A0A087X617_POEFO Loading...

Serine and arginine rich splicing factor 4

AlphaFold DB , UniProt , Accession A0A087X617, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 363 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
1M58.6Low80.8Confident185 Ų18565.7 Ų65.791%0.91128%0.283SS*.  0106.10-84.6177.8172.800105.5
2S80.1Confident80.3Confident19 Ų1977.5 Ų77.513%0.13332%0.324CS..  trans-113.219.1-159.4-38.40000111.7F42 P45S2-F42 WeakPolarHBondContact CB-O 3.34Å; S2-F42 WeakPolarHBondContact O-CB 3.43Å; S2-F42 WeakPolarHBondContact O-CD2 3.11Å; S2-F42 PolarHBondContact O-N 3.38Å; S2-P45 WeakPolarHBondContact OG-CD 3.28Å
3R85.1Confident79.9Confident57 Ų5773.1 Ų73.122%0.21531%0.312CS..EExtended strand (participates in β ladder)trans-92.6126.5-174.5-167.5-178.5-179.9118.7-1.4110.9D32 F39 V40 E41 T70R3-D32 IonicContact NH2-OD1 3.17Å; R3-F39 HydrophobicContact CG-CB 4.47Å; R3-V40 CarbonylContact C-O 3.48Å; R3-V40 WeakPolarHBondContact CA-O 3.37Å; R3-E41 HydrophobicContact CB-CG 4.33Å; R3-E41 HydrophobicContact CG-CB 4.41Å; R3-E41 IonicContact NH1-OE2 2.71Å; R3-E41 PolarHBondContact NH1-OE2 3.46Å; R3-T70 WeakPolarHBondContact O-CB 3.21Å; R3-T70 PolarHBondContact O-N 3.09Å; R3-T70 PolarHBondContact O-OG1 3.24Å
4V88.3Confident80.1Confident0 Ų080.9 Ų80.90%034%0.339CS..EExtended strand (participates in β ladder)trans-108.5136.4-179.3177.60000109F39 V40 F42 A48 V52 V67 E68V4-F39 CarbonylContact O-C 3.5Å; V4-F39 VanDerWaalsContact O-CA 3.22Å; V4-F39 WeakPolarHBondContact O-CA 2.78Å; V4-V40 PolarHBondContact N-O 3.36Å; V4-V40 PolarHBondContact O-N 3.07Å; V4-F42 HydrophobicContact CB-CD2 4.48Å; V4-F42 HydrophobicContact CB-CE2 4.08Å; V4-F42 HydrophobicContact CG2-CD2 3.8Å; V4-F42 HydrophobicContact CG2-CE2 3.66Å; V4-A48 HydrophobicContact CG2-CB 3.68Å; V4-V52 HydrophobicContact CB-CG2 4.43Å; V4-V52 HydrophobicContact CG1-CG2 3.75Å; V4-V52 HydrophobicContact CG2-CG2 3.83Å; V4-V67 HydrophobicContact CG1-CG1 3.26Å; V4-E68 CarbonylContact C-O 3.25Å
5Y89.1Confident80.4Confident75 Ų7583 Ų8329%0.29435%0.352SS..EExtended strand (participates in β ladder)trans-95.9140.6170.8167.5-104.7000108.9G7 Y37 G38 F39 V67 E68 T70Y5-G7 WeakPolarHBondContact OH-CA 3.36Å; Y5-Y37 AromaticContact CE2-CD2 3.86Å; Y5-Y37 HydrophobicContact CE2-CD2 3.86Å; Y5-Y37 HydrophobicContact CE2-CG 4.13Å; Y5-G38 WeakPolarHBondContact CD2-O 3.49Å; Y5-F39 HydrophobicContact CD2-CD1 4.01Å; Y5-F39 AromaticContact CD2-CE1 3.55Å; Y5-F39 HydrophobicContact CD2-CE1 3.55Å; Y5-F39 AromaticContact CD2-CZ 3.98Å; Y5-F39 HydrophobicContact CD2-CZ 3.98Å; Y5-F39 HydrophobicContact CE2-CE1 4.43Å; Y5-F39 HydrophobicContact CE2-CZ 4.44Å; Y5-F39 HydrophobicContact CG-CE1 4.32Å; Y5-V67 WeakPolarHBondContact O-CA 3.22Å; Y5-E68 HydrophobicContact CD1-CB 4.33Å; Y5-E68 PolarHBondContact N-O 3.28Å; Y5-E68 PolarHBondContact O-N 2.84Å; Y5-T70 PolarHBondContact N-OG1 3.05Å; Y5-T70 VanDerWaalsContact N-OG1 3.09Å
6I87.3Confident80.6Confident0 Ų088 Ų880%037%0.374CS..EExtended strand (participates in β ladder)trans-122.7108.3175.4-45.4162.3000107.9L9 V18 F22 Y37 G38 V40 V65 I66 V67I6-L9 HydrophobicContact CB-CD1 3.73Å; I6-L9 HydrophobicContact CB-CG 4.3Å; I6-L9 HydrophobicContact CD1-CD1 4.38Å; I6-L9 HydrophobicContact CG2-CD1 3.61Å; I6-L9 HydrophobicContact CG2-CD2 4.02Å; I6-L9 HydrophobicContact CG2-CG 3.62Å; I6-V18 HydrophobicContact CD1-CG1 3.62Å; I6-V18 HydrophobicContact CD1-CG2 4.46Å; I6-F22 HydrophobicContact CD1-CD2 4.33Å; I6-F22 HydrophobicContact CD1-CE2 3.36Å; I6-F22 HydrophobicContact CD1-CZ 3.8Å; I6-F22 HydrophobicContact CG1-CE2 3.98Å; I6-F22 HydrophobicContact CG1-CZ 3.89Å; I6-Y37 CarbonylContact O-C 3.57Å; I6-Y37 WeakPolarHBondContact O-CA 3.38Å; I6-Y37 WeakPolarHBondContact O-CB 3.41Å; I6-G38 PolarHBondContact N-O 2.8Å; I6-G38 PolarHBondContact O-N 3.02Å; I6-V40 HydrophobicContact CD1-CG2 3.55Å; I6-V40 HydrophobicContact CG1-CG2 4.49Å; I6-V65 HydrophobicContact CG2-CB 3.93Å; I6-V65 HydrophobicContact CG2-CG1 4Å; I6-I66 CarbonylContact C-O 3.49Å; I6-I66 VanDerWaalsContact CA-O 3.27Å; I6-I66 WeakPolarHBondContact CA-O 3.41Å; I6-V67 HydrophobicContact CG2-CG2 4.44Å
7G84.4Confident80.9Confident2 Ų286.2 Ų86.22%0.02137%0.37CS..EExtended strand (participates in β ladder)trans-95.8162.5172.700000112.4Y5 L9 V65 I66Y5-G7 WeakPolarHBondContact OH-CA 3.36Å; G7-L9 VanDerWaalsContact C-N 3.29Å; G7-L9 PolarHBondContact O-N 3.41Å; G7-V65 WeakPolarHBondContact O-CA 3.49Å; G7-I66 PolarHBondContact N-O 2.89Å; G7-I66 PolarHBondContact O-N 3.16Å
8R82.2Confident81.1Confident170 Ų17081.4 Ų81.464%0.64235%0.349SS*.SBendtrans5742178.3-50.2-174.780.4167.55.8112.6G36 R64 I66R8-G36 PolarHBondContact N-O 2.77Å; R8-R64 WeakPolarHBondContact CB-O 3.34Å; R8-I66 HydrophobicContact CG-CD1 4.02Å; R8-I66 HydrophobicContact CG-CG1 4.28Å
9L81.2Confident81.2Confident5 Ų582.5 Ų82.53%0.02636%0.356CS..  trans-78.3125.7169.4-84.6161000109.4I6 G7 A13 V18 L33 G36 L60 V65I6-L9 HydrophobicContact CB-CD1 3.73Å; I6-L9 HydrophobicContact CB-CG 4.3Å; I6-L9 HydrophobicContact CD1-CD1 4.38Å; I6-L9 HydrophobicContact CG2-CD1 3.61Å; I6-L9 HydrophobicContact CG2-CD2 4.02Å; I6-L9 HydrophobicContact CG2-CG 3.62Å; G7-L9 VanDerWaalsContact C-N 3.29Å; G7-L9 PolarHBondContact O-N 3.41Å; L9-A13 HydrophobicContact CD2-CB 3.83Å; L9-V18 HydrophobicContact CD2-CG2 4.08Å; L9-L33 HydrophobicContact CD1-CD2 3.51Å; L9-G36 PolarHBondContact N-O 3.35Å; L9-G36 VanDerWaalsContact N-O 3.12Å; L9-G36 WeakPolarHBondContact O-CA 3.49Å; L9-L60 HydrophobicContact CD2-CD1 3.95Å; L9-V65 HydrophobicContact CD2-CG1 3.69Å; L9-V65 HydrophobicContact CG-CG1 3.93Å
10S76.8Confident81.3Confident15 Ų1588.2 Ų88.211%0.10538%0.375CS..  trans-51.3141.1171.7-1790000111.2R12 A13 E63S10-R12 PolarHBondContact O-N 3.31Å; S10-R12 PolarHBondContact OG-N 2.91Å; S10-A13 VanDerWaalsContact O-CB 3.32Å; S10-A13 WeakPolarHBondContact O-CB 3.11Å; S10-A13 PolarHBondContact O-N 2.87Å; S10-E63 WeakPolarHBondContact CA-OE2 3.48Å; S10-E63 PolarHBondContact N-OE2 3.24Å
11Y75.3Confident81.4Confident195 Ų19585.6 Ų85.677%0.76536%0.364SS*.THydrogen-bonded Turntrans-57.2-11.4174.8-62.4-81.3000114.5
12R74.9Confident82.5Confident207 Ų20776.8 Ų76.878%0.78132%0.321SS*.THydrogen-bonded Turntrans-92.6-16.7175-66.5-177.2173.2-169.4-1.8114S10S10-R12 PolarHBondContact O-N 3.31Å; S10-R12 PolarHBondContact OG-N 2.91Å
13A75.3Confident82.5Confident20 Ų2083.4 Ų83.417%0.16535%0.348CS..  trans-69.4129.5-177.500000110.9L9 S10L9-A13 HydrophobicContact CD2-CB 3.83Å; S10-A13 VanDerWaalsContact O-CB 3.32Å; S10-A13 WeakPolarHBondContact O-CB 3.11Å; S10-A13 PolarHBondContact O-N 2.87Å
14R82.9Confident82.2Confident182 Ų18284.4 Ų84.469%0.68738%0.376SS*.  trans-116.2172.1178.4-51.2-174.7-165.7179.84.9110.9K16 D17 V18 L33R14-K16 PolarHBondContact O-N 3.38Å; R14-D17 WeakPolarHBondContact CB-OD2 3.16Å; R14-D17 PolarHBondContact N-OD2 3.41Å; R14-D17 WeakPolarHBondContact O-CB 3.33Å; R14-D17 PolarHBondContact O-N 3.28Å; R14-V18 PolarHBondContact O-N 3.44Å; R14-V18 VanDerWaalsContact O-N 3.09Å; R14-L33 VanDerWaalsContact C-CD1 3.42Å
15E84Confident81.7Confident113 Ų11387.4 Ų87.453%0.52839%0.387SS..Hα-helixtrans-50.6-43.8176.9-159.1-175153.100112.3D17 V18 E19 V31 L33E15-D17 VanDerWaalsContact C-N 3.29Å; E15-D17 PolarHBondContact O-N 2.95Å; E15-V18 PolarHBondContact O-N 3.28Å; E15-E19 VanDerWaalsContact O-CB 3.23Å; E15-E19 WeakPolarHBondContact O-CB 3.28Å; E15-E19 PolarHBondContact O-N 2.96Å; E15-V31 HydrophobicContact CG-CB 3.84Å; E15-V31 HydrophobicContact CG-CG1 3.78Å; E15-V31 HydrophobicContact CG-CG2 4.46Å; E15-L33 HydrophobicContact CB-CD1 3.98Å
16K85.1Confident81.3Confident163 Ų16384.9 Ų84.971%0.70938%0.384SS*.Hα-helixtrans-65.8-27.1178.4-61.3-174.2178.4-175.10114.4R14 R20R14-K16 PolarHBondContact O-N 3.38Å; K16-R20 WeakPolarHBondContact O-CB 3.18Å; K16-R20 PolarHBondContact O-N 2.87Å; K16-R20 VanDerWaalsContact O-N 3.17Å
17D85.3Confident81Confident57 Ų5791.9 Ų91.931%0.30541%0.414SS..Hα-helixtrans-79.9-41.8178.6-53.3-54.8000109.6R14 E15 R20 F21R14-D17 WeakPolarHBondContact CB-OD2 3.16Å; R14-D17 PolarHBondContact N-OD2 3.41Å; R14-D17 WeakPolarHBondContact O-CB 3.33Å; R14-D17 PolarHBondContact O-N 3.28Å; E15-D17 VanDerWaalsContact C-N 3.29Å; E15-D17 PolarHBondContact O-N 2.95Å; D17-R20 PolarHBondContact O-N 3.46Å; D17-F21 WeakPolarHBondContact O-CB 3.26Å; D17-F21 PolarHBondContact O-N 3.41Å
18V83.3Confident81.1Confident0 Ų094 Ų940%043%0.425CS..Hα-helixtrans-63.8-51.5172.5173.30000110.7I6 L9 R14 E15 R20 F21 F22 V31 L33 V40I6-V18 HydrophobicContact CD1-CG1 3.62Å; I6-V18 HydrophobicContact CD1-CG2 4.46Å; L9-V18 HydrophobicContact CD2-CG2 4.08Å; R14-V18 PolarHBondContact O-N 3.44Å; R14-V18 VanDerWaalsContact O-N 3.09Å; E15-V18 PolarHBondContact O-N 3.28Å; V18-R20 VanDerWaalsContact C-N 3.29Å; V18-R20 PolarHBondContact O-N 3.33Å; V18-F21 WeakPolarHBondContact O-CB 3.47Å; V18-F21 PolarHBondContact O-N 3.34Å; V18-F22 HydrophobicContact CG1-CD2 3.7Å; V18-F22 HydrophobicContact CG1-CE2 3.89Å; V18-F22 VanDerWaalsContact O-CD2 3.3Å; V18-F22 WeakPolarHBondContact O-CD2 3.39Å; V18-F22 PolarHBondContact O-N 2.9Å; V18-V31 HydrophobicContact CG1-CG1 4.17Å; V18-L33 HydrophobicContact CB-CD1 4.4Å; V18-L33 HydrophobicContact CG2-CD1 4Å; V18-L33 HydrophobicContact CG2-CD2 3.96Å; V18-V40 HydrophobicContact CG1-CG2 3.58Å
19E84.4Confident81.3Confident103 Ų10391.2 Ų91.248%0.48142%0.422SS..Hα-helixtrans-53.6-46.3176-170-161.4167.600110.8E15 F21 K23 I28E15-E19 VanDerWaalsContact O-CB 3.23Å; E15-E19 WeakPolarHBondContact O-CB 3.28Å; E15-E19 PolarHBondContact O-N 2.96Å; E19-F21 VanDerWaalsContact C-N 3.32Å; E19-F21 PolarHBondContact O-N 3.28Å; E19-K23 WeakPolarHBondContact O-CB 3.4Å; E19-K23 PolarHBondContact O-N 3.43Å; E19-I28 HydrophobicContact CG-CD1 4.31Å
20R82.7Confident81.3Confident195 Ų19596.2 Ų96.274%0.73645%0.445SS*.Hα-helixtrans-64.3-33.1175.9-179-177.9-61-93.7-2.2113.5K16 D17 V18 K23K16-R20 WeakPolarHBondContact O-CB 3.18Å; K16-R20 PolarHBondContact O-N 2.87Å; K16-R20 VanDerWaalsContact O-N 3.17Å; D17-R20 PolarHBondContact O-N 3.46Å; V18-R20 VanDerWaalsContact C-N 3.29Å; V18-R20 PolarHBondContact O-N 3.33Å; R20-K23 WeakPolarHBondContact O-CB 3.48Å
21F82.8Confident81.7Confident34 Ų3496.7 Ų96.715%0.14945%0.448CS..Hα-helixtrans-78.4-35-177.6178.6-103.8000112.8D17 V18 E19 L55 K58 L60 V65D17-F21 WeakPolarHBondContact O-CB 3.26Å; D17-F21 PolarHBondContact O-N 3.41Å; V18-F21 WeakPolarHBondContact O-CB 3.47Å; V18-F21 PolarHBondContact O-N 3.34Å; E19-F21 VanDerWaalsContact C-N 3.32Å; E19-F21 PolarHBondContact O-N 3.28Å; F21-L55 HydrophobicContact CD1-CB 4.45Å; F21-L55 HydrophobicContact CD1-CD1 4.09Å; F21-L55 HydrophobicContact CD1-CD2 4.17Å; F21-L55 HydrophobicContact CD1-CG 4.48Å; F21-L55 HydrophobicContact CD2-CD2 4.4Å; F21-L55 HydrophobicContact CE1-CB 3.63Å; F21-L55 HydrophobicContact CE1-CD1 4.09Å; F21-L55 HydrophobicContact CE1-CD2 3.88Å; F21-L55 HydrophobicContact CE1-CG 4.08Å; F21-L55 HydrophobicContact CE2-CD2 4.09Å; F21-L55 HydrophobicContact CG-CD2 4.46Å; F21-L55 HydrophobicContact CZ-CB 3.92Å; F21-L55 HydrophobicContact CZ-CD2 3.84Å; F21-L55 HydrophobicContact CZ-CG 4.4Å; F21-K58 HydrophobicContact CE2-CB 3.79Å; F21-K58 HydrophobicContact CE2-CD 4.04Å; F21-K58 HydrophobicContact CZ-CB 3.63Å; F21-K58 HydrophobicContact CZ-CD 4.26Å; F21-L60 HydrophobicContact CB-CD1 4.25Å; F21-L60 HydrophobicContact CB-CD2 4Å; F21-L60 HydrophobicContact CD1-CD1 3.56Å; F21-L60 HydrophobicContact CD1-CG 4.17Å; F21-L60 HydrophobicContact CD2-CD1 4.01Å; F21-L60 HydrophobicContact CD2-CD2 3.63Å; F21-L60 HydrophobicContact CD2-CG 3.67Å; F21-L60 HydrophobicContact CE1-CD1 3.63Å; F21-L60 HydrophobicContact CE1-CG 4.13Å; F21-L60 HydrophobicContact CE2-CD1 4.1Å; F21-L60 HydrophobicContact CE2-CD2 4.12Å; F21-L60 HydrophobicContact CE2-CG 3.66Å; F21-L60 HydrophobicContact CG-CD1 3.72Å; F21-L60 HydrophobicContact CG-CD2 3.86Å; F21-L60 HydrophobicContact CG-CG 3.91Å; F21-L60 HydrophobicContact CZ-CD1 3.9Å; F21-L60 HydrophobicContact CZ-CG 3.88Å; F21-V65 HydrophobicContact CE1-CG2 4.03Å; F21-V65 HydrophobicContact CZ-CG2 3.82Å
22F82.4Confident82.2Confident0 Ų089.5 Ų89.50%042%0.423CS..Hα-helixtrans-86.4-9.5172.1-71.7-80.8000113I6 V18 G24 Y25 I28 V40 F42 A51 L55 V67I6-F22 HydrophobicContact CD1-CD2 4.33Å; I6-F22 HydrophobicContact CD1-CE2 3.36Å; I6-F22 HydrophobicContact CD1-CZ 3.8Å; I6-F22 HydrophobicContact CG1-CE2 3.98Å; I6-F22 HydrophobicContact CG1-CZ 3.89Å; V18-F22 HydrophobicContact CG1-CD2 3.7Å; V18-F22 HydrophobicContact CG1-CE2 3.89Å; V18-F22 VanDerWaalsContact O-CD2 3.3Å; V18-F22 WeakPolarHBondContact O-CD2 3.39Å; V18-F22 PolarHBondContact O-N 2.9Å; F22-G24 PolarHBondContact O-N 3.24Å; F22-Y25 PolarHBondContact O-N 3.32Å; F22-I28 HydrophobicContact CB-CD1 3.77Å; F22-I28 HydrophobicContact CB-CG1 4.46Å; F22-V40 HydrophobicContact CD2-CG2 4.28Å; F22-V40 HydrophobicContact CE2-CG2 4.34Å; F22-F42 HydrophobicContact CB-CE1 4.39Å; F22-F42 HydrophobicContact CB-CZ 3.98Å; F22-F42 HydrophobicContact CD1-CE1 4.47Å; F22-F42 HydrophobicContact CD1-CE2 4.19Å; F22-F42 AromaticContact CD1-CZ 3.49Å; F22-F42 HydrophobicContact CD1-CZ 3.49Å; F22-F42 VanDerWaalsContact CD1-CZ 3.49Å; F22-F42 HydrophobicContact CE1-CZ 4.25Å; F22-F42 AromaticContact CG-CZ 3.94Å; F22-F42 HydrophobicContact CG-CZ 3.94Å; F22-A51 HydrophobicContact CD1-CB 3.9Å; F22-A51 HydrophobicContact CE1-CB 4.07Å; F22-L55 HydrophobicContact CD1-CD1 3.13Å; F22-L55 HydrophobicContact CE1-CB 4.32Å; F22-L55 HydrophobicContact CE1-CD1 3.26Å; F22-L55 HydrophobicContact CE1-CG 4.4Å; F22-L55 HydrophobicContact CG-CD1 3.86Å; F22-L55 HydrophobicContact CZ-CD1 4.01Å; F22-V67 HydrophobicContact CE1-CG1 4Å; F22-V67 HydrophobicContact CZ-CG1 3.94Å; F22-V67 HydrophobicContact CZ-CG2 4.23Å
23K79.7Confident82.7Confident159 Ų15982.2 Ų82.269%0.69140%0.399SS*.THydrogen-bonded Turntrans-64.6115175.1-173.6170-171.6164.90111.5E19 R20E19-K23 WeakPolarHBondContact O-CB 3.4Å; E19-K23 PolarHBondContact O-N 3.43Å; R20-K23 WeakPolarHBondContact O-CB 3.48Å
24G78.8Confident83.1Confident78 Ų7885.3 Ų85.380%0.80441%0.408SS*.THydrogen-bonded Turntrans119.5-21.8-178.900000113F22F22-G24 PolarHBondContact O-N 3.24Å
25Y78.3Confident82.9Confident63 Ų6383.5 Ų83.525%0.24741%0.413CS..THydrogen-bonded Turntrans-91.3-31.8176.9-68.6-81.9000112.9F22 D47 A51 D54 L55 K58F22-Y25 PolarHBondContact O-N 3.32Å; Y25-D47 VanDerWaalsContact O-CB 3.26Å; Y25-D47 WeakPolarHBondContact O-CB 3.3Å; Y25-D47 VanDerWaalsContact O-CG 3.3Å; Y25-A51 HydrophobicContact CG-CB 4.31Å; Y25-D54 HydrophobicContact CE1-CB 3.54Å; Y25-D54 WeakPolarHBondContact CE1-OD2 3.48Å; Y25-D54 WeakPolarHBondContact OH-CB 3.43Å; Y25-D54 PolarHBondContact OH-OD2 2.91Å; Y25-L55 HydrophobicContact CD2-CD1 3.83Å; Y25-L55 HydrophobicContact CD2-CD2 4.27Å; Y25-L55 HydrophobicContact CD2-CG 4.26Å; Y25-L55 HydrophobicContact CE2-CD1 4.07Å; Y25-L55 HydrophobicContact CE2-CD2 3.66Å; Y25-L55 HydrophobicContact CE2-CG 4.02Å; Y25-L55 HydrophobicContact CG-CD1 4.38Å; Y25-K58 PolarHBondContact OH-NZ 2.97Å
26G80Confident82.4Confident22 Ų2279.2 Ų79.223%0.22740%0.399CS..  trans-175.6-177.6174.500000114.9D47G26-D47 WeakPolarHBondContact CA-OD2 3.47Å
27K81.5Confident82.5Confident146 Ų14675.8 Ų75.864%0.63538%0.382SS*.  trans-84.6128.1168.5-71.4-177.8-174.4171.80110.2F42 D43K27-F42 WeakPolarHBondContact O-CA 3.41Å; K27-D43 HydrophobicContact CB-CB 3.95Å; K27-D43 PolarHBondContact O-N 2.9Å
28I87Confident82.6Confident47 Ų4773.1 Ų73.124%0.24137%0.367CS..EExtended strand (participates in β ladder)trans-92.7129.3175.7-57165.9000108.3E19 F22 V31 V40 E41 F42E19-I28 HydrophobicContact CG-CD1 4.31Å; F22-I28 HydrophobicContact CB-CD1 3.77Å; F22-I28 HydrophobicContact CB-CG1 4.46Å; I28-V31 HydrophobicContact CG2-CG2 3.51Å; I28-V40 HydrophobicContact CB-CG1 4.36Å; I28-V40 HydrophobicContact CD1-CG1 4.24Å; I28-V40 HydrophobicContact CG1-CG1 3.92Å; I28-V40 HydrophobicContact CG2-CG1 3.65Å; I28-E41 CarbonylContact C-O 3.57Å; I28-F42 HydrophobicContact CG1-CD1 4.42Å; I28-F42 HydrophobicContact CG1-CE1 3.94Å; I28-F42 HydrophobicContact CG1-CZ 4.33Å
29L85.3Confident82.9Confident111 Ų11175 Ų7558%0.58138%0.376SS*.EExtended strand (participates in β ladder)trans-88.8-45.5174.5-65.8177.7000111.8E41 D43L29-E41 PolarHBondContact N-O 3.12Å; L29-D43 HydrophobicContact CD2-CB 4.32Å; L29-D43 HydrophobicContact CG-CB 4.3Å
30E81.1Confident83.1Confident110 Ų11070 Ų7051%0.51435%0.353SS..EExtended strand (participates in β ladder)trans-145.6142.6-175.7-168.6-176.7177.900110.7V40 E41E30-V40 WeakPolarHBondContact O-CA 3.34Å; E30-E41 HydrophobicContact CB-CB 4.18Å; E30-E41 PolarHBondContact N-O 2.71Å; E30-E41 PolarHBondContact O-N 3.34Å
31V85.9Confident83.4Confident26 Ų2663.9 Ų63.916%0.15833%0.332CS..EExtended strand (participates in β ladder)trans-125.9117.5171.1-175.70000109.3E15 V18 I28 L33 F39 V40E15-V31 HydrophobicContact CG-CB 3.84Å; E15-V31 HydrophobicContact CG-CG1 3.78Å; E15-V31 HydrophobicContact CG-CG2 4.46Å; V18-V31 HydrophobicContact CG1-CG1 4.17Å; I28-V31 HydrophobicContact CG2-CG2 3.51Å; V31-L33 HydrophobicContact CG1-CD1 4.08Å; V31-L33 HydrophobicContact CG1-CG 3.97Å; V31-F39 WeakPolarHBondContact CA-O 3.24Å; V31-V40 HydrophobicContact CG1-CG2 4.26Å; V31-V40 HydrophobicContact CG2-CG2 4.33Å
32D86.3Confident83.6Confident44 Ų4462.3 Ų62.324%0.23533%0.325CS..EExtended strand (participates in β ladder)trans-114.897.3177.9169.9-127.7000109.1R3 K34 G38 F39R3-D32 IonicContact NH2-OD1 3.17Å; D32-K34 IonicContact OD1-NZ 2.77Å; D32-K34 PolarHBondContact OD1-NZ 2.68Å; D32-K34 IonicContact OD2-NZ 3.79Å; D32-K34 PolarHBondContact OD2-NZ 2.87Å; D32-G38 CarbonylContact O-C 3.59Å; D32-G38 VanDerWaalsContact O-CA 3.25Å; D32-G38 WeakPolarHBondContact O-CA 3.28Å; D32-F39 HydrophobicContact CB-CB 4.47Å; D32-F39 PolarHBondContact N-O 3.08Å; D32-F39 PolarHBondContact O-N 3.25Å; D32-F39 WeakPolarHBondContact OD1-CD2 3.39Å
33L85Confident83.8Confident54 Ų5466.8 Ų66.828%0.28335%0.349SS..EExtended strand (participates in β ladder)trans-97134.7179.4-77.8165.6000112.4L9 R14 E15 V18 V31L9-L33 HydrophobicContact CD1-CD2 3.51Å; R14-L33 VanDerWaalsContact C-CD1 3.42Å; E15-L33 HydrophobicContact CB-CD1 3.98Å; V18-L33 HydrophobicContact CB-CD1 4.4Å; V18-L33 HydrophobicContact CG2-CD1 4Å; V18-L33 HydrophobicContact CG2-CD2 3.96Å; V31-L33 HydrophobicContact CG1-CD1 4.08Å; V31-L33 HydrophobicContact CG1-CG 3.97Å
34K83.2Confident84.1Confident84 Ų8462 Ų6237%0.36533%0.331SS..EExtended strand (participates in β ladder)trans-126.7166.5175.8-66.5178.6167.863.40109.2D32 G36 Y37D32-K34 IonicContact OD1-NZ 2.77Å; D32-K34 PolarHBondContact OD1-NZ 2.68Å; D32-K34 IonicContact OD2-NZ 3.79Å; D32-K34 PolarHBondContact OD2-NZ 2.87Å; K34-G36 PolarHBondContact O-N 2.77Å; K34-Y37 CarbonylContact C-O 3.46Å; K34-Y37 VanDerWaalsContact C-O 3.25Å; K34-Y37 VanDerWaalsContact CA-O 3.31Å; K34-Y37 WeakPolarHBondContact CA-O 3.26Å; K34-Y37 HydrophobicContact CB-CD1 4.45Å; K34-Y37 HydrophobicContact CB-CD2 4.27Å; K34-Y37 HydrophobicContact CB-CE1 4.09Å; K34-Y37 HydrophobicContact CB-CE2 3.91Å; K34-Y37 WeakPolarHBondContact CB-O 3.21Å; K34-Y37 HydrophobicContact CD-CE2 3.65Å; K34-Y37 WeakPolarHBondContact CD-OH 3.25Å; K34-Y37 HydrophobicContact CG-CE2 4.34Å; K34-Y37 PolarHBondContact N-O 3.27Å; K34-Y37 PolarHBondContact O-N 2.92Å
35N79.4Confident84.3Confident145 Ų14560.8 Ų60.878%0.77531%0.309SS*.THydrogen-bonded Turntrans-66.5110-176.4-63.955.1000110.6
36G73.8Confident84.7Confident23 Ų2366.4 Ų66.424%0.23733%0.33CS..THydrogen-bonded Turntrans92.3-8.5179.200000115.7R8 L9 K34R8-G36 PolarHBondContact N-O 2.77Å; L9-G36 PolarHBondContact N-O 3.35Å; L9-G36 VanDerWaalsContact N-O 3.12Å; L9-G36 WeakPolarHBondContact O-CA 3.49Å; K34-G36 PolarHBondContact O-N 2.77Å
37Y85.9Confident85Confident91 Ų9167.5 Ų67.536%0.35733%0.331SS..EExtended strand (participates in β ladder)trans-161.4158.4-179.465.8-82.8000112.6Y5 I6 K34 F39Y5-Y37 AromaticContact CE2-CD2 3.86Å; Y5-Y37 HydrophobicContact CE2-CD2 3.86Å; Y5-Y37 HydrophobicContact CE2-CG 4.13Å; I6-Y37 CarbonylContact O-C 3.57Å; I6-Y37 WeakPolarHBondContact O-CA 3.38Å; I6-Y37 WeakPolarHBondContact O-CB 3.41Å; K34-Y37 CarbonylContact C-O 3.46Å; K34-Y37 VanDerWaalsContact C-O 3.25Å; K34-Y37 VanDerWaalsContact CA-O 3.31Å; K34-Y37 WeakPolarHBondContact CA-O 3.26Å; K34-Y37 HydrophobicContact CB-CD1 4.45Å; K34-Y37 HydrophobicContact CB-CD2 4.27Å; K34-Y37 HydrophobicContact CB-CE1 4.09Å; K34-Y37 HydrophobicContact CB-CE2 3.91Å; K34-Y37 WeakPolarHBondContact CB-O 3.21Å; K34-Y37 HydrophobicContact CD-CE2 3.65Å; K34-Y37 WeakPolarHBondContact CD-OH 3.25Å; K34-Y37 HydrophobicContact CG-CE2 4.34Å; K34-Y37 PolarHBondContact N-O 3.27Å; K34-Y37 PolarHBondContact O-N 2.92Å; Y37-F39 HydrophobicContact CD2-CE2 4.07Å; Y37-F39 HydrophobicContact CD2-CZ 4.36Å; Y37-F39 AromaticContact CE2-CE2 3.95Å; Y37-F39 HydrophobicContact CE2-CE2 3.95Å; Y37-F39 HydrophobicContact CE2-CZ 4.33Å
38G88.4Confident85.2Confident0 Ų060.6 Ų60.60%030%0.301CS..EExtended strand (participates in β ladder)trans-147.8176.3178.600000113.1Y5 I6 D32Y5-G38 WeakPolarHBondContact CD2-O 3.49Å; I6-G38 PolarHBondContact N-O 2.8Å; I6-G38 PolarHBondContact O-N 3.02Å; D32-G38 CarbonylContact O-C 3.59Å; D32-G38 VanDerWaalsContact O-CA 3.25Å; D32-G38 WeakPolarHBondContact O-CA 3.28Å
39F89.5Confident85.1Confident39 Ų3962.4 Ų62.417%0.17131%0.311CS..EExtended strand (participates in β ladder)trans-131.5143.4171.4-54-89.3000109.7R3 V4 Y5 V31 D32 Y37 T70R3-F39 HydrophobicContact CG-CB 4.47Å; V4-F39 CarbonylContact O-C 3.5Å; V4-F39 VanDerWaalsContact O-CA 3.22Å; V4-F39 WeakPolarHBondContact O-CA 2.78Å; Y5-F39 HydrophobicContact CD2-CD1 4.01Å; Y5-F39 AromaticContact CD2-CE1 3.55Å; Y5-F39 HydrophobicContact CD2-CE1 3.55Å; Y5-F39 AromaticContact CD2-CZ 3.98Å; Y5-F39 HydrophobicContact CD2-CZ 3.98Å; Y5-F39 HydrophobicContact CE2-CE1 4.43Å; Y5-F39 HydrophobicContact CE2-CZ 4.44Å; Y5-F39 HydrophobicContact CG-CE1 4.32Å; V31-F39 WeakPolarHBondContact CA-O 3.24Å; D32-F39 HydrophobicContact CB-CB 4.47Å; D32-F39 PolarHBondContact N-O 3.08Å; D32-F39 PolarHBondContact O-N 3.25Å; D32-F39 WeakPolarHBondContact OD1-CD2 3.39Å; Y37-F39 HydrophobicContact CD2-CE2 4.07Å; Y37-F39 HydrophobicContact CD2-CZ 4.36Å; Y37-F39 AromaticContact CE2-CE2 3.95Å; Y37-F39 HydrophobicContact CE2-CE2 3.95Å; Y37-F39 HydrophobicContact CE2-CZ 4.33Å; F39-T70 HydrophobicContact CD1-CG2 3.98Å; F39-T70 HydrophobicContact CE1-CG2 3.83Å
40V88.6Confident85.1Confident0 Ų061.9 Ų61.90%031%0.309CS..EExtended strand (participates in β ladder)trans-127.9125.4175.5176.80000107.1R3 V4 I6 V18 F22 I28 E30 V31 F42R3-V40 CarbonylContact C-O 3.48Å; R3-V40 WeakPolarHBondContact CA-O 3.37Å; V4-V40 PolarHBondContact N-O 3.36Å; V4-V40 PolarHBondContact O-N 3.07Å; I6-V40 HydrophobicContact CD1-CG2 3.55Å; I6-V40 HydrophobicContact CG1-CG2 4.49Å; V18-V40 HydrophobicContact CG1-CG2 3.58Å; F22-V40 HydrophobicContact CD2-CG2 4.28Å; F22-V40 HydrophobicContact CE2-CG2 4.34Å; I28-V40 HydrophobicContact CB-CG1 4.36Å; I28-V40 HydrophobicContact CD1-CG1 4.24Å; I28-V40 HydrophobicContact CG1-CG1 3.92Å; I28-V40 HydrophobicContact CG2-CG1 3.65Å; E30-V40 WeakPolarHBondContact O-CA 3.34Å; V31-V40 HydrophobicContact CG1-CG2 4.26Å; V31-V40 HydrophobicContact CG2-CG2 4.33Å; V40-F42 HydrophobicContact CB-CE2 4.06Å; V40-F42 HydrophobicContact CG1-CD2 4.05Å; V40-F42 HydrophobicContact CG1-CE1 4.45Å; V40-F42 HydrophobicContact CG1-CE2 3.42Å; V40-F42 VanDerWaalsContact CG1-CE2 3.42Å; V40-F42 HydrophobicContact CG1-CZ 3.64Å
41E87.6Confident85.3Confident65 Ų6556.6 Ų56.630%0.30428%0.284SS..EExtended strand (participates in β ladder)trans-101.1123.6174.8-164.5149.7143.500109.4R3 I28 L29 E30R3-E41 HydrophobicContact CB-CG 4.33Å; R3-E41 HydrophobicContact CG-CB 4.41Å; R3-E41 IonicContact NH1-OE2 2.71Å; R3-E41 PolarHBondContact NH1-OE2 3.46Å; I28-E41 CarbonylContact C-O 3.57Å; L29-E41 PolarHBondContact N-O 3.12Å; E30-E41 HydrophobicContact CB-CB 4.18Å; E30-E41 PolarHBondContact N-O 2.71Å; E30-E41 PolarHBondContact O-N 3.34Å
42F88.1Confident85.3Confident1 Ų156.3 Ų56.30%0.00428%0.282CS..EExtended strand (participates in β ladder)trans-94.3157.6177.8-71.3-92.1000112S2 V4 F22 K27 I28 V40 D44 D47 A48 A51S2-F42 WeakPolarHBondContact CB-O 3.34Å; S2-F42 WeakPolarHBondContact O-CB 3.43Å; S2-F42 WeakPolarHBondContact O-CD2 3.11Å; S2-F42 PolarHBondContact O-N 3.38Å; V4-F42 HydrophobicContact CB-CD2 4.48Å; V4-F42 HydrophobicContact CB-CE2 4.08Å; V4-F42 HydrophobicContact CG2-CD2 3.8Å; V4-F42 HydrophobicContact CG2-CE2 3.66Å; F22-F42 HydrophobicContact CB-CE1 4.39Å; F22-F42 HydrophobicContact CB-CZ 3.98Å; F22-F42 HydrophobicContact CD1-CE1 4.47Å; F22-F42 HydrophobicContact CD1-CE2 4.19Å; F22-F42 AromaticContact CD1-CZ 3.49Å; F22-F42 HydrophobicContact CD1-CZ 3.49Å; F22-F42 VanDerWaalsContact CD1-CZ 3.49Å; F22-F42 HydrophobicContact CE1-CZ 4.25Å; F22-F42 AromaticContact CG-CZ 3.94Å; F22-F42 HydrophobicContact CG-CZ 3.94Å; K27-F42 WeakPolarHBondContact O-CA 3.41Å; I28-F42 HydrophobicContact CG1-CD1 4.42Å; I28-F42 HydrophobicContact CG1-CE1 3.94Å; I28-F42 HydrophobicContact CG1-CZ 4.33Å; V40-F42 HydrophobicContact CB-CE2 4.06Å; V40-F42 HydrophobicContact CG1-CD2 4.05Å; V40-F42 HydrophobicContact CG1-CE1 4.45Å; V40-F42 HydrophobicContact CG1-CE2 3.42Å; V40-F42 VanDerWaalsContact CG1-CE2 3.42Å; V40-F42 HydrophobicContact CG1-CZ 3.64Å; F42-D44 WeakPolarHBondContact CB-O 3.26Å; F42-D47 HydrophobicContact CD1-CB 4.26Å; F42-A48 HydrophobicContact CB-CB 4.06Å; F42-A48 HydrophobicContact CD2-CB 3.66Å; F42-A48 HydrophobicContact CE2-CB 4.42Å; F42-A48 HydrophobicContact CG-CB 3.97Å; F42-A51 HydrophobicContact CE2-CB 4.48Å; F42-A51 HydrophobicContact CZ-CB 4.08Å
43D86.6Confident85.3Confident94 Ų9463.5 Ų63.550%0.50331%0.307SS..SBendtrans-67.2-60.7170.2-16317.8000109.9K27 L29K27-D43 HydrophobicContact CB-CB 3.95Å; K27-D43 PolarHBondContact O-N 2.9Å; L29-D43 HydrophobicContact CD2-CB 4.32Å; L29-D43 HydrophobicContact CG-CB 4.3Å
44D85.9Confident85.3Confident59 Ų5964.6 Ų64.632%0.31631%0.314SS..SBendtrans-91.2134.8175.7-157.5-54.9000111.5F42 R46 D47 A48F42-D44 WeakPolarHBondContact CB-O 3.26Å; D44-R46 VanDerWaalsContact C-N 3.27Å; D44-R46 PolarHBondContact O-N 3.46Å; D44-R46 VanDerWaalsContact OD1-CB 3.25Å; D44-R46 WeakPolarHBondContact OD1-CB 2.96Å; D44-R46 VanDerWaalsContact OD1-CG 3.3Å; D44-R46 WeakPolarHBondContact OD1-CG 3.07Å; D44-R46 PolarHBondContact OD1-N 2.98Å; D44-D47 HydrophobicContact CB-CB 4.21Å; D44-A48 PolarHBondContact O-N 3.48Å
45P82.9Confident85.3Confident53 Ų5360.8 Ų60.834%0.34430%0.297SS..Hα-helixtrans-63.8-27.2170.426.3-35.8000113.9S2 A48 D49S2-P45 WeakPolarHBondContact OG-CD 3.28Å; P45-A48 VanDerWaalsContact O-CB 3.32Å; P45-A48 WeakPolarHBondContact O-CB 3.35Å; P45-A48 PolarHBondContact O-N 3.2Å; P45-D49 PolarHBondContact O-N 2.62Å; P45-D49 VanDerWaalsContact O-OD2 3.04Å
46R86.5Confident85.6Confident181 Ų18158 Ų5868%0.68328%0.282SS*.Hα-helixtrans-68.6-45.4179.1-62.9168.9176.1-179.5-0.2111.4D44 A48 D49 D50D44-R46 VanDerWaalsContact C-N 3.27Å; D44-R46 PolarHBondContact O-N 3.46Å; D44-R46 VanDerWaalsContact OD1-CB 3.25Å; D44-R46 WeakPolarHBondContact OD1-CB 2.96Å; D44-R46 VanDerWaalsContact OD1-CG 3.3Å; D44-R46 WeakPolarHBondContact OD1-CG 3.07Å; D44-R46 PolarHBondContact OD1-N 2.98Å; R46-A48 PolarHBondContact O-N 3.29Å; R46-D49 WeakPolarHBondContact O-CA 3.47Å; R46-D49 WeakPolarHBondContact O-CB 3.48Å; R46-D49 PolarHBondContact O-N 3.13Å; R46-D50 PolarHBondContact O-N 2.89Å
47D86.4Confident85.9Confident45 Ų4558.4 Ų58.424%0.24129%0.287CS..Hα-helixtrans-53.6-36.3171.2-67.514000111.1Y25 G26 F42 D44 A51Y25-D47 VanDerWaalsContact O-CB 3.26Å; Y25-D47 WeakPolarHBondContact O-CB 3.3Å; Y25-D47 VanDerWaalsContact O-CG 3.3Å; G26-D47 WeakPolarHBondContact CA-OD2 3.47Å; F42-D47 HydrophobicContact CD1-CB 4.26Å; D44-D47 HydrophobicContact CB-CB 4.21Å; D47-A51 WeakPolarHBondContact O-CB 3.3Å; D47-A51 PolarHBondContact O-N 3.29Å
48A85.1Confident85.7Confident0 Ų058.1 Ų58.10%029%0.287CS..Hα-helixtrans-72.2-37.2175.100000113.5V4 F42 D44 P45 R46 V52V4-A48 HydrophobicContact CG2-CB 3.68Å; F42-A48 HydrophobicContact CB-CB 4.06Å; F42-A48 HydrophobicContact CD2-CB 3.66Å; F42-A48 HydrophobicContact CE2-CB 4.42Å; F42-A48 HydrophobicContact CG-CB 3.97Å; D44-A48 PolarHBondContact O-N 3.48Å; P45-A48 VanDerWaalsContact O-CB 3.32Å; P45-A48 WeakPolarHBondContact O-CB 3.35Å; P45-A48 PolarHBondContact O-N 3.2Å; R46-A48 PolarHBondContact O-N 3.29Å; A48-V52 WeakPolarHBondContact O-CB 3.19Å; A48-V52 WeakPolarHBondContact O-CG2 3.48Å; A48-V52 PolarHBondContact O-N 2.82Å
49D84.8Confident85.2Confident85 Ų8563.8 Ų63.846%0.45531%0.314SS..Hα-helixtrans-64.2-47.5172.9-73.1-69.6000111P45 R46 V52 Y53 H69P45-D49 PolarHBondContact O-N 2.62Å; P45-D49 VanDerWaalsContact O-OD2 3.04Å; R46-D49 WeakPolarHBondContact O-CA 3.47Å; R46-D49 WeakPolarHBondContact O-CB 3.48Å; R46-D49 PolarHBondContact O-N 3.13Å; D49-V52 PolarHBondContact O-N 2.92Å; D49-Y53 PolarHBondContact O-N 3.29Å; D49-H69 VanDerWaalsContact CA-CE1 3.44Å; D49-H69 WeakPolarHBondContact CA-CE1 3.45Å; D49-H69 VanDerWaalsContact CG-CE1 3.49Å; D49-H69 IonicContact OD1-CE1 3.11Å; D49-H69 PolarHBondContact OD1-CE1 2.97Å; D49-H69 IonicContact OD1-ND1 2.71Å; D49-H69 IonicContact OD1-NE2 2.89Å; D49-H69 PolarHBondContact OD1-NE2 3.08Å
50D85.9Confident84.4Confident100 Ų10062.7 Ų62.754%0.53531%0.309SS..Hα-helixtrans-64.8-42.9178-69.9-22.2000111.2R46 V52 Y53 D54R46-D50 PolarHBondContact O-N 2.89Å; D50-V52 PolarHBondContact O-N 2.79Å; D50-Y53 PolarHBondContact O-N 3.28Å; D50-D54 PolarHBondContact O-N 3.35Å
51A85.6Confident83.4Confident0 Ų065.7 Ų65.70%033%0.33CS..Hα-helixtrans-58.8-44.5172.200000112.4F22 Y25 F42 D47 Y53 L55F22-A51 HydrophobicContact CD1-CB 3.9Å; F22-A51 HydrophobicContact CE1-CB 4.07Å; Y25-A51 HydrophobicContact CG-CB 4.31Å; F42-A51 HydrophobicContact CE2-CB 4.48Å; F42-A51 HydrophobicContact CZ-CB 4.08Å; D47-A51 WeakPolarHBondContact O-CB 3.3Å; D47-A51 PolarHBondContact O-N 3.29Å; A51-Y53 VanDerWaalsContact C-N 3.35Å; A51-L55 HydrophobicContact CB-CD1 4.09Å; A51-L55 WeakPolarHBondContact O-CB 3.45Å; A51-L55 VanDerWaalsContact O-CG 3.25Å; A51-L55 WeakPolarHBondContact O-CG 3.24Å; A51-L55 PolarHBondContact O-N 2.85Å
52V86.8Confident82.7Confident19 Ų1966 Ų6612%0.11535%0.351CS..Hα-helixtrans-64.1-41.2177.1165.40000111V4 A48 D49 D50 N56 V67V4-V52 HydrophobicContact CB-CG2 4.43Å; V4-V52 HydrophobicContact CG1-CG2 3.75Å; V4-V52 HydrophobicContact CG2-CG2 3.83Å; A48-V52 WeakPolarHBondContact O-CB 3.19Å; A48-V52 WeakPolarHBondContact O-CG2 3.48Å; A48-V52 PolarHBondContact O-N 2.82Å; D49-V52 PolarHBondContact O-N 2.92Å; D50-V52 PolarHBondContact O-N 2.79Å; V52-N56 WeakPolarHBondContact O-CB 3.43Å; V52-N56 PolarHBondContact O-N 3.25Å; V52-V67 HydrophobicContact CB-CG1 4.42Å; V52-V67 HydrophobicContact CG2-CG1 3.86Å
53Y85.8Confident82.2Confident196 Ų19670 Ų7077%0.76937%0.369SS*.Hα-helixtrans-62.5-49.5179.8-171.4-95000112.2D49 D50 A51D49-Y53 PolarHBondContact O-N 3.29Å; D50-Y53 PolarHBondContact O-N 3.28Å; A51-Y53 VanDerWaalsContact C-N 3.35Å
54D84.3Confident82Confident77 Ų7772.9 Ų72.941%0.41237%0.373SS..Hα-helixtrans-87.4-21.2-172.6-993.5000114.7Y25 D50 K58Y25-D54 HydrophobicContact CE1-CB 3.54Å; Y25-D54 WeakPolarHBondContact CE1-OD2 3.48Å; Y25-D54 WeakPolarHBondContact OH-CB 3.43Å; Y25-D54 PolarHBondContact OH-OD2 2.91Å; D50-D54 PolarHBondContact O-N 3.35Å; D54-K58 WeakPolarHBondContact O-CD 3.12Å; D54-K58 WeakPolarHBondContact O-CE 3.18Å; D54-K58 PolarHBondContact O-NZ 3.01Å
55L83.3Confident82.1Confident3 Ų370 Ų702%0.01636%0.358CS..Hα-helixtrans-105.3-14.5-173.6-55.9172.6000113.6F21 F22 Y25 A51 G57 K58 V67F21-L55 HydrophobicContact CD1-CB 4.45Å; F21-L55 HydrophobicContact CD1-CD1 4.09Å; F21-L55 HydrophobicContact CD1-CD2 4.17Å; F21-L55 HydrophobicContact CD1-CG 4.48Å; F21-L55 HydrophobicContact CD2-CD2 4.4Å; F21-L55 HydrophobicContact CE1-CB 3.63Å; F21-L55 HydrophobicContact CE1-CD1 4.09Å; F21-L55 HydrophobicContact CE1-CD2 3.88Å; F21-L55 HydrophobicContact CE1-CG 4.08Å; F21-L55 HydrophobicContact CE2-CD2 4.09Å; F21-L55 HydrophobicContact CG-CD2 4.46Å; F21-L55 HydrophobicContact CZ-CB 3.92Å; F21-L55 HydrophobicContact CZ-CD2 3.84Å; F21-L55 HydrophobicContact CZ-CG 4.4Å; F22-L55 HydrophobicContact CD1-CD1 3.13Å; F22-L55 HydrophobicContact CE1-CB 4.32Å; F22-L55 HydrophobicContact CE1-CD1 3.26Å; F22-L55 HydrophobicContact CE1-CG 4.4Å; F22-L55 HydrophobicContact CG-CD1 3.86Å; F22-L55 HydrophobicContact CZ-CD1 4.01Å; Y25-L55 HydrophobicContact CD2-CD1 3.83Å; Y25-L55 HydrophobicContact CD2-CD2 4.27Å; Y25-L55 HydrophobicContact CD2-CG 4.26Å; Y25-L55 HydrophobicContact CE2-CD1 4.07Å; Y25-L55 HydrophobicContact CE2-CD2 3.66Å; Y25-L55 HydrophobicContact CE2-CG 4.02Å; Y25-L55 HydrophobicContact CG-CD1 4.38Å; A51-L55 HydrophobicContact CB-CD1 4.09Å; A51-L55 WeakPolarHBondContact O-CB 3.45Å; A51-L55 VanDerWaalsContact O-CG 3.25Å; A51-L55 WeakPolarHBondContact O-CG 3.24Å; A51-L55 PolarHBondContact O-N 2.85Å; L55-G57 PolarHBondContact O-N 3Å; L55-K58 HydrophobicContact CD2-CD 3.77Å; L55-K58 PolarHBondContact O-N 3.5Å; L55-V67 HydrophobicContact CB-CG2 4.13Å; L55-V67 WeakPolarHBondContact O-CG2 3.27Å
56N86Confident82.2Confident87 Ų8770.8 Ų70.847%0.46536%0.358SS..THydrogen-bonded Turntrans-66121.8173.7-17427.7000111.2V52 I66 V67V52-N56 WeakPolarHBondContact O-CB 3.43Å; V52-N56 PolarHBondContact O-N 3.25Å; N56-I66 WeakPolarHBondContact OD1-CA 3.46Å; N56-V67 HydrophobicContact CB-CB 4.02Å; N56-V67 PolarHBondContact OD1-N 3.04Å
57G80Confident82.3Confident32 Ų3262.3 Ų62.333%0.3333%0.326SS..THydrogen-bonded Turntrans85.3-2.9-179.200000115.6L55 V65L55-G57 PolarHBondContact O-N 3Å; G57-V65 VanDerWaalsContact CA-O 3.29Å; G57-V65 WeakPolarHBondContact CA-O 3.3Å; G57-V65 PolarHBondContact N-O 2.86Å
58K81.6Confident82.3Confident84 Ų8465.8 Ų65.837%0.36534%0.341SS..  trans-66.8156.3169.8-95.1177-174.5140.90110.8F21 Y25 D54 L55 R64 V65F21-K58 HydrophobicContact CE2-CB 3.79Å; F21-K58 HydrophobicContact CE2-CD 4.04Å; F21-K58 HydrophobicContact CZ-CB 3.63Å; F21-K58 HydrophobicContact CZ-CD 4.26Å; Y25-K58 PolarHBondContact OH-NZ 2.97Å; D54-K58 WeakPolarHBondContact O-CD 3.12Å; D54-K58 WeakPolarHBondContact O-CE 3.18Å; D54-K58 PolarHBondContact O-NZ 3.01Å; L55-K58 HydrophobicContact CD2-CD 3.77Å; L55-K58 PolarHBondContact O-N 3.5Å; K58-R64 WeakPolarHBondContact O-CA 3.33Å; K58-V65 VanDerWaalsContact O-CG2 3.28Å; K58-V65 WeakPolarHBondContact O-CG2 3.48Å; K58-V65 PolarHBondContact O-N 2.84Å
59E78.4Confident82.2Confident120 Ų12068.9 Ų68.956%0.56136%0.356SS*.EExtended strand (participates in β ladder)trans-92116.9-178-71.5173.5168.200110.7E63 R64E59-E63 CarbonylContact C-O 3.57Å; E59-E63 WeakPolarHBondContact CA-O 3.4Å; E59-R64 HydrophobicContact CG-CG 3.57Å; E59-R64 IonicContact OE1-CZ 3.85Å; E59-R64 VanDerWaalsContact OE1-CZ 3.25Å; E59-R64 IonicContact OE1-NE 3.96Å; E59-R64 PolarHBondContact OE1-NE 2.88Å; E59-R64 IonicContact OE1-NH2 3.58Å; E59-R64 PolarHBondContact OE1-NH2 2.8Å
60L73.1Confident81.6Confident15 Ų1566.3 Ų66.38%0.07934%0.343CS..EExtended strand (participates in β ladder)trans-112.6121.2172.6-95.8178.1000109.3L9 F21 G62 E63 V65L9-L60 HydrophobicContact CD2-CD1 3.95Å; F21-L60 HydrophobicContact CB-CD1 4.25Å; F21-L60 HydrophobicContact CB-CD2 4Å; F21-L60 HydrophobicContact CD1-CD1 3.56Å; F21-L60 HydrophobicContact CD1-CG 4.17Å; F21-L60 HydrophobicContact CD2-CD1 4.01Å; F21-L60 HydrophobicContact CD2-CD2 3.63Å; F21-L60 HydrophobicContact CD2-CG 3.67Å; F21-L60 HydrophobicContact CE1-CD1 3.63Å; F21-L60 HydrophobicContact CE1-CG 4.13Å; F21-L60 HydrophobicContact CE2-CD1 4.1Å; F21-L60 HydrophobicContact CE2-CD2 4.12Å; F21-L60 HydrophobicContact CE2-CG 3.66Å; F21-L60 HydrophobicContact CG-CD1 3.72Å; F21-L60 HydrophobicContact CG-CD2 3.86Å; F21-L60 HydrophobicContact CG-CG 3.91Å; F21-L60 HydrophobicContact CZ-CD1 3.9Å; F21-L60 HydrophobicContact CZ-CG 3.88Å; L60-G62 PolarHBondContact O-N 2.85Å; L60-G62 VanDerWaalsContact O-N 3.09Å; L60-E63 PolarHBondContact N-O 2.88Å; L60-E63 PolarHBondContact O-N 3.43Å; L60-V65 HydrophobicContact CB-CG1 3.83Å; L60-V65 HydrophobicContact CB-CG2 4.34Å; L60-V65 HydrophobicContact CD1-CG1 3.98Å; L60-V65 HydrophobicContact CD1-CG2 4.05Å; L60-V65 HydrophobicContact CG-CG1 4.44Å; L60-V65 HydrophobicContact CG-CG2 4.34Å
61C66Low80.4Confident64 Ų6471.4 Ų71.443%0.43236%0.36SS..THydrogen-bonded Turntrans52.830.5179.2-57.30000114.4
62G73.8Confident78.7Confident72 Ų7272.4 Ų72.474%0.74237%0.371SS*.THydrogen-bonded Turntrans91.10.217900000115.6L60L60-G62 PolarHBondContact O-N 2.85Å; L60-G62 VanDerWaalsContact O-N 3.09Å
63E76.8Confident76.8Confident83 Ų8377.4 Ų77.439%0.38840%0.404SS..EExtended strand (participates in β ladder)trans-119.3146.5174.7-65-169.815500111.3S10 E59 L60 V65S10-E63 WeakPolarHBondContact CA-OE2 3.48Å; S10-E63 PolarHBondContact N-OE2 3.24Å; E59-E63 CarbonylContact C-O 3.57Å; E59-E63 WeakPolarHBondContact CA-O 3.4Å; L60-E63 PolarHBondContact N-O 2.88Å; L60-E63 PolarHBondContact O-N 3.43Å; E63-V65 PolarHBondContact O-N 2.8Å
64R83.7Confident75.1Confident155 Ų15579.9 Ų79.959%0.58541%0.412SS*.EExtended strand (participates in β ladder)trans-79.3109.1176.7-71.2178.8179.5-119.3-7.5110.1R8 K58 E59R8-R64 WeakPolarHBondContact CB-O 3.34Å; K58-R64 WeakPolarHBondContact O-CA 3.33Å; E59-R64 HydrophobicContact CG-CG 3.57Å; E59-R64 IonicContact OE1-CZ 3.85Å; E59-R64 VanDerWaalsContact OE1-CZ 3.25Å; E59-R64 IonicContact OE1-NE 3.96Å; E59-R64 PolarHBondContact OE1-NE 2.88Å; E59-R64 IonicContact OE1-NH2 3.58Å; E59-R64 PolarHBondContact OE1-NH2 2.8Å
65V86.7Confident73.5Confident0 Ų086.7 Ų86.70%043%0.432CS..  trans-74.6145.3176.6-74.20000111.1I6 G7 L9 F21 G57 K58 L60 E63 V67I6-V65 HydrophobicContact CG2-CB 3.93Å; I6-V65 HydrophobicContact CG2-CG1 4Å; G7-V65 WeakPolarHBondContact O-CA 3.49Å; L9-V65 HydrophobicContact CD2-CG1 3.69Å; L9-V65 HydrophobicContact CG-CG1 3.93Å; F21-V65 HydrophobicContact CE1-CG2 4.03Å; F21-V65 HydrophobicContact CZ-CG2 3.82Å; G57-V65 VanDerWaalsContact CA-O 3.29Å; G57-V65 WeakPolarHBondContact CA-O 3.3Å; G57-V65 PolarHBondContact N-O 2.86Å; K58-V65 VanDerWaalsContact O-CG2 3.28Å; K58-V65 WeakPolarHBondContact O-CG2 3.48Å; K58-V65 PolarHBondContact O-N 2.84Å; L60-V65 HydrophobicContact CB-CG1 3.83Å; L60-V65 HydrophobicContact CB-CG2 4.34Å; L60-V65 HydrophobicContact CD1-CG1 3.98Å; L60-V65 HydrophobicContact CD1-CG2 4.05Å; L60-V65 HydrophobicContact CG-CG1 4.44Å; L60-V65 HydrophobicContact CG-CG2 4.34Å; E63-V65 PolarHBondContact O-N 2.8Å; V65-V67 HydrophobicContact CG2-CG2 4.23Å
66I86.2Confident71.6Confident69 Ų6993.6 Ų93.635%0.35447%0.469SS..EExtended strand (participates in β ladder)trans-101.5125.1170.4-63176.6000106.7I6 G7 R8 N56I6-I66 CarbonylContact C-O 3.49Å; I6-I66 VanDerWaalsContact CA-O 3.27Å; I6-I66 WeakPolarHBondContact CA-O 3.41Å; G7-I66 PolarHBondContact N-O 2.89Å; G7-I66 PolarHBondContact O-N 3.16Å; R8-I66 HydrophobicContact CG-CD1 4.02Å; R8-I66 HydrophobicContact CG-CG1 4.28Å; N56-I66 WeakPolarHBondContact OD1-CA 3.46Å
67V88.1Confident69.8Low2 Ų293.7 Ų93.71%0.01249%0.49CS..EExtended strand (participates in β ladder)trans-116.2122.2-179.5-170.50000107.5V4 Y5 I6 F22 V52 L55 N56 V65V4-V67 HydrophobicContact CG1-CG1 3.26Å; Y5-V67 WeakPolarHBondContact O-CA 3.22Å; I6-V67 HydrophobicContact CG2-CG2 4.44Å; F22-V67 HydrophobicContact CE1-CG1 4Å; F22-V67 HydrophobicContact CZ-CG1 3.94Å; F22-V67 HydrophobicContact CZ-CG2 4.23Å; V52-V67 HydrophobicContact CB-CG1 4.42Å; V52-V67 HydrophobicContact CG2-CG1 3.86Å; L55-V67 HydrophobicContact CB-CG2 4.13Å; L55-V67 WeakPolarHBondContact O-CG2 3.27Å; N56-V67 HydrophobicContact CB-CB 4.02Å; N56-V67 PolarHBondContact OD1-N 3.04Å; V65-V67 HydrophobicContact CG2-CG2 4.23Å
68E86.1Confident67.8Low119 Ų11995.5 Ų95.556%0.55651%0.509SS*.EExtended strand (participates in β ladder)trans-141.4146.4-172.2-169.4-176.4156.500111.2V4 Y5 T70V4-E68 CarbonylContact C-O 3.25Å; Y5-E68 HydrophobicContact CD1-CB 4.33Å; Y5-E68 PolarHBondContact N-O 3.28Å; Y5-E68 PolarHBondContact O-N 2.84Å; E68-T70 PolarHBondContact O-N 3.07Å
69H83.1Confident66.1Low65 Ų65103.3 Ų103.330%0.30154%0.538SS..EExtended strand (participates in β ladder)trans-66.1123.2173.2-67.9-92.4000111.8D49 K71D49-H69 VanDerWaalsContact CA-CE1 3.44Å; D49-H69 WeakPolarHBondContact CA-CE1 3.45Å; D49-H69 VanDerWaalsContact CG-CE1 3.49Å; D49-H69 IonicContact OD1-CE1 3.11Å; D49-H69 PolarHBondContact OD1-CE1 2.97Å; D49-H69 IonicContact OD1-ND1 2.71Å; D49-H69 IonicContact OD1-NE2 2.89Å; D49-H69 PolarHBondContact OD1-NE2 3.08Å; H69-K71 PolarHBondContact O-N 2.69Å
70T73.3Confident64.4Low31 Ų31104 Ų10419%0.1955%0.55CS.*  trans-75.5115.3174.6-33.90000109.3R3 Y5 F39 E68 G72R3-T70 WeakPolarHBondContact O-CB 3.21Å; R3-T70 PolarHBondContact O-N 3.09Å; R3-T70 PolarHBondContact O-OG1 3.24Å; Y5-T70 PolarHBondContact N-OG1 3.05Å; Y5-T70 VanDerWaalsContact N-OG1 3.09Å; F39-T70 HydrophobicContact CD1-CG2 3.98Å; F39-T70 HydrophobicContact CE1-CG2 3.83Å; E68-T70 PolarHBondContact O-N 3.07Å; T70-G72 PolarHBondContact O-N 3.34Å
71K60Low62.9Low206 Ų206107.2 Ų107.290%0.89659%0.586SS**  trans-70.180.5160.4-75.2174.1-180164.40108.4H69H69-K71 PolarHBondContact O-N 2.69Å
72G48.8Very low61.6Low22 Ų22107.5 Ų107.523%0.22760%0.6CS.*  trans-55.4150.5-174.300000113.1T70 R74T70-G72 PolarHBondContact O-N 3.34Å; G72-R74 PolarHBondContact O-N 3.25Å
73P46.9Very low60.2Low124 Ų124116.1 Ų116.181%0.80561%0.61SS**  trans-62128.5-179.526.5-33.8000110.1R75P73-R75 PolarHBondContact O-N 2.76Å
74R51Low58.5Low247 Ų247118 Ų11893%0.93263%0.633SS**  trans-59.5106.5173.8-69.9178.5178.7156.8-1.9109.7G72G72-R74 PolarHBondContact O-N 3.25Å
75R51.2Low56.4Low221 Ų221113.3 Ų113.383%0.83463%0.633SS**  trans-129.9129.3161.9-124-179.5172.8152.9-3.5109.5P73P73-R75 PolarHBondContact O-N 2.76Å
76D43.1Very low54.2Low148 Ų148125.1 Ų125.179%0.79168%0.679SS**SBendtrans73.8109.2161.7-49.8-56.3000119.7
77G48.3Very low52.5Low88 Ų88125.6 Ų125.691%0.90770%0.701SS**  trans91.878.2134.600000119.2
78G36.8Very low50.3Low70 Ų70137.2 Ų137.272%0.72275%0.745SS**  trans-150.869172.300000114.5T80G78-T80 PolarHBondContact O-N 2.94Å
79Y47Very low48.2Very low249 Ų249143.7 Ų143.798%0.97676%0.764SS**  trans-77.667.6172.2-117.3-93.5000110.7
80T43.5Very low46.1Very low135 Ų135144.5 Ų144.583%0.82879%0.79SS**  trans-143.6128.3177-68.10000110.9G78G78-T80 PolarHBondContact O-N 2.94Å
81G39.8Very low45Very low81 Ų81146.7 Ų146.784%0.83582%0.818SS**  trans76.2125.7-179.900000112.4
82G39.1Very low44.4Very low70 Ų70148.3 Ų148.372%0.72282%0.819SS**  cis161.4129.99.200000106.4
83R44.8Very low44.4Very low253 Ų253153.4 Ų153.496%0.95584%0.841SS**  trans-72.9144.8176.6-175175179.3179.3-1.8108.6
84S41.3Very low44.6Very low123 Ų123159.4 Ų159.486%0.8685%0.848SS**  trans73.7146.3-174.1-124.70000114.1
85G40.1Very low44.3Very low57 Ų57156 Ų15659%0.58884%0.836SS**  cis-171.4-166.13.300000112.4
86Y40.7Very low44.2Very low248 Ų248146.8 Ų146.897%0.97381%0.81SS**  trans-56.4136.2179.3-66.8-100.8000111.4
87G48.7Very low44.6Very low79 Ų79145.2 Ų145.281%0.81481%0.808SS**  trans-84.5172.1-158.100000117.1
88R42.7Very low44.7Very low245 Ų245143.8 Ų143.893%0.92578%0.783SS**  trans-150.9140.9165.3-167.2171.3-113.3-111.32.6111.5
89W42.5Very low45.4Very low256 Ų256145.6 Ų145.697%0.9778%0.78SS**  trans-61.9153.3-170.8-6873.4000117.7
90G39.5Very low45.8Very low82 Ų82143.9 Ų143.985%0.84577%0.772SS**  trans148.8116.6155.500000113.7
91G49.9Very low46.7Very low76 Ų76138.7 Ų138.778%0.78474%0.74SS**  cis164.7100.9-11.900000113.5
92R46.8Very low48Very low241 Ų241140.3 Ų140.391%0.90973%0.729SS**  trans-151.325.3155.1-165.9151.5179.1169.1-0.4114.4R94R92-R94 PolarHBondContact O-N 3.05Å
93D48Very low50Low128 Ų128141.2 Ų141.268%0.68471%0.711SS**  trans-101.262.7-179.5-56.9-84.6000111.7Y95 G96D93-Y95 PolarHBondContact O-N 3.33Å; D93-Y95 VanDerWaalsContact O-N 3.16Å; D93-G96 PolarHBondContact O-N 2.93Å
94R51.8Low51.9Low251 Ų251133.3 Ų133.395%0.94768%0.681SS**THydrogen-bonded Turntrans-66.2-6.8165.7-148.1-169.9-64.3-143.74.2112R92R92-R94 PolarHBondContact O-N 3.05Å
95Y45.7Very low54.1Low174 Ų174127.4 Ų127.468%0.68264%0.64SS**THydrogen-bonded Turntrans-134.671.7168.1-133.3-86.3000107.6D93 K120D93-Y95 PolarHBondContact O-N 3.33Å; D93-Y95 VanDerWaalsContact O-N 3.16Å; Y95-K120 PolarHBondContact OH-NZ 3.29Å
96G48.8Very low56.3Low29 Ų29126.8 Ų126.830%0.29962%0.623SS.*PPolyproline II helixtrans-60.1171.1173.500000112D93D93-G96 PolarHBondContact O-N 2.93Å
97P50.1Low58.5Low114 Ų114115 Ų11574%0.7458%0.577SS**SBendtrans-47.6129.4169.6-23.132.5000108.4V99P97-V99 PolarHBondContact O-N 3.04Å
98P51.6Low60.3Low59 Ų59114.7 Ų114.738%0.38355%0.554SS.*PPolyproline II helixtrans-46120.2-170.7-30.734.3000109.6R100 T130 Y131P98-R100 VanDerWaalsContact C-N 3.33Å; P98-R100 WeakPolarHBondContact O-CG 3.27Å; P98-R100 PolarHBondContact O-N 3.22Å; P98-T130 HydrophobicContact CB-CG2 4.42Å; P98-Y131 HydrophobicContact CB-CD2 4.34Å; P98-Y131 HydrophobicContact CG-CD2 4.21Å
99V52.2Low62.1Low108 Ų108106.6 Ų106.666%0.65553%0.529SS*.  trans-61104.5-178.3178.10000105.1P97 T101 E145P97-V99 PolarHBondContact O-N 3.04Å; V99-T101 HydrophobicContact CG1-CG2 4.09Å; V99-T101 PolarHBondContact O-N 3.45Å; V99-E145 VanDerWaalsContact O-OE1 3.1Å
100R54.5Low64Low213 Ų21394.4 Ų94.480%0.80448%0.483SS*.  trans-69.382.7-174.5-71.9-17860.7-162.2-9.2108.5P98 E145P98-R100 VanDerWaalsContact C-N 3.33Å; P98-R100 WeakPolarHBondContact O-CG 3.27Å; P98-R100 PolarHBondContact O-N 3.22Å; R100-E145 VanDerWaalsContact CA-OE1 3.27Å; R100-E145 WeakPolarHBondContact CA-OE1 3.45Å
101T62.2Low65.7Low26 Ų2691.1 Ų91.116%0.1645%0.447CS..  trans-78.2145.3177.150.40000108.1V99 Y103 E145 F146V99-T101 HydrophobicContact CG1-CG2 4.09Å; V99-T101 PolarHBondContact O-N 3.45Å; T101-Y103 HydrophobicContact CG2-CD2 4.39Å; T101-Y103 PolarHBondContact O-N 3.25Å; T101-Y103 VanDerWaalsContact O-N 3.08Å; T101-E145 PolarHBondContact N-OE1 3.24Å; T101-E145 PolarHBondContact OG1-OE1 3.24Å; T101-F146 WeakPolarHBondContact CB-O 3.21Å; T101-F146 PolarHBondContact OG1-O 2.79Å
102D68Low66.8Low115 Ų11591.2 Ų91.262%0.61544%0.436SS*.SBendtrans-74.16.4177.2-64.3-59000112.6R104 P176D102-R104 PolarHBondContact O-N 3.03Å; D102-P176 HydrophobicContact CB-CG 3.75Å; D102-P176 VanDerWaalsContact OD1-CG 3.32Å; D102-P176 WeakPolarHBondContact OD1-CG 3.38Å
103Y80.4Confident67.9Low88 Ų8890 Ų9035%0.34543%0.431SS..  trans-94.662.4-174.6-50.1-43.7000111.7T101 F146 Y149 M152T101-Y103 HydrophobicContact CG2-CD2 4.39Å; T101-Y103 PolarHBondContact O-N 3.25Å; T101-Y103 VanDerWaalsContact O-N 3.08Å; Y103-F146 PolarHBondContact O-N 3.43Å; Y103-Y149 AromaticContact CD1-CD2 3.82Å; Y103-Y149 HydrophobicContact CD1-CD2 3.82Å; Y103-Y149 HydrophobicContact CD1-CG 4.36Å; Y103-Y149 AromaticContact CE1-CD2 3.89Å; Y103-Y149 HydrophobicContact CE1-CD2 3.89Å; Y103-Y149 HydrophobicContact CE1-CG 4.17Å; Y103-M152 VanDerWaalsContact C-SD 3.51Å; Y103-M152 WeakPolarHBondContact CA-SD 3.22Å
104R85.4Confident69.1Low87 Ų8784 Ų8433%0.32840%0.399SS..EExtended strand (participates in β ladder)trans-101.4130.4-174.9-168.2169.4116.7133.18111.7D102 V143 I144 E145 D174D102-R104 PolarHBondContact O-N 3.03Å; R104-V143 HydrophobicContact CG-CG1 3.68Å; R104-I144 CarbonylContact C-O 3.52Å; R104-I144 VanDerWaalsContact CA-O 3.3Å; R104-I144 WeakPolarHBondContact CA-O 3.25Å; R104-I144 WeakPolarHBondContact CG-O 3.22Å; R104-E145 HydrophobicContact CB-CG 4.33Å; R104-D174 HydrophobicContact CB-CB 4.32Å; R104-D174 HydrophobicContact CG-CB 4.3Å; R104-D174 IonicContact CZ-OD2 3.94Å; R104-D174 IonicContact NE-OD2 2.73Å; R104-D174 PolarHBondContact NE-OD2 2.83Å; R104-D174 IonicContact NH2-OD2 3.23Å; R104-D174 PolarHBondContact NH2-OD2 3.25Å; R104-D174 PolarHBondContact O-N 2.75Å
105L86.5Confident70.6Confident0 Ų073.9 Ų73.90%037%0.367CS..EExtended strand (participates in β ladder)trans-107.1138.2167.7-59.7-173.1000110.2M123 V143 I144 F146 M152 A155 L156 L171 I172 E173L105-M123 HydrophobicContact CD1-CE 3.93Å; L105-V143 WeakPolarHBondContact O-CA 3.3Å; L105-I144 PolarHBondContact N-O 3.21Å; L105-I144 PolarHBondContact O-N 2.99Å; L105-F146 HydrophobicContact CD1-CD2 4.42Å; L105-F146 HydrophobicContact CD1-CE2 3.79Å; L105-F146 HydrophobicContact CG-CD2 4.47Å; L105-F146 HydrophobicContact CG-CE2 4.24Å; L105-M152 HydrophobicContact CD1-CG 4.14Å; L105-M152 HydrophobicContact CD2-CG 3.54Å; L105-M152 HydrophobicContact CD2-SD 3.96Å; L105-M152 HydrophobicContact CG-CG 3.71Å; L105-A155 HydrophobicContact CD1-CB 4.13Å; L105-L156 HydrophobicContact CD2-CD1 4.19Å; L105-L171 HydrophobicContact CD1-CB 4.34Å; L105-L171 HydrophobicContact CD1-CD1 4.22Å; L105-L171 HydrophobicContact CD1-CD2 4.36Å; L105-I172 CarbonylContact C-O 3.56Å; L105-I172 WeakPolarHBondContact CA-O 3.48Å; L105-E173 HydrophobicContact CD2-CB 4.31Å
106I87.6Confident72.6Confident43 Ų4371.4 Ų71.422%0.22136%0.356CS..EExtended strand (participates in β ladder)trans-91135.8161-69.8159.3000107.3E108 G142 I172 D174I106-E108 HydrophobicContact CG2-CG 4.19Å; I106-G142 WeakPolarHBondContact CA-O 3.44Å; I106-I172 HydrophobicContact CB-CB 4.48Å; I106-I172 PolarHBondContact N-O 3.29Å; I106-I172 PolarHBondContact O-N 3.17Å; I106-D174 HydrophobicContact CD1-CB 3.71Å; I106-D174 HydrophobicContact CG1-CB 3.91Å
107V85.9Confident74.3Confident0 Ų075.1 Ų75.10%037%0.366CS..EExtended strand (participates in β ladder)trans-108115.5174.4-164.50000108.6L110 L119 E141 G142 I144 I169 R170 L171V107-L110 HydrophobicContact CB-CD1 4Å; V107-L110 HydrophobicContact CB-CG 4.2Å; V107-L110 HydrophobicContact CG1-CD1 4.11Å; V107-L110 HydrophobicContact CG1-CD2 3.87Å; V107-L110 HydrophobicContact CG1-CG 3.76Å; V107-L119 HydrophobicContact CG1-CD1 4.36Å; V107-L119 HydrophobicContact CG2-CD1 4.25Å; V107-L119 HydrophobicContact CG2-CD2 4.07Å; V107-E141 CarbonylContact O-C 3.42Å; V107-E141 WeakPolarHBondContact O-CA 3.46Å; V107-G142 PolarHBondContact N-O 2.85Å; V107-G142 PolarHBondContact O-N 2.9Å; V107-I144 HydrophobicContact CG2-CD1 3.34Å; V107-I144 HydrophobicContact CG2-CG1 3.96Å; V107-I169 HydrophobicContact CG1-CB 3.76Å; V107-I169 HydrophobicContact CG1-CD1 4.2Å; V107-I169 HydrophobicContact CG1-CG2 4.05Å; V107-R170 CarbonylContact C-O 3.54Å; V107-R170 VanDerWaalsContact CA-O 3.3Å; V107-R170 WeakPolarHBondContact CA-O 3.31Å; V107-L171 HydrophobicContact CB-CD2 4.22Å; V107-L171 HydrophobicContact CG1-CD2 3.94Å; V107-L171 HydrophobicContact CG2-CD2 3.63Å
108E85.9Confident76.1Confident73 Ų7372.9 Ų72.934%0.34135%0.348SS..EExtended strand (participates in β ladder)trans-97.7160.9173.9-61.4-171.1160.400111I106 L110 R170 I172I106-E108 HydrophobicContact CG2-CG 4.19Å; E108-L110 VanDerWaalsContact C-N 3.26Å; E108-L110 PolarHBondContact O-N 3.44Å; E108-R170 HydrophobicContact CB-CB 4.23Å; E108-R170 PolarHBondContact N-O 2.98Å; E108-R170 PolarHBondContact O-N 2.98Å; E108-I172 VanDerWaalsContact CD-CD1 3.4Å; E108-I172 HydrophobicContact CG-CD1 3.99Å; E108-I172 WeakPolarHBondContact OE1-CD1 3.45Å
109N82.1Confident77.7Confident76 Ų7670.1 Ų70.141%0.40633%0.33SS..SBendtrans58.828.4178.6-163.647.1000115.4N140 K168N109-N140 PolarHBondContact N-O 3.25Å; N109-K168 PolarHBondContact ND2-O 3.02Å
110L80.9Confident79.3Confident0 Ų067.2 Ų67.20%031%0.308CS..  trans-57.9146.9170.4-77.1166.3000111.4V107 E108 C114 L119 T134 N140 R167 I169V107-L110 HydrophobicContact CB-CD1 4Å; V107-L110 HydrophobicContact CB-CG 4.2Å; V107-L110 HydrophobicContact CG1-CD1 4.11Å; V107-L110 HydrophobicContact CG1-CD2 3.87Å; V107-L110 HydrophobicContact CG1-CG 3.76Å; E108-L110 VanDerWaalsContact C-N 3.26Å; E108-L110 PolarHBondContact O-N 3.44Å; L110-C114 HydrophobicContact CD2-CB 4.02Å; L110-L119 HydrophobicContact CD1-CD2 4Å; L110-L119 HydrophobicContact CD2-CD1 3.85Å; L110-L119 HydrophobicContact CD2-CD2 4.47Å; L110-T134 HydrophobicContact CD1-CG2 4.08Å; L110-N140 PolarHBondContact N-O 2.81Å; L110-N140 WeakPolarHBondContact O-CA 3.32Å; L110-N140 WeakPolarHBondContact O-CB 3.35Å; L110-N140 PolarHBondContact O-OD1 3.27Å; L110-R167 PolarHBondContact O-NH1 2.9Å; L110-I169 HydrophobicContact CD2-CG2 3.66Å; L110-I169 HydrophobicContact CG-CG2 4.38Å
111S75.4Confident80.8Confident13 Ų1361.4 Ų61.49%0.09129%0.293CS..  trans-63.1141.1164.7-166.20000109.1R113 C114S111-R113 PolarHBondContact O-N 3.07Å; S111-C114 VanDerWaalsContact CB-SG 3.5Å; S111-C114 WeakPolarHBondContact O-CB 3.43Å; S111-C114 PolarHBondContact O-N 2.85Å
112S72.3Confident81.9Confident77 Ų7762.9 Ų62.954%0.53830%0.296SS..THydrogen-bonded Turntrans-68.4-0.1173.556.70000113.3
113R70.2Confident82.6Confident217 Ų21757.4 Ų57.482%0.81927%0.267SS*.THydrogen-bonded Turntrans-104.8-7.5170.8-51.6-176.387.6160.34.9112.5S111 S115S111-R113 PolarHBondContact O-N 3.07Å; R113-S115 PolarHBondContact O-N 2.83Å
114C74.5Confident82.8Confident2 Ų261 Ų611%0.01428%0.28CS..  trans-72.8115.2172.9-67.60000109.5L110 S111 N165L110-C114 HydrophobicContact CD2-CB 4.02Å; S111-C114 VanDerWaalsContact CB-SG 3.5Å; S111-C114 WeakPolarHBondContact O-CB 3.43Å; S111-C114 PolarHBondContact O-N 2.85Å; C114-N165 PolarHBondContact SG-ND2 3Å
115S83Confident82.7Confident37 Ų3763.8 Ų63.826%0.25930%0.296SS..  trans-81.2166.216775.30000111.2R113 Q117 D118 L119R113-S115 PolarHBondContact O-N 2.83Å; S115-Q117 PolarHBondContact O-N 2.71Å; S115-Q117 PolarHBondContact OG-N 2.71Å; S115-D118 WeakPolarHBondContact CA-OD2 3.14Å; S115-D118 VanDerWaalsContact CB-OD2 3.3Å; S115-D118 WeakPolarHBondContact CB-OD2 3.39Å; S115-D118 PolarHBondContact N-OD2 2.81Å; S115-D118 PolarHBondContact O-N 3.36Å; S115-D118 VanDerWaalsContact OG-CG 3.29Å; S115-D118 PolarHBondContact OG-N 3.16Å; S115-D118 PolarHBondContact OG-OD2 3.46Å; S115-L119 WeakPolarHBondContact O-CB 3.09Å; S115-L119 PolarHBondContact O-N 3.39Å
116W86.3Confident82.4Confident122 Ų12264.1 Ų64.146%0.46230%0.299SS..Hα-helixtrans-63.5-19.8171.364.3-94.1000112.8K120 T134W116-K120 WeakPolarHBondContact O-CB 3.1Å; W116-K120 PolarHBondContact O-N 3.45Å; W116-T134 HydrophobicContact CB-CG2 4.07Å; W116-T134 PolarHBondContact N-OG1 3.29Å
117Q86.1Confident82.2Confident108 Ų10862.8 Ų62.851%0.50530%0.297SS..Hα-helixtrans-72.4-54.2174.3-64.2178.9-9.500109.8S115 L119 K120 D121S115-Q117 PolarHBondContact O-N 2.71Å; S115-Q117 PolarHBondContact OG-N 2.71Å; Q117-L119 PolarHBondContact O-N 2.92Å; Q117-K120 WeakPolarHBondContact O-CB 3.46Å; Q117-K120 PolarHBondContact O-N 3.05Å; Q117-D121 PolarHBondContact O-N 3.34Å
118D86.5Confident82.1Confident67 Ų6767.7 Ų67.736%0.35832%0.319SS..Hα-helixtrans-55.3-43.1176.2-47.5-61.1000110.7S115 K120 Y122S115-D118 WeakPolarHBondContact CA-OD2 3.14Å; S115-D118 VanDerWaalsContact CB-OD2 3.3Å; S115-D118 WeakPolarHBondContact CB-OD2 3.39Å; S115-D118 PolarHBondContact N-OD2 2.81Å; S115-D118 PolarHBondContact O-N 3.36Å; S115-D118 VanDerWaalsContact OG-CG 3.29Å; S115-D118 PolarHBondContact OG-N 3.16Å; S115-D118 PolarHBondContact OG-OD2 3.46Å; D118-K120 PolarHBondContact O-N 3.02Å; D118-Y122 WeakPolarHBondContact O-CB 3.45Å; D118-Y122 PolarHBondContact O-N 3.3Å
119L84.9Confident82.1Confident0 Ų064.5 Ų64.50%031%0.305CS..Hα-helixtrans-64.7-39.3177.9-171.859.1000112.6V107 L110 S115 Q117 M123 T134 I144V107-L119 HydrophobicContact CG1-CD1 4.36Å; V107-L119 HydrophobicContact CG2-CD1 4.25Å; V107-L119 HydrophobicContact CG2-CD2 4.07Å; L110-L119 HydrophobicContact CD1-CD2 4Å; L110-L119 HydrophobicContact CD2-CD1 3.85Å; L110-L119 HydrophobicContact CD2-CD2 4.47Å; S115-L119 WeakPolarHBondContact O-CB 3.09Å; S115-L119 PolarHBondContact O-N 3.39Å; Q117-L119 PolarHBondContact O-N 2.92Å; L119-M123 HydrophobicContact CD1-CG 4.31Å; L119-M123 VanDerWaalsContact O-CB 3.26Å; L119-M123 WeakPolarHBondContact O-CB 3.29Å; L119-M123 WeakPolarHBondContact O-CG 3.43Å; L119-M123 PolarHBondContact O-N 2.68Å; L119-M123 VanDerWaalsContact O-N 3.08Å; L119-T134 HydrophobicContact CB-CG2 4.23Å; L119-T134 HydrophobicContact CD2-CG2 3.67Å; L119-I144 HydrophobicContact CD1-CD1 3.93Å; L119-I144 HydrophobicContact CD2-CD1 3.93Å; L119-I144 HydrophobicContact CD2-CG1 3.84Å; L119-I144 HydrophobicContact CG-CD1 3.75Å; L119-I144 HydrophobicContact CG-CG1 4.01Å
120K85.9Confident82.1Confident47 Ų4762.2 Ų62.220%0.20429%0.294CS..Hα-helixtrans-69.1-46.3177.5-172.7176.8-175.3-179.90111.3Y95 W116 Q117 D118 M123 R124 V129 A132Y95-K120 PolarHBondContact OH-NZ 3.29Å; W116-K120 WeakPolarHBondContact O-CB 3.1Å; W116-K120 PolarHBondContact O-N 3.45Å; Q117-K120 WeakPolarHBondContact O-CB 3.46Å; Q117-K120 PolarHBondContact O-N 3.05Å; D118-K120 PolarHBondContact O-N 3.02Å; K120-M123 PolarHBondContact O-N 2.94Å; K120-R124 WeakPolarHBondContact O-CG 3.38Å; K120-R124 PolarHBondContact O-N 2.92Å; K120-V129 HydrophobicContact CD-CG1 4.49Å; K120-V129 VanDerWaalsContact CE-O 3.27Å; K120-V129 WeakPolarHBondContact CE-O 3.46Å; K120-V129 HydrophobicContact CG-CB 4.01Å; K120-V129 HydrophobicContact CG-CG1 3.95Å; K120-A132 HydrophobicContact CB-CB 3.81Å; K120-A132 HydrophobicContact CD-CB 4.42Å; K120-A132 HydrophobicContact CG-CB 4.22Å
121D87.1Confident82.3Confident92 Ų9265.7 Ų65.749%0.49231%0.307SS..Hα-helixtrans-69.6-33.7-179.3-77.3-34.7000112.3Q117 R124Q117-D121 PolarHBondContact O-N 3.34Å; D121-R124 WeakPolarHBondContact OD1-CD 3.28Å; D121-R124 IonicContact OD1-CZ 3.77Å; D121-R124 IonicContact OD1-NH1 2.77Å; D121-R124 PolarHBondContact OD1-NH1 2.91Å
122Y84.6Confident82.8Confident57 Ų5765.8 Ų65.822%0.22431%0.309CS..Hα-helixtrans-61.7-47.7168.6-167.8-105.2000111.7D118 R124 Q125 L159 T162 V164 I169D118-Y122 WeakPolarHBondContact O-CB 3.45Å; D118-Y122 PolarHBondContact O-N 3.3Å; Y122-R124 VanDerWaalsContact C-N 3.28Å; Y122-R124 PolarHBondContact O-N 2.84Å; Y122-Q125 WeakPolarHBondContact O-CB 3.48Å; Y122-Q125 PolarHBondContact O-N 3.05Å; Y122-L159 HydrophobicContact CD1-CD1 4.45Å; Y122-L159 HydrophobicContact CE1-CB 4.05Å; Y122-L159 HydrophobicContact CE1-CD1 4.28Å; Y122-L159 HydrophobicContact CE1-CD2 3.78Å; Y122-L159 HydrophobicContact CE1-CG 4.24Å; Y122-T162 VanDerWaalsContact CE1-OG1 3.25Å; Y122-T162 WeakPolarHBondContact CE1-OG1 3.22Å; Y122-T162 WeakPolarHBondContact OH-CB 3.36Å; Y122-T162 WeakPolarHBondContact OH-CG2 3.39Å; Y122-T162 PolarHBondContact OH-OG1 3.36Å; Y122-T162 VanDerWaalsContact OH-OG1 3.09Å; Y122-V164 HydrophobicContact CD1-CG2 3.59Å; Y122-V164 HydrophobicContact CD2-CG2 4.13Å; Y122-V164 HydrophobicContact CE1-CG2 3.66Å; Y122-V164 HydrophobicContact CE2-CG2 4.21Å; Y122-V164 HydrophobicContact CG-CG2 3.86Å; Y122-I169 HydrophobicContact CD1-CD1 4.27Å; Y122-I169 HydrophobicContact CE1-CD1 4.17Å
123M83.4Confident83.3Confident0 Ų063.1 Ų63.10%029%0.289CS..Hα-helixtrans-78.4-13-174-65.7-80-83.400113.3L105 L119 K120 Q125 A126 G127 V129 I144 F146 A155 L159 L171L105-M123 HydrophobicContact CD1-CE 3.93Å; L119-M123 HydrophobicContact CD1-CG 4.31Å; L119-M123 VanDerWaalsContact O-CB 3.26Å; L119-M123 WeakPolarHBondContact O-CB 3.29Å; L119-M123 WeakPolarHBondContact O-CG 3.43Å; L119-M123 PolarHBondContact O-N 2.68Å; L119-M123 VanDerWaalsContact O-N 3.08Å; K120-M123 PolarHBondContact O-N 2.94Å; M123-Q125 PolarHBondContact O-N 3.03Å; M123-A126 PolarHBondContact O-N 2.93Å; M123-G127 PolarHBondContact O-N 2.56Å; M123-V129 HydrophobicContact CB-CG2 3.94Å; M123-I144 HydrophobicContact CB-CD1 4.29Å; M123-I144 HydrophobicContact CE-CD1 3.28Å; M123-I144 HydrophobicContact CG-CD1 3.59Å; M123-I144 HydrophobicContact SD-CD1 4.13Å; M123-F146 HydrophobicContact CB-CZ 4.11Å; M123-F146 HydrophobicContact CE-CE2 3.85Å; M123-F146 HydrophobicContact CE-CZ 3.76Å; M123-A155 HydrophobicContact CE-CB 3.81Å; M123-A155 HydrophobicContact SD-CB 4.33Å; M123-L159 HydrophobicContact CG-CD1 4.38Å; M123-L159 HydrophobicContact SD-CB 3.9Å; M123-L159 HydrophobicContact SD-CD1 3.39Å; M123-L159 WeakPolarHBondContact SD-CD1 3.43Å; M123-L159 HydrophobicContact SD-CG 4.29Å; M123-L171 HydrophobicContact CE-CD1 3.66Å; M123-L171 HydrophobicContact CE-CD2 3.6Å; M123-L171 HydrophobicContact CE-CG 4.32Å; M123-L171 HydrophobicContact SD-CD1 4.12Å; M123-L171 HydrophobicContact SD-CD2 4.4Å
124R84Confident83.9Confident163 Ų16353.7 Ų53.762%0.61526%0.255SS*.THydrogen-bonded Turntrans-60.9-19.4162.9-78.9171.668.6-155.80113.5K120 D121 Y122 A126 G127K120-R124 WeakPolarHBondContact O-CG 3.38Å; K120-R124 PolarHBondContact O-N 2.92Å; D121-R124 WeakPolarHBondContact OD1-CD 3.28Å; D121-R124 IonicContact OD1-CZ 3.77Å; D121-R124 IonicContact OD1-NH1 2.77Å; D121-R124 PolarHBondContact OD1-NH1 2.91Å; Y122-R124 VanDerWaalsContact C-N 3.28Å; Y122-R124 PolarHBondContact O-N 2.84Å; R124-A126 PolarHBondContact O-N 3.28Å; R124-G127 WeakPolarHBondContact CA-O 3.12Å
125Q82.7Confident83.6Confident145 Ų14556.8 Ų56.868%0.67827%0.27SS*.THydrogen-bonded Turntrans-64.3-25.3171.1-169.4176-2.100112.4Y122 M123Y122-Q125 WeakPolarHBondContact O-CB 3.48Å; Y122-Q125 PolarHBondContact O-N 3.05Å; M123-Q125 PolarHBondContact O-N 3.03Å
126A80.4Confident82.6Confident7 Ų762.4 Ų62.46%0.05829%0.289CS..THydrogen-bonded Turntrans-98.5-34177.200000114.2M123 R124 R154 A155 L159M123-A126 PolarHBondContact O-N 2.93Å; R124-A126 PolarHBondContact O-N 3.28Å; A126-R154 HydrophobicContact CB-CB 4.48Å; A126-R154 PolarHBondContact O-NH1 2.81Å; A126-A155 HydrophobicContact CB-CB 3.54Å; A126-L159 HydrophobicContact CB-CD1 3.54Å; A126-L159 HydrophobicContact CB-CG 4.25Å
127G83.6Confident81.3Confident16 Ų1659.8 Ų59.817%0.16530%0.3CS..SBendtrans169-164.4175.200000115.6M123 R124 V129M123-G127 PolarHBondContact O-N 2.56Å; R124-G127 WeakPolarHBondContact CA-O 3.12Å; G127-V129 PolarHBondContact O-N 3.31Å
128E83.9Confident80Confident102 Ų10263.1 Ų63.148%0.47731%0.308SS..  trans-81.1113.3-171.1-167-179.4-17100112.1R147 D151E128-R147 HydrophobicContact CB-CB 4.32Å; E128-R147 PolarHBondContact O-N 3.44Å; E128-R147 IonicContact OE1-NH1 3.21Å; E128-R147 WeakPolarHBondContact OE2-CD 3.39Å; E128-R147 IonicContact OE2-CZ 2.84Å; E128-R147 IonicContact OE2-NE 2.91Å; E128-R147 IonicContact OE2-NH1 3.25Å; E128-R147 PolarHBondContact OE2-NH1 3.04Å; E128-D151 PolarHBondContact N-OD2 2.92Å; E128-D151 VanDerWaalsContact N-OD2 3.12Å
129V85.5Confident79.1Confident6 Ų668.7 Ų68.74%0.03633%0.329CS..EExtended strand (participates in β ladder)trans-89.5108.7179.1178.20000111K120 M123 G127 Y131 A132 I144 F146K120-V129 HydrophobicContact CD-CG1 4.49Å; K120-V129 VanDerWaalsContact CE-O 3.27Å; K120-V129 WeakPolarHBondContact CE-O 3.46Å; K120-V129 HydrophobicContact CG-CB 4.01Å; K120-V129 HydrophobicContact CG-CG1 3.95Å; M123-V129 HydrophobicContact CB-CG2 3.94Å; G127-V129 PolarHBondContact O-N 3.31Å; V129-Y131 VanDerWaalsContact CG1-O 3.24Å; V129-Y131 WeakPolarHBondContact CG1-O 3.21Å; V129-A132 HydrophobicContact CG1-CB 4Å; V129-I144 HydrophobicContact CG1-CG2 3.69Å; V129-I144 HydrophobicContact CG2-CG2 4.05Å; V129-F146 HydrophobicContact CG2-CD1 4.08Å; V129-F146 HydrophobicContact CG2-CE1 3.64Å; V129-F146 HydrophobicContact CG2-CZ 4.11Å
130T83.7Confident78.6Confident29 Ų2971.3 Ų71.318%0.17834%0.343CS..EExtended strand (participates in β ladder)trans-68.5-41.5176.3-490000111.5P98 E145 R147P98-T130 HydrophobicContact CB-CG2 4.42Å; T130-E145 PolarHBondContact N-O 3Å; T130-R147 WeakPolarHBondContact OG1-CA 3.48Å; T130-R147 PolarHBondContact OG1-N 2.85Å
131Y83.3Confident78.5Confident72 Ų7271.8 Ų71.828%0.28235%0.346SS..EExtended strand (participates in β ladder)trans-145.2139-175.1-177-93.2000110.5P98 V129 D133 K136 I144 E145P98-Y131 HydrophobicContact CB-CD2 4.34Å; P98-Y131 HydrophobicContact CG-CD2 4.21Å; V129-Y131 VanDerWaalsContact CG1-O 3.24Å; V129-Y131 WeakPolarHBondContact CG1-O 3.21Å; Y131-D133 HydrophobicContact CE1-CB 3.69Å; Y131-D133 PolarHBondContact OH-OD2 3.34Å; Y131-K136 PolarHBondContact OH-NZ 2.77Å; Y131-I144 CarbonylContact O-C 3.56Å; Y131-I144 WeakPolarHBondContact O-CA 3.41Å; Y131-E145 PolarHBondContact N-O 3.29Å; Y131-E145 PolarHBondContact O-N 3.33Å
132A86.6Confident78.5Confident15 Ų1567.6 Ų67.612%0.12433%0.325CS..EExtended strand (participates in β ladder)trans-142.5143.6177.100000109.6K120 V129 V143K120-A132 HydrophobicContact CB-CB 3.81Å; K120-A132 HydrophobicContact CD-CB 4.42Å; K120-A132 HydrophobicContact CG-CB 4.22Å; V129-A132 HydrophobicContact CG1-CB 4Å; A132-V143 CarbonylContact C-O 3.52Å; A132-V143 WeakPolarHBondContact CA-O 3.35Å
133D84Confident78.6Confident21 Ų2166.1 Ų66.111%0.11232%0.321CS..EExtended strand (participates in β ladder)trans-156.1143.9-170.5-151.1-23000110.6Y131 K136 G142 V143Y131-D133 HydrophobicContact CE1-CB 3.69Å; Y131-D133 PolarHBondContact OH-OD2 3.34Å; D133-K136 WeakPolarHBondContact OD1-CE 3.06Å; D133-K136 WeakPolarHBondContact OD1-CG 3.25Å; D133-K136 IonicContact OD1-NZ 2.61Å; D133-K136 WeakPolarHBondContact OD2-CD 3.41Å; D133-K136 WeakPolarHBondContact OD2-CE 3.27Å; D133-K136 IonicContact OD2-NZ 3.71Å; D133-K136 PolarHBondContact OD2-NZ 2.88Å; D133-G142 CarbonylContact O-C 3.59Å; D133-G142 WeakPolarHBondContact O-CA 3.17Å; D133-V143 HydrophobicContact CB-CB 4.36Å; D133-V143 PolarHBondContact N-O 2.73Å; D133-V143 PolarHBondContact O-N 2.99Å
134T81.9Confident78.8Confident20 Ų2066.1 Ų66.112%0.12332%0.321CS..EExtended strand (participates in β ladder)trans-137.7138.5-177.4500000110.3L110 W116 L119 K136L110-T134 HydrophobicContact CD1-CG2 4.08Å; W116-T134 HydrophobicContact CB-CG2 4.07Å; W116-T134 PolarHBondContact N-OG1 3.29Å; L119-T134 HydrophobicContact CB-CG2 4.23Å; L119-T134 HydrophobicContact CD2-CG2 3.67Å; T134-K136 VanDerWaalsContact C-N 3.29Å; T134-K136 PolarHBondContact O-N 2.84Å
135H68.9Low79Confident67 Ų6759.2 Ų59.231%0.3130%0.296SS..SBendtrans64.119.4174-53.7-31.5000116.4G137 N140 E141H135-G137 VanDerWaalsContact C-N 3.26Å; H135-G137 PolarHBondContact O-N 3.31Å; H135-N140 PolarHBondContact CE1-N 2.96Å; H135-N140 PolarHBondContact ND1-N 3.48Å; H135-E141 WeakPolarHBondContact CA-O 3.49Å; H135-E141 PolarHBondContact N-O 2.93Å; H135-E141 PolarHBondContact ND1-O 3.19Å
136K61.7Low79.2Confident155 Ų15552.3 Ų52.367%0.67426%0.264SS*.SBendtrans-72.6-6.9176.3-99.4-162.7-158.7152.90116.7Y131 D133 T134Y131-K136 PolarHBondContact OH-NZ 2.77Å; D133-K136 WeakPolarHBondContact OD1-CE 3.06Å; D133-K136 WeakPolarHBondContact OD1-CG 3.25Å; D133-K136 IonicContact OD1-NZ 2.61Å; D133-K136 WeakPolarHBondContact OD2-CD 3.41Å; D133-K136 WeakPolarHBondContact OD2-CE 3.27Å; D133-K136 IonicContact OD2-NZ 3.71Å; D133-K136 PolarHBondContact OD2-NZ 2.88Å; T134-K136 VanDerWaalsContact C-N 3.29Å; T134-K136 PolarHBondContact O-N 2.84Å
137G58Low79.4Confident66 Ų6659 Ų5968%0.6829%0.288SS*.SBendtrans-131.4-67.1-179.500000111.5H135H135-G137 VanDerWaalsContact C-N 3.26Å; H135-G137 PolarHBondContact O-N 3.31Å
138R58.8Low79.4Confident178 Ų17862.8 Ų62.867%0.67230%0.301SS*.SBendtrans-121159.1172.6-49.6-169.5-168.1-168.6-4.2112E141R138-E141 HydrophobicContact CB-CB 4.45Å; R138-E141 VanDerWaalsContact CB-CD 3.5Å; R138-E141 HydrophobicContact CB-CG 4.07Å; R138-E141 WeakPolarHBondContact CB-OE2 3.21Å; R138-E141 WeakPolarHBondContact CD-OE1 3.44Å; R138-E141 WeakPolarHBondContact CG-OE1 3.38Å; R138-E141 WeakPolarHBondContact CG-OE2 3.4Å; R138-E141 PolarHBondContact N-OE2 2.81Å; R138-E141 IonicContact NE-OE1 3.77Å; R138-E141 PolarHBondContact O-N 2.95Å
139K67.1Low79.4Confident185 Ų18562.9 Ų62.980%0.80430%0.298SS*.THydrogen-bonded Turntrans-59.2138.7164.5-61177.1-178.3179.40107.6E141K139-E141 VanDerWaalsContact C-N 3.3Å; K139-E141 PolarHBondContact O-N 2.94Å
140N75.4Confident79.5Confident54 Ų5465.9 Ų65.929%0.28932%0.319SS..THydrogen-bonded Turntrans70.210.7-176.1-39.5-38.4000116.2N109 L110 H135 R167N109-N140 PolarHBondContact N-O 3.25Å; L110-N140 PolarHBondContact N-O 2.81Å; L110-N140 WeakPolarHBondContact O-CA 3.32Å; L110-N140 WeakPolarHBondContact O-CB 3.35Å; L110-N140 PolarHBondContact O-OD1 3.27Å; H135-N140 PolarHBondContact CE1-N 2.96Å; H135-N140 PolarHBondContact ND1-N 3.48Å; N140-R167 PolarHBondContact OD1-NH1 2.88Å
141E83.4Confident79.7Confident57 Ų5765.3 Ų65.327%0.26632%0.315SS..  trans-109.8152.4170.6-73173.6-171.800112.2V107 H135 R138 K139V107-E141 CarbonylContact O-C 3.42Å; V107-E141 WeakPolarHBondContact O-CA 3.46Å; H135-E141 WeakPolarHBondContact CA-O 3.49Å; H135-E141 PolarHBondContact N-O 2.93Å; H135-E141 PolarHBondContact ND1-O 3.19Å; R138-E141 HydrophobicContact CB-CB 4.45Å; R138-E141 VanDerWaalsContact CB-CD 3.5Å; R138-E141 HydrophobicContact CB-CG 4.07Å; R138-E141 WeakPolarHBondContact CB-OE2 3.21Å; R138-E141 WeakPolarHBondContact CD-OE1 3.44Å; R138-E141 WeakPolarHBondContact CG-OE1 3.38Å; R138-E141 WeakPolarHBondContact CG-OE2 3.4Å; R138-E141 PolarHBondContact N-OE2 2.81Å; R138-E141 IonicContact NE-OE1 3.77Å; R138-E141 PolarHBondContact O-N 2.95Å; K139-E141 VanDerWaalsContact C-N 3.3Å; K139-E141 PolarHBondContact O-N 2.94Å
142G86.4Confident79.8Confident5 Ų562 Ų625%0.05230%0.302CS..EExtended strand (participates in β ladder)trans-150.1169.7175.400000112I106 V107 D133I106-G142 WeakPolarHBondContact CA-O 3.44Å; V107-G142 PolarHBondContact N-O 2.85Å; V107-G142 PolarHBondContact O-N 2.9Å; D133-G142 CarbonylContact O-C 3.59Å; D133-G142 WeakPolarHBondContact O-CA 3.17Å
143V87.8Confident79.8Confident25 Ų2566.6 Ų66.615%0.15232%0.319CS..EExtended strand (participates in β ladder)trans-138.1135.8-178.9175.30000109R104 L105 A132 D133R104-V143 HydrophobicContact CG-CG1 3.68Å; L105-V143 WeakPolarHBondContact O-CA 3.3Å; A132-V143 CarbonylContact C-O 3.52Å; A132-V143 WeakPolarHBondContact CA-O 3.35Å; D133-V143 HydrophobicContact CB-CB 4.36Å; D133-V143 PolarHBondContact N-O 2.73Å; D133-V143 PolarHBondContact O-N 2.99Å
144I88.3Confident79.9Confident0 Ų071.8 Ų71.80%034%0.337CS..EExtended strand (participates in β ladder)trans-130.4143.2177.4-58.5159.9000108.6R104 L105 V107 L119 M123 V129 Y131 F146R104-I144 CarbonylContact C-O 3.52Å; R104-I144 VanDerWaalsContact CA-O 3.3Å; R104-I144 WeakPolarHBondContact CA-O 3.25Å; R104-I144 WeakPolarHBondContact CG-O 3.22Å; L105-I144 PolarHBondContact N-O 3.21Å; L105-I144 PolarHBondContact O-N 2.99Å; V107-I144 HydrophobicContact CG2-CD1 3.34Å; V107-I144 HydrophobicContact CG2-CG1 3.96Å; L119-I144 HydrophobicContact CD1-CD1 3.93Å; L119-I144 HydrophobicContact CD2-CD1 3.93Å; L119-I144 HydrophobicContact CD2-CG1 3.84Å; L119-I144 HydrophobicContact CG-CD1 3.75Å; L119-I144 HydrophobicContact CG-CG1 4.01Å; M123-I144 HydrophobicContact CB-CD1 4.29Å; M123-I144 HydrophobicContact CE-CD1 3.28Å; M123-I144 HydrophobicContact CG-CD1 3.59Å; M123-I144 HydrophobicContact SD-CD1 4.13Å; V129-I144 HydrophobicContact CG1-CG2 3.69Å; V129-I144 HydrophobicContact CG2-CG2 4.05Å; Y131-I144 CarbonylContact O-C 3.56Å; Y131-I144 WeakPolarHBondContact O-CA 3.41Å; I144-F146 HydrophobicContact CG2-CD2 4.04Å; I144-F146 HydrophobicContact CG2-CE2 3.65Å; I144-F146 HydrophobicContact CG2-CZ 4.08Å
145E87.5Confident80.2Confident19 Ų1970.8 Ų70.89%0.08933%0.331CS..EExtended strand (participates in β ladder)trans-126.5122.8175.7-141.9-176.694.600109V99 R100 T101 R104 T130 Y131V99-E145 VanDerWaalsContact O-OE1 3.1Å; R100-E145 VanDerWaalsContact CA-OE1 3.27Å; R100-E145 WeakPolarHBondContact CA-OE1 3.45Å; T101-E145 PolarHBondContact N-OE1 3.24Å; T101-E145 PolarHBondContact OG1-OE1 3.24Å; R104-E145 HydrophobicContact CB-CG 4.33Å; T130-E145 PolarHBondContact N-O 3Å; Y131-E145 PolarHBondContact N-O 3.29Å; Y131-E145 PolarHBondContact O-N 3.33Å
146F87.3Confident81Confident0 Ų070.4 Ų70.40%033%0.331CS..EExtended strand (participates in β ladder)trans-96.6148.9-179.1-76.5-85.4000111.7T101 Y103 L105 M123 V129 I144 Q148 D151 M152 A155T101-F146 WeakPolarHBondContact CB-O 3.21Å; T101-F146 PolarHBondContact OG1-O 2.79Å; Y103-F146 PolarHBondContact O-N 3.43Å; L105-F146 HydrophobicContact CD1-CD2 4.42Å; L105-F146 HydrophobicContact CD1-CE2 3.79Å; L105-F146 HydrophobicContact CG-CD2 4.47Å; L105-F146 HydrophobicContact CG-CE2 4.24Å; M123-F146 HydrophobicContact CB-CZ 4.11Å; M123-F146 HydrophobicContact CE-CE2 3.85Å; M123-F146 HydrophobicContact CE-CZ 3.76Å; V129-F146 HydrophobicContact CG2-CD1 4.08Å; V129-F146 HydrophobicContact CG2-CE1 3.64Å; V129-F146 HydrophobicContact CG2-CZ 4.11Å; I144-F146 HydrophobicContact CG2-CD2 4.04Å; I144-F146 HydrophobicContact CG2-CE2 3.65Å; I144-F146 HydrophobicContact CG2-CZ 4.08Å; F146-Q148 VanDerWaalsContact C-N 3.3Å; F146-Q148 PolarHBondContact O-N 2.71Å; F146-D151 HydrophobicContact CB-CB 4.41Å; F146-D151 HydrophobicContact CD1-CB 3.7Å; F146-D151 HydrophobicContact CE1-CB 4.32Å; F146-D151 HydrophobicContact CG-CB 4.31Å; F146-M152 HydrophobicContact CB-CB 4.09Å; F146-M152 HydrophobicContact CD2-CB 3.92Å; F146-M152 HydrophobicContact CD2-CG 4.06Å; F146-M152 HydrophobicContact CG-CB 4.17Å; F146-A155 HydrophobicContact CE1-CB 4.3Å; F146-A155 HydrophobicContact CE2-CB 3.85Å; F146-A155 HydrophobicContact CZ-CB 3.48Å; F146-A155 VanDerWaalsContact CZ-CB 3.48Å
147R84Confident82Confident147 Ų14769.8 Ų69.856%0.55533%0.33SS*.SBendtrans-67.8-30.6174.3-168.7179.4177.7-179-1.9112.7E128 T130E128-R147 HydrophobicContact CB-CB 4.32Å; E128-R147 PolarHBondContact O-N 3.44Å; E128-R147 IonicContact OE1-NH1 3.21Å; E128-R147 WeakPolarHBondContact OE2-CD 3.39Å; E128-R147 IonicContact OE2-CZ 2.84Å; E128-R147 IonicContact OE2-NE 2.91Å; E128-R147 IonicContact OE2-NH1 3.25Å; E128-R147 PolarHBondContact OE2-NH1 3.04Å; T130-R147 WeakPolarHBondContact OG1-CA 3.48Å; T130-R147 PolarHBondContact OG1-N 2.85Å
148Q84.1Confident83.2Confident96 Ų9673.3 Ų73.345%0.44933%0.327SS..  trans-127.9146.6-177.7-54.3-168.12700112.6F146 S150 D151 M152F146-Q148 VanDerWaalsContact C-N 3.3Å; F146-Q148 PolarHBondContact O-N 2.71Å; Q148-S150 VanDerWaalsContact C-N 3.27Å; Q148-S150 PolarHBondContact O-N 3.48Å; Q148-D151 HydrophobicContact CB-CB 4.35Å; Q148-D151 PolarHBondContact O-N 2.93Å; Q148-M152 PolarHBondContact O-N 3.32Å; Q148-M152 VanDerWaalsContact O-N 3.13Å
149Y83.8Confident84.3Confident104 Ų10465.1 Ų65.141%0.40830%0.297SS..Hα-helixtrans-60-37.5169.9-176-105.8000112.3Y103 D151 M152 K153Y103-Y149 AromaticContact CD1-CD2 3.82Å; Y103-Y149 HydrophobicContact CD1-CD2 3.82Å; Y103-Y149 HydrophobicContact CD1-CG 4.36Å; Y103-Y149 AromaticContact CE1-CD2 3.89Å; Y103-Y149 HydrophobicContact CE1-CD2 3.89Å; Y103-Y149 HydrophobicContact CE1-CG 4.17Å; Y149-D151 VanDerWaalsContact C-N 3.34Å; Y149-D151 PolarHBondContact O-N 3.07Å; Y149-M152 HydrophobicContact CD2-CE 3.63Å; Y149-M152 HydrophobicContact CE2-CE 3.42Å; Y149-M152 VanDerWaalsContact CE2-CE 3.42Å; Y149-M152 WeakPolarHBondContact O-CB 3.35Å; Y149-M152 PolarHBondContact O-N 2.83Å; Y149-K153 HydrophobicContact CE1-CD 4.46Å; Y149-K153 WeakPolarHBondContact O-CB 3.12Å; Y149-K153 PolarHBondContact O-N 2.84Å
150S87.6Confident85.1Confident68 Ų6860 Ų6048%0.47628%0.278SS..Hα-helixtrans-59.6-44.1178-540000111.9Q148 K153 R154Q148-S150 VanDerWaalsContact C-N 3.27Å; Q148-S150 PolarHBondContact O-N 3.48Å; S150-K153 PolarHBondContact O-N 3.12Å; S150-R154 WeakPolarHBondContact O-CB 3.5Å; S150-R154 WeakPolarHBondContact O-CG 3Å; S150-R154 PolarHBondContact O-N 3.2Å
151D87.6Confident85.4Confident17 Ų1759 Ų599%0.09128%0.28CS..Hα-helixtrans-67.4-44.7178.4-65.3-13.1000110.8E128 F146 Q148 Y149 K153 R154 A155E128-D151 PolarHBondContact N-OD2 2.92Å; E128-D151 VanDerWaalsContact N-OD2 3.12Å; F146-D151 HydrophobicContact CB-CB 4.41Å; F146-D151 HydrophobicContact CD1-CB 3.7Å; F146-D151 HydrophobicContact CE1-CB 4.32Å; F146-D151 HydrophobicContact CG-CB 4.31Å; Q148-D151 HydrophobicContact CB-CB 4.35Å; Q148-D151 PolarHBondContact O-N 2.93Å; Y149-D151 VanDerWaalsContact C-N 3.34Å; Y149-D151 PolarHBondContact O-N 3.07Å; D151-K153 VanDerWaalsContact C-N 3.34Å; D151-K153 PolarHBondContact O-N 3.09Å; D151-R154 PolarHBondContact O-N 3.4Å; D151-A155 WeakPolarHBondContact O-CB 3.1Å; D151-A155 PolarHBondContact O-N 3.2Å
152M85.6Confident85.3Confident2 Ų257.7 Ų57.71%0.0128%0.276CS..Hα-helixtrans-56.6-45.8174.4-169.8-164.979.200111.9Y103 L105 F146 Q148 Y149 A155 L156 E173Y103-M152 VanDerWaalsContact C-SD 3.51Å; Y103-M152 WeakPolarHBondContact CA-SD 3.22Å; L105-M152 HydrophobicContact CD1-CG 4.14Å; L105-M152 HydrophobicContact CD2-CG 3.54Å; L105-M152 HydrophobicContact CD2-SD 3.96Å; L105-M152 HydrophobicContact CG-CG 3.71Å; F146-M152 HydrophobicContact CB-CB 4.09Å; F146-M152 HydrophobicContact CD2-CB 3.92Å; F146-M152 HydrophobicContact CD2-CG 4.06Å; F146-M152 HydrophobicContact CG-CB 4.17Å; Q148-M152 PolarHBondContact O-N 3.32Å; Q148-M152 VanDerWaalsContact O-N 3.13Å; Y149-M152 HydrophobicContact CD2-CE 3.63Å; Y149-M152 HydrophobicContact CE2-CE 3.42Å; Y149-M152 VanDerWaalsContact CE2-CE 3.42Å; Y149-M152 WeakPolarHBondContact O-CB 3.35Å; Y149-M152 PolarHBondContact O-N 2.83Å; M152-A155 PolarHBondContact O-N 3.21Å; M152-L156 PolarHBondContact O-N 3.09Å; M152-E173 HydrophobicContact CE-CG 3.82Å; M152-E173 HydrophobicContact SD-CG 4.37Å
153K86.3Confident85.1Confident113 Ų11363.6 Ų63.649%0.49130%0.303SS..Hα-helixtrans-67.6-41.7178.7-175.3178.6175.3-174.90111.8Y149 S150 D151 A155 L156 E157Y149-K153 HydrophobicContact CE1-CD 4.46Å; Y149-K153 WeakPolarHBondContact O-CB 3.12Å; Y149-K153 PolarHBondContact O-N 2.84Å; S150-K153 PolarHBondContact O-N 3.12Å; D151-K153 VanDerWaalsContact C-N 3.34Å; D151-K153 PolarHBondContact O-N 3.09Å; K153-A155 VanDerWaalsContact C-N 3.29Å; K153-A155 PolarHBondContact O-N 2.74Å; K153-L156 PolarHBondContact O-N 2.85Å; K153-E157 WeakPolarHBondContact O-CB 3.48Å; K153-E157 PolarHBondContact O-N 2.82Å
154R87.3Confident84.5Confident129 Ų12962.9 Ų62.949%0.48730%0.298SS..Hα-helixtrans-63.9-35.4175.4-70.9169.390.6-149.89.7111.8A126 S150 D151 K158A126-R154 HydrophobicContact CB-CB 4.48Å; A126-R154 PolarHBondContact O-NH1 2.81Å; S150-R154 WeakPolarHBondContact O-CB 3.5Å; S150-R154 WeakPolarHBondContact O-CG 3Å; S150-R154 PolarHBondContact O-N 3.2Å; D151-R154 PolarHBondContact O-N 3.4Å; R154-K158 WeakPolarHBondContact O-CB 3.45Å; R154-K158 PolarHBondContact O-N 2.93Å
155A86.6Confident83.5Confident0 Ų067.2 Ų67.20%032%0.321CS..Hα-helixtrans-66-48.6173.300000110.9L105 M123 A126 F146 D151 M152 K153 E157 K158 L159 D160 L171L105-A155 HydrophobicContact CD1-CB 4.13Å; M123-A155 HydrophobicContact CE-CB 3.81Å; M123-A155 HydrophobicContact SD-CB 4.33Å; A126-A155 HydrophobicContact CB-CB 3.54Å; F146-A155 HydrophobicContact CE1-CB 4.3Å; F146-A155 HydrophobicContact CE2-CB 3.85Å; F146-A155 HydrophobicContact CZ-CB 3.48Å; F146-A155 VanDerWaalsContact CZ-CB 3.48Å; D151-A155 WeakPolarHBondContact O-CB 3.1Å; D151-A155 PolarHBondContact O-N 3.2Å; M152-A155 PolarHBondContact O-N 3.21Å; K153-A155 VanDerWaalsContact C-N 3.29Å; K153-A155 PolarHBondContact O-N 2.74Å; A155-E157 VanDerWaalsContact C-N 3.27Å; A155-E157 PolarHBondContact O-N 3.45Å; A155-K158 PolarHBondContact O-N 3.22Å; A155-L159 HydrophobicContact CB-CD1 4.3Å; A155-L159 WeakPolarHBondContact O-CA 3.48Å; A155-L159 VanDerWaalsContact O-CB 3.28Å; A155-L159 WeakPolarHBondContact O-CB 3.38Å; A155-L159 PolarHBondContact O-N 2.76Å; A155-D160 PolarHBondContact O-N 3.15Å; A155-L171 HydrophobicContact CB-CD1 4.48Å; A155-L171 VanDerWaalsContact O-CD1 3.26Å; A155-L171 WeakPolarHBondContact O-CD1 3.26Å
156L86Confident83Confident58 Ų5869.5 Ų69.530%0.30435%0.35SS..Hα-helixtrans-57.6-38.5175.5-163.183000112.6L105 M152 K153 D160 L171L105-L156 HydrophobicContact CD2-CD1 4.19Å; M152-L156 PolarHBondContact O-N 3.09Å; K153-L156 PolarHBondContact O-N 2.85Å; L156-D160 WeakPolarHBondContact O-CB 3.32Å; L156-L171 HydrophobicContact CD1-CB 3.91Å; L156-L171 VanDerWaalsContact CD1-O 3.28Å; L156-L171 WeakPolarHBondContact CD1-O 3.45Å
157E83.5Confident82.6Confident142 Ų14273.6 Ų73.666%0.66437%0.366SS*.Hα-helixtrans-80.6-30.3-176.4-170.1179.6157.900113.8K153 A155K153-E157 WeakPolarHBondContact O-CB 3.48Å; K153-E157 PolarHBondContact O-N 2.82Å; A155-E157 VanDerWaalsContact C-N 3.27Å; A155-E157 PolarHBondContact O-N 3.45Å
158K82.3Confident82.6Confident141 Ų14172.1 Ų72.161%0.61336%0.363SS*.Hα-helixtrans-115.4-24.3-172.2-61.6-169174.5-1620115.5R154 A155 T162R154-K158 WeakPolarHBondContact O-CB 3.45Å; R154-K158 PolarHBondContact O-N 2.93Å; A155-K158 PolarHBondContact O-N 3.22Å; K158-T162 WeakPolarHBondContact O-CG2 3.44Å
159L81.6Confident82.7Confident6 Ų667.5 Ų67.53%0.03134%0.342CS..THydrogen-bonded Turntrans-108-7.6-175.6-54.2-177.2000112.1Y122 M123 A126 A155 T162 L171Y122-L159 HydrophobicContact CD1-CD1 4.45Å; Y122-L159 HydrophobicContact CE1-CB 4.05Å; Y122-L159 HydrophobicContact CE1-CD1 4.28Å; Y122-L159 HydrophobicContact CE1-CD2 3.78Å; Y122-L159 HydrophobicContact CE1-CG 4.24Å; M123-L159 HydrophobicContact CG-CD1 4.38Å; M123-L159 HydrophobicContact SD-CB 3.9Å; M123-L159 HydrophobicContact SD-CD1 3.39Å; M123-L159 WeakPolarHBondContact SD-CD1 3.43Å; M123-L159 HydrophobicContact SD-CG 4.29Å; A126-L159 HydrophobicContact CB-CD1 3.54Å; A126-L159 HydrophobicContact CB-CG 4.25Å; A155-L159 HydrophobicContact CB-CD1 4.3Å; A155-L159 WeakPolarHBondContact O-CA 3.48Å; A155-L159 VanDerWaalsContact O-CB 3.28Å; A155-L159 WeakPolarHBondContact O-CB 3.38Å; A155-L159 PolarHBondContact O-N 2.76Å; L159-T162 PolarHBondContact O-OG1 3.3Å; L159-L171 HydrophobicContact CB-CD1 3.89Å
160D85.2Confident82.7Confident77 Ų7770.1 Ų70.141%0.41235%0.351SS..THydrogen-bonded Turntrans-67.7138.8166.8-17355.9000111.2A155 L156 T162 R170 L171A155-D160 PolarHBondContact O-N 3.15Å; L156-D160 WeakPolarHBondContact O-CB 3.32Å; D160-T162 PolarHBondContact O-N 2.94Å; D160-R170 VanDerWaalsContact OD1-CA 3.24Å; D160-R170 WeakPolarHBondContact OD1-CA 3.45Å; D160-L171 HydrophobicContact CB-CB 4.27Å; D160-L171 HydrophobicContact CB-CD1 4.48Å; D160-L171 HydrophobicContact CB-CG 4.48Å; D160-L171 PolarHBondContact OD1-N 2.81Å
161G80.6Confident82.7Confident33 Ų3367.4 Ų67.434%0.3433%0.331SS..THydrogen-bonded Turntrans73.61.1-178.400000115.6K168 I169G161-K168 WeakPolarHBondContact O-CD 3.4Å; G161-K168 WeakPolarHBondContact O-CG 3.07Å; G161-I169 VanDerWaalsContact CA-O 3.28Å; G161-I169 WeakPolarHBondContact CA-O 3.25Å; G161-I169 PolarHBondContact N-O 3.42Å
162T82.9Confident82.5Confident29 Ų2970.1 Ų70.118%0.17835%0.345CS..  trans-78.3148.9-177.659.90000113.4Y122 K158 L159 D160 V164 K168 I169Y122-T162 VanDerWaalsContact CE1-OG1 3.25Å; Y122-T162 WeakPolarHBondContact CE1-OG1 3.22Å; Y122-T162 WeakPolarHBondContact OH-CB 3.36Å; Y122-T162 WeakPolarHBondContact OH-CG2 3.39Å; Y122-T162 PolarHBondContact OH-OG1 3.36Å; Y122-T162 VanDerWaalsContact OH-OG1 3.09Å; K158-T162 WeakPolarHBondContact O-CG2 3.44Å; L159-T162 PolarHBondContact O-OG1 3.3Å; D160-T162 PolarHBondContact O-N 2.94Å; T162-V164 PolarHBondContact O-N 2.86Å; T162-K168 CarbonylContact O-C 3.56Å; T162-K168 VanDerWaalsContact O-CA 3.26Å; T162-K168 WeakPolarHBondContact O-CA 3.45Å; T162-I169 WeakPolarHBondContact O-CG1 3.32Å; T162-I169 PolarHBondContact O-N 2.82Å
163E80.9Confident82.4Confident130 Ų13072.9 Ų72.961%0.60736%0.357SS*.EExtended strand (participates in β ladder)trans-87.198.9-176-69.7-178.5-179.200111.9R167 K168E163-R167 CarbonylContact C-O 3.59Å; E163-R167 WeakPolarHBondContact CA-O 3.22Å; E163-K168 HydrophobicContact CG-CD 4.37Å; E163-K168 HydrophobicContact CG-CG 3.54Å; E163-K168 WeakPolarHBondContact OE1-CE 3.3Å; E163-K168 IonicContact OE1-NZ 3.54Å
164V76.1Confident81.8Confident9 Ų969.7 Ų69.76%0.05535%0.346CS..EExtended strand (participates in β ladder)trans-100.5118.7173-173.30000108.7Y122 T162 G166 R167 I169Y122-V164 HydrophobicContact CD1-CG2 3.59Å; Y122-V164 HydrophobicContact CD2-CG2 4.13Å; Y122-V164 HydrophobicContact CE1-CG2 3.66Å; Y122-V164 HydrophobicContact CE2-CG2 4.21Å; Y122-V164 HydrophobicContact CG-CG2 3.86Å; T162-V164 PolarHBondContact O-N 2.86Å; V164-G166 VanDerWaalsContact C-N 3.28Å; V164-G166 PolarHBondContact O-N 2.82Å; V164-R167 PolarHBondContact N-O 2.93Å; V164-R167 PolarHBondContact O-N 2.94Å; V164-I169 HydrophobicContact CB-CG2 3.93Å; V164-I169 HydrophobicContact CG2-CD1 3.86Å; V164-I169 HydrophobicContact CG2-CG1 4.06Å; V164-I169 HydrophobicContact CG2-CG2 3.95Å
165N67.2Low80.4Confident91 Ų9171.7 Ų71.749%0.48735%0.353SS..THydrogen-bonded Turntrans5045.3-177.8-65.9-45000113.5C114 R167C114-N165 PolarHBondContact SG-ND2 3Å; N165-R167 PolarHBondContact O-N 3.19Å
166G76.1Confident78.8Confident68 Ų6874.8 Ų74.870%0.70137%0.374SS*.THydrogen-bonded Turntrans76.513.4176.300000115.5V164V164-G166 VanDerWaalsContact C-N 3.28Å; V164-G166 PolarHBondContact O-N 2.82Å
167R79.7Confident77Confident86 Ų8675.3 Ų75.333%0.32539%0.393SS..EExtended strand (participates in β ladder)trans-131.9139.2172-66.5-166.3-175.7160.8-2.7111.8L110 N140 E163 V164 N165 I169L110-R167 PolarHBondContact O-NH1 2.9Å; N140-R167 PolarHBondContact OD1-NH1 2.88Å; E163-R167 CarbonylContact C-O 3.59Å; E163-R167 WeakPolarHBondContact CA-O 3.22Å; V164-R167 PolarHBondContact N-O 2.93Å; V164-R167 PolarHBondContact O-N 2.94Å; N165-R167 PolarHBondContact O-N 3.19Å; R167-I169 PolarHBondContact O-N 3.48Å
168K83.6Confident75.4Confident115 Ų11572.6 Ų72.650%0.540%0.395SS..EExtended strand (participates in β ladder)trans-70.7110172.8-66.1-172.1-179.2-173.80110.1N109 G161 T162 E163N109-K168 PolarHBondContact ND2-O 3.02Å; G161-K168 WeakPolarHBondContact O-CD 3.4Å; G161-K168 WeakPolarHBondContact O-CG 3.07Å; T162-K168 CarbonylContact O-C 3.56Å; T162-K168 VanDerWaalsContact O-CA 3.26Å; T162-K168 WeakPolarHBondContact O-CA 3.45Å; E163-K168 HydrophobicContact CG-CD 4.37Å; E163-K168 HydrophobicContact CG-CG 3.54Å; E163-K168 WeakPolarHBondContact OE1-CE 3.3Å; E163-K168 IonicContact OE1-NZ 3.54Å
169I87.4Confident73.8Confident0 Ų076.9 Ų76.90%041%0.407CS..  trans-72.1148.7173.361.2164.8000109.9V107 L110 Y122 G161 T162 V164 R167 L171V107-I169 HydrophobicContact CG1-CB 3.76Å; V107-I169 HydrophobicContact CG1-CD1 4.2Å; V107-I169 HydrophobicContact CG1-CG2 4.05Å; L110-I169 HydrophobicContact CD2-CG2 3.66Å; L110-I169 HydrophobicContact CG-CG2 4.38Å; Y122-I169 HydrophobicContact CD1-CD1 4.27Å; Y122-I169 HydrophobicContact CE1-CD1 4.17Å; G161-I169 VanDerWaalsContact CA-O 3.28Å; G161-I169 WeakPolarHBondContact CA-O 3.25Å; G161-I169 PolarHBondContact N-O 3.42Å; T162-I169 WeakPolarHBondContact O-CG1 3.32Å; T162-I169 PolarHBondContact O-N 2.82Å; V164-I169 HydrophobicContact CB-CG2 3.93Å; V164-I169 HydrophobicContact CG2-CD1 3.86Å; V164-I169 HydrophobicContact CG2-CG1 4.06Å; V164-I169 HydrophobicContact CG2-CG2 3.95Å; R167-I169 PolarHBondContact O-N 3.48Å; I169-L171 HydrophobicContact CD1-CD2 4.26Å; I169-L171 HydrophobicContact CD1-CG 4.5Å
170R83.6Confident72.3Confident159 Ų15987.2 Ų87.260%0.645%0.446SS*.EExtended strand (participates in β ladder)trans-116.5134169-74.6-178.2176.7178.9-2109.9V107 E108 D160V107-R170 CarbonylContact C-O 3.54Å; V107-R170 VanDerWaalsContact CA-O 3.3Å; V107-R170 WeakPolarHBondContact CA-O 3.31Å; E108-R170 HydrophobicContact CB-CB 4.23Å; E108-R170 PolarHBondContact N-O 2.98Å; E108-R170 PolarHBondContact O-N 2.98Å; D160-R170 VanDerWaalsContact OD1-CA 3.24Å; D160-R170 WeakPolarHBondContact OD1-CA 3.45Å
171L86.6Confident70.3Confident11 Ų1194.8 Ų94.86%0.05847%0.469CS..EExtended strand (participates in β ladder)trans-107.7124.4-178.9-63.4179.6000110.4L105 V107 M123 A155 L156 L159 D160 I169L105-L171 HydrophobicContact CD1-CB 4.34Å; L105-L171 HydrophobicContact CD1-CD1 4.22Å; L105-L171 HydrophobicContact CD1-CD2 4.36Å; V107-L171 HydrophobicContact CB-CD2 4.22Å; V107-L171 HydrophobicContact CG1-CD2 3.94Å; V107-L171 HydrophobicContact CG2-CD2 3.63Å; M123-L171 HydrophobicContact CE-CD1 3.66Å; M123-L171 HydrophobicContact CE-CD2 3.6Å; M123-L171 HydrophobicContact CE-CG 4.32Å; M123-L171 HydrophobicContact SD-CD1 4.12Å; M123-L171 HydrophobicContact SD-CD2 4.4Å; A155-L171 HydrophobicContact CB-CD1 4.48Å; A155-L171 VanDerWaalsContact O-CD1 3.26Å; A155-L171 WeakPolarHBondContact O-CD1 3.26Å; L156-L171 HydrophobicContact CD1-CB 3.91Å; L156-L171 VanDerWaalsContact CD1-O 3.28Å; L156-L171 WeakPolarHBondContact CD1-O 3.45Å; L159-L171 HydrophobicContact CB-CD1 3.89Å; D160-L171 HydrophobicContact CB-CB 4.27Å; D160-L171 HydrophobicContact CB-CD1 4.48Å; D160-L171 HydrophobicContact CB-CG 4.48Å; D160-L171 PolarHBondContact OD1-N 2.81Å; I169-L171 HydrophobicContact CD1-CD2 4.26Å; I169-L171 HydrophobicContact CD1-CG 4.5Å
172I84.1Confident68.4Low73 Ų73104.8 Ų104.837%0.37450%0.496SS..EExtended strand (participates in β ladder)trans-122126.7-179.9-59-179.2000108.9L105 I106 E108 D174L105-I172 CarbonylContact C-O 3.56Å; L105-I172 WeakPolarHBondContact CA-O 3.48Å; I106-I172 HydrophobicContact CB-CB 4.48Å; I106-I172 PolarHBondContact N-O 3.29Å; I106-I172 PolarHBondContact O-N 3.17Å; E108-I172 VanDerWaalsContact CD-CD1 3.4Å; E108-I172 HydrophobicContact CG-CD1 3.99Å; E108-I172 WeakPolarHBondContact OE1-CD1 3.45Å; I172-D174 PolarHBondContact O-N 3.32Å; I172-D174 VanDerWaalsContact O-N 3.16Å
173E82.9Confident66.3Low60 Ų60107.8 Ų107.828%0.2852%0.518SS..EExtended strand (participates in β ladder)trans-65.9109.6172.6-174.1-175.8135.200110.1L105 M152 R175L105-E173 HydrophobicContact CD2-CB 4.31Å; M152-E173 HydrophobicContact CE-CG 3.82Å; M152-E173 HydrophobicContact SD-CG 4.37Å; E173-R175 VanDerWaalsContact C-N 3.34Å; E173-R175 HydrophobicContact CG-CG 4.13Å; E173-R175 PolarHBondContact O-N 3.48Å; E173-R175 VanDerWaalsContact O-N 3.07Å; E173-R175 WeakPolarHBondContact OE1-CG 3.47Å; E173-R175 IonicContact OE1-CZ 3.6Å; E173-R175 IonicContact OE1-NE 3Å; E173-R175 PolarHBondContact OE1-NE 2.91Å; E173-R175 IonicContact OE1-NH2 2.71Å
174D73.6Confident64.5Low46 Ų46109.9 Ų109.925%0.24652%0.522CS..  trans-83.879.9174.5-172.510.3000109.6R104 I106 I172 P176R104-D174 HydrophobicContact CB-CB 4.32Å; R104-D174 HydrophobicContact CG-CB 4.3Å; R104-D174 IonicContact CZ-OD2 3.94Å; R104-D174 IonicContact NE-OD2 2.73Å; R104-D174 PolarHBondContact NE-OD2 2.83Å; R104-D174 IonicContact NH2-OD2 3.23Å; R104-D174 PolarHBondContact NH2-OD2 3.25Å; R104-D174 PolarHBondContact O-N 2.75Å; I106-D174 HydrophobicContact CD1-CB 3.71Å; I106-D174 HydrophobicContact CG1-CB 3.91Å; I172-D174 PolarHBondContact O-N 3.32Å; I172-D174 VanDerWaalsContact O-N 3.16Å; D174-P176 WeakPolarHBondContact O-CD 3.34Å; D174-P176 VanDerWaalsContact O-N 3.11Å
175R58.6Low62.8Low171 Ų171114 Ų11465%0.64555%0.551SS**  trans-60.1109.9174.9-83.9-174.6169.4-171.6-6.4110.8E173 G177E173-R175 VanDerWaalsContact C-N 3.34Å; E173-R175 HydrophobicContact CG-CG 4.13Å; E173-R175 PolarHBondContact O-N 3.48Å; E173-R175 VanDerWaalsContact O-N 3.07Å; E173-R175 WeakPolarHBondContact OE1-CG 3.47Å; E173-R175 IonicContact OE1-CZ 3.6Å; E173-R175 IonicContact OE1-NE 3Å; E173-R175 PolarHBondContact OE1-NE 2.91Å; E173-R175 IonicContact OE1-NH2 2.71Å; R175-G177 PolarHBondContact O-N 2.87Å
176P52.9Low61.6Low66 Ų66117 Ų11743%0.42956%0.556SS.*THydrogen-bonded Turntrans-68-14-178.827.4-32.7000113.1D102 D174 A178D102-P176 HydrophobicContact CB-CG 3.75Å; D102-P176 VanDerWaalsContact OD1-CG 3.32Å; D102-P176 WeakPolarHBondContact OD1-CG 3.38Å; D174-P176 WeakPolarHBondContact O-CD 3.34Å; D174-P176 VanDerWaalsContact O-N 3.11Å; P176-A178 PolarHBondContact O-N 2.82Å
177G48.2Very low59.7Low69 Ų69118.5 Ų118.571%0.71156%0.555SS**THydrogen-bonded Turntrans-69.3-24.4-177.700000116.1R175R175-G177 PolarHBondContact O-N 2.87Å
178A49.8Very low58Low85 Ų85123.8 Ų123.870%0.70258%0.575SS**THydrogen-bonded Turntrans-86.5-22.1-167.900000115.5P176P176-A178 PolarHBondContact O-N 2.82Å
179R48.6Very low55.7Low230 Ų230122.8 Ų122.887%0.86858%0.583SS**THydrogen-bonded Turntrans-127.22.5-166.4-64.5-173.3179.5-179.91.8116.3
180R49.3Very low53.6Low224 Ų224134 Ų13485%0.84563%0.625SS**  trans-131.944.2175.7-69.9-167.4-174.3177.25.5115.7
181R43.3Very low51.4Low236 Ų236130.9 Ų130.989%0.89163%0.628SS**  trans-110.955.5139.9-73.3-164-179.4-156.23.4111S183R181-S183 PolarHBondContact O-N 2.92Å
182R40.3Very low49.4Very low242 Ų242141.9 Ų141.991%0.91367%0.669SS**  trans-70.788.4155-165.2173.6-159.2164.57.1106.4Y184R182-Y184 PolarHBondContact O-N 3.48Å
183S39.1Very low47.1Very low92 Ų92143.8 Ų143.864%0.64369%0.688SS**  trans-51.3106.4-177.6-58.30000109.7R181 S185R181-S183 PolarHBondContact O-N 2.92Å; S183-S185 PolarHBondContact O-N 2.85Å; S183-S185 PolarHBondContact O-OG 3.23Å
184Y43Very low45.2Very low174 Ų174152.9 Ų152.968%0.68272%0.72SS**  trans-73.169.8161.9176.6-106.7000107.2R182 R186R182-Y184 PolarHBondContact O-N 3.48Å; Y184-R186 HydrophobicContact CD1-CB 3.83Å; Y184-R186 HydrophobicContact CD2-CB 4.02Å; Y184-R186 HydrophobicContact CE1-CB 3.38Å; Y184-R186 HydrophobicContact CE1-CG 4.08Å; Y184-R186 HydrophobicContact CE2-CB 3.59Å; Y184-R186 HydrophobicContact CE2-CG 4.04Å; Y184-R186 HydrophobicContact CG-CB 4.14Å; Y184-R186 PolarHBondContact O-N 2.75Å; Y184-R186 WeakPolarHBondContact OH-CD 3.23Å; Y184-R186 WeakPolarHBondContact OH-CG 3.46Å; Y184-R186 PolarHBondContact OH-NH1 3.37Å
185S41.5Very low43.4Very low97 Ų97156 Ų15668%0.67875%0.745SS**  trans-72.454.6167.641.80000109.7S183 S187S183-S185 PolarHBondContact O-N 2.85Å; S183-S185 PolarHBondContact O-OG 3.23Å; S185-S187 PolarHBondContact O-N 2.98Å; S185-S187 PolarHBondContact O-OG 2.85Å
186R42.4Very low42.4Very low152 Ų152159.9 Ų159.957%0.57476%0.76SS**  trans-75.572.6160.8-166.1101.9170.9-118.220.8106.5Y184 R188Y184-R186 HydrophobicContact CD1-CB 3.83Å; Y184-R186 HydrophobicContact CD2-CB 4.02Å; Y184-R186 HydrophobicContact CE1-CB 3.38Å; Y184-R186 HydrophobicContact CE1-CG 4.08Å; Y184-R186 HydrophobicContact CE2-CB 3.59Å; Y184-R186 HydrophobicContact CE2-CG 4.04Å; Y184-R186 HydrophobicContact CG-CB 4.14Å; Y184-R186 PolarHBondContact O-N 2.75Å; Y184-R186 WeakPolarHBondContact OH-CD 3.23Å; Y184-R186 WeakPolarHBondContact OH-CG 3.46Å; Y184-R186 PolarHBondContact OH-NH1 3.37Å; R186-R188 PolarHBondContact O-N 2.96Å
187S36.3Very low41.6Very low100 Ų100168.8 Ų168.870%0.69979%0.785SS**  trans-63.972.2170.734.60000109.6S185 S189S185-S187 PolarHBondContact O-N 2.98Å; S185-S187 PolarHBondContact O-OG 2.85Å; S187-S189 PolarHBondContact O-N 3.32Å
188R42.3Very low40.9Very low197 Ų197170.2 Ų170.274%0.74379%0.785SS**  trans-82.361.6176-151.9175.4-162.7175.64.4108.2R186 R190R186-R188 PolarHBondContact O-N 2.96Å; R188-R190 VanDerWaalsContact C-N 3.31Å; R188-R190 PolarHBondContact O-N 2.94Å
189S36.8Very low40.3Very low95 Ų95174 Ų17466%0.66479%0.787SS**  trans-64.286.3-176.9-55.20000110.4S187 S191S187-S189 PolarHBondContact O-N 3.32Å; S189-S191 PolarHBondContact O-N 3.09Å
190R43.3Very low39.5Very low235 Ų235171.6 Ų171.689%0.88778%0.783SS**  trans-80.157.4179-129.1-178.7-173.3171.60.1110.5R188 R192R188-R190 VanDerWaalsContact C-N 3.31Å; R188-R190 PolarHBondContact O-N 2.94Å; R190-R192 PolarHBondContact O-N 3.2Å
191S37.2Very low38.7Very low94 Ų94166.4 Ų166.466%0.65778%0.781SS**  trans-84.986.1177.8-55.70000110.2S189 S193S189-S191 PolarHBondContact O-N 3.09Å; S191-S193 VanDerWaalsContact C-N 3.26Å; S191-S193 PolarHBondContact O-N 2.73Å
192R43.5Very low38.3Very low242 Ų242165.6 Ų165.691%0.91378%0.778SS**  trans-73.679.6169.1-88.4-177.9166.8160.2-6110R190R190-R192 PolarHBondContact O-N 3.2Å
193S36.2Very low37.8Very low112 Ų112159 Ų15978%0.78377%0.769SS**  trans-101.6100.4171.3-57.90000110S191 S195S191-S193 VanDerWaalsContact C-N 3.26Å; S191-S193 PolarHBondContact O-N 2.73Å; S193-S195 PolarHBondContact O-N 2.61Å
194R43.6Very low37.6Very low251 Ų251166.6 Ų166.695%0.94778%0.784SS**  trans-72.3112.4170.7-71.3171.7169149.2-8.6109.3
195S35.7Very low37.1Very low111 Ų111163.6 Ų163.678%0.77679%0.788SS**  trans161.9117.9137.255.80000112.1S193S193-S195 PolarHBondContact O-N 2.61Å
196R36.3Very low36.7Very low254 Ų254166 Ų16696%0.95879%0.794SS**  trans-144.7102.5148.1-72-163.5177.9176.6-1.1108.2
197R37.5Very low36.2Very low252 Ų252164.3 Ų164.395%0.95181%0.805SS**  trans-88.2129.6161.9-75.4-176.3171.7-162.3-1.7107.2
198S33.3Very low35.8Very low100 Ų100164.2 Ų164.270%0.69980%0.804SS**  trans-144108.7164.7-162.40000110.2
199H36.1Very low35.2Very low164 Ų164159.4 Ų159.476%0.75980%0.801SS**  trans-28.6164.1153.430.8-103.3000116.3
200K33Very low35Very low180 Ų180166.1 Ų166.178%0.78381%0.811SS**  cis177.4129.2-5.2158.497.6169.1-171.40109.2
201S33Very low34.5Very low114 Ų114160 Ų16080%0.79780%0.804SS**  trans-170.8120.9153.1420000108.9
202R33.3Very low34.3Very low219 Ų219167.4 Ų167.483%0.82682%0.818SS**  84.779.367.7-91.5-174.4168.2148.2-4.8115.3
203S31.1Very low33.6Very low104 Ų104161 Ų16173%0.72781%0.81SS**  45.9120.2129.259.20000122.2
204R33.7Very low33.3Very low251 Ų251163.6 Ų163.695%0.94781%0.81SS**  trans171.8138.9147.5-96158.8-176.8-177.60.9107.3
205S33.7Very low32.8Very low111 Ų111156.2 Ų156.278%0.77680%0.797SS**  cis-152166.8-3.5-64.60000109.9
206D31.6Very low32.6Very low149 Ų149161.3 Ų161.380%0.79780%0.799SS**  trans-77.4146.4169-177.9-84.4000112.2
207S32.6Very low32.3Very low116 Ų116154 Ų15481%0.81179%0.793SS**  trans-160.2110.8148.249.80000114.9
208S27.5Very low31.8Very low97 Ų97146.5 Ų146.568%0.67879%0.785SS**  trans-39.6146.9165.7-176.60000119.8
209S31.1Very low31.6Very low96 Ų96147.6 Ų147.667%0.67179%0.792SS**  trans71.9142.9154.485.70000117.6
210R33Very low31.3Very low236 Ų236150.6 Ų150.689%0.89180%0.797SS**  -171.7161.351-128.3159.8-178.1161.8-1110.2
211S31.4Very low31.2Very low106 Ų106146.7 Ų146.774%0.74179%0.792SS**  trans-75.3151.2175.148.30000114
212R32.4Very low30.9Very low251 Ų251152.4 Ų152.495%0.94780%0.796SS**  trans-175.6154.4134.5-102.1157.2-176.1168.50.4113.9
213S30Very low30.9Very low107 Ų107147 Ų14775%0.74879%0.792SS**  trans-108.6161.2-167.8-22.50000112.3
214H28.8Very low30.8Very low166 Ų166154.1 Ų154.177%0.76980%0.803SS**  trans66.2156163.1-87.2-26.3000117.1
215S33.9Very low30.7Very low97 Ų97147.2 Ų147.268%0.67879%0.794SS**  cis-161.3145.20.337.80000114
216R32Very low30.7Very low217 Ų217151.7 Ų151.782%0.81980%0.799SS**  trans24.1133.9137.6-60.2177.3175.1150.70.6121.8
217A28.9Very low30.7Very low102 Ų102153.6 Ų153.684%0.84380%0.8SS**  -156.5157.5129.800000108.1
218A27.3Very low30.5Very low93 Ų93154.3 Ų154.377%0.76980%0.795SS**  cis-154.8140-30.600000106.1
219S29.8Very low30.6Very low123 Ų123158.3 Ų158.386%0.8680%0.8SS**  175.1159.6100.147.30000109.7
220R28.6Very low30.6Very low228 Ų228158.7 Ų158.786%0.8680%0.802SS**  trans-133.3125.2-173.8-104.8179.1171.3155.3-7.1112.7
221S31.2Very low30.5Very low98 Ų98156.7 Ų156.769%0.68580%0.8SS**  trans53.6133.5140.764.80000122
222R28.1Very low30.5Very low233 Ų233160.1 Ų160.188%0.87980%0.802SS**  -170117.6109.9-101.3160.4-179.7160.6-0.9114.6
223S31.8Very low30.4Very low106 Ų106154.1 Ų154.174%0.74179%0.789SS**  trans5138.4151.5570000123.1
224R28.6Very low30.4Very low254 Ų254156.6 Ų156.696%0.95879%0.789SS**  -164.4165.6125.8-106.9166-171.9174.93112
225S33.3Very low30.5Very low106 Ų106156.7 Ų156.774%0.74179%0.789SS**  trans-128.8153.2-165.553.60000113.9
226K32.6Very low30.2Very low205 Ų205158.3 Ų158.389%0.89179%0.786SS**  trans170.8145.2134.2-94167.7-175.1-177.80113.3
227K31.7Very low30.2Very low188 Ų188159.6 Ų159.682%0.81779%0.791SS**  trans8.6147.1154-78.5-178.8171.4176.20119.5
228N28.7Very low30.2Very low132 Ų132160.9 Ų160.971%0.70678%0.784SS**  cis-169.9152.426.9-130.9-2.8000114.6
229K29.7Very low30.5Very low181 Ų181160 Ų16079%0.78778%0.783SS**  trans75.3119.2140.7-141-179.8-173.5178.90123.4
230S30.2Very low30.7Very low103 Ų103159.3 Ų159.372%0.7279%0.785SS**  trans59.6148.2149.548.90000120.2
231K31Very low30.8Very low194 Ų194153.2 Ų153.284%0.84378%0.783SS**  cis-147130.4-4.1-105.5168.2176.9-174.10104.6
232K32.2Very low30.8Very low178 Ų178157.5 Ų157.577%0.77479%0.79SS**  55.514397.7-134.9-161.4176.7-151.50116.1
233D30Very low31Very low126 Ų126152.4 Ų152.467%0.67478%0.78SS**  trans88.6137.1172.9-41.5-26.6000113.9
234E30.6Very low31Very low159 Ų159154.2 Ų154.274%0.74378%0.781SS**  cis-156.4174.6-22.6-126.9176.9-179.100108.2
235E29.9Very low31Very low167 Ų167149 Ų14978%0.7877%0.768SS**  trans30.3149.3151.9-67.1-165.4147.700122.6
236E28.8Very low30.8Very low132 Ų132154.4 Ų154.462%0.61777%0.772SS**  cis-166.9147.51.8-119.8-122.9131.400106.5N238E236-N238 PolarHBondContact OE2-ND2 3.05Å
237R31Very low31Very low244 Ų244149 Ų14992%0.92176%0.76SS**  trans-157.187.5148.9-133.3174.7-171.7-142.9-0.5115.4
238N30Very low30.9Very low129 Ų129147.8 Ų147.869%0.6976%0.762SS**  36.4115.4124.2-73.6-84.3000119.1E236E236-N238 PolarHBondContact OE2-ND2 3.05Å
239G32.3Very low31.2Very low73 Ų73146 Ų14675%0.75376%0.759SS**  trans175.471.5167.400000111.2
240A33.8Very low31.3Very low110 Ų110148.8 Ų148.891%0.90977%0.765SS**  66.497.295.800000113.1
241A31.6Very low31.3Very low99 Ų99149.3 Ų149.382%0.81877%0.769SS**  trans-95.6157.7-175.200000113.2
242K31.8Very low32.1Very low189 Ų189145.6 Ų145.682%0.82276%0.764SS**  trans165.7144.1160.2-97.8-173.9176.3-159.40108
243D30.6Very low32Very low125 Ų125148 Ų14867%0.66877%0.769SS**  cis-146.7179.96.8-86.7-55.9000110.4
244D32Very low32.1Very low145 Ų145146.8 Ų146.878%0.77577%0.77SS**  trans78101.9157.2-72.3-61000124.2
245E28.9Very low32.1Very low145 Ų145148.1 Ų148.168%0.67877%0.773SS**  25.1128.4112.6-69.4-94.3120.300117.6
246R30.3Very low32.1Very low218 Ų218149.5 Ų149.582%0.82378%0.776SS**  177.5169.452.5-113.8168.7-168.5-155.42.6108.2
247S35.3Very low32.2Very low92 Ų92148.1 Ų148.164%0.64378%0.781SS**  cis-167.6178.55.945.60000111.2
248L29.9Very low32.3Very low163 Ų163145.7 Ų145.785%0.85378%0.778SS**  trans92.3133.1164.2-51.9171.7000117.6
249S34.5Very low32.3Very low93 Ų93147.7 Ų147.765%0.6578%0.78SS**  cis-164.3156.7-20.768.70000112.4
250R31.7Very low32.2Very low241 Ų241150.3 Ų150.391%0.90978%0.777SS**  trans68.2105.5154.7-68.7173.5174.5178.6-1.6121.8
251S30.8Very low31.9Very low114 Ų114148.4 Ų148.480%0.79777%0.768SS**  trans-26.2161.5141.3-660000117.5
252P47.3Very low31.9Very low116 Ų116153.2 Ų153.275%0.75377%0.771SS**  cis-156.7166.644.143.6-21.8000123.4
253R31.5Very low31.8Very low229 Ų229149.8 Ų149.886%0.86477%0.771SS**  trans80.8114.9137.4-96.1-178.4161.1-152.1-1.3124.1
254S30.6Very low31.8Very low100 Ų100148.3 Ų148.370%0.69978%0.776SS**  trans71.2148.7133.178.80000118.8
255K32.2Very low31.9Very low187 Ų187151.2 Ų151.281%0.81378%0.781SS**  cis-150.91530.3-107.6148.8-178-177.10106.9
256K28.6Very low32.1Very low195 Ų195154.2 Ų154.285%0.84879%0.792SS**  39.7130.4105.3-123177.1178.4173.70114.2
257S31.4Very low32.1Very low103 Ų103150.4 Ų150.472%0.7279%0.788SS**  cis-168.3166.835.4-41.70000114.2
258K32.4Very low31.9Very low194 Ų194152.1 Ų152.184%0.84379%0.786SS**  trans-8153.2148.9-77179170.31790121.7
259K31.3Very low32Very low171 Ų171149.1 Ų149.174%0.74378%0.779SS**  trans101.8132.7131.9-99.9-177.5162.6-94.80120.2
260D28.6Very low31.9Very low127 Ų127153.5 Ų153.568%0.67978%0.781SS**  trans47.7127.3143.3-50.7-25.4000121.9
261G28.8Very low32.1Very low71 Ų71146.7 Ų146.773%0.73277%0.77SS**  12796.9117.700000119.9
262K31.1Very low32.2Very low200 Ų200151.5 Ų151.587%0.8777%0.771SS**  79.9142.8122.2-147.1178.4-167.2179.50119.9
263S30.4Very low31.7Very low117 Ų117150.7 Ų150.782%0.81877%0.768SS**  trans72.315816483.30000116.2
264A30.7Very low31.8Very low94 Ų94150.2 Ų150.278%0.77777%0.766SS**  cis-142.61774.900000112.6
265K33.9Very low32.2Very low206 Ų206150.9 Ų150.990%0.89677%0.771SS**  trans-59.5152.6175.6-60.1171.4177.9179.20111.6
266K32.4Very low32.2Very low208 Ų208145.7 Ų145.790%0.90476%0.763SS**  trans-115.3124169.7-163.5176.2-172.3179.30109.2
267D31.3Very low32.6Very low138 Ų138141.4 Ų141.474%0.73876%0.757SS**  trans-101.8-180-176.3-137.6-63.6000112.4
268E30Very low32.8Very low127 Ų127147.2 Ų147.259%0.59376%0.763SS**  trans-41.8150.9-176.7-74.8-170.567.100115R270E268-R270 IonicContact OE1-CZ 3.57Å; E268-R270 IonicContact OE1-NE 2.68Å; E268-R270 PolarHBondContact OE1-NE 2.77Å; E268-R270 IonicContact OE1-NH2 3.72Å; E268-R270 PolarHBondContact OE1-NH2 2.99Å; E268-R270 IonicContact OE2-NH2 2.99Å
269S33.5Very low33Very low101 Ų101142.3 Ų142.371%0.70675%0.754SS**  -175143.464.457.80000115.5
270R31.3Very low33.2Very low185 Ų185145.5 Ų145.570%0.69876%0.761SS**  36.3132.1124.8-52.1170.5-171176.92.1117.7E268E268-R270 IonicContact OE1-CZ 3.57Å; E268-R270 IonicContact OE1-NE 2.68Å; E268-R270 PolarHBondContact OE1-NE 2.77Å; E268-R270 IonicContact OE1-NH2 3.72Å; E268-R270 PolarHBondContact OE1-NH2 2.99Å; E268-R270 IonicContact OE2-NH2 2.99Å
271S35.8Very low33.6Very low97 Ų97143.5 Ų143.568%0.67876%0.757SS**  -170.7134.868.3-69.40000115.6
272R33.5Very low33.8Very low216 Ų216151.3 Ų151.382%0.81576%0.764SS**  52.6111.8123.4-59.8174.3170.4164.5-3.6119.6
273S36.1Very low34.1Very low98 Ų98145.9 Ų145.969%0.68575%0.752SS**  108.5160.18476.10000111.8
274R35Very low34.3Very low220 Ų220151.5 Ų151.583%0.8376%0.755SS**  cis-169148.418.9-143.1163.3-165.7176.41.9112
275S37.6Very low34.6Very low114 Ų114151.2 Ų151.280%0.79775%0.747SS**  trans64.4157.5145.6620000120.6
276A33.7Very low34.5Very low78 Ų78152.6 Ų152.665%0.64575%0.747SS**  cis-156.7149.21400000116
277S36.9Very low34.6Very low105 Ų105147.1 Ų147.173%0.73474%0.735SS**  trans63.6154.6138.969.60000121.4
278R34.1Very low34.6Very low224 Ų224151.8 Ų151.885%0.84574%0.742SS**  cis-161.5131.68.6-129159.7-1701751.8112.4
279S37.5Very low35Very low92 Ų92151.2 Ų151.264%0.64375%0.752SS**  trans43.8127132.475.20000122.1
280R34.6Very low34.9Very low237 Ų237149.8 Ų149.889%0.89475%0.753SS**  169.8171.681.8-90.2174.4178.8165-1.4109.3
281S36.8Very low35Very low85 Ų85146.8 Ų146.859%0.59476%0.76SS**  cis-179.5145.5-44.759.60000112.6
282R34.7Very low35.1Very low236 Ų236151.7 Ų151.789%0.89177%0.769SS**  trans74.5151.3158.1-69.9170.5178.8171.5-1.5118.4
283S37Very low35.1Very low86 Ų86149.5 Ų149.560%0.60177%0.774SS**  cis-176155.2-7.348.40000115
284R34.8Very low35.4Very low235 Ų235156 Ų15689%0.88778%0.783SS**  trans66.1154.4143.7-75.1167.4178.9175.1-3.2119
285S35.4Very low36.4Very low88 Ų88151.2 Ų151.262%0.61578%0.781SS**  cis-179.6171.5-15.553.80000111.1
286R32.2Very low36.3Very low235 Ų235157.6 Ų157.689%0.88779%0.787SS**  trans93.7152.4164.7-58.6169.9179.4177.8-1.8116.6
287S34.2Very low36.4Very low93 Ų93163.7 Ų163.765%0.6580%0.799SS**  170.3161.5-50.949.60000109.8
288R32.6Very low36.3Very low236 Ų236164.3 Ų164.389%0.89180%0.804SS**  trans86.8157.2172.6-60.3177.3173.1179-4.4116.3
289S37.2Very low36.2Very low115 Ų115157 Ų15780%0.80480%0.797SS**  cis169.2136.9-48.451.10000109.6
290G31.9Very low36.3Very low70 Ų70157.4 Ų157.472%0.72280%0.801SS**  trans133.3114.2174.200000110.3
291S33.8Very low36.3Very low122 Ų122154 Ų15485%0.85379%0.794SS**  cis98.7107.345.4-73.30000112.2
292K38.4Very low36.2Very low201 Ų201156.7 Ų156.787%0.87480%0.802SS**  trans25.1131.9151.8-64.2174.9175.7176.70119.4
293D33.3Very low36.1Very low169 Ų169149.2 Ų149.290%0.90480%0.799SS**  -156.3169.7111.9-124.8-47.1000115.3
294R41.4Very low36.3Very low235 Ų235154.4 Ų154.489%0.88781%0.814SS**  trans-102.1167.3-172.2-104.9-175.6168-161.6-1.9113.8
295P55.4Low37.2Very low119 Ų119148 Ų14877%0.77380%0.803SS**  trans-93.6153.5-17636.6-35.1000115.7
296R36.4Very low37.9Very low248 Ų248149.9 Ų149.994%0.93681%0.813SS**  trans-149.9135.1163.2-64.7-175.6169.5-157.5-3.2106.4
297K35.5Very low38.5Very low207 Ų207148 Ų14890%0.981%0.811SS**  cis9095.935.3-165.1-171177.9-176.60115.8
298S35.5Very low39.1Very low118 Ų118149.3 Ų149.383%0.82582%0.82SS**  trans175.9128.5146.947.20000106.3
299G31.6Very low39.5Very low69 Ų69145.1 Ų145.171%0.71182%0.816SS**  101.9133.555.600000108.1
300S38.8Very low39.6Very low102 Ų102144.2 Ų144.271%0.71382%0.815SS**  cis-164.2161.16.9-61.60000110.7
301Q35.9Very low39.7Very low164 Ų164149.7 Ų149.777%0.76682%0.821SS**  trans61152.1140.6-78.1-178.6-92.600120.8
302D34.9Very low39.9Very low142 Ų142147.8 Ų147.876%0.75981%0.813SS**  cis-146.9168.74-86.6-47.9000110.1
303G31.6Very low39.9Very low80 Ų80143.1 Ų143.183%0.82581%0.812SS**  trans133.769.5154.200000118.8
304E41.8Very low40Very low195 Ų195142.5 Ų142.591%0.91181%0.809SS**PPolyproline II helixtrans-97.5168.4161.1-106-153.5101.300111.7
305P53.5Low39.8Very low100 Ų100134.9 Ų134.965%0.64980%0.796SS**PPolyproline II helixtrans-96.4164.4-146.137.9-39000115.5
306P50.3Low38.8Very low128 Ų128138 Ų13883%0.83180%0.801SS**PPolyproline II helixtrans-85.4123.8166.332.8-30.2000112.1
307K45.2Very low38.9Very low196 Ų196137.2 Ų137.285%0.85280%0.797SS**PPolyproline II helixtrans-90.8156.4142-74.1-179.5175-179.30108.3
308S46.2Very low39.6Very low120 Ų120132 Ų13284%0.83979%0.785SS**  trans-144.7127166.355.20000110
309D41.4Very low39.7Very low148 Ų148131.2 Ų131.279%0.79178%0.78SS**  trans-101.6159.5177.8-69-86.1000111.6
310A38.8Very low39.9Very low95 Ų95139 Ų13979%0.78579%0.787SS**  trans67.1154.7162.100000118.1
311E34.5Very low40Very low185 Ų185139.2 Ų139.286%0.86479%0.789SS**  cis-156.9159.79.5-147.4-172.3120.200113.9
312A36.4Very low40.8Very low83 Ų83136.5 Ų136.569%0.68679%0.786SS**  trans75.6148.3144.800000125.3
313A38.7Very low40.9Very low103 Ų103139 Ų13985%0.85179%0.793SS**  trans73.1141.7163.900000119.8
314D35.7Very low41.4Very low156 Ų156143.5 Ų143.583%0.83479%0.792SS**  cis-164.7169.3-18.9-174.5-139.7000110.1
315A37.2Very low41.9Very low75 Ų75139.1 Ų139.162%0.6278%0.781SS**  trans71.8116.9154.800000123.4
316E34.1Very low41.1Very low184 Ų184145.2 Ų145.286%0.8679%0.791SS**  trans70.699.9134.2-58.7-139.4119.900124.2
317R39.9Very low40.6Very low231 Ų231143 Ų14387%0.87278%0.783SS**  -66.4157.6123.7-99.7176157-129.9-0.8109.3
318P49.1Very low40.1Very low97 Ų97144.8 Ų144.863%0.6379%0.785SS**  cis-156.515647.941.1-19.4000120.5
319S37.9Very low39.9Very low103 Ų103143 Ų14372%0.7277%0.773SS**  trans67.5149.9135.574.40000124.1
320R35.1Very low39.8Very low231 Ų231145.4 Ų145.487%0.87278%0.776SS**  trans101.9106.4133.7-155.4164.3-168.6-142.42.2119.1
321S42.9Very low39.9Very low108 Ų108145.9 Ų145.976%0.75577%0.773SS**  trans-63.3151.2151.8-32.90000110.2
322P51.9Low40.2Very low106 Ų106146.9 Ų146.969%0.68878%0.775SS**  -154.3171.977.640.5-20.8000118
323E36.7Very low40.2Very low195 Ų195147.8 Ų147.891%0.91178%0.776SS**  trans62.3151.7149.8-77-178.6106.100124.5
324E41.4Very low40.2Very low175 Ų175154.8 Ų154.882%0.81878%0.781SS**  trans-75.4174.8178.4-114.3-160.3102.500112.6
325P53.3Low40.4Very low102 Ų102152.7 Ų152.766%0.66278%0.778SS**  cis-156.8177.74542.9-20.7000120.6
326R36.4Very low40.5Very low228 Ų228156 Ų15686%0.8679%0.79SS**  trans73.1149.3148.8-85.5169.2172.1-115.3-0.7118.8
327A39.2Very low40.9Very low82 Ų82152.4 Ų152.468%0.67879%0.785SS**  cis-161.7167.72.500000114.8
328R36.5Very low42.1Very low233 Ų233147.3 Ų147.388%0.87978%0.782SS**  trans76.8142.3151.7-114.6177.3172.6-129.97.2117.4
329S40.5Very low41.5Very low84 Ų84147 Ų14759%0.58779%0.788SS**  cis-155.2147.322.2-550000114.9
330K40.6Very low41.5Very low198 Ų198152 Ų15286%0.86180%0.797SS**  trans54.1147.4149.7-74.4179.1174.41780119.3
331S39.6Very low41.7Very low104 Ų104146 Ų14673%0.72780%0.796SS**  cis-173.9146.4-14.2460000105.6
332K40.5Very low41.4Very low207 Ų207144.4 Ų144.490%0.980%0.797SS**  -173.5152.871.5-166.9167.2-176.1174.80109.9
333S37.2Very low40.9Very low102 Ų102144.9 Ų144.971%0.71380%0.803SS**  trans-94.4152.5-167.448.50000115.2
334R39.3Very low41.1Very low250 Ų250147 Ų14794%0.94380%0.803SS**  -168.8137.5118-112.7176.1158.5-169.6-7.5112.9
335S38.9Very low41.1Very low111 Ų111143.4 Ų143.478%0.77680%0.797SS**  trans-142136-178.252.30000109.7
336V39.7Very low40.5Very low145 Ų145149.5 Ų149.588%0.87981%0.807SS**  trans-150.3137.8155.8-172.30000109.3
337S42.6Very low40.8Very low108 Ų108144 Ų14476%0.75580%0.804SS**  trans-141.8178166.5-54.10000106.7
338P65.8Low41Very low124 Ų124144.6 Ų144.681%0.80581%0.809SS**  cis-125.1-175-34.831.9-13.1000111.4
339A36.8Very low41.3Very low92 Ų92139.1 Ų139.176%0.7681%0.806SS**  trans157.1137.1131.900000117.1
340K37.9Very low41.4Very low206 Ų206146.3 Ų146.390%0.89682%0.82SS**  trans56.7150.6140-80.8-176.1173.2178.70124.7
341A38.1Very low41.4Very low105 Ų105140.8 Ų140.887%0.86881%0.806SS**  trans76.1147.8160.600000118.4
342G36.3Very low41.4Very low75 Ų75144.2 Ų144.277%0.77381%0.811SS**  cis138.770.4-9.600000116.5
343S42.8Very low41.4Very low117 Ų117139 Ų13982%0.81880%0.8SS**  trans-164.5133.5164.645.20000107.9
344R39.3Very low41.6Very low239 Ų239144.6 Ų144.690%0.90281%0.806SS**  cis69.8100.840.8-93.7-171.5169.7-167.8-2.7115.9
345S41.1Very low41.7Very low100 Ų100137.7 Ų137.770%0.69980%0.796SS**  112.2155.8119.177.70000120.3
346R41.7Very low42.2Very low229 Ų229142 Ų14286%0.86480%0.801SS**  trans87.4119169.7-57.7174.8174.4-172.8-4.8116.2
347S41.8Very low42.4Very low113 Ų113140.2 Ų140.279%0.7979%0.794SS**  cis94.4106.221.183.80000116.7
348A44.5Very low42.7Very low95 Ų95147 Ų14779%0.78580%0.804SS**  trans-162.6128.7149.900000107.2
349S42.6Very low41.8Very low117 Ų117146.4 Ų146.482%0.81880%0.802SS**  cis87.587.631.380.40000115.9
350R42.5Very low42.5Very low236 Ų236153.8 Ų153.889%0.89181%0.811SS**  trans-174.2104.6151.4-138.5164.2174.3-176-3.8108
351S40.2Very low42.9Very low81 Ų81149.3 Ų149.357%0.56681%0.805SS**  74126.26792.50000114.5
352E41Very low43.6Very low176 Ų176156 Ų15682%0.82281%0.808SS**  trans66.5146.1160.3-69.315895.800119
353S38.8Very low44.4Very low97 Ų97161.5 Ų161.568%0.67883%0.834SS**  cis-166.6174-10.553.10000111.3
354R42.1Very low44.5Very low221 Ų221163.7 Ų163.783%0.83484%0.835SS**  trans80.8103.3140.7-149.7170.4-168.5-163.83.5120.1
355S40.7Very low44.7Very low105 Ų105159.7 Ų159.773%0.73483%0.831SS**  trans59.1127.4132.4-46.90000119.1
356K49.6Very low44.9Very low201 Ų201163.1 Ų163.187%0.87484%0.839SS**  -166.9152.365.7-133.3163-173.71710112.4
357S44Very low45.1Very low107 Ų107159.2 Ų159.275%0.74884%0.837SS**  trans-72.9146.7170.345.20000112.7
358R49Very low45.3Very low252 Ų252162.1 Ų162.195%0.95184%0.84SS**  trans-172.3102.3131.1-107.6172.5178.5-172.8-1.6112.6
359S47.8Very low45.4Very low111 Ų111166.5 Ų166.578%0.77684%0.844SS**  trans-79.2134.1147.548.60000109
360R50.8Low45.6Very low247 Ų247170.1 Ų170.193%0.93285%0.846SS**  trans-177.5124.8132.8-107.1174.9173-174.5-2.3112.7
361S46.3Very low45.8Very low112 Ų112165 Ų16578%0.78384%0.842SS**  trans-82.3134.6157.740.80000110.5
362R52.7Low46.3Very low246 Ų246172 Ų17293%0.92887%0.865SS**  trans163.4132.4161.2-99.2176.2175.7-163.5-2.5105.7
363S53Low46.8Very low189 Ų189171.6 Ų171.6100%1.32287%0.869SS**  cis-138.608.5-60.50000110.8

Retrieved 363 of 363 residues in 294.4 ms (Link to these results)

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