact CE1-CD1 3.74Å; F308-F316 AromaticContact CE1-CD2 3.57Å; F308-F316 HydrophobicContact CE1-CD2 3.57Å; F308-F316 AromaticContact CE1-CE1 3.85Å; F308-F316 HydrophobicContact CE1-CE1 3.85Å; F308-F316 AromaticContact CE1-CE2 3.68Å; F308-F316 HydrophobicContact CE1-CE2 3.68Å; F308-F316 AromaticContact CE1-CG 3.59Å; F308-F316 HydrophobicContact CE1-CG 3.59Å; F308-F316 AromaticContact CE1-CZ 3.82Å; F308-F316 HydrophobicContact CE1-CZ 3.82Å; F308-F316 HydrophobicContact CZ-CB 3.88Å; F308-F316 HydrophobicContact CZ-CD1 4.07Å; F308-F316 AromaticContact CZ-CD2 3.91Å; F308-F316 HydrophobicContact CZ-CD2 3.91Å; F308-F316 HydrophobicContact CZ-CE2 4.47Å; F308-F316 AromaticContact CZ-CG 3.67Å; F308-F316 HydrophobicContact CZ-CG 3.67Å; T314-F316 PolarHBondContact O-N 3.3Å; F316-V318 HydrophobicContact CE1-CG2 3.84Å; F316-V318 HydrophobicContact CZ-CG2 3.65Å; F316-R335 WeakPolarHBondContact O-CA 3.41Å; F316-L336 PolarHBondContact N-O 2.98Å; F316-L336 PolarHBondContact O-N 2.85Å; F316-I338 HydrophobicContact CB-CG1 3.97Å; F316-L362 HydrophobicContact CE2-CB 4.17Å; F316-L362 HydrophobicContact CE2-CD2 4.48Å; F316-L362 HydrophobicContact CZ-CD2 4.17Å; F316-E363 VanDerWaalsContact CA-O 3.31Å; F316-E363 WeakPolarHBondContact CA-O 3.4Å; F316-E363 WeakPolarHBondContact CD2-O 3.33Å; F316-F364 AromaticContact CD2-CD1 3.8Å; F316-F364 HydrophobicContact CD2-CD1 3.8Å; F316-F364 AromaticContact CD2-CE1 3.56Å; F316-F364 HydrophobicContact CD2-CE1 3.56Å; F316-F364 HydrophobicContact CD2-CG 4.48Å; F316-F364 HydrophobicContact CD2-CZ 4.05Å; F316-F364 HydrophobicContact CE2-CD1 4.4Å; F316-F364 AromaticContact CE2-CE1 3.77Å; F316-F364 HydrophobicContact CE2-CE1 3.77Å; F316-F364 HydrophobicContact CE2-CE2 4.44Å; F316-F364 AromaticContact CE2-CZ 3.81Å; F316-F364 HydrophobicContact CE2-CZ 3.81Å
317A97.4Very high94.7Very high0 Ų044.8 Ų44.80%026%0.259CS..EExtended strand (participates in β ladder)trans-143.8157.5171.600000109.9T319 L331 R335 E363A317-T319 HydrophobicContact CB-CG2 4.43Å; A317-L331 HydrophobicContact CB-CD2 4.19Å; A317-R335 HydrophobicContact CB-CB 4.17Å; A317-R335 HydrophobicContact CB-CG 4.47Å; A317-E363 PolarHBondContact N-O 2.92Å; A317-E363 PolarHBondContact O-N 2.76Å
318V97.7Very high94.3Very high0 Ų051 Ų510%029%0.288CS..EExtended strand (participates in β ladder)trans-115.2128167-177.80000108W306 F316 L332 I333 S361 L362W306-V318 HydrophobicContact CH2-CG2 3.91Å; W306-V318 HydrophobicContact CZ2-CG2 3.95Å; W306-V318 HydrophobicContact CZ3-CG2 4.31Å; F316-V318 HydrophobicContact CE1-CG2 3.84Å; F316-V318 HydrophobicContact CZ-CG2 3.65Å; V318-L332 HydrophobicContact CG1-CB 4.37Å; V318-L332 HydrophobicContact CG1-CD1 4.48Å; V318-L332 PolarHBondContact O-N 2.68Å; V318-I333 HydrophobicContact CB-CB 3.94Å; V318-I333 HydrophobicContact CB-CD1 4.26Å; V318-I333 HydrophobicContact CB-CG1 4.14Å; V318-I333 HydrophobicContact CG2-CB 4.12Å; V318-I333 HydrophobicContact CG2-CD1 3.82Å; V318-I333 HydrophobicContact CG2-CG1 4.22Å; V318-I333 PolarHBondContact N-O 3.39Å; V318-I333 PolarHBondContact O-N 3.02Å; V318-I333 VanDerWaalsContact O-N 3.09Å; V318-S361 WeakPolarHBondContact CA-O 3.46Å; V318-L362 HydrophobicContact CG1-CD2 4.46Å; V318-L362 HydrophobicContact CG2-CD2 3.88Å
319T97.1Very high94Very high1 Ų154.5 Ų54.51%0.00631%0.309CS..EExtended strand (participates in β ladder)trans-126.1157.1-175.369.30000111.7A317 V329 K330 L331 Y360 S361 E363A317-T319 HydrophobicContact CB-CG2 4.43Å; T319-V329 HydrophobicContact CG2-CG1 4.04Å; T319-K330 CarbonylContact C-O 3.58Å; T319-K330 VanDerWaalsContact CA-O 3.24Å; T319-K330 WeakPolarHBondContact CA-O 3.15Å; T319-L331 HydrophobicContact CG2-CD2 3.56Å; T319-Y360 CarbonylContact O-C 3.51Å; T319-Y360 VanDerWaalsContact O-CA 3.26Å; T319-Y360 WeakPolarHBondContact O-CA 3.48Å; T319-S361 PolarHBondContact N-O 3.42Å; T319-S361 PolarHBondContact O-N 2.83Å; T319-S361 WeakPolarHBondContact OG1-CB 3.2Å; T319-E363 VanDerWaalsContact CG2-CD 3.45Å; T319-E363 HydrophobicContact CG2-CG 4.06Å; T319-E363 WeakPolarHBondContact CG2-OE1 3.48Å; T319-E363 PolarHBondContact OG1-OE1 2.82Å
320F97.1Very high93.8Very high9 Ų956.5 Ų56.54%0.03932%0.317CS..EExtended strand (participates in β ladder)trans-126.1139.6173.9171.6-102.5000110.3D322 K330 L332 E356 V359 Y360F320-D322 HydrophobicContact CE1-CB 4.18Å; F320-D322 HydrophobicContact CZ-CB 4.33Å; F320-K330 PolarHBondContact N-O 2.91Å; F320-K330 PolarHBondContact O-N 2.96Å; F320-L332 HydrophobicContact CB-CD1 3.76Å; F320-L332 HydrophobicContact CB-CD2 4.24Å; F320-L332 HydrophobicContact CB-CG 3.97Å; F320-E356 HydrophobicContact CE1-CB 4.1Å; F320-E356 HydrophobicContact CE2-CB 4.06Å; F320-E356 HydrophobicContact CZ-CB 3.53Å; F320-V359 WeakPolarHBondContact CA-O 3.28Å; F320-Y360 HydrophobicContact CD2-CD1 4.37Å; F320-Y360 AromaticContact CD2-CD2 3.95Å; F320-Y360 HydrophobicContact CD2-CD2 3.95Å; F320-Y360 HydrophobicContact CD2-CE1 4.01Å; F320-Y360 AromaticContact CD2-CE2 3.54Å; F320-Y360 HydrophobicContact CD2-CE2 3.54Å; F320-Y360 HydrophobicContact CD2-CG 4.33Å; F320-Y360 AromaticContact CD2-CZ 3.56Å; F320-Y360 HydrophobicContact CE2-CD2 4.41Å; F320-Y360 AromaticContact CE2-CE2 3.73Å; F320-Y360 HydrophobicContact CE2-CE2 3.73Å; F320-Y360 AromaticContact CE2-CZ 3.93Å
321T97.2Very high93.7Very high33 Ų3356.9 Ų56.920%0.20232%0.319CS..EExtended strand (participates in β ladder)trans-131.9124.8171.9-54.30000108.7P323 V359T321-P323 WeakPolarHBondContact O-CD 3.09Å; T321-V359 PolarHBondContact N-O 3.09Å; T321-V359 PolarHBondContact O-N 3.45Å
322D94.5Very high93.6Very high59 Ų5954.9 Ų54.932%0.31630%0.302SS..  trans-75.2118.1170.4179.33.7000109.5F320 K324 G325F320-D322 HydrophobicContact CE1-CB 4.18Å; F320-D322 HydrophobicContact CZ-CB 4.33Å; D322-K324 PolarHBondContact O-N 2.94Å; D322-K324 WeakPolarHBondContact OD1-CB 3.27Å; D322-K324 PolarHBondContact OD1-N 2.87Å; D322-G325 PolarHBondContact O-N 3.26Å; D322-G325 VanDerWaalsContact O-N 3.09Å; D322-G325 PolarHBondContact OD2-N 2.88Å
323P89.4Confident93.7Very high93 Ų9354.7 Ų54.760%0.60430%0.295SS*.THydrogen-bonded Turntrans-60.1-22.5175.7-22.434.2000114.4T321 V359T321-P323 WeakPolarHBondContact O-CD 3.09Å; P323-V359 HydrophobicContact CG-CG2 4.28Å
324K89.3Confident93.6Very high194 Ų19449.7 Ų49.784%0.84327%0.274SS*.THydrogen-bonded Turntrans-93.6-11178.5-61.1178.2-177.2172.50112.9D322D322-K324 PolarHBondContact O-N 2.94Å; D322-K324 WeakPolarHBondContact OD1-CB 3.27Å; D322-K324 PolarHBondContact OD1-N 2.87Å
325G86.1Confident93.5Very high38 Ų3853.1 Ų53.139%0.39229%0.286SS..THydrogen-bonded Turntrans-78.3-174.4-18000000113.4D322 G327D322-G325 PolarHBondContact O-N 3.26Å; D322-G325 VanDerWaalsContact O-N 3.09Å; D322-G325 PolarHBondContact OD2-N 2.88Å; G325-G327 PolarHBondContact O-N 3.05Å; G325-G327 VanDerWaalsContact O-N 3.17Å
326N88.6Confident93.4Very high137 Ų13751 Ų5173%0.73328%0.277SS*.THydrogen-bonded Turntrans-71.64.7173.461.4-3.5000113.9E328N326-E328 WeakPolarHBondContact OD1-CB 3.45Å; N326-E328 PolarHBondContact OD1-N 2.79Å
327G86Confident93.4Very high45 Ų4552.7 Ų52.746%0.46429%0.288SS..SBendtrans83.312.1-17300000114.7G325G325-G327 PolarHBondContact O-N 3.05Å; G325-G327 VanDerWaalsContact O-N 3.17Å
328E90.9Very high93.3Very high142 Ų14252.7 Ų52.766%0.66429%0.288SS*.  trans-60.1135.4173.4-176172.9177.700111.3N326N326-E328 WeakPolarHBondContact OD1-CB 3.45Å; N326-E328 PolarHBondContact OD1-N 2.79Å
329V92.4Very high93.3Very high74 Ų7452.9 Ų52.945%0.44829%0.289SS..EExtended strand (participates in β ladder)trans-104.5117-178.6-178.50000108.1T319T319-V329 HydrophobicContact CG2-CG1 4.04Å
330K92.8Very high93.3Very high94 Ų9453.3 Ų53.341%0.40929%0.292SS..EExtended strand (participates in β ladder)trans-94.1126.6176.7-177.9178.2179177.90110T319 F320 L332 E356T319-K330 CarbonylContact C-O 3.58Å; T319-K330 VanDerWaalsContact CA-O 3.24Å; T319-K330 WeakPolarHBondContact CA-O 3.15Å; F320-K330 PolarHBondContact N-O 2.91Å; F320-K330 PolarHBondContact O-N 2.96Å; K330-L332 HydrophobicContact CD-CD2 4.14Å; K330-L332 HydrophobicContact CG-CD2 4.21Å; K330-L332 PolarHBondContact O-N 3.01Å; K330-E356 IonicContact NZ-OE1 2.64Å
331L94.4Very high93.2Very high20 Ų2054.5 Ų54.511%0.10530%0.3CS..EExtended strand (participates in β ladder)trans-72.2127.2167.2-70.9-172.1000109.8E53 A57 A317 T319E53-L331 HydrophobicContact CG-CD1 3.79Å; E53-L331 HydrophobicContact CG-CG 4.31Å; E53-L331 WeakPolarHBondContact OE1-CD1 3.33Å; E53-L331 VanDerWaalsContact OE1-CG 3.27Å; E53-L331 WeakPolarHBondContact OE1-CG 3.19Å; A57-L331 HydrophobicContact CB-CB 3.74Å; A57-L331 HydrophobicContact CB-CD1 4.46Å; A317-L331 HydrophobicContact CB-CD2 4.19Å; T319-L331 HydrophobicContact CG2-CD2 3.56Å
332L94.9Very high93.1Very high39 Ų3955.1 Ų55.120%0.20430%0.303CS..EExtended strand (participates in β ladder)trans-104.6-29.7172.3-60.1-175.1000112.3V318 F320 K330 I352 Y360V318-L332 HydrophobicContact CG1-CB 4.37Å; V318-L332 HydrophobicContact CG1-CD1 4.48Å; V318-L332 PolarHBondContact O-N 2.68Å; F320-L332 HydrophobicContact CB-CD1 3.76Å; F320-L332 HydrophobicContact CB-CD2 4.24Å; F320-L332 HydrophobicContact CB-CG 3.97Å; K330-L332 HydrophobicContact CD-CD2 4.14Å; K330-L332 HydrophobicContact CG-CD2 4.21Å; K330-L332 PolarHBondContact O-N 3.01Å; L332-I352 HydrophobicContact CB-CD1 3.51Å; L332-I352 HydrophobicContact CD1-CD1 3.72Å; L332-I352 HydrophobicContact CG-CD1 4.18Å; L332-Y360 HydrophobicContact CD1-CD1 3.57Å; L332-Y360 HydrophobicContact CD1-CE1 3.44Å; L332-Y360 VanDerWaalsContact CD1-CE1 3.44Å
333I94.6Very high93.1Very high17 Ų1754.5 Ų54.59%0.08730%0.301CS..EExtended strand (participates in β ladder)trans-126.1131.4164.9-70.6-179.1000106.6W306 V318W306-I333 HydrophobicContact CH2-CD1 3.41Å; W306-I333 VanDerWaalsContact CH2-CD1 3.41Å; W306-I333 HydrophobicContact CZ2-CD1 3.4Å; W306-I333 VanDerWaalsContact CZ2-CD1 3.4Å; V318-I333 HydrophobicContact CB-CB 3.94Å; V318-I333 HydrophobicContact CB-CD1 4.26Å; V318-I333 HydrophobicContact CB-CG1 4.14Å; V318-I333 HydrophobicContact CG2-CB 4.12Å; V318-I333 HydrophobicContact CG2-CD1 3.82Å; V318-I333 HydrophobicContact CG2-CG1 4.22Å; V318-I333 PolarHBondContact N-O 3.39Å; V318-I333 PolarHBondContact O-N 3.02Å; V318-I333 VanDerWaalsContact O-N 3.09Å
334P94.1Very high93.3Very high1 Ų156.5 Ų56.51%0.00631%0.307CS..EExtended strand (participates in β ladder)trans-58.9154.2-17924.1-34.1000110.9Y54 A57 I58 M123 L336Y54-P334 HydrophobicContact CD2-CB 3.44Å; Y54-P334 VanDerWaalsContact CD2-CB 3.44Å; Y54-P334 HydrophobicContact CD2-CG 4.27Å; Y54-P334 HydrophobicContact CE2-CB 3.61Å; Y54-P334 HydrophobicContact CE2-CG 4Å; Y54-P334 HydrophobicContact CG-CB 4.46Å; A57-P334 HydrophobicContact CB-CB 3.94Å; A57-P334 HydrophobicContact CB-CG 4.4Å; I58-P334 HydrophobicContact CG1-CG 3.96Å; M123-P334 HydrophobicContact SD-CG 3.86Å; P334-L336 HydrophobicContact CB-CG 4.45Å; P334-L336 HydrophobicContact CG-CD1 4.12Å; P334-L336 HydrophobicContact CG-CD2 4.25Å; P334-L336 HydrophobicContact CG-CG 4.04Å; P334-L336 WeakPolarHBondContact O-CG 3.44Å; P334-L336 PolarHBondContact O-N 2.92Å
335R94.5Very high93.4Very high71 Ų7153.8 Ų53.827%0.26830%0.295SS..EExtended strand (participates in β ladder)trans-69.8103.2173.7-170.7167.5-53.4-67.8-3.8110.1E315 F316 A317 E363E315-R335 HydrophobicContact CB-CG 4.04Å; E315-R335 HydrophobicContact CG-CG 4.41Å; E315-R335 WeakPolarHBondContact OE2-CD 3.38Å; F316-R335 WeakPolarHBondContact O-CA 3.41Å; A317-R335 HydrophobicContact CB-CB 4.17Å; A317-R335 HydrophobicContact CB-CG 4.47Å; R335-E363 IonicContact CZ-OE2 3.45Å; R335-E363 IonicContact NH1-OE2 2.67Å; R335-E363 IonicContact NH2-OE2 3.74Å; R335-E363 PolarHBondContact NH2-OE2 3.32Å
336L95.6Very high93.8Very high4 Ų452.4 Ų52.42%0.02128%0.28CS..EExtended strand (participates in β ladder)trans-110141.7-176.9-66.1170.8000110.6Y54 R119 M123 L180 E315 F316 P334 I338Y54-L336 HydrophobicContact CE2-CD2 3.87Å; R119-L336 HydrophobicContact CG-CD1 3.83Å; M123-L336 HydrophobicContact CG-CD1 4.22Å; M123-L336 HydrophobicContact SD-CD1 3.92Å; L180-L336 HydrophobicContact CD1-CD2 3.64Å; E315-L336 CarbonylContact C-O 3.59Å; E315-L336 VanDerWaalsContact CA-O 3.3Å; E315-L336 WeakPolarHBondContact CA-O 3.34Å; F316-L336 PolarHBondContact N-O 2.98Å; F316-L336 PolarHBondContact O-N 2.85Å; P334-L336 HydrophobicContact CB-CG 4.45Å; P334-L336 HydrophobicContact CG-CD1 4.12Å; P334-L336 HydrophobicContact CG-CD2 4.25Å; P334-L336 HydrophobicContact CG-CG 4.04Å; P334-L336 WeakPolarHBondContact O-CG 3.44Å; P334-L336 PolarHBondContact O-N 2.92Å; L336-I338 HydrophobicContact CB-CD1 3.82Å; L336-I338 HydrophobicContact CB-CG1 4.21Å; L336-I338 PolarHBondContact O-N 2.81Å
337C96.1Very high94.1Very high36 Ų3647 Ų4724%0.24325%0.252CS..EExtended strand (participates in β ladder)trans-74119.4164.6177.10000108.6I176I176-C337 HydrophobicContact CG2-CB 4.35Å; I176-C337 WeakPolarHBondContact CG2-O 3.39Å
338I97Very high94.7Very high0 Ų044.9 Ų44.90%023%0.23CC..EExtended strand (participates in β ladder)trans-117.8144.7-177.4-58.7-59.2000110.4C118 R119 F308 K313 T314 F316 L336 E348C118-I338 HydrophobicContact CB-CD1 4.47Å; C118-I338 HydrophobicContact CB-CG2 4.27Å; R119-I338 HydrophobicContact CB-CD1 3.7Å; R119-I338 HydrophobicContact CG-CD1 4.37Å; F308-I338 HydrophobicContact CE2-CG2 4.03Å; F308-I338 HydrophobicContact CZ-CB 4.28Å; F308-I338 HydrophobicContact CZ-CG2 3.85Å; K313-I338 WeakPolarHBondContact CA-O 3.35Å; T314-I338 PolarHBondContact N-O 2.93Å; T314-I338 PolarHBondContact O-N 2.85Å; F316-I338 HydrophobicContact CB-CG1 3.97Å; L336-I338 HydrophobicContact CB-CD1 3.82Å; L336-I338 HydrophobicContact CB-CG1 4.21Å; L336-I338 PolarHBondContact O-N 2.81Å; I338-E348 HydrophobicContact CG2-CB 4.39Å; I338-E348 HydrophobicContact CG2-CG 4.33Å
339V96.9Very high94.9Very high4 Ų440 Ų402%0.02421%0.211CC..  trans-129.7148.6166.2-69.40000109.4C118 Q172 M173 I176 K313 P341C118-V339 HydrophobicContact CB-CG2 4.2Å; C118-V339 VanDerWaalsContact CB-O 3.25Å; C118-V339 WeakPolarHBondContact CB-O 3.48Å; Q172-V339 HydrophobicContact CB-CG2 4.22Å; M173-V339 HydrophobicContact CG-CG2 4.09Å; I176-V339 HydrophobicContact CD1-CB 4.31Å; I176-V339 HydrophobicContact CD1-CG1 3.84Å; I176-V339 HydrophobicContact CD1-CG2 3.65Å; K313-V339 HydrophobicContact CB-CG1 4.3Å; K313-V339 HydrophobicContact CG-CG1 3.63Å; V339-P341 VanDerWaalsContact C-CD 3.48Å; V339-P341 WeakPolarHBondContact O-CD 3.35Å
340T97.2Very high95.1Very high9 Ų937.2 Ų37.26%0.05520%0.196CC..  trans-119.474.9171.359.80000109.4T310 L342 P343 E348T310-T340 HydrophobicContact CG2-CG2 4.35Å; T310-T340 PolarHBondContact N-OG1 2.78Å; T310-T340 PolarHBondContact O-OG1 2.98Å; T340-L342 VanDerWaalsContact C-N 3.26Å; T340-L342 PolarHBondContact O-N 2.8Å; T340-P343 WeakPolarHBondContact O-CD 3.47Å; T340-E348 HydrophobicContact CG2-CB 3.95Å
341P95.7Very high95.2Very high34 Ų3436.3 Ų36.322%0.22120%0.202CC..SBendtrans-69.9-22.8-172.127.9-35.4000113.3P169 M173 V339 P343P169-P341 HydrophobicContact CB-CB 3.82Å; P169-P341 HydrophobicContact CB-CG 3.75Å; P169-P341 HydrophobicContact CG-CB 4.26Å; M173-P341 HydrophobicContact CE-CG 3.91Å; M173-P341 HydrophobicContact CG-CG 4.33Å; M173-P341 HydrophobicContact SD-CG 4.38Å; V339-P341 VanDerWaalsContact C-CD 3.48Å; V339-P341 WeakPolarHBondContact O-CD 3.35Å; P341-P343 VanDerWaalsContact C-CD 3.5Å; P341-P343 WeakPolarHBondContact O-CD 3.48Å
342L95.3Very high95.3Very high47 Ų4736.9 Ų36.925%0.24621%0.205CC..SBendtrans-12166.5173.4-64.8176.2000109.5P169 T340 D344 K345 A346P169-L342 HydrophobicContact CB-CD1 3.98Å; P169-L342 HydrophobicContact CB-CG 3.88Å; P169-L342 HydrophobicContact CG-CD1 3.97Å; P169-L342 HydrophobicContact CG-CD2 3.79Å; P169-L342 HydrophobicContact CG-CG 3.68Å; T340-L342 VanDerWaalsContact C-N 3.26Å; T340-L342 PolarHBondContact O-N 2.8Å; L342-D344 PolarHBondContact O-N 2.92Å; L342-K345 HydrophobicContact CB-CB 4.24Å; L342-K345 PolarHBondContact O-N 3.24Å; L342-A346 CarbonylContact O-C 3.6Å; L342-A346 PolarHBondContact O-N 3.42Å
343P94Very high95.5Very high45 Ų4539.9 Ų39.929%0.29222%0.218SC..THydrogen-bonded Turntrans-64-18.7-165.528.2-36.1000114.2K309 T340 P341 P347K309-P343 HydrophobicContact CB-CB 3.99Å; K309-P343 HydrophobicContact CD-CB 3.94Å; K309-P343 WeakPolarHBondContact CE-O 3.31Å; K309-P343 HydrophobicContact CG-CB 3.92Å; K309-P343 PolarHBondContact NZ-O 3.02Å; T340-P343 WeakPolarHBondContact O-CD 3.47Å; P341-P343 VanDerWaalsContact C-CD 3.5Å; P341-P343 WeakPolarHBondContact O-CD 3.48Å; P343-P347 WeakPolarHBondContact O-CB 3.39Å
344D92.7Very high95.6Very high135 Ų13539.1 Ų39.172%0.72221%0.213SC*.THydrogen-bonded Turntrans-94-14.7177.5-59.1-38.1000113.6K309 L342K309-D344 IonicContact NZ-OD1 2.79Å; K309-D344 PolarHBondContact NZ-OD1 2.8Å; L342-D344 PolarHBondContact O-N 2.92Å
345K92.6Very high95.7Very high138 Ų13846.7 Ų46.760%0.625%0.246SC*.THydrogen-bonded Turntrans-104.1-43.6175.9-62.5-171.1175.5-169.90112.3A273 L342A273-K345 WeakPolarHBondContact CB-O 3.4Å; L342-K345 HydrophobicContact CB-CB 4.24Å; L342-K345 PolarHBondContact O-N 3.24Å
346A93.3Very high95.8Very high9 Ų947.3 Ų47.37%0.07425%0.252CS..SBendtrans-134.168.4-178.400000110L342L342-A346 CarbonylContact O-C 3.6Å; L342-A346 PolarHBondContact O-N 3.42Å
347P96.3Very high95.8Very high22 Ų2250 Ų5014%0.14327%0.271CS..  trans-61.8159.6164.729.4-33.5000110.1T117 I307 K309 P343 V349T117-P347 WeakPolarHBondContact CG2-O 3.36Å; I307-P347 HydrophobicContact CD1-CB 3.92Å; I307-P347 HydrophobicContact CD1-CG 3.78Å; I307-P347 HydrophobicContact CG1-CB 3.92Å; I307-P347 HydrophobicContact CG1-CG 4.22Å; K309-P347 HydrophobicContact CG-CB 4.01Å; P343-P347 WeakPolarHBondContact O-CB 3.39Å; P347-V349 HydrophobicContact CG-CG1 4.17Å; P347-V349 PolarHBondContact O-N 3.5Å
348E96.8Very high95.9Very high1 Ų148.6 Ų48.61%0.00526%0.263CS..EExtended strand (participates in β ladder)trans-72.9122.4171.3178.552.7-140.400108.6T117 R119 I307 F308 I338 T340T117-E348 WeakPolarHBondContact CB-OE2 3.21Å; T117-E348 PolarHBondContact OG1-OE2 2.87Å; R119-E348 VanDerWaalsContact CB-OE1 3.32Å; R119-E348 WeakPolarHBondContact CB-OE1 3.25Å; R119-E348 WeakPolarHBondContact CB-OE2 3.5Å; R119-E348 WeakPolarHBondContact CD-OE1 3.3Å; R119-E348 IonicContact CZ-OE1 3.17Å; R119-E348 PolarHBondContact N-OE2 2.85Å; R119-E348 IonicContact NE-OE1 2.78Å; R119-E348 PolarHBondContact NE-OE1 3.47Å; R119-E348 IonicContact NH2-OE1 2.71Å; I307-E348 CarbonylContact C-O 3.31Å; I307-E348 VanDerWaalsContact CA-O 3.25Å; I307-E348 WeakPolarHBondContact CA-O 3.31Å; F308-E348 HydrophobicContact CD1-CB 3.88Å; F308-E348 HydrophobicContact CD1-CG 3.7Å; F308-E348 HydrophobicContact CD2-CB 4.16Å; F308-E348 HydrophobicContact CE1-CB 3.67Å; F308-E348 HydrophobicContact CE1-CG 3.12Å; F308-E348 HydrophobicContact CE2-CB 3.94Å; F308-E348 HydrophobicContact CE2-CG 4.15Å; F308-E348 HydrophobicContact CG-CB 4.14Å; F308-E348 HydrophobicContact CG-CG 4.44Å; F308-E348 HydrophobicContact CZ-CB 3.71Å; F308-E348 HydrophobicContact CZ-CG 3.39Å; F308-E348 PolarHBondContact N-O 2.87Å; F308-E348 PolarHBondContact O-N 2.98Å; I338-E348 HydrophobicContact CG2-CB 4.39Å; I338-E348 HydrophobicContact CG2-CG 4.33Å; T340-E348 HydrophobicContact CG2-CB 3.95Å
349V96.7Very high95.9Very high41 Ų4150.2 Ų50.225%0.24827%0.273CS..EExtended strand (participates in β ladder)trans-130145.9179.1-64.50000109.4T117 R119 C276 W306 I307 P347T117-V349 HydrophobicContact CG2-CG2 4.22Å; R119-V349 PolarHBondContact NH2-O 2.81Å; C276-V349 HydrophobicContact CB-CG1 3.89Å; W306-V349 WeakPolarHBondContact O-CA 3.41Å; I307-V349 HydrophobicContact CB-CG1 4.21Å; I307-V349 HydrophobicContact CD1-CG1 4.19Å; I307-V349 HydrophobicContact CG1-CG1 3.9Å; P347-V349 HydrophobicContact CG-CG1 4.17Å; P347-V349 PolarHBondContact O-N 3.5Å
350G95.6Very high96Very high14 Ų1450.2 Ų50.214%0.14427%0.273CS..EExtended strand (participates in β ladder)trans-165.2169.8176.700000112.5R305 W306R305-G350 WeakPolarHBondContact CA-O 3.18Å; W306-G350 PolarHBondContact N-O 3.02Å; W306-G350 PolarHBondContact O-N 2.83Å; W306-G350 VanDerWaalsContact O-N 3.12Å
351S96.1Very high96Very high76 Ų7650 Ų5053%0.53127%0.272SS..EExtended strand (participates in β ladder)trans-144.2156.1176.658.80000110.1L304 W306L304-S351 CarbonylContact O-C 3.55Å; L304-S351 WeakPolarHBondContact O-CA 3.25Å; W306-S351 VanDerWaalsContact CZ3-C 3.46Å
352I96.2Very high96.2Very high31 Ų3148.4 Ų48.416%0.15926%0.261CS..EExtended strand (participates in β ladder)trans-143.7136.4167.4-163.6149.8000110.2T303 L304 W306 L332 Y360T303-I352 WeakPolarHBondContact CA-O 3.47Å; L304-I352 HydrophobicContact CB-CG2 3.98Å; L304-I352 HydrophobicContact CD2-CG2 4.38Å; L304-I352 PolarHBondContact N-O 2.96Å; L304-I352 PolarHBondContact O-N 3.43Å; W306-I352 HydrophobicContact CH2-CB 4.45Å; W306-I352 HydrophobicContact CZ3-CB 4.2Å; W306-I352 HydrophobicContact CZ3-CG2 4.07Å; L332-I352 HydrophobicContact CB-CD1 3.51Å; L332-I352 HydrophobicContact CD1-CD1 3.72Å; L332-I352 HydrophobicContact CG-CD1 4.18Å; I352-Y360 HydrophobicContact CG2-CD1 4.3Å
353H97.4Very high96.3Very high103 Ų10347.5 Ų47.548%0.47726%0.256SS..EExtended strand (participates in β ladder)trans-78.7122.9170.9-175.263.5000109.4G301 K355G301-H353 PolarHBondContact O-CE1 2.89Å; G301-H353 VanDerWaalsContact O-CE1 3.28Å; H353-K355 PolarHBondContact O-N 2.76Å
354C97.8Very high96.5Very high0 Ų045.4 Ų45.40%024%0.242CC..  trans-76.792.1-178-61.20000109.8A298 E300 G301 Q302 E356 Y360A298-C354 HydrophobicContact CB-CB 4.33Å; E300-C354 CarbonylContact C-O 3.56Å; E300-C354 WeakPolarHBondContact CA-O 3.49Å; G301-C354 PolarHBondContact N-O 2.95Å; Q302-C354 HydrophobicContact CB-CB 4.44Å; Q302-C354 VanDerWaalsContact O-CB 3.25Å; Q302-C354 WeakPolarHBondContact O-CB 3.03Å; Q302-C354 PolarHBondContact O-N 3.12Å; C354-E356 PolarHBondContact O-N 3.25Å; C354-Y360 WeakPolarHBondContact CA-OH 3.25Å; C354-Y360 HydrophobicContact CB-CE1 4.25Å; C354-Y360 HydrophobicContact CB-CE2 3.93Å; C354-Y360 WeakPolarHBondContact CB-OH 3.26Å
355K96Very high96.7Very high160 Ų16042.7 Ų42.770%0.69622%0.222SC*.  trans-70-19.8-179.9-65-178.6-179.7178.30113.8E300 H353 Y360E300-K355 WeakPolarHBondContact CG-O 3.05Å; H353-K355 PolarHBondContact O-N 2.76Å; K355-Y360 PolarHBondContact N-OH 2.93Å
356E96Very high96.9Very high84 Ų8436.2 Ų36.239%0.39319%0.193SC..SBendtrans-139.1144.4-175.3-63.5175-108.500109.2F320 K330 C354 Y360F320-E356 HydrophobicContact CE1-CB 4.1Å; F320-E356 HydrophobicContact CE2-CB 4.06Å; F320-E356 HydrophobicContact CZ-CB 3.53Å; K330-E356 IonicContact NZ-OE1 2.64Å; C354-E356 PolarHBondContact O-N 3.25Å; E356-Y360 PolarHBondContact N-OH 2.93Å; E356-Y360 WeakPolarHBondContact O-CE2 3.24Å; E356-Y360 PolarHBondContact O-OH 2.87Å
357S97Very high96.7Very high60 Ų6037.3 Ų37.342%0.4220%0.198SC..SBendtrans-75.1128.5173.5-60.70000110.1A298 E300A298-S357 WeakPolarHBondContact O-CA 3.39Å; E300-S357 PolarHBondContact N-OG 2.85Å
358G97.1Very high96.1Very high8 Ų844.8 Ų44.88%0.08223%0.228CC..EExtended strand (participates in β ladder)trans168.2-155.4-178.900000113.3S297 A298S297-G358 WeakPolarHBondContact CA-O 3.44Å; A298-G358 PolarHBondContact N-O 3.09Å; A298-G358 PolarHBondContact O-N 3.17Å
359V97.9Very high95.3Very high33 Ų3350 Ų5020%0.226%0.264CS..EExtended strand (participates in β ladder)trans-104.4113-178.1-1780000109.9K295 F320 T321 P323K295-V359 HydrophobicContact CB-CG1 3.91Å; K295-V359 HydrophobicContact CD-CG1 4.48Å; K295-V359 HydrophobicContact CG-CG1 4.31Å; F320-V359 WeakPolarHBondContact CA-O 3.28Å; T321-V359 PolarHBondContact N-O 3.09Å; T321-V359 PolarHBondContact O-N 3.45Å; P323-V359 HydrophobicContact CG-CG2 4.28Å
360Y98.4Very high94.5Very high4 Ų449.7 Ų49.72%0.01626%0.263CS..EExtended strand (participates in β ladder)trans-92.6135171-67.2-105.7000108.5I296 A298 L304 T319 F320 L332 I352 C354 K355 E356I296-Y360 PolarHBondContact N-O 3.02Å; I296-Y360 PolarHBondContact O-N 3.18Å; A298-Y360 HydrophobicContact CB-CD2 3.63Å; A298-Y360 HydrophobicContact CB-CE2 3.87Å; L304-Y360 HydrophobicContact CD2-CG 4.45Å; T319-Y360 CarbonylContact O-C 3.51Å; T319-Y360 VanDerWaalsContact O-CA 3.26Å; T319-Y360 WeakPolarHBondContact O-CA 3.48Å; F320-Y360 HydrophobicContact CD2-CD1 4.37Å; F320-Y360 AromaticContact CD2-CD2 3.95Å; F320-Y360 HydrophobicContact CD2-CD2 3.95Å; F320-Y360 HydrophobicContact CD2-CE1 4.01Å; F320-Y360 AromaticContact CD2-CE2 3.54Å; F320-Y360 HydrophobicContact CD2-CE2 3.54Å; F320-Y360 HydrophobicContact CD2-CG 4.33Å; F320-Y360 AromaticContact CD2-CZ 3.56Å; F320-Y360 HydrophobicContact CE2-CD2 4.41Å; F320-Y360 AromaticContact CE2-CE2 3.73Å; F320-Y360 HydrophobicContact CE2-CE2 3.73Å; F320-Y360 AromaticContact CE2-CZ 3.93Å; L332-Y360 HydrophobicContact CD1-CD1 3.57Å; L332-Y360 HydrophobicContact CD1-CE1 3.44Å; L332-Y360 VanDerWaalsContact CD1-CE1 3.44Å; I352-Y360 HydrophobicContact CG2-CD1 4.3Å; C354-Y360 WeakPolarHBondContact CA-OH 3.25Å; C354-Y360 HydrophobicContact CB-CE1 4.25Å; C354-Y360 HydrophobicContact CB-CE2 3.93Å; C354-Y360 WeakPolarHBondContact CB-OH 3.26Å; K355-Y360 PolarHBondContact N-OH 2.93Å; E356-Y360 PolarHBondContact N-OH 2.93Å; E356-Y360 WeakPolarHBondContact O-CE2 3.24Å; E356-Y360 PolarHBondContact O-OH 2.87Å
361S98.2Very high93.9Very high5 Ų558.2 Ų58.24%0.03530%0.296CS..EExtended strand (participates in β ladder)trans-123.2130.7179.8-53.80000112.2A294 V318 T319A294-S361 CarbonylContact O-C 3.52Å; A294-S361 VanDerWaalsContact O-CA 3.25Å; A294-S361 WeakPolarHBondContact O-CA 3.18Å; V318-S361 WeakPolarHBondContact CA-O 3.46Å; T319-S361 PolarHBondContact N-O 3.42Å; T319-S361 PolarHBondContact O-N 2.83Å; T319-S361 WeakPolarHBondContact OG1-CB 3.2Å
362L98.4Very high93.7Very high1 Ų162.1 Ų62.11%0.00530%0.304CS..EExtended strand (participates in β ladder)trans-88.4104.4165.1-54.5-178.6000107.5S293 A294 I296 L304 W306 F316 V318 F364 Y378 W380S293-L362 WeakPolarHBondContact CA-O 3.19Å; A294-L362 HydrophobicContact CB-CB 4.32Å; A294-L362 PolarHBondContact N-O 3.05Å; A294-L362 PolarHBondContact O-N 3.42Å; I296-L362 HydrophobicContact CD1-CD1 4.35Å; I296-L362 HydrophobicContact CD1-CG 3.93Å; L304-L362 HydrophobicContact CD2-CD2 4.27Å; W306-L362 HydrophobicContact CB-CD1 3.73Å; W306-L362 HydrophobicContact CB-CD2 4.37Å; W306-L362 HydrophobicContact CD2-CD2 3.97Å; W306-L362 HydrophobicContact CE3-CD2 3.97Å; W306-L362 HydrophobicContact CG-CD1 4.27Å; W306-L362 HydrophobicContact CG-CD2 4.15Å; F316-L362 HydrophobicContact CE2-CB 4.17Å; F316-L362 HydrophobicContact CE2-CD2 4.48Å; F316-L362 HydrophobicContact CZ-CD2 4.17Å; V318-L362 HydrophobicContact CG1-CD2 4.46Å; V318-L362 HydrophobicContact CG2-CD2 3.88Å; L362-F364 HydrophobicContact CB-CE2 3.86Å; L362-F364 HydrophobicContact CB-CZ 4.26Å; L362-F364 WeakPolarHBondContact O-CD2 3.39Å; L362-Y378 HydrophobicContact CD1-CD2 4.49Å; L362-W380 HydrophobicContact CD1-CB 4.01Å; L362-W380 HydrophobicContact CD1-CG 4.36Å
363E98Very high93.6Very high28 Ų2863.7 Ų63.713%0.13132%0.318CS..EExtended strand (participates in β ladder)trans-101.7124.1-173.5-56.9-167.3168.700111.6F316 A317 T319 R335F316-E363 VanDerWaalsContact CA-O 3.31Å; F316-E363 WeakPolarHBondContact CA-O 3.4Å; F316-E363 WeakPolarHBondContact CD2-O 3.33Å; A317-E363 PolarHBondContact N-O 2.92Å; A317-E363 PolarHBondContact O-N 2.76Å; T319-E363 VanDerWaalsContact CG2-CD 3.45Å; T319-E363 HydrophobicContact CG2-CG 4.06Å; T319-E363 WeakPolarHBondContact CG2-OE1 3.48Å; T319-E363 PolarHBondContact OG1-OE1 2.82Å; R335-E363 IonicContact CZ-OE2 3.45Å; R335-E363 IonicContact NH1-OE2 2.67Å; R335-E363 IonicContact NH2-OE2 3.74Å; R335-E363 PolarHBondContact NH2-OE2 3.32Å
364F98.3Very high93.5Very high0 Ų059.2 Ų59.20%030%0.298CS..EExtended strand (participates in β ladder)trans-116.7129.6178.5-56.9-88.7000109.5F284 L286 T291 Y292 F308 T314 E315 F316 L362 I376 Y378F284-F364 HydrophobicContact CE1-CD2 4.43Å; F284-F364 HydrophobicContact CE2-CB 4.33Å; F284-F364 HydrophobicContact CZ-CB 4.01Å; F284-F364 AromaticContact CZ-CD2 3.77Å; F284-F364 HydrophobicContact CZ-CD2 3.77Å; F284-F364 HydrophobicContact CZ-CE2 4.36Å; F284-F364 AromaticContact CZ-CG 3.85Å; F284-F364 HydrophobicContact CZ-CG 3.85Å; L286-F364 HydrophobicContact CD1-CB 3.95Å; T291-F364 CarbonylContact C-O 3.5Å; T291-F364 VanDerWaalsContact CA-O 3.22Å; T291-F364 WeakPolarHBondContact CA-O 3.3Å; T291-F364 WeakPolarHBondContact CG2-O 3.31Å; Y292-F364 HydrophobicContact CD1-CD2 4.05Å; Y292-F364 PolarHBondContact N-O 2.99Å; Y292-F364 PolarHBondContact O-N 3.33Å; F308-F364 HydrophobicContact CB-CE1 4.11Å; F308-F364 HydrophobicContact CB-CZ 4.33Å; F308-F364 AromaticContact CD1-CE1 3.77Å; F308-F364 HydrophobicContact CD1-CE1 3.77Å; F308-F364 HydrophobicContact CD1-CZ 4.22Å; F308-F364 AromaticContact CD2-CE1 3.92Å; F308-F364 HydrophobicContact CD2-CE1 3.92Å; F308-F364 HydrophobicContact CE1-CE1 4.03Å; F308-F364 HydrophobicContact CE2-CE1 4.21Å; F308-F364 AromaticContact CG-CE1 3.68Å; F308-F364 HydrophobicContact CG-CE1 3.68Å; F308-F364 HydrophobicContact CG-CZ 4.27Å; F308-F364 HydrophobicContact CZ-CE1 4.24Å; T314-F364 HydrophobicContact CG2-CB 4.4Å; T314-F364 HydrophobicContact CG2-CD1 4.37Å; E315-F364 CarbonylContact O-C 3.49Å; E315-F364 WeakPolarHBondContact O-CA 3.49Å; F316-F364 AromaticContact CD2-CD1 3.8Å; F316-F364 HydrophobicContact CD2-CD1 3.8Å; F316-F364 AromaticContact CD2-CE1 3.56Å; F316-F364 HydrophobicContact CD2-CE1 3.56Å; F316-F364 HydrophobicContact CD2-CG 4.48Å; F316-F364 HydrophobicContact CD2-CZ 4.05Å; F316-F364 HydrophobicContact CE2-CD1 4.4Å; F316-F364 AromaticContact CE2-CE1 3.77Å; F316-F364 HydrophobicContact CE2-CE1 3.77Å; F316-F364 HydrophobicContact CE2-CE2 4.44Å; F316-F364 AromaticContact CE2-CZ 3.81Å; F316-F364 HydrophobicContact CE2-CZ 3.81Å; L362-F364 HydrophobicContact CB-CE2 3.86Å; L362-F364 HydrophobicContact CB-CZ 4.26Å; L362-F364 WeakPolarHBondContact O-CD2 3.39Å; F364-I376 HydrophobicContact CB-CD1 3.78Å; F364-I376 HydrophobicContact CD1-CD1 3.89Å; F364-I376 HydrophobicContact CD1-CG2 4.05Å; F364-I376 HydrophobicContact CE1-CG2 4Å; F364-I376 HydrophobicContact CG-CD1 4.05Å; F364-I376 HydrophobicContact CZ-CG2 4.5Å; F364-Y378 HydrophobicContact CE2-CD2 4.42Å; F364-Y378 HydrophobicContact CE2-CG 4.43Å; F364-Y378 HydrophobicContact CZ-CD2 4.48Å; F364-Y378 HydrophobicContact CZ-CG 4.31Å
365R97.2Very high93.5Very high79 Ų7966.3 Ų66.330%0.29833%0.329SS..EExtended strand (participates in β ladder)trans-131.2133.2173.1-177.1-173.4-56158.5-7.6110.7K290 T291 E315K290-R365 WeakPolarHBondContact O-CA 3.39Å; T291-R365 HydrophobicContact CG2-CB 4.34Å; T291-R365 WeakPolarHBondContact OG1-CG 3.32Å; T291-R365 PolarHBondContact OG1-NE 3.04Å; E315-R365 HydrophobicContact CB-CB 4.07Å; E315-R365 PolarHBondContact N-O 3.47Å; E315-R365 PolarHBondContact O-N 2.94Å; E315-R365 VanDerWaalsContact OE2-CD 3.31Å; E315-R365 WeakPolarHBondContact OE2-CD 3.22Å; E315-R365 IonicContact OE2-CZ 3.45Å; E315-R365 IonicContact OE2-NE 2.95Å; E315-R365 IonicContact OE2-NH1 2.6Å; E315-R365 PolarHBondContact OE2-NH1 2.75Å
366N96.6Very high93.7Very high1 Ų158.8 Ų58.81%0.00530%0.296CS..EExtended strand (participates in β ladder)trans-80137.9167.9-168.22.1000109.5L286 G287 A288 G289 K290 T370 F372 V374L286-N366 HydrophobicContact CB-CB 3.89Å; L286-N366 PolarHBondContact O-ND2 2.66Å; G287-N366 VanDerWaalsContact O-CB 3.31Å; G287-N366 WeakPolarHBondContact O-CB 3.45Å; G287-N366 PolarHBondContact O-ND2 2.71Å; A288-N366 PolarHBondContact N-ND2 3.48Å; G289-N366 VanDerWaalsContact CA-O 3.23Å; G289-N366 WeakPolarHBondContact CA-O 3.33Å; G289-N366 PolarHBondContact N-O 3.24Å; G289-N366 VanDerWaalsContact N-O 3.14Å; K290-N366 PolarHBondContact O-N 2.95Å; N366-T370 WeakPolarHBondContact OD1-CG2 3.49Å; N366-F372 PolarHBondContact ND2-O 2.95Å; N366-V374 HydrophobicContact CB-CG2 3.83Å; N366-V374 PolarHBondContact ND2-N 2.83Å
367L89Confident93.8Very high32 Ų3255.8 Ų55.817%0.16828%0.284CS..  trans-56.9144.4179.9-63.5173.6000110.8G289 K313 E315 S369 T370G289-L367 PolarHBondContact N-O 2.96Å; K313-L367 HydrophobicContact CB-CD1 3.67Å; K313-L367 HydrophobicContact CD-CD1 4.22Å; E315-L367 HydrophobicContact CG-CD2 3.67Å; E315-L367 WeakPolarHBondContact OE1-CD2 3.38Å; L367-S369 VanDerWaalsContact C-N 3.27Å; L367-S369 PolarHBondContact O-N 2.71Å; L367-T370 HydrophobicContact CB-CG2 4.31Å; L367-T370 VanDerWaalsContact O-CG2 3.23Å; L367-T370 WeakPolarHBondContact O-CG2 3.45Å
368K82.7Confident93.8Very high180 Ų18053.6 Ų53.678%0.78327%0.267SS*.THydrogen-bonded Turntrans-71.3-25.3175.6-69.8-178.8179177.80112.5T370K368-T370 VanDerWaalsContact C-N 3.27Å; K368-T370 PolarHBondContact O-N 3.37Å
369S81.2Confident93.9Very high109 Ų10953.5 Ų53.576%0.76227%0.266SS*.THydrogen-bonded Turntrans-80.40-174.253.70000114.6L367L367-S369 VanDerWaalsContact C-N 3.27Å; L367-S369 PolarHBondContact O-N 2.71Å
370T80.1Confident93.9Very high35 Ų3556.7 Ų56.722%0.21528%0.275CS..  trans-105.9153.3177.1179.20000111.2A288 N366 L367 K368 F372A288-T370 HydrophobicContact CB-CG2 4.48Å; A288-T370 WeakPolarHBondContact CB-O 3.2Å; N366-T370 WeakPolarHBondContact OD1-CG2 3.49Å; L367-T370 HydrophobicContact CB-CG2 4.31Å; L367-T370 VanDerWaalsContact O-CG2 3.23Å; L367-T370 WeakPolarHBondContact O-CG2 3.45Å; K368-T370 VanDerWaalsContact C-N 3.27Å; K368-T370 PolarHBondContact O-N 3.37Å; T370-F372 PolarHBondContact OG1-N 3.35Å
371F83.1Confident93.9Very high194 Ų19458.8 Ų58.885%0.85129%0.288SS*.SBendtrans-94.5-12.2167.8-60.2-76.3000112.4
372F90.3Very high93.8Very high157 Ų15760.8 Ų60.869%0.68930%0.298SS*.SBendtrans-95.1137.9-173.1-56.5-72.4000111.4N366 T370N366-F372 PolarHBondContact ND2-O 2.95Å; T370-F372 PolarHBondContact OG1-N 3.35Å
373S94.6Very high93.7Very high65 Ų6567.4 Ų67.446%0.45533%0.329SS..PPolyproline II helixtrans-69.7142.9168-56.90000110.8L286L286-S373 CarbonylContact O-C 3.59Å; L286-S373 WeakPolarHBondContact O-CA 3.27Å; L286-S373 WeakPolarHBondContact O-CB 3.38Å
374V96.6Very high93.4Very high9 Ų969.4 Ų69.46%0.05534%0.339CS..EExtended strand (participates in β ladder)trans-98.5137.9170.3-63.80000109.9S285 L286 N366 I376S285-V374 CarbonylContact C-O 3.56Å; S285-V374 WeakPolarHBondContact CA-O 3.39Å; L286-V374 HydrophobicContact CB-CG2 3.92Å; L286-V374 PolarHBondContact N-O 2.85Å; L286-V374 PolarHBondContact O-N 3.48Å; N366-V374 HydrophobicContact CB-CG2 3.83Å; N366-V374 PolarHBondContact ND2-N 2.83Å; V374-I376 HydrophobicContact CG2-CD1 4.19Å; V374-I376 HydrophobicContact CG2-CG1 4.37Å
375K97.8Very high93.2Very high148 Ų14873 Ų7364%0.64336%0.356SS*.EExtended strand (participates in β ladder)trans-96.8129173.3-62.2179-177.2176.90108.5T310 S311T310-K375 WeakPolarHBondContact CA-O 3.16Å; S311-K375 PolarHBondContact N-O 3.36Å; S311-K375 PolarHBondContact OG-N 2.89Å
376I98.4Very high93Very high2 Ų272.7 Ų72.71%0.0136%0.36CS..EExtended strand (participates in β ladder)trans-122.4130-178.7-61.1170.7000108.2R283 F284 L286 K309 T314 F364 V374R283-I376 VanDerWaalsContact CA-O 3.31Å; R283-I376 WeakPolarHBondContact CA-O 3.41Å; F284-I376 HydrophobicContact CD1-CB 4.43Å; F284-I376 HydrophobicContact CD2-CB 4.49Å; F284-I376 HydrophobicContact CE1-CB 3.91Å; F284-I376 HydrophobicContact CE1-CG2 3.75Å; F284-I376 HydrophobicContact CE2-CB 4Å; F284-I376 HydrophobicContact CE2-CD1 3.7Å; F284-I376 HydrophobicContact CE2-CG1 4.33Å; F284-I376 HydrophobicContact CE2-CG2 4.47Å; F284-I376 HydrophobicContact CZ-CB 3.66Å; F284-I376 HydrophobicContact CZ-CD1 3.74Å; F284-I376 HydrophobicContact CZ-CG1 4.28Å; F284-I376 HydrophobicContact CZ-CG2 3.66Å; F284-I376 PolarHBondContact N-O 3.32Å; F284-I376 PolarHBondContact O-N 3.37Å; L286-I376 HydrophobicContact CD1-CD1 3.8Å; L286-I376 HydrophobicContact CG-CD1 4.38Å; K309-I376 WeakPolarHBondContact O-CA 3.46Å; T314-I376 HydrophobicContact CG2-CD1 3.66Å; F364-I376 HydrophobicContact CB-CD1 3.78Å; F364-I376 HydrophobicContact CD1-CD1 3.89Å; F364-I376 HydrophobicContact CD1-CG2 4.05Å; F364-I376 HydrophobicContact CE1-CG2 4Å; F364-I376 HydrophobicContact CG-CD1 4.05Å; F364-I376 HydrophobicContact CZ-CG2 4.5Å; V374-I376 HydrophobicContact CG2-CD1 4.19Å; V374-I376 HydrophobicContact CG2-CG1 4.37Å
377S98.3Very high92.8Very high21 Ų2176.9 Ų76.915%0.14738%0.381CS..EExtended strand (participates in β ladder)trans-113.8129.2165.161.80000108.8S282 F308 K309S282-S377 CarbonylContact O-C 3.46Å; S282-S377 WeakPolarHBondContact O-CA 3.4Å; F308-S377 CarbonylContact C-O 3.58Å; F308-S377 WeakPolarHBondContact CA-O 3.34Å; F308-S377 WeakPolarHBondContact CB-O 3.49Å; K309-S377 WeakPolarHBondContact CB-OG 3.23Å; K309-S377 PolarHBondContact N-O 2.86Å; K309-S377 PolarHBondContact O-N 3.35Å
378Y98.2Very high93Very high14 Ų1479.7 Ų79.76%0.05539%0.394CS..EExtended strand (participates in β ladder)trans-142.8161.3-176.180.4-72.5000112.2A280 A281 S282 F284 Y292 A294 I307 L362 F364 W380A280-Y378 CarbonylContact C-O 3.47Å; A280-Y378 VanDerWaalsContact C-O 3.31Å; A280-Y378 WeakPolarHBondContact CA-O 3.38Å; A281-Y378 PolarHBondContact N-O 3.2Å; S282-Y378 WeakPolarHBondContact CB-O 3.25Å; S282-Y378 PolarHBondContact N-O 3.48Å; S282-Y378 PolarHBondContact O-N 2.8Å; F284-Y378 AromaticContact CD1-CD1 3.91Å; F284-Y378 HydrophobicContact CD1-CD1 3.91Å; F284-Y378 AromaticContact CD1-CE1 3.72Å; F284-Y378 HydrophobicContact CD1-CE1 3.72Å; F284-Y378 AromaticContact CE1-CD1 3.45Å; F284-Y378 HydrophobicContact CE1-CD1 3.45Å; F284-Y378 VanDerWaalsContact CE1-CD1 3.45Å; F284-Y378 AromaticContact CE1-CE1 3.49Å; F284-Y378 HydrophobicContact CE1-CE1 3.49Å; F284-Y378 VanDerWaalsContact CE1-CE1 3.49Å; F284-Y378 HydrophobicContact CE1-CG 4.43Å; Y292-Y378 AromaticContact CE1-CE1 3.92Å; Y292-Y378 HydrophobicContact CE1-CE1 3.92Å; Y292-Y378 AromaticContact CE1-CZ 3.84Å; Y292-Y378 PolarHBondContact OH-OH 2.87Å; A294-Y378 HydrophobicContact CB-CE2 3.6Å; I307-Y378 CarbonylContact O-C 3.58Å; I307-Y378 WeakPolarHBondContact O-CA 3.46Å; L362-Y378 HydrophobicContact CD1-CD2 4.49Å; F364-Y378 HydrophobicContact CE2-CD2 4.42Å; F364-Y378 HydrophobicContact CE2-CG 4.43Å; F364-Y378 HydrophobicContact CZ-CD2 4.48Å; F364-Y378 HydrophobicContact CZ-CG 4.31Å; Y378-W380 AromaticContact CE2-CD1 3.79Å
379G98.2Very high93.7Very high7 Ų773 Ų737%0.07237%0.368CS..EExtended strand (participates in β ladder)trans-151.8157173.600000109.7Q279 W306 I307Q279-G379 WeakPolarHBondContact O-CA 3.41Å; W306-G379 WeakPolarHBondContact CA-O 3.2Å; I307-G379 PolarHBondContact N-O 3.28Å; I307-G379 PolarHBondContact O-N 3.48Å
380W97.9Very high94.6Very high99 Ų9970.4 Ų70.438%0.37534%0.34SS..EExtended strand (participates in β ladder)trans-151.5157.3176.560.9-91.5000110.1I296 L304 R305 W306 L362 Y378 L382I296-W380 HydrophobicContact CB-CH2 4.48Å; I296-W380 HydrophobicContact CB-CZ3 4.49Å; I296-W380 HydrophobicContact CD1-CD2 4.42Å; I296-W380 HydrophobicContact CG1-CD2 3.73Å; I296-W380 HydrophobicContact CG1-CE3 3.97Å; I296-W380 HydrophobicContact CG1-CG 4.32Å; I296-W380 HydrophobicContact CG1-CH2 4.01Å; I296-W380 HydrophobicContact CG1-CZ2 3.74Å; I296-W380 HydrophobicContact CG1-CZ3 4.11Å; I296-W380 HydrophobicContact CG2-CE3 3.96Å; I296-W380 HydrophobicContact CG2-CH2 3.84Å; I296-W380 HydrophobicContact CG2-CZ2 4.44Å; I296-W380 HydrophobicContact CG2-CZ3 3.57Å; L304-W380 HydrophobicContact CD1-CB 4.11Å; L304-W380 HydrophobicContact CD1-CE3 4.08Å; R305-W380 CarbonylContact O-C 3.44Å; R305-W380 WeakPolarHBondContact O-CA 3.35Å; R305-W380 WeakPolarHBondContact O-CB 3.35Å; W306-W380 HydrophobicContact CB-CB 4.24Å; L362-W380 HydrophobicContact CD1-CB 4.01Å; L362-W380 HydrophobicContact CD1-CG 4.36Å; Y378-W380 AromaticContact CE2-CD1 3.79Å; W380-L382 HydrophobicContact CE3-CG 4.38Å; W380-L382 HydrophobicContact CZ3-CD1 4.19Å; W380-L382 HydrophobicContact CZ3-CG 3.98Å
381V97.9Very high95.7Very high48 Ų4873.2 Ų73.229%0.29135%0.349SS..EExtended strand (participates in β ladder)trans-136.4149.8172.1-62.90000109.3I278 R305 E383I278-V381 HydrophobicContact CD1-CG2 3.84Å; I278-V381 HydrophobicContact CG1-CG1 4.38Å; I278-V381 HydrophobicContact CG1-CG2 3.97Å; I278-V381 HydrophobicContact CG2-CG1 4.37Å; R305-V381 HydrophobicContact CB-CG2 3.94Å; R305-V381 PolarHBondContact N-O 3.03Å; R305-V381 PolarHBondContact O-N 2.81Å; V381-E383 HydrophobicContact CG2-CG 4.34Å
382L97.5Very high96.7Very high47 Ų4763.1 Ų63.125%0.24631%0.308CS..EExtended strand (participates in β ladder)trans-110.4130.2166.1-80.2174.8000108I296 S297 A298 Q302 L304 W380I296-L382 HydrophobicContact CG2-CD1 3.45Å; I296-L382 VanDerWaalsContact CG2-CD1 3.45Å; I296-L382 HydrophobicContact CG2-CD2 4.14Å; I296-L382 HydrophobicContact CG2-CG 3.76Å; S297-L382 WeakPolarHBondContact O-CD1 3.45Å; A298-L382 HydrophobicContact CB-CD1 4.03Å; A298-L382 HydrophobicContact CB-CD2 3.65Å; Q302-L382 HydrophobicContact CB-CD2 4.47Å; L304-L382 HydrophobicContact CB-CD2 3.81Å; L304-L382 HydrophobicContact CD1-CD2 4.09Å; L304-L382 HydrophobicContact CD1-CG 4.45Å; W380-L382 HydrophobicContact CE3-CG 4.38Å; W380-L382 HydrophobicContact CZ3-CD1 4.19Å; W380-L382 HydrophobicContact CZ3-CG 3.98Å
383E95.2Very high97.3Very high140 Ų14054.5 Ų54.565%0.65427%0.273SS*.  trans-120.10180-65.5-179.5154.500111.9Q302 T303 R305 V381Q302-E383 CarbonylContact C-O 3.54Å; Q302-E383 WeakPolarHBondContact CA-O 3.34Å; Q302-E383 WeakPolarHBondContact CB-O 3.15Å; T303-E383 PolarHBondContact N-O 3.5Å; T303-E383 PolarHBondContact O-N 3.27Å; R305-E383 IonicContact CZ-OE1 3.31Å; R305-E383 IonicContact CZ-OE2 3.49Å; R305-E383 VanDerWaalsContact NE-CD 3.31Å; R305-E383 IonicContact NE-OE1 3.68Å; R305-E383 PolarHBondContact NE-OE1 3.3Å; R305-E383 IonicContact NE-OE2 3Å; R305-E383 PolarHBondContact NE-OE2 2.96Å; R305-E383 IonicContact NH2-OE1 3.31Å; R305-E383 PolarHBondContact NH2-OE1 2.93Å; R305-E383 IonicContact NH2-OE2 3.5Å; R305-E383 PolarHBondContact NH2-OE2 2.91Å; V381-E383 HydrophobicContact CG2-CG 4.34Å

Retrieved 383 of 383 residues in 387.7 ms (Link to these results)

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