MLF2_HUMAN Loading...

Myeloid leukemia factor 2

AlphaFold DB , UniProt , Accession Q15773, Species HUMAN (Homo sapiens, Human), Gene MLF2, Length 248 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.9Very low38.3Very low221 Ų221167.9 Ų167.9100%1.08979%0.792SS**  0118.60-132.8178.1-163.500107.7R3M1-R3 PolarHBondContact O-N 3.01Å
2F32.8Very low38.8Very low170 Ų170159.1 Ų159.175%0.74675%0.754SS**  trans-81.3115.5178-65.4-83.4000109.3
3R40.8Very low39.7Very low197 Ų197153.8 Ų153.874%0.74374%0.741SS**  trans-104.8100.8175.2-162.1178.3-170.3160.50.9108.9M1 M5M1-R3 PolarHBondContact O-N 3.01Å; R3-M5 HydrophobicContact CG-CG 4.19Å; R3-M5 PolarHBondContact O-N 2.93Å
4F37.9Very low40.2Very low164 Ų164145.2 Ų145.272%0.71970%0.7SS**  trans-73.3101168.9-83.9-90.4000108.8
5M42.5Very low40.8Very low135 Ų135139.4 Ų139.467%0.66567%0.67SS**  trans-96.487.9165.7-73.6178102.700108.3R3 D7R3-M5 HydrophobicContact CG-CG 4.19Å; R3-M5 PolarHBondContact O-N 2.93Å; M5-D7 VanDerWaalsContact C-N 3.31Å; M5-D7 PolarHBondContact O-N 3.17Å
6R33.9Very low41.3Very low238 Ų238138 Ų13890%0.89867%0.667SS**  trans-69.497.1151.1-117.5-179.4167.8160-3.3105
7D40.6Very low42.2Very low153 Ų153136.7 Ų136.782%0.81866%0.661SS**SBendtrans-177.8133.7141.9-86.5-38.9000108.4M5 E9M5-D7 VanDerWaalsContact C-N 3.31Å; M5-D7 PolarHBondContact O-N 3.17Å; D7-E9 PolarHBondContact O-N 3.07Å
8V35Very low43.3Very low142 Ų142131.4 Ų131.486%0.86164%0.636SS**  trans-69.395-177.8173.20000108.1
9E36.5Very low44.1Very low170 Ų170125.2 Ų125.279%0.79461%0.607SS**  trans-97123150.8-93.2-145127.600109D7D7-E9 PolarHBondContact O-N 3.07Å
10P43.4Very low45.3Very low98 Ų98119.1 Ų119.164%0.63658%0.578SS**SBendtrans-66.9147.316232.6-29.6000107.2
11E42.4Very low46.5Very low159 Ų159114.7 Ų114.774%0.74356%0.561SS**  trans9049.5169.7-43.3-165.4171.100118.2P13 L16E11-P13 WeakPolarHBondContact O-CD 3.47Å; E11-L16 HydrophobicContact CB-CD1 3.97Å; E11-L16 HydrophobicContact CG-CD1 4.09Å
12D43.9Very low47.9Very low62 Ų62106.1 Ų106.133%0.33252%0.519SS..  trans-73.7122.4160.7-94.9-70.3000111.9M14 F15 L16 R166D12-M14 PolarHBondContact O-N 2.73Å; D12-F15 HydrophobicContact CB-CD2 4.18Å; D12-F15 PolarHBondContact O-N 3.17Å; D12-L16 PolarHBondContact O-N 3.36Å; D12-R166 IonicContact OD1-CZ 2.77Å; D12-R166 IonicContact OD1-NH1 2.68Å; D12-R166 PolarHBondContact OD1-NH1 2.82Å; D12-R166 IonicContact OD2-CZ 3.17Å; D12-R166 IonicContact OD2-NH1 3.37Å; D12-R166 PolarHBondContact OD2-NH1 2.74Å; D12-R166 IonicContact OD2-NH2 3.46Å; D12-R166 PolarHBondContact OD2-NH2 2.74Å
13P51.1Low49.5Very low91 Ų9198.4 Ų98.459%0.59149%0.485SS*.Hα-helixtrans-61.2-25.7-17121.6-32.3000113.7E11 M17E11-P13 WeakPolarHBondContact O-CD 3.47Å; P13-M17 PolarHBondContact O-N 2.94Å
14M45.7Very low50.8Low33 Ų3396 Ų9616%0.16348%0.476CS..Hα-helixtrans-69.4-31.4175.4-66.3-141.9-55.100113.3D12 M151 I153 L164 R166D12-M14 PolarHBondContact O-N 2.73Å; M14-M151 HydrophobicContact CB-CE 4.28Å; M14-M151 VanDerWaalsContact O-SD 3.36Å; M14-M151 HydrophobicContact SD-CE 4.38Å; M14-I153 HydrophobicContact SD-CD1 3.84Å; M14-L164 HydrophobicContact CE-CD2 3.73Å; M14-L164 HydrophobicContact CE-CG 4.1Å; M14-L164 HydrophobicContact SD-CD2 3.61Å; M14-L164 HydrophobicContact SD-CG 4.43Å; M14-R166 HydrophobicContact CE-CB 3.72Å
15F49.9Very low52.3Low58 Ų5893.5 Ų93.525%0.25447%0.467SS..Hα-helixtrans-95.8-18.4175.3-66.1-70.8000112.8D12 M17 R166D12-F15 HydrophobicContact CB-CD2 4.18Å; D12-F15 PolarHBondContact O-N 3.17Å; F15-M17 VanDerWaalsContact C-N 3.33Å; F15-R166 HydrophobicContact CE2-CB 4.45Å; F15-R166 HydrophobicContact CE2-CG 3.8Å; F15-R166 HydrophobicContact CZ-CB 4.31Å; F15-R166 HydrophobicContact CZ-CG 3.94Å
16L48.8Very low53.4Low117 Ų11790.5 Ų90.561%0.61345%0.451SS*.Hα-helixtrans-68.2-35.6173-156.7101.1000111.4E11 D12 D18E11-L16 HydrophobicContact CB-CD1 3.97Å; E11-L16 HydrophobicContact CG-CD1 4.09Å; D12-L16 PolarHBondContact O-N 3.36Å; L16-D18 PolarHBondContact O-N 2.61Å
17M55.5Low54.9Low116 Ų11682.4 Ų82.457%0.57142%0.424SS*.SBendtrans-68113.1164.2-81.5-100.190.100108.3P13 F15 P19P13-M17 PolarHBondContact O-N 2.94Å; F15-M17 VanDerWaalsContact C-N 3.33Å; M17-P19 WeakPolarHBondContact O-CD 3.34Å
18D63.1Low56.1Low41 Ų4178.6 Ų78.622%0.21941%0.41CS..  trans-56.4111.6167.6164.141.4000108.3L16 F20 A21 R24L16-D18 PolarHBondContact O-N 2.61Å; D18-F20 PolarHBondContact O-N 3.03Å; D18-F20 VanDerWaalsContact O-N 3.08Å; D18-F20 PolarHBondContact OD1-N 3.36Å; D18-F20 VanDerWaalsContact OD1-N 3.14Å; D18-A21 HydrophobicContact CB-CB 4Å; D18-A21 WeakPolarHBondContact O-CB 3.38Å; D18-A21 PolarHBondContact O-N 3.03Å; D18-A21 WeakPolarHBondContact OD2-CA 3.49Å; D18-A21 WeakPolarHBondContact OD2-CB 3.16Å; D18-A21 PolarHBondContact OD2-N 2.93Å; D18-R24 VanDerWaalsContact CG-NH2 3.31Å; D18-R24 IonicContact OD2-CZ 3.64Å; D18-R24 IonicContact OD2-NE 3.72Å; D18-R24 PolarHBondContact OD2-NE 3.44Å; D18-R24 IonicContact OD2-NH2 2.68Å; D18-R24 PolarHBondContact OD2-NH2 3.01Å
19P59Low57.4Low13 Ų1380.9 Ų80.98%0.08440%0.403CS..THydrogen-bonded Turntrans-65.9-17.7-174.326.3-32.8000112.3M17 R138 T140 M151M17-P19 WeakPolarHBondContact O-CD 3.34Å; P19-R138 VanDerWaalsContact CA-NH2 3.33Å; P19-T140 HydrophobicContact CB-CG2 3.29Å; P19-T140 VanDerWaalsContact CB-OG1 3.3Å; P19-T140 WeakPolarHBondContact CB-OG1 3.22Å; P19-T140 HydrophobicContact CG-CG2 3.37Å; P19-M151 HydrophobicContact CB-SD 4.26Å
20F68.2Low58.5Low3 Ų377.9 Ų77.91%0.01339%0.39CS..THydrogen-bonded Turntrans-93.6-0176.4-54.9-62.9000112.3D18 I22 H23 R24 Q122 T124 T140 R142D18-F20 PolarHBondContact O-N 3.03Å; D18-F20 VanDerWaalsContact O-N 3.08Å; D18-F20 PolarHBondContact OD1-N 3.36Å; D18-F20 VanDerWaalsContact OD1-N 3.14Å; F20-I22 PolarHBondContact O-N 3.37Å; F20-H23 CarbonylContact O-C 3.6Å; F20-H23 PolarHBondContact O-N 3Å; F20-R24 HydrophobicContact CB-CG 4.34Å; F20-R24 VanDerWaalsContact O-CB 3.26Å; F20-R24 WeakPolarHBondContact O-CB 3.44Å; F20-R24 WeakPolarHBondContact O-CG 3.44Å; F20-R24 PolarHBondContact O-N 3.41Å; F20-Q122 HydrophobicContact CD1-CG 3.81Å; F20-Q122 HydrophobicContact CE1-CB 4.3Å; F20-Q122 HydrophobicContact CE1-CG 3.31Å; F20-Q122 HydrophobicContact CE2-CG 4.16Å; F20-Q122 HydrophobicContact CG-CG 4.42Å; F20-Q122 HydrophobicContact CZ-CB 4.01Å; F20-Q122 HydrophobicContact CZ-CG 3.48Å; F20-Q122 VanDerWaalsContact CZ-CG 3.48Å; F20-T124 WeakPolarHBondContact CD1-OG1 3.35Å; F20-T124 WeakPolarHBondContact CE1-OG1 3.5Å; F20-T140 HydrophobicContact CE1-CG2 4.39Å; F20-T140 HydrophobicContact CE2-CG2 4.41Å; F20-T140 HydrophobicContact CZ-CG2 3.94Å; F20-R142 HydrophobicContact CE2-CB 4.11Å; F20-R142 HydrophobicContact CZ-CB 4.1Å
21A69Low59.2Low28 Ų2878 Ų7823%0.23139%0.385CS..Hα-helixtrans-62.7-44.7-172.500000112.1D18 R24 Q25D18-A21 HydrophobicContact CB-CB 4Å; D18-A21 WeakPolarHBondContact O-CB 3.38Å; D18-A21 PolarHBondContact O-N 3.03Å; D18-A21 WeakPolarHBondContact OD2-CA 3.49Å; D18-A21 WeakPolarHBondContact OD2-CB 3.16Å; D18-A21 PolarHBondContact OD2-N 2.93Å; A21-R24 PolarHBondContact O-N 2.72Å; A21-Q25 WeakPolarHBondContact O-CB 3.32Å; A21-Q25 VanDerWaalsContact O-CG 3.26Å; A21-Q25 WeakPolarHBondContact O-CG 3.41Å; A21-Q25 PolarHBondContact O-N 3.48Å
22I65.2Low59.9Low40 Ų4075.3 Ų75.321%0.20538%0.384CS..Hα-helixtrans-66.9-44.7-179.8-59.2173000109.6F20 Q25 H26 F102F20-I22 PolarHBondContact O-N 3.37Å; I22-Q25 WeakPolarHBondContact O-CB 3.44Å; I22-Q25 PolarHBondContact O-N 2.89Å; I22-H26 PolarHBondContact O-N 3.23Å; I22-F102 HydrophobicContact CG2-CE1 4.02Å; I22-F102 HydrophobicContact CG2-CE2 4.33Å; I22-F102 HydrophobicContact CG2-CZ 3.44Å; I22-F102 VanDerWaalsContact CG2-CZ 3.44Å
23H66.9Low59.9Low8 Ų874.7 Ų74.74%0.03739%0.392CS..Hα-helixtrans-60.7-45.8173.7177.667.4000112.3F20 Q25 H26 M27 T106 T124F20-H23 CarbonylContact O-C 3.6Å; F20-H23 PolarHBondContact O-N 3Å; H23-Q25 VanDerWaalsContact C-N 3.3Å; H23-Q25 PolarHBondContact O-N 3.12Å; H23-H26 CarbonylContact O-C 3.52Å; H23-H26 WeakPolarHBondContact O-CA 3.19Å; H23-H26 WeakPolarHBondContact O-CB 3.37Å; H23-H26 PolarHBondContact O-N 2.68Å; H23-M27 WeakPolarHBondContact CE1-CE 3.46Å; H23-M27 WeakPolarHBondContact CE1-CG 3.48Å; H23-M27 WeakPolarHBondContact NE2-CG 3.28Å; H23-M27 PolarHBondContact O-N 3.43Å; H23-T106 PolarHBondContact CD2-OG1 3.07Å; H23-T106 WeakPolarHBondContact CE1-CB 3.36Å; H23-T106 PolarHBondContact CE1-OG1 2.84Å; H23-T106 WeakPolarHBondContact ND1-CB 3.12Å; H23-T106 PolarHBondContact ND1-OG1 2.78Å; H23-T106 VanDerWaalsContact NE2-CB 3.34Å; H23-T106 WeakPolarHBondContact NE2-CB 3.34Å; H23-T124 HydrophobicContact CB-CG2 4.43Å
24R68.8Low59.4Low146 Ų14673.9 Ų73.955%0.55140%0.4SS*.Hα-helixtrans-59.1-43.3176.7-75.7-164.7-67.1172.85110.2D18 F20 A21 H26 M27 S28D18-R24 VanDerWaalsContact CG-NH2 3.31Å; D18-R24 IonicContact OD2-CZ 3.64Å; D18-R24 IonicContact OD2-NE 3.72Å; D18-R24 PolarHBondContact OD2-NE 3.44Å; D18-R24 IonicContact OD2-NH2 2.68Å; D18-R24 PolarHBondContact OD2-NH2 3.01Å; F20-R24 HydrophobicContact CB-CG 4.34Å; F20-R24 VanDerWaalsContact O-CB 3.26Å; F20-R24 WeakPolarHBondContact O-CB 3.44Å; F20-R24 WeakPolarHBondContact O-CG 3.44Å; F20-R24 PolarHBondContact O-N 3.41Å; A21-R24 PolarHBondContact O-N 2.72Å; R24-H26 VanDerWaalsContact C-N 3.35Å; R24-H26 PolarHBondContact O-N 3.49Å; R24-M27 PolarHBondContact O-N 3.14Å; R24-S28 WeakPolarHBondContact O-CB 3.48Å; R24-S28 PolarHBondContact O-N 2.9Å; R24-S28 PolarHBondContact O-OG 3.1Å
25Q69.6Low59Low112 Ų11280.7 Ų80.752%0.52343%0.429SS..Hα-helixtrans-62.1-41.4173.4-73.5174.3-300112.3A21 I22 H23 R29A21-Q25 WeakPolarHBondContact O-CB 3.32Å; A21-Q25 VanDerWaalsContact O-CG 3.26Å; A21-Q25 WeakPolarHBondContact O-CG 3.41Å; A21-Q25 PolarHBondContact O-N 3.48Å; I22-Q25 WeakPolarHBondContact O-CB 3.44Å; I22-Q25 PolarHBondContact O-N 2.89Å; H23-Q25 VanDerWaalsContact C-N 3.3Å; H23-Q25 PolarHBondContact O-N 3.12Å; Q25-R29 WeakPolarHBondContact O-CB 3.34Å; Q25-R29 VanDerWaalsContact O-CG 3.31Å; Q25-R29 WeakPolarHBondContact O-CG 3.36Å; Q25-R29 PolarHBondContact O-N 3.07Å
26H65.5Low58.7Low73 Ų7381.9 Ų81.934%0.33846%0.458SS..Hα-helixtrans-65.6-48.2177.3-175.9-102.5000111.9I22 H23 R24 R29 M30I22-H26 PolarHBondContact O-N 3.23Å; H23-H26 CarbonylContact O-C 3.52Å; H23-H26 WeakPolarHBondContact O-CA 3.19Å; H23-H26 WeakPolarHBondContact O-CB 3.37Å; H23-H26 PolarHBondContact O-N 2.68Å; R24-H26 VanDerWaalsContact C-N 3.35Å; R24-H26 PolarHBondContact O-N 3.49Å; H26-R29 WeakPolarHBondContact O-CB 3.49Å; H26-R29 PolarHBondContact O-N 2.91Å; H26-R29 VanDerWaalsContact O-N 3.15Å; H26-M30 VanDerWaalsContact CE1-CE 3.43Å; H26-M30 WeakPolarHBondContact CE1-CE 3.29Å; H26-M30 VanDerWaalsContact CE1-SD 3.55Å; H26-M30 WeakPolarHBondContact O-CG 3.48Å; H26-M30 PolarHBondContact O-N 3.46Å
27M65.9Low58.3Low67 Ų6785.8 Ų85.833%0.3347%0.466SS..Hα-helixtrans-62.7-42.6174.5-79.8-65.9-17500111.8H23 R24 R29 M30 L31H23-M27 WeakPolarHBondContact CE1-CE 3.46Å; H23-M27 WeakPolarHBondContact CE1-CG 3.48Å; H23-M27 WeakPolarHBondContact NE2-CG 3.28Å; H23-M27 PolarHBondContact O-N 3.43Å; R24-M27 PolarHBondContact O-N 3.14Å; M27-R29 VanDerWaalsContact C-N 3.26Å; M27-R29 PolarHBondContact O-N 3Å; M27-M30 HydrophobicContact CE-CE 4.29Å; M27-M30 PolarHBondContact O-N 3.04Å; M27-M30 VanDerWaalsContact O-N 3.16Å; M27-M30 HydrophobicContact SD-CE 3.82Å; M27-L31 HydrophobicContact CB-CD1 4.44Å; M27-L31 VanDerWaalsContact O-CB 3.26Å; M27-L31 WeakPolarHBondContact O-CB 3.28Å; M27-L31 VanDerWaalsContact O-CG 3.24Å; M27-L31 WeakPolarHBondContact O-CG 3.44Å; M27-L31 PolarHBondContact O-N 3.4Å
28S64.9Low57.6Low74 Ų7483.2 Ų83.252%0.51746%0.46SS..Hα-helixtrans-59.8-38.2173.7-68.90000111.2R24 S32R24-S28 WeakPolarHBondContact O-CB 3.48Å; R24-S28 PolarHBondContact O-N 2.9Å; R24-S28 PolarHBondContact O-OG 3.1Å; S28-S32 WeakPolarHBondContact O-CA 3.49Å; S28-S32 WeakPolarHBondContact O-CB 3.34Å; S28-S32 PolarHBondContact O-N 3.31Å
29R62.7Low57.1Low189 Ų18986 Ų8671%0.71348%0.479SS*.Hα-helixtrans-67.9-40.1174-76176.1-174.5160.93.6112.7Q25 H26 M27 G33Q25-R29 WeakPolarHBondContact O-CB 3.34Å; Q25-R29 VanDerWaalsContact O-CG 3.31Å; Q25-R29 WeakPolarHBondContact O-CG 3.36Å; Q25-R29 PolarHBondContact O-N 3.07Å; H26-R29 WeakPolarHBondContact O-CB 3.49Å; H26-R29 PolarHBondContact O-N 2.91Å; H26-R29 VanDerWaalsContact O-N 3.15Å; M27-R29 VanDerWaalsContact C-N 3.26Å; M27-R29 PolarHBondContact O-N 3Å; R29-G33 PolarHBondContact O-N 3.39Å
30M58.6Low56.7Low107 Ų10792.1 Ų92.153%0.52751%0.505SS..Hα-helixtrans-70-41.8177.7-67.7-153.7-6600112.3H26 M27 G33H26-M30 VanDerWaalsContact CE1-CE 3.43Å; H26-M30 WeakPolarHBondContact CE1-CE 3.29Å; H26-M30 VanDerWaalsContact CE1-SD 3.55Å; H26-M30 WeakPolarHBondContact O-CG 3.48Å; H26-M30 PolarHBondContact O-N 3.46Å; M27-M30 HydrophobicContact CE-CE 4.29Å; M27-M30 PolarHBondContact O-N 3.04Å; M27-M30 VanDerWaalsContact O-N 3.16Å; M27-M30 HydrophobicContact SD-CE 3.82Å; M30-G33 PolarHBondContact O-N 2.92Å
31L58.2Low55.7Low101 Ų10198.2 Ų98.253%0.52954%0.537SS..Hα-helixtrans-79.7-26.3-179.5-63.5171.6000112.8M27 G33M27-L31 HydrophobicContact CB-CD1 4.44Å; M27-L31 VanDerWaalsContact O-CB 3.26Å; M27-L31 WeakPolarHBondContact O-CB 3.28Å; M27-L31 VanDerWaalsContact O-CG 3.24Å; M27-L31 WeakPolarHBondContact O-CG 3.44Å; M27-L31 PolarHBondContact O-N 3.4Å; L31-G33 PolarHBondContact O-N 2.78Å
32S57.8Low54.5Low103 Ų103102.5 Ų102.572%0.7257%0.565SS**THydrogen-bonded Turntrans-76.7-10.9172.1-176.70000112.5S28 G34S28-S32 WeakPolarHBondContact O-CA 3.49Å; S28-S32 WeakPolarHBondContact O-CB 3.34Å; S28-S32 PolarHBondContact O-N 3.31Å; S32-G34 PolarHBondContact O-N 3.47Å; S32-G34 VanDerWaalsContact O-N 3.11Å
33G44.1Very low53.8Low48 Ų48106.9 Ų106.950%0.49559%0.588SS.*SBendtrans-79.776.7175.800000112.9R29 M30 L31 F35R29-G33 PolarHBondContact O-N 3.39Å; M30-G33 PolarHBondContact O-N 2.92Å; L31-G33 PolarHBondContact O-N 2.78Å; G33-F35 VanDerWaalsContact C-N 3.3Å; G33-F35 PolarHBondContact O-N 2.85Å
34G40.4Very low52.5Low75 Ų75111.7 Ų111.777%0.77362%0.618SS**SBendtrans64.7-1.8145.400000121.3S32S32-G34 PolarHBondContact O-N 3.47Å; S32-G34 VanDerWaalsContact O-N 3.11Å
35F37.4Very low51Low175 Ų175111.2 Ų111.277%0.76863%0.627SS**  trans-127.4114.5174-82.9-92.6000110.7G33 Y37G33-F35 VanDerWaalsContact C-N 3.3Å; G33-F35 PolarHBondContact O-N 2.85Å; F35-Y37 PolarHBondContact O-N 3.18Å
36G42.2Very low49.6Very low83 Ų83110 Ų11086%0.85664%0.644SS**  trans-67.855-174.900000116
37Y41.8Very low48.4Very low199 Ų199112.4 Ų112.478%0.7866%0.66SS**  trans-110.182.5167.4-79.8-86.5000109F35 P39F35-Y37 PolarHBondContact O-N 3.18Å; Y37-P39 WeakPolarHBondContact O-CD 3.29Å
38S40.5Very low47.3Very low63 Ų63118 Ų11844%0.44169%0.687SS.*  trans-84.6107.2163.1-63.90000108.3F40 L41S38-F40 PolarHBondContact O-N 2.68Å; S38-F40 VanDerWaalsContact O-N 3.09Å; S38-L41 VanDerWaalsContact CB-CD1 3.45Å; S38-L41 PolarHBondContact O-N 2.69Å; S38-L41 WeakPolarHBondContact OG-CD1 3.23Å
39P52.3Low46.2Very low98 Ų98119.9 Ų119.964%0.63670%0.697SS**THydrogen-bonded Turntrans-68.3-7176.928.3-33.3000112.6Y37Y37-P39 WeakPolarHBondContact O-CD 3.29Å
40F51.6Low45.3Very low143 Ų143114.1 Ų114.163%0.62770%0.697SS**THydrogen-bonded Turntrans-105.5-2.4-179-66.4-76.2000114.7S38 S42S38-F40 PolarHBondContact O-N 2.68Å; S38-F40 VanDerWaalsContact O-N 3.09Å; F40-S42 VanDerWaalsContact C-N 3.3Å; F40-S42 PolarHBondContact O-N 3Å
41L45.7Very low44.7Very low130 Ų130116.1 Ų116.168%0.68172%0.715SS**THydrogen-bonded Turntrans-87.923.3-179-72.1-177.9000114.9S38S38-L41 VanDerWaalsContact CB-CD1 3.45Å; S38-L41 PolarHBondContact O-N 2.69Å; S38-L41 WeakPolarHBondContact OG-CD1 3.23Å
42S44Very low43.9Very low118 Ų118122.4 Ų122.483%0.82573%0.732SS**THydrogen-bonded Turntrans-119.28.2174-146.50000114.4F40F40-S42 VanDerWaalsContact C-N 3.3Å; F40-S42 PolarHBondContact O-N 3Å
43I50.8Low43.5Very low133 Ų133122.9 Ų122.968%0.68273%0.733SS**SBendtrans-111.7-6.6-177.9-63.1178.1000112.7
44T40Very low43.3Very low109 Ų109125.3 Ų125.367%0.66975%0.748SS**SBendtrans-129.998.5175.7-1790000109.2
45D37.8Very low43.4Very low136 Ų136127 Ų12773%0.72775%0.748SS**  164.8100.7117-164.721.9000109.2N47D45-N47 VanDerWaalsContact C-N 3.35Å; D45-N47 PolarHBondContact O-N 2.9Å
46G39.3Very low43.7Very low87 Ų87129.6 Ų129.690%0.89775%0.753SS**  trans-81.780.4171.200000109.8
47N41Very low43.4Very low123 Ų123137.4 Ų137.466%0.65876%0.756SS**  trans-152.391.9170.9-16540.2000112.4D45D45-N47 VanDerWaalsContact C-N 3.35Å; D45-N47 PolarHBondContact O-N 2.9Å
48M43.4Very low43.2Very low184 Ų184135.7 Ų135.791%0.90676%0.757SS**  trans-105.8131.5170.7-85.8-99.4-96.700110.3
49P40.8Very low43.4Very low113 Ų113140.1 Ų140.173%0.73477%0.771SS**  trans-132.6129.6146.832.4-17.1000113.7
50G43.3Very low42.5Very low68 Ų68145.2 Ų145.270%0.70179%0.786SS**  trans74.7137162.100000115.1
51T47.5Very low41.7Very low150 Ų150142.8 Ų142.892%0.9279%0.793SS**  cis-168.6151.127.83.10000108.5
52R40.7Very low41.2Very low233 Ų233139.5 Ų139.588%0.87979%0.79SS**  trans-79.5-166.9-173-55.6169.372.8110.4-1.8112.6
53P50Low40.9Very low113 Ų113138.6 Ų138.673%0.73479%0.79SS**  -132.2169.3-56.132.5-14.7000113.2
54A39.8Very low40.6Very low99 Ų99139 Ų13982%0.81880%0.798SS**  trans172.4121.3137.800000114.9
55S41Very low40.7Very low109 Ų109137.4 Ų137.476%0.76279%0.792SS**  trans66129.3133.3-128.60000123.4
56R44.5Very low41Very low231 Ų231137.4 Ų137.487%0.87280%0.799SS**  trans95.5101.8150.2-61-171.7-164.3162.25.4119.7
57R35.4Very low41.5Very low247 Ų247142 Ų14293%0.93279%0.794SS**  trans-2.5117.9137.1-68.8-180-179.1168.1-0.1115.8
58M38.8Very low41.5Very low163 Ų163139.2 Ų139.280%0.80380%0.796SS**  -175137.9120.9-119.1170.213300110.1
59Q43.6Very low41.6Very low155 Ų155139 Ų13972%0.72480%0.795SS**  trans70.188.7156.3-59.8-180-3.600117.6A61Q59-A61 VanDerWaalsContact C-N 3.28Å; Q59-A61 PolarHBondContact O-N 3.22Å
60Q33Very low41.8Very low205 Ų205140.3 Ų140.396%0.95880%0.795SS**  0.675.3123.1-163.4172.613.800115.2
61A34.9Very low41.5Very low93 Ų93140.6 Ų140.677%0.76980%0.797SS**  trans-106.4114.1161.100000105.8Q59Q59-A61 VanDerWaalsContact C-N 3.28Å; Q59-A61 PolarHBondContact O-N 3.22Å
62G35.9Very low41.2Very low61 Ų61141.4 Ų141.463%0.62979%0.793SS**  trans-51.7145.3-172.700000112.2V64G62-V64 VanDerWaalsContact C-N 3.29Å; G62-V64 PolarHBondContact O-N 3.15Å
63A37Very low41.1Very low99 Ų99136.8 Ų136.882%0.81880%0.796SS**  trans-54.498.8164.400000108S65A63-S65 PolarHBondContact O-N 3.37Å
64V45.3Very low40.6Very low140 Ų140133.2 Ų133.285%0.84878%0.779SS**  trans-70.381.3165.5-820000106.4G62G62-V64 VanDerWaalsContact C-N 3.29Å; G62-V64 PolarHBondContact O-N 3.15Å
65S41.4Very low40.9Very low77 Ų77131.4 Ų131.454%0.53877%0.771SS.*  trans-54.9126164.7-82.10000107.3A63 F67 G68A63-S65 PolarHBondContact O-N 3.37Å; S65-F67 PolarHBondContact O-N 2.74Å; S65-G68 PolarHBondContact O-N 3.49Å
66P44.8Very low41.2Very low135 Ų135134.2 Ų134.288%0.87777%0.769SS**THydrogen-bonded Turntrans-64.4-2.7177.727.3-33.9000112.6
67F50.2Low41.3Very low183 Ų183131.1 Ų131.180%0.80377%0.767SS**THydrogen-bonded Turntrans-97.9-4.4174-127.5-99.6000114.2S65S65-F67 PolarHBondContact O-N 2.74Å
68G40.5Very low42Very low66 Ų66125.1 Ų125.168%0.6875%0.753SS**THydrogen-bonded Turntrans-94-6.9-17300000115.9S65S65-G68 PolarHBondContact O-N 3.49Å
69M44.7Very low42.7Very low180 Ų180123.3 Ų123.389%0.88774%0.744SS**THydrogen-bonded Turntrans-103.721.7175.4-152.8-163.6110.500112.4G71M69-G71 VanDerWaalsContact C-N 3.3Å
70L45.2Very low43.1Very low140 Ų140122.6 Ų122.673%0.73374%0.739SS**  trans-10131173.4-130.5131.2000111.1
71G37.5Very low44.1Very low73 Ų73114.4 Ų114.475%0.75371%0.71SS**  trans-96.611.6178.500000114.9M69M69-G71 VanDerWaalsContact C-N 3.3Å
72M42Very low45.1Very low168 Ų168116.6 Ų116.683%0.82871%0.706SS**SBendtrans-92.5109.6162.7-73.6-164.180.900108.6G74M72-G74 PolarHBondContact O-N 3.2Å
73S38.2Very low46.1Very low136 Ų136116.7 Ų116.795%0.95169%0.69SS**THydrogen-bonded Turntrans-63.744.1179.957.50000114.9
74G39.5Very low47Very low37 Ų37117.6 Ų117.638%0.38168%0.682SS.*THydrogen-bonded Turntrans-157.1-3.6-17600000117.6M72 F76 M77M72-G74 PolarHBondContact O-N 3.2Å; G74-F76 PolarHBondContact O-N 3.22Å; G74-F76 VanDerWaalsContact O-N 3.15Å; G74-M77 PolarHBondContact O-N 3.43Å
75G44.6Very low47.6Very low62 Ų62116.4 Ų116.464%0.63967%0.67SS**THydrogen-bonded Turntrans-73.5-5-16300000119.3
76F48.1Very low48.4Very low167 Ų167118.7 Ų118.773%0.73267%0.674SS**THydrogen-bonded Turntrans-102.3-24.3175.9-104.8-94.6000113.5G74G74-F76 PolarHBondContact O-N 3.22Å; G74-F76 VanDerWaalsContact O-N 3.15Å
77M47.6Very low49Very low167 Ų167115 Ų11582%0.82365%0.647SS**Hα-helixtrans-83.9-30.1177.5-69.8-166.3-143.200112.4G74 M79 F80 G81G74-M77 PolarHBondContact O-N 3.43Å; M77-M79 VanDerWaalsContact C-N 3.34Å; M77-M79 PolarHBondContact O-N 3.35Å; M77-F80 PolarHBondContact O-N 3.42Å; M77-G81 PolarHBondContact O-N 2.89Å
78D49.8Very low49.5Very low121 Ų121108 Ų10865%0.64763%0.626SS**Hα-helixtrans-64.8-34.9-179.6-111.7-52.1000113.1G81 M82D78-G81 PolarHBondContact O-N 3.15Å; D78-M82 WeakPolarHBondContact O-CB 3.26Å; D78-M82 PolarHBondContact O-N 3.03Å
79M52.5Low50.2Low125 Ų125109.9 Ų109.962%0.61662%0.62SS**Hα-helixtrans-69.7-35.7179-172.9175.6-87.500112.1M77 M83M77-M79 VanDerWaalsContact C-N 3.34Å; M77-M79 PolarHBondContact O-N 3.35Å; M79-M83 WeakPolarHBondContact O-CB 3.43Å; M79-M83 WeakPolarHBondContact O-CG 3.4Å; M79-M83 PolarHBondContact O-N 2.88Å
80F51.7Low50.6Low140 Ų140103.8 Ų103.861%0.61459%0.59SS**Hα-helixtrans-67.3-40.7174.3-93.9-88.9000111.9M77 N84M77-F80 PolarHBondContact O-N 3.42Å; F80-N84 PolarHBondContact O-N 3.41Å; F80-N84 VanDerWaalsContact O-N 3.11Å
81G55.4Low51Low33 Ų33101.8 Ų101.834%0.3458%0.577SS.*Hα-helixtrans-63.9-49.8175.100000112.2M77 D78 M83 N84 D85M77-G81 PolarHBondContact O-N 2.89Å; D78-G81 PolarHBondContact O-N 3.15Å; G81-M83 VanDerWaalsContact C-N 3.32Å; G81-M83 PolarHBondContact O-N 2.89Å; G81-N84 PolarHBondContact O-N 3.34Å; G81-N84 VanDerWaalsContact O-N 3.12Å; G81-D85 PolarHBondContact O-N 3.29Å
82M56.4Low51.8Low139 Ų139105.7 Ų105.769%0.68558%0.575SS**Hα-helixtrans-64.1-34.2179.4-166.3179.4168.600112.8D78 M86D78-M82 WeakPolarHBondContact O-CB 3.26Å; D78-M82 PolarHBondContact O-N 3.03Å; M82-M86 WeakPolarHBondContact O-CB 3.44Å; M82-M86 PolarHBondContact O-N 3.5Å
83M55.6Low52.3Low62 Ų62104.3 Ų104.331%0.30557%0.568SS.*Hα-helixtrans-65.2-43.8171.6-90176.358.300112.2M79 G81 D85 M86 I87 S105M79-M83 WeakPolarHBondContact O-CB 3.43Å; M79-M83 WeakPolarHBondContact O-CG 3.4Å; M79-M83 PolarHBondContact O-N 2.88Å; G81-M83 VanDerWaalsContact C-N 3.32Å; G81-M83 PolarHBondContact O-N 2.89Å; M83-D85 VanDerWaalsContact C-N 3.34Å; M83-M86 PolarHBondContact O-N 3.43Å; M83-I87 WeakPolarHBondContact O-CB 3.39Å; M83-I87 WeakPolarHBondContact O-CD1 3.25Å; M83-I87 WeakPolarHBondContact O-CG1 3.25Å; M83-I87 PolarHBondContact O-N 2.77Å; M83-S105 VanDerWaalsContact CE-OG 3.28Å; M83-S105 WeakPolarHBondContact CE-OG 3.39Å
84N56.7Low52.9Low119 Ų11999.9 Ų99.964%0.63654%0.536SS*.Hα-helixtrans-65.3-39.8178.6-124-5.1000111.3F80 G81 I87 G88F80-N84 PolarHBondContact O-N 3.41Å; F80-N84 VanDerWaalsContact O-N 3.11Å; G81-N84 PolarHBondContact O-N 3.34Å; G81-N84 VanDerWaalsContact O-N 3.12Å; N84-I87 PolarHBondContact O-N 3.32Å; N84-G88 PolarHBondContact O-N 2.8Å
85D57.8Low53.5Low114 Ų114102.3 Ų102.361%0.6155%0.553SS**Hα-helixtrans-66.9-37174.4-79.1-45.6000112.5G81 M83 N89G81-D85 PolarHBondContact O-N 3.29Å; M83-D85 VanDerWaalsContact C-N 3.34Å; D85-N89 VanDerWaalsContact O-CB 3.29Å; D85-N89 WeakPolarHBondContact O-CB 3.19Å; D85-N89 PolarHBondContact O-N 3.07Å
86M58.5Low53.7Low126 Ų126103.1 Ų103.162%0.62156%0.56SS**Hα-helixtrans-70.2-37.5176.4-156.9179.4-148.900111.5M82 M83 M90M82-M86 WeakPolarHBondContact O-CB 3.44Å; M82-M86 PolarHBondContact O-N 3.5Å; M83-M86 PolarHBondContact O-N 3.43Å; M86-M90 WeakPolarHBondContact O-CB 3.14Å; M86-M90 PolarHBondContact O-N 2.76Å
87I57.6Low53.9Low58 Ų5897.3 Ų97.330%0.29755%0.548SS..Hα-helixtrans-64.4-48.6173.2-70.4163.9000110.1M83 N84 N89 M90 E91M83-I87 WeakPolarHBondContact O-CB 3.39Å; M83-I87 WeakPolarHBondContact O-CD1 3.25Å; M83-I87 WeakPolarHBondContact O-CG1 3.25Å; M83-I87 PolarHBondContact O-N 2.77Å; N84-I87 PolarHBondContact O-N 3.32Å; I87-N89 PolarHBondContact O-N 2.88Å; I87-M90 PolarHBondContact O-N 2.83Å; I87-E91 WeakPolarHBondContact O-CG 3.36Å; I87-E91 PolarHBondContact O-N 2.87Å
88G58.9Low54.6Low35 Ų3596 Ų9636%0.36154%0.544SS..Hα-helixtrans-63.4-40.1177.500000113.5N84 E91 H92N84-G88 PolarHBondContact O-N 2.8Å; G88-E91 PolarHBondContact O-N 3.47Å; G88-H92 PolarHBondContact O-N 2.91Å
89N56.1Low55.6Low106 Ų10693 Ų9357%0.56753%0.532SS*.Hα-helixtrans-68.7-33.6173.9-96.9-29.5000112.7D85 I87 H92 M93D85-N89 VanDerWaalsContact O-CB 3.29Å; D85-N89 WeakPolarHBondContact O-CB 3.19Å; D85-N89 PolarHBondContact O-N 3.07Å; I87-N89 PolarHBondContact O-N 2.88Å; N89-H92 WeakPolarHBondContact O-CB 3.31Å; N89-H92 PolarHBondContact O-N 3.03Å; N89-M93 WeakPolarHBondContact O-CG 3.41Å; N89-M93 PolarHBondContact O-N 3.38Å
90M53.1Low56.9Low51 Ų5192.5 Ų92.525%0.25153%0.528SS..Hα-helixtrans-70.8-39.5177.6-164.4174.8-74.600110.9M86 I87 H92 M93 T94 T101M86-M90 WeakPolarHBondContact O-CB 3.14Å; M86-M90 PolarHBondContact O-N 2.76Å; I87-M90 PolarHBondContact O-N 2.83Å; M90-H92 PolarHBondContact O-N 3.42Å; M90-M93 HydrophobicContact CB-CE 4.43Å; M90-M93 CarbonylContact O-C 3.51Å; M90-M93 PolarHBondContact O-N 2.84Å; M90-T94 HydrophobicContact CG-CG2 4.39Å; M90-T94 WeakPolarHBondContact O-CG2 3.32Å; M90-T94 PolarHBondContact O-N 2.89Å; M90-T94 PolarHBondContact O-OG1 2.62Å; M90-T101 HydrophobicContact CG-CG2 3.87Å; M90-T101 HydrophobicContact SD-CG2 3.41Å; M90-T101 WeakPolarHBondContact SD-CG2 3.47Å
91E54.2Low58.3Low99 Ų9987.4 Ų87.446%0.46351%0.508SS..Hα-helixtrans-54.8-41.1169.7-72.8-178.3163.100111I87 G88 M93 T94 A95 R135I87-E91 WeakPolarHBondContact O-CG 3.36Å; I87-E91 PolarHBondContact O-N 2.87Å; G88-E91 PolarHBondContact O-N 3.47Å; E91-M93 PolarHBondContact O-N 3.35Å; E91-T94 PolarHBondContact O-N 3.1Å; E91-T94 PolarHBondContact O-OG1 2.86Å; E91-A95 PolarHBondContact O-N 2.83Å; E91-R135 IonicContact OE1-NH1 3.49Å
92H54.7Low59.6Low154 Ų15489.2 Ų89.271%0.71351%0.507SS*.Hα-helixtrans-67.5-32.9174.9-158-27.4000113.7G88 N89 M90G88-H92 PolarHBondContact O-N 2.91Å; N89-H92 WeakPolarHBondContact O-CB 3.31Å; N89-H92 PolarHBondContact O-N 3.03Å; M90-H92 PolarHBondContact O-N 3.42Å
93M50.6Low60.8Low139 Ų13984.6 Ų84.669%0.68549%0.489SS*.Hα-helixtrans-76.5-27.6175.2-71.7-171.7-74.200113.3N89 M90 E91N89-M93 WeakPolarHBondContact O-CG 3.41Å; N89-M93 PolarHBondContact O-N 3.38Å; M90-M93 HydrophobicContact CB-CE 4.43Å; M90-M93 CarbonylContact O-C 3.51Å; M90-M93 PolarHBondContact O-N 2.84Å; E91-M93 PolarHBondContact O-N 3.35Å
94T51.9Low62.1Low43 Ų4382.8 Ų82.826%0.26448%0.482SS..Hα-helixtrans-80.7-16.8-179.665.70000114.4M90 E91 G96 T101M90-T94 HydrophobicContact CG-CG2 4.39Å; M90-T94 WeakPolarHBondContact O-CG2 3.32Å; M90-T94 PolarHBondContact O-N 2.89Å; M90-T94 PolarHBondContact O-OG1 2.62Å; E91-T94 PolarHBondContact O-N 3.1Å; E91-T94 PolarHBondContact O-OG1 2.86Å; T94-G96 PolarHBondContact O-N 3.06Å; T94-T101 HydrophobicContact CG2-CG2 4.08Å; T94-T101 VanDerWaalsContact CG2-OG1 3.25Å; T94-T101 WeakPolarHBondContact CG2-OG1 3.35Å
95A52.6Low63.3Low89 Ų8978.5 Ų78.574%0.73646%0.461SS*.THydrogen-bonded Turntrans-66-7.8-176.100000114.6E91E91-A95 PolarHBondContact O-N 2.83Å
96G48.4Very low64.5Low78 Ų7874.4 Ų74.480%0.80444%0.44SS*.THydrogen-bonded Turntrans-117.63.3-166.700000118.2T94T94-G96 PolarHBondContact O-N 3.06Å
97G51.2Low65.9Low45 Ų4571 Ų7146%0.46443%0.427SS..SBendtrans-162.8156.4-175.600000114.6C99G97-C99 PolarHBondContact O-N 2.85Å; G97-C99 PolarHBondContact O-SG 3.17Å
98N63.6Low67.3Low141 Ų14172.4 Ų72.475%0.75443%0.434SS*.SBendtrans-67.646176.7-174.166.1000112.6P131N98-P131 VanDerWaalsContact C-CG 3.47Å; N98-P131 HydrophobicContact CB-CG 4.29Å; N98-P131 WeakPolarHBondContact OD1-CG 3.45Å
99C69.2Low68.5Low58 Ų5873.9 Ų73.939%0.39244%0.438SS..  trans-100.9144.9-176.3600000111.5G97 P131G97-C99 PolarHBondContact O-N 2.85Å; G97-C99 PolarHBondContact O-SG 3.17Å; C99-P131 WeakPolarHBondContact O-CD 3.48Å
100Q81.6Confident70Confident114 Ų11474.2 Ų74.253%0.53343%0.433SS..  trans-88.1138.7162.9-67.3-178.35.900108.8S129 A130 F203Q100-S129 CarbonylContact C-O 3.44Å; Q100-S129 VanDerWaalsContact CA-O 3.29Å; Q100-S129 WeakPolarHBondContact CA-O 3.36Å; Q100-A130 HydrophobicContact CG-CB 4.26Å; Q100-F203 HydrophobicContact CG-CD1 4.37Å; Q100-F203 VanDerWaalsContact NE2-CA 3.31Å; Q100-F203 PolarHBondContact NE2-O 3.18Å; Q100-F203 VanDerWaalsContact NE2-O 3.15Å
101T80.5Confident71.3Confident32 Ų3274.4 Ų74.420%0.19644%0.439CS..EExtended strand (participates in β ladder)trans-120.6143176.6-56.90000109.4M90 T94 R128 S129M90-T101 HydrophobicContact CG-CG2 3.87Å; M90-T101 HydrophobicContact SD-CG2 3.41Å; M90-T101 WeakPolarHBondContact SD-CG2 3.47Å; T94-T101 HydrophobicContact CG2-CG2 4.08Å; T94-T101 VanDerWaalsContact CG2-OG1 3.25Å; T94-T101 WeakPolarHBondContact CG2-OG1 3.35Å; T101-R128 CarbonylContact O-C 3.49Å; T101-R128 VanDerWaalsContact O-CA 3.25Å; T101-R128 WeakPolarHBondContact O-CA 3.31Å; T101-S129 PolarHBondContact N-O 2.88Å; T101-S129 PolarHBondContact O-N 2.58Å
102F82.6Confident72.8Confident72 Ų7273.6 Ų73.632%0.31644%0.438SS..EExtended strand (participates in β ladder)trans-135.1128.9175170.5-112.5000109.1I22 S104 E126 M127 R128I22-F102 HydrophobicContact CG2-CE1 4.02Å; I22-F102 HydrophobicContact CG2-CE2 4.33Å; I22-F102 HydrophobicContact CG2-CZ 3.44Å; I22-F102 VanDerWaalsContact CG2-CZ 3.44Å; F102-S104 VanDerWaalsContact CZ-CB 3.5Å; F102-E126 HydrophobicContact CE2-CB 4.19Å; F102-M127 CarbonylContact C-O 3.53Å; F102-M127 WeakPolarHBondContact CA-O 3.13Å; F102-R128 HydrophobicContact CB-CG 4.42Å; F102-R128 HydrophobicContact CD2-CG 3.49Å; F102-R128 VanDerWaalsContact CD2-CG 3.49Å; F102-R128 HydrophobicContact CE2-CG 4.23Å; F102-R128 VanDerWaalsContact CE2-NH2 3.26Å; F102-R128 HydrophobicContact CG-CG 4.4Å
103S81.8Confident73.9Confident42 Ų4271.6 Ų71.629%0.29444%0.437SS..EExtended strand (participates in β ladder)trans-126.6140.8172.7-176.80000108.9E126 M127S103-E126 CarbonylContact O-C 3.58Å; S103-E126 VanDerWaalsContact O-CA 3.24Å; S103-E126 WeakPolarHBondContact O-CA 3.35Å; S103-M127 PolarHBondContact N-O 2.88Å; S103-M127 PolarHBondContact O-N 2.81Å
104S82.4Confident75Confident23 Ų2367.9 Ų67.916%0.16143%0.434CS..EExtended strand (participates in β ladder)trans-145.8129.5176176.60000108.8F102 S125 E126F102-S104 VanDerWaalsContact CZ-CB 3.5Å; S104-S125 CarbonylContact C-O 3.53Å; S104-S125 WeakPolarHBondContact CA-O 3.48Å; S104-E126 PolarHBondContact OG-OE1 2.82Å
105S81.7Confident76Confident30 Ų3073.3 Ų73.321%0.2146%0.462CS..EExtended strand (participates in β ladder)trans-125.9143.6178.559.30000108.3M83 T124 S125M83-S105 VanDerWaalsContact CE-OG 3.28Å; M83-S105 WeakPolarHBondContact CE-OG 3.39Å; S105-T124 CarbonylContact O-C 3.5Å; S105-T124 VanDerWaalsContact O-CA 3.26Å; S105-T124 WeakPolarHBondContact O-CA 3.26Å; S105-S125 PolarHBondContact N-O 3.08Å; S105-S125 PolarHBondContact O-N 2.94Å; S105-S125 PolarHBondContact OG-O 2.89Å; S105-S125 VanDerWaalsContact OG-O 3.14Å
106T83.9Confident77.2Confident27 Ų2771.6 Ų71.617%0.16645%0.453CS..EExtended strand (participates in β ladder)trans-148136.5175.9-58.60000111.1H23 I108 Q122 E123 T124H23-T106 PolarHBondContact CD2-OG1 3.07Å; H23-T106 WeakPolarHBondContact CE1-CB 3.36Å; H23-T106 PolarHBondContact CE1-OG1 2.84Å; H23-T106 WeakPolarHBondContact ND1-CB 3.12Å; H23-T106 PolarHBondContact ND1-OG1 2.78Å; H23-T106 VanDerWaalsContact NE2-CB 3.34Å; H23-T106 WeakPolarHBondContact NE2-CB 3.34Å; T106-I108 HydrophobicContact CG2-CD1 4.41Å; T106-I108 HydrophobicContact CG2-CG1 3.95Å; T106-Q122 HydrophobicContact CG2-CG 4.05Å; T106-E123 CarbonylContact C-O 3.57Å; T106-E123 WeakPolarHBondContact CA-O 3.14Å; T106-E123 WeakPolarHBondContact CG2-O 3.47Å; T106-T124 WeakPolarHBondContact CB-OG1 3.46Å; T106-T124 WeakPolarHBondContact CG2-OG1 3.49Å; T106-T124 WeakPolarHBondContact OG1-CB 3.2Å; T106-T124 VanDerWaalsContact OG1-CG2 3.32Å; T106-T124 WeakPolarHBondContact OG1-CG2 3.24Å; T106-T124 PolarHBondContact OG1-OG1 3.31Å
107V86.7Confident78.7Confident56 Ų5672.3 Ų72.334%0.33945%0.451SS..EExtended strand (participates in β ladder)trans-109.8131174.8-178.40000107.3Q122 E123V107-Q122 CarbonylContact O-C 3.39Å; V107-Q122 VanDerWaalsContact O-CA 3.26Å; V107-Q122 WeakPolarHBondContact O-CA 3.31Å; V107-E123 PolarHBondContact N-O 3.44Å; V107-E123 PolarHBondContact O-N 2.91Å
108I87.1Confident80.3Confident87 Ų8772.6 Ų72.645%0.44644%0.444SS..EExtended strand (participates in β ladder)trans-127.3123173.7-54175.7000107.4T106 V120 Y121 Q122T106-I108 HydrophobicContact CG2-CD1 4.41Å; T106-I108 HydrophobicContact CG2-CG1 3.95Å; I108-V120 HydrophobicContact CG2-CG1 4.44Å; I108-Y121 CarbonylContact C-O 3.53Å; I108-Y121 WeakPolarHBondContact CA-O 3.43Å; I108-Q122 HydrophobicContact CG1-CG 3.88Å
109S85.2Confident81.5Confident65 Ų6570 Ų7046%0.45543%0.427SS..EExtended strand (participates in β ladder)trans-113.4131.9168.3-176.90000108.6V120 Y121S109-V120 CarbonylContact O-C 3.55Å; S109-V120 VanDerWaalsContact O-CA 3.32Å; S109-V120 WeakPolarHBondContact O-CA 3.2Å; S109-Y121 PolarHBondContact N-O 3.08Å; S109-Y121 PolarHBondContact O-N 2.73Å
110Y86.7Confident82.4Confident113 Ų11369.1 Ų69.144%0.44342%0.419SS..EExtended strand (participates in β ladder)trans-126.7129.4178.6175.3-86000108.4N112 P118 V120Y110-N112 HydrophobicContact CE1-CB 3.84Å; Y110-P118 HydrophobicContact CD2-CB 4.1Å; Y110-P118 HydrophobicContact CE2-CB 3.27Å; Y110-P118 HydrophobicContact CE2-CG 3.79Å; Y110-V120 HydrophobicContact CD2-CG2 3.94Å; Y110-V120 HydrophobicContact CE2-CG2 4.5Å
111S81.1Confident82.8Confident56 Ų5667.4 Ų67.439%0.39241%0.408SS..EExtended strand (participates in β ladder)trans-138.2137170.561.60000109.7P118 K119S111-P118 CarbonylContact O-C 3.58Å; S111-K119 PolarHBondContact N-O 3.25Å; S111-K119 PolarHBondContact O-N 3.26Å; S111-K119 WeakPolarHBondContact OG-CB 3.43Å
112N85.6Confident83.3Confident82 Ų8267 Ų6744%0.43940%0.404SS..  trans-133.6116.6176.3-173.9-3.3000108Y110 G114 P118Y110-N112 HydrophobicContact CE1-CB 3.84Å; N112-G114 PolarHBondContact OD1-N 2.99Å; N112-P118 HydrophobicContact CB-CB 4.15Å
113T78.6Confident83.6Confident111 Ų11165.1 Ų65.168%0.68140%0.397SS*.  trans-94.9517953.10000112.6D115T113-D115 PolarHBondContact O-N 2.83Å
114G73Confident83.8Confident62 Ų6263.2 Ų63.264%0.63938%0.383SS*.SBendtrans81.4-18.6-179.300000114.7N112 G116N112-G114 PolarHBondContact OD1-N 2.99Å; G114-G116 PolarHBondContact O-N 2.81Å
115D73.6Confident84.2Confident157 Ų15764.6 Ų64.684%0.8439%0.393SS*.SBendtrans-92.621.1-174.4-66.1-31.9000114.4T113T113-D115 PolarHBondContact O-N 2.83Å
116G76.8Confident84.4Confident53 Ų5363.5 Ų63.555%0.54638%0.384SS..SBendtrans163.6-163.2177.700000114.6G114G114-G116 PolarHBondContact O-N 2.81Å
117A80.8Confident84.6Confident92 Ų9264.8 Ų64.876%0.7639%0.389SS*.SBendtrans-60.3141.3170.800000109.9
118P84.9Confident84.6Confident51 Ų5165.1 Ų65.133%0.33138%0.384SS..  trans-61.6140.317925.7-33.9000111Y110 S111 N112 V120Y110-P118 HydrophobicContact CD2-CB 4.1Å; Y110-P118 HydrophobicContact CE2-CB 3.27Å; Y110-P118 HydrophobicContact CE2-CG 3.79Å; S111-P118 CarbonylContact O-C 3.58Å; N112-P118 HydrophobicContact CB-CB 4.15Å; P118-V120 PolarHBondContact O-N 2.98Å
119K87.7Confident84.7Confident88 Ų8862.5 Ų62.538%0.38337%0.374SS..EExtended strand (participates in β ladder)trans-81.9112.2171.8-60.8-176.8-178.7-157.50109S111 S144 D145S111-K119 PolarHBondContact N-O 3.25Å; S111-K119 PolarHBondContact O-N 3.26Å; S111-K119 WeakPolarHBondContact OG-CB 3.43Å; K119-S144 VanDerWaalsContact CA-OG 3.32Å; K119-S144 WeakPolarHBondContact CA-OG 3.4Å; K119-D145 HydrophobicContact CD-CB 4.24Å; K119-D145 WeakPolarHBondContact CD-OD1 3.34Å; K119-D145 WeakPolarHBondContact CE-OD1 3.38Å; K119-D145 IonicContact NZ-OD1 2.71Å; K119-D145 PolarHBondContact NZ-OD1 2.92Å; K119-D145 IonicContact NZ-OD2 3.65Å
120V88Confident84.7Confident39 Ų3960.3 Ų60.324%0.23636%0.359CS..EExtended strand (participates in β ladder)trans-109.3128.8173.2-172.60000109.7I108 S109 Y110 P118 S144I108-V120 HydrophobicContact CG2-CG1 4.44Å; S109-V120 CarbonylContact O-C 3.55Å; S109-V120 VanDerWaalsContact O-CA 3.32Å; S109-V120 WeakPolarHBondContact O-CA 3.2Å; Y110-V120 HydrophobicContact CD2-CG2 3.94Å; Y110-V120 HydrophobicContact CE2-CG2 4.5Å; P118-V120 PolarHBondContact O-N 2.98Å; V120-S144 PolarHBondContact N-OG 3.41Å; V120-S144 PolarHBondContact O-N 2.92Å; V120-S144 PolarHBondContact O-OG 3.31Å
121Y89.9Confident84.6Confident77 Ų7756.4 Ų56.430%0.30235%0.348SS..EExtended strand (participates in β ladder)trans-111.7130.2159.9177.3-89.9000107.8I108 S109 E123 V141 R142 D143I108-Y121 CarbonylContact C-O 3.53Å; I108-Y121 WeakPolarHBondContact CA-O 3.43Å; S109-Y121 PolarHBondContact N-O 3.08Å; S109-Y121 PolarHBondContact O-N 2.73Å; Y121-E123 HydrophobicContact CE1-CB 3.69Å; Y121-E123 PolarHBondContact OH-OE2 2.83Å; Y121-V141 HydrophobicContact CE2-CG1 3.79Å; Y121-R142 CarbonylContact C-O 3.54Å; Y121-R142 WeakPolarHBondContact CA-O 3.43Å; Y121-D143 HydrophobicContact CD2-CB 3.85Å; Y121-D143 HydrophobicContact CE2-CB 4.33Å
122Q90.6Very high84.7Confident23 Ų2356 Ų5611%0.10735%0.353CS..EExtended strand (participates in β ladder)trans-138.4129.3177.1-177.7172.111.600109.8F20 T106 V107 I108 V141 R142F20-Q122 HydrophobicContact CD1-CG 3.81Å; F20-Q122 HydrophobicContact CE1-CB 4.3Å; F20-Q122 HydrophobicContact CE1-CG 3.31Å; F20-Q122 HydrophobicContact CE2-CG 4.16Å; F20-Q122 HydrophobicContact CG-CG 4.42Å; F20-Q122 HydrophobicContact CZ-CB 4.01Å; F20-Q122 HydrophobicContact CZ-CG 3.48Å; F20-Q122 VanDerWaalsContact CZ-CG 3.48Å; T106-Q122 HydrophobicContact CG2-CG 4.05Å; V107-Q122 CarbonylContact O-C 3.39Å; V107-Q122 VanDerWaalsContact O-CA 3.26Å; V107-Q122 WeakPolarHBondContact O-CA 3.31Å; I108-Q122 HydrophobicContact CG1-CG 3.88Å; Q122-V141 CarbonylContact O-C 3.59Å; Q122-V141 WeakPolarHBondContact O-CA 3.42Å; Q122-R142 HydrophobicContact CB-CB 4.48Å; Q122-R142 PolarHBondContact N-O 3.48Å; Q122-R142 PolarHBondContact O-N 2.77Å
123E90.6Very high84.8Confident34 Ų3454 Ų5416%0.15935%0.351CS..EExtended strand (participates in β ladder)trans-133128.8176.9173.4169.3-166.200109.9T106 V107 Y121 R139 T140 V141T106-E123 CarbonylContact C-O 3.57Å; T106-E123 WeakPolarHBondContact CA-O 3.14Å; T106-E123 WeakPolarHBondContact CG2-O 3.47Å; V107-E123 PolarHBondContact N-O 3.44Å; V107-E123 PolarHBondContact O-N 2.91Å; Y121-E123 HydrophobicContact CE1-CB 3.69Å; Y121-E123 PolarHBondContact OH-OE2 2.83Å; E123-R139 IonicContact OE1-CZ 3.84Å; E123-R139 IonicContact OE1-NE 3.14Å; E123-R139 PolarHBondContact OE1-NE 2.84Å; E123-R139 IonicContact OE1-NH2 2.67Å; E123-R139 PolarHBondContact OE1-NH2 3.4Å; E123-T140 CarbonylContact C-O 3.57Å; E123-T140 VanDerWaalsContact CA-O 3.26Å; E123-T140 WeakPolarHBondContact CA-O 3.47Å; E123-V141 HydrophobicContact CB-CG2 4.33Å; E123-V141 HydrophobicContact CG-CG2 3.96Å
124T86.2Confident85.4Confident1 Ų149.2 Ų49.21%0.00632%0.321CS..EExtended strand (participates in β ladder)trans-121.4134.1176.4-65.50000109.8F20 H23 S105 T106 E126 R139 T140F20-T124 WeakPolarHBondContact CD1-OG1 3.35Å; F20-T124 WeakPolarHBondContact CE1-OG1 3.5Å; H23-T124 HydrophobicContact CB-CG2 4.43Å; S105-T124 CarbonylContact O-C 3.5Å; S105-T124 VanDerWaalsContact O-CA 3.26Å; S105-T124 WeakPolarHBondContact O-CA 3.26Å; T106-T124 WeakPolarHBondContact CB-OG1 3.46Å; T106-T124 WeakPolarHBondContact CG2-OG1 3.49Å; T106-T124 WeakPolarHBondContact OG1-CB 3.2Å; T106-T124 VanDerWaalsContact OG1-CG2 3.32Å; T106-T124 WeakPolarHBondContact OG1-CG2 3.24Å; T106-T124 PolarHBondContact OG1-OG1 3.31Å; T124-E126 HydrophobicContact CG2-CG 3.7Å; T124-R139 CarbonylContact O-C 3.5Å; T124-R139 VanDerWaalsContact O-CA 3.28Å; T124-R139 WeakPolarHBondContact O-CA 3.26Å; T124-T140 PolarHBondContact N-O 3.47Å; T124-T140 PolarHBondContact O-N 2.83Å
125S88.9Confident86.3Confident53 Ų5349.8 Ų49.837%0.37130%0.304SS..EExtended strand (participates in β ladder)trans-125.8124.2171.2-175.40000109.3S104 S105 R138S104-S125 CarbonylContact C-O 3.53Å; S104-S125 WeakPolarHBondContact CA-O 3.48Å; S105-S125 PolarHBondContact N-O 3.08Å; S105-S125 PolarHBondContact O-N 2.94Å; S105-S125 PolarHBondContact OG-O 2.89Å; S105-S125 VanDerWaalsContact OG-O 3.14Å; S125-R138 CarbonylContact C-O 3.57Å; S125-R138 WeakPolarHBondContact CA-O 3.41Å
126E87Confident87.2Confident7 Ų744.8 Ų44.83%0.03328%0.276CS..EExtended strand (participates in β ladder)trans-123.8144.4-179.1-42.6-166.3138.300110.5F102 S103 S104 T124 T137 R138F102-E126 HydrophobicContact CE2-CB 4.19Å; S103-E126 CarbonylContact O-C 3.58Å; S103-E126 VanDerWaalsContact O-CA 3.24Å; S103-E126 WeakPolarHBondContact O-CA 3.35Å; S104-E126 PolarHBondContact OG-OE1 2.82Å; T124-E126 HydrophobicContact CG2-CG 3.7Å; E126-T137 CarbonylContact O-C 3.6Å; E126-T137 WeakPolarHBondContact O-CA 2.87Å; E126-R138 HydrophobicContact CB-CB 4.23Å; E126-R138 PolarHBondContact N-O 3.16Å; E126-R138 PolarHBondContact O-N 2.7Å
127M88.1Confident87.9Confident53 Ų5343.8 Ų43.826%0.26126%0.259SS..EExtended strand (participates in β ladder)trans-137.9129.3175.6-173.9175.7-78.500109.4F102 S103 R135 E136 T137F102-M127 CarbonylContact C-O 3.53Å; F102-M127 WeakPolarHBondContact CA-O 3.13Å; S103-M127 PolarHBondContact N-O 2.88Å; S103-M127 PolarHBondContact O-N 2.81Å; M127-R135 HydrophobicContact CG-CG 3.95Å; M127-R135 HydrophobicContact SD-CG 4.4Å; M127-E136 CarbonylContact C-O 3.54Å; M127-E136 VanDerWaalsContact CA-O 3.31Å; M127-E136 WeakPolarHBondContact CA-O 3.47Å; M127-T137 HydrophobicContact CE-CG2 3.73Å; M127-T137 HydrophobicContact CG-CG2 4.33Å
128R87.2Confident88.3Confident64 Ų6440.4 Ų40.424%0.24223%0.226CC..EExtended strand (participates in β ladder)trans-118129.9171.9-67.3173.1-179.4-79-5.1108.6T101 F102 R135 E136T101-R128 CarbonylContact O-C 3.49Å; T101-R128 VanDerWaalsContact O-CA 3.25Å; T101-R128 WeakPolarHBondContact O-CA 3.31Å; F102-R128 HydrophobicContact CB-CG 4.42Å; F102-R128 HydrophobicContact CD2-CG 3.49Å; F102-R128 VanDerWaalsContact CD2-CG 3.49Å; F102-R128 HydrophobicContact CE2-CG 4.23Å; F102-R128 VanDerWaalsContact CE2-NH2 3.26Å; F102-R128 HydrophobicContact CG-CG 4.4Å; R128-R135 CarbonylContact O-C 3.49Å; R128-R135 WeakPolarHBondContact O-CA 3.2Å; R128-E136 HydrophobicContact CB-CB 4.2Å; R128-E136 PolarHBondContact N-O 3.36Å; R128-E136 PolarHBondContact O-N 2.85Å
129S88.5Confident88.6Confident32 Ų3243.9 Ų43.922%0.22423%0.233CC..EExtended strand (participates in β ladder)trans-122142.1176.3-58.40000109.6Q100 T101 I134Q100-S129 CarbonylContact C-O 3.44Å; Q100-S129 VanDerWaalsContact CA-O 3.29Å; Q100-S129 WeakPolarHBondContact CA-O 3.36Å; T101-S129 PolarHBondContact N-O 2.88Å; T101-S129 PolarHBondContact O-N 2.58Å; S129-I134 CarbonylContact C-O 3.59Å; S129-I134 WeakPolarHBondContact CA-O 3.18Å
130A85.5Confident88.8Confident18 Ų1840.1 Ų40.115%0.14922%0.217CC..EExtended strand (participates in β ladder)trans-134.8160.117600000110.9Q100 I134 F203Q100-A130 HydrophobicContact CG-CB 4.26Å; A130-I134 HydrophobicContact CB-CB 4.12Å; A130-I134 HydrophobicContact CB-CG2 4.29Å; A130-I134 PolarHBondContact N-O 3.29Å; A130-I134 PolarHBondContact O-N 2.9Å; A130-F203 HydrophobicContact CB-CD1 4.49Å; A130-F203 HydrophobicContact CB-CD2 3.96Å; A130-F203 HydrophobicContact CB-CE2 4.2Å; A130-F203 HydrophobicContact CB-CG 4.11Å
131P84.7Confident89Confident31 Ų3138.9 Ų38.920%0.20121%0.21CC..THydrogen-bonded Turntrans-57.8147.4179-24.336.4000111.6N98 C99 I134N98-P131 VanDerWaalsContact C-CG 3.47Å; N98-P131 HydrophobicContact CB-CG 4.29Å; N98-P131 WeakPolarHBondContact OD1-CG 3.45Å; C99-P131 WeakPolarHBondContact O-CD 3.48Å; P131-I134 WeakPolarHBondContact O-CD1 3.44Å
132G83.8Confident89Confident49 Ų4939.7 Ų39.751%0.50521%0.213SC..THydrogen-bonded Turntrans95.95.2-179.200000115
133G87.4Confident89Confident38 Ų3840.3 Ų40.339%0.39222%0.217SC..THydrogen-bonded Turntrans86.418-179.300000113.3R158G133-R158 PolarHBondContact O-N 2.85Å
134I91Very high88.8Confident11 Ų1141 Ų416%0.05623%0.225CC..EExtended strand (participates in β ladder)trans-83.5126.8179.5-61.4161.2000108.3S129 A130 P131 H156 W196 E199 T200 F203S129-I134 CarbonylContact C-O 3.59Å; S129-I134 WeakPolarHBondContact CA-O 3.18Å; A130-I134 HydrophobicContact CB-CB 4.12Å; A130-I134 HydrophobicContact CB-CG2 4.29Å; A130-I134 PolarHBondContact N-O 3.29Å; A130-I134 PolarHBondContact O-N 2.9Å; P131-I134 WeakPolarHBondContact O-CD1 3.44Å; I134-H156 CarbonylContact C-O 3.43Å; I134-H156 WeakPolarHBondContact CA-O 3.19Å; I134-W196 HydrophobicContact CG2-CE3 4.29Å; I134-W196 HydrophobicContact CG2-CH2 3.89Å; I134-W196 HydrophobicContact CG2-CZ3 3.55Å; I134-E199 HydrophobicContact CD1-CB 3.63Å; I134-E199 HydrophobicContact CD1-CG 4.46Å; I134-E199 HydrophobicContact CG1-CB 4.2Å; I134-E199 WeakPolarHBondContact CG1-OE2 3.33Å; I134-T200 HydrophobicContact CG2-CG2 3.88Å; I134-F203 HydrophobicContact CD1-CD2 3.85Å; I134-F203 HydrophobicContact CD1-CE2 3.48Å; I134-F203 VanDerWaalsContact CD1-CE2 3.48Å
135R92Very high88.8Confident75 Ų7544.6 Ų44.628%0.28324%0.244SC..EExtended strand (participates in β ladder)trans-142.7133.9173.9179.1-179.769.2-177.4-1.9111.4E91 M127 R128 T137 H156 W196E91-R135 IonicContact OE1-NH1 3.49Å; M127-R135 HydrophobicContact CG-CG 3.95Å; M127-R135 HydrophobicContact SD-CG 4.4Å; R128-R135 CarbonylContact O-C 3.49Å; R128-R135 WeakPolarHBondContact O-CA 3.2Å; R135-T137 HydrophobicContact CG-CG2 4.36Å; R135-H156 HydrophobicContact CB-CB 4.05Å; R135-H156 PolarHBondContact N-O 3.23Å; R135-H156 PolarHBondContact NH2-ND1 3.49Å; R135-H156 WeakPolarHBondContact O-CA 3.48Å; R135-H156 VanDerWaalsContact O-CB 3.26Å; R135-H156 WeakPolarHBondContact O-CB 3.48Å; R135-H156 PolarHBondContact O-CD2 3.38Å; R135-H156 PolarHBondContact O-N 3.04Å; R135-W196 VanDerWaalsContact O-CH2 3.23Å; R135-W196 WeakPolarHBondContact O-CH2 3.42Å; R135-W196 WeakPolarHBondContact O-CZ3 3.43Å
136E91Very high88.7Confident51 Ų5144.1 Ų44.124%0.23824%0.241CC..EExtended strand (participates in β ladder)trans-109.7130.7172-170.1-176.2134.100108.4M127 R128 G154 W196M127-E136 CarbonylContact C-O 3.54Å; M127-E136 VanDerWaalsContact CA-O 3.31Å; M127-E136 WeakPolarHBondContact CA-O 3.47Å; R128-E136 HydrophobicContact CB-CB 4.2Å; R128-E136 PolarHBondContact N-O 3.36Å; R128-E136 PolarHBondContact O-N 2.85Å; E136-G154 CarbonylContact C-O 3.59Å; E136-G154 WeakPolarHBondContact CA-O 3.36Å; E136-W196 HydrophobicContact CB-CH2 3.8Å; E136-W196 HydrophobicContact CB-CZ2 3.89Å; E136-W196 HydrophobicContact CG-CH2 4.45Å; E136-W196 HydrophobicContact CG-CZ2 4.09Å
137T91.5Very high88.7Confident32 Ų3244.1 Ų44.120%0.19624%0.243CC..EExtended strand (participates in β ladder)trans-117.5128.4174.553.50000109.1E126 M127 R135 I153 G154 H156E126-T137 CarbonylContact O-C 3.6Å; E126-T137 WeakPolarHBondContact O-CA 2.87Å; M127-T137 HydrophobicContact CE-CG2 3.73Å; M127-T137 HydrophobicContact CG-CG2 4.33Å; R135-T137 HydrophobicContact CG-CG2 4.36Å; T137-I153 CarbonylContact O-C 3.55Å; T137-I153 WeakPolarHBondContact O-CA 3.16Å; T137-G154 PolarHBondContact N-O 3.38Å; T137-G154 PolarHBondContact O-N 3.11Å; T137-G154 WeakPolarHBondContact OG1-CA 3.32Å; T137-G154 PolarHBondContact OG1-O 3.43Å; T137-H156 PolarHBondContact OG1-NE2 2.79Å; T137-H156 VanDerWaalsContact OG1-NE2 3.08Å
138R90.5Very high88.9Confident21 Ų2144.2 Ų44.28%0.07924%0.244CC..EExtended strand (participates in β ladder)trans-125.3128.1175.5-176.2-177-174.6-178.111109.7P19 S125 E126 M151 S152 I153P19-R138 VanDerWaalsContact CA-NH2 3.33Å; S125-R138 CarbonylContact C-O 3.57Å; S125-R138 WeakPolarHBondContact CA-O 3.41Å; E126-R138 HydrophobicContact CB-CB 4.23Å; E126-R138 PolarHBondContact N-O 3.16Å; E126-R138 PolarHBondContact O-N 2.7Å; R138-M151 VanDerWaalsContact NE-CE 3.32Å; R138-M151 PolarHBondContact NH2-SD 3.15Å; R138-M151 VanDerWaalsContact NH2-SD 3.41Å; R138-S152 CarbonylContact C-O 3.54Å; R138-S152 VanDerWaalsContact CA-O 3.29Å; R138-S152 WeakPolarHBondContact CA-O 3.05Å; R138-I153 HydrophobicContact CG-CG1 4.2Å
139R91.3Very high89.1Confident125 Ų12542.7 Ų42.747%0.47224%0.24SC..EExtended strand (participates in β ladder)trans-125.4133.5173.6-172.2178.8-179.9-161.80.9109.5E123 T124 M151 S152E123-R139 IonicContact OE1-CZ 3.84Å; E123-R139 IonicContact OE1-NE 3.14Å; E123-R139 PolarHBondContact OE1-NE 2.84Å; E123-R139 IonicContact OE1-NH2 2.67Å; E123-R139 PolarHBondContact OE1-NH2 3.4Å; T124-R139 CarbonylContact O-C 3.5Å; T124-R139 VanDerWaalsContact O-CA 3.28Å; T124-R139 WeakPolarHBondContact O-CA 3.26Å; R139-M151 CarbonylContact O-C 3.55Å; R139-M151 WeakPolarHBondContact O-CA 3.43Å; R139-S152 PolarHBondContact N-O 2.81Å; R139-S152 PolarHBondContact O-N 3.36Å
140T90.5Very high89.3Confident8 Ų843.2 Ų43.25%0.04924%0.238CC..EExtended strand (participates in β ladder)trans-132.7135175.9-49.10000109.3P19 F20 E123 T124 Q150 M151P19-T140 HydrophobicContact CB-CG2 3.29Å; P19-T140 VanDerWaalsContact CB-OG1 3.3Å; P19-T140 WeakPolarHBondContact CB-OG1 3.22Å; P19-T140 HydrophobicContact CG-CG2 3.37Å; F20-T140 HydrophobicContact CE1-CG2 4.39Å; F20-T140 HydrophobicContact CE2-CG2 4.41Å; F20-T140 HydrophobicContact CZ-CG2 3.94Å; E123-T140 CarbonylContact C-O 3.57Å; E123-T140 VanDerWaalsContact CA-O 3.26Å; E123-T140 WeakPolarHBondContact CA-O 3.47Å; T124-T140 PolarHBondContact N-O 3.47Å; T124-T140 PolarHBondContact O-N 2.83Å; T140-Q150 CarbonylContact C-O 3.58Å; T140-Q150 VanDerWaalsContact CA-O 3.28Å; T140-Q150 WeakPolarHBondContact CA-O 3.3Å; T140-Q150 WeakPolarHBondContact CG2-O 3.28Å; T140-M151 HydrophobicContact CG2-CB 4.44Å
141V92Very high89.6Confident14 Ų1442.5 Ų42.59%0.08523%0.232CC..EExtended strand (participates in β ladder)trans-126.3134.5175.4-177.70000108.3Y121 Q122 E123 E149 Q150Y121-V141 HydrophobicContact CE2-CG1 3.79Å; Q122-V141 CarbonylContact O-C 3.59Å; Q122-V141 WeakPolarHBondContact O-CA 3.42Å; E123-V141 HydrophobicContact CB-CG2 4.33Å; E123-V141 HydrophobicContact CG-CG2 3.96Å; V141-E149 CarbonylContact O-C 3.47Å; V141-E149 WeakPolarHBondContact O-CA 3.11Å; V141-Q150 HydrophobicContact CB-CB 4.48Å; V141-Q150 PolarHBondContact N-O 3.16Å; V141-Q150 PolarHBondContact O-N 2.92Å
142R90.2Very high90Very high94 Ų9441.9 Ų41.936%0.35523%0.229SC..EExtended strand (participates in β ladder)trans-130.2116.2171169.8178-82.4173.4-5107.7F20 Y121 Q122 E149F20-R142 HydrophobicContact CE2-CB 4.11Å; F20-R142 HydrophobicContact CZ-CB 4.1Å; Y121-R142 CarbonylContact C-O 3.54Å; Y121-R142 WeakPolarHBondContact CA-O 3.43Å; Q122-R142 HydrophobicContact CB-CB 4.48Å; Q122-R142 PolarHBondContact N-O 3.48Å; Q122-R142 PolarHBondContact O-N 2.77Å; R142-E149 HydrophobicContact CB-CG 4.44Å; R142-E149 HydrophobicContact CG-CG 4.24Å; R142-E149 IonicContact CZ-OE1 2.79Å; R142-E149 IonicContact NE-OE1 3.14Å; R142-E149 PolarHBondContact NE-OE1 3.29Å; R142-E149 IonicContact NH2-OE1 2.8Å; R142-E149 PolarHBondContact NH2-OE1 3.21Å
143D90.3Very high90.5Very high36 Ų3641 Ų4119%0.19321%0.212CC..EExtended strand (participates in β ladder)trans-125.7106.6178.2177.914000109.9Y121 D145 S146 G147 L148Y121-D143 HydrophobicContact CD2-CB 3.85Å; Y121-D143 HydrophobicContact CE2-CB 4.33Å; D143-D145 VanDerWaalsContact C-N 3.29Å; D143-D145 PolarHBondContact O-N 3.07Å; D143-D145 WeakPolarHBondContact OD1-CB 3.31Å; D143-D145 PolarHBondContact OD1-N 2.74Å; D143-S146 WeakPolarHBondContact CB-OG 3.38Å; D143-S146 PolarHBondContact OD1-N 2.95Å; D143-S146 VanDerWaalsContact OD2-CB 3.26Å; D143-S146 WeakPolarHBondContact OD2-CB 3.23Å; D143-S146 PolarHBondContact OD2-N 3.49Å; D143-S146 PolarHBondContact OD2-OG 3.02Å; D143-G147 CarbonylContact O-C 3.52Å; D143-G147 VanDerWaalsContact O-CA 3.26Å; D143-G147 WeakPolarHBondContact O-CA 3.32Å; D143-G147 PolarHBondContact O-N 3.31Å; D143-L148 PolarHBondContact N-O 3.02Å; D143-L148 PolarHBondContact O-N 2.91Å; D143-L148 VanDerWaalsContact O-N 3.08Å
144S87.4Confident90.8Very high49 Ų4939.1 Ų39.134%0.34319%0.193SC..THydrogen-bonded Turntrans-73-19.3176.561.30000113.7K119 V120 R171K119-S144 VanDerWaalsContact CA-OG 3.32Å; K119-S144 WeakPolarHBondContact CA-OG 3.4Å; V120-S144 PolarHBondContact N-OG 3.41Å; V120-S144 PolarHBondContact O-N 2.92Å; V120-S144 PolarHBondContact O-OG 3.31Å; S144-R171 PolarHBondContact O-NH2 2.9Å; S144-R171 VanDerWaalsContact O-NH2 3.16Å
145D86.3Confident91Very high76 Ų7640.8 Ų40.841%0.40620%0.201SC..THydrogen-bonded Turntrans-79.8-27.5179.5-164.939.9000112.5K119 D143 R171K119-D145 HydrophobicContact CD-CB 4.24Å; K119-D145 WeakPolarHBondContact CD-OD1 3.34Å; K119-D145 WeakPolarHBondContact CE-OD1 3.38Å; K119-D145 IonicContact NZ-OD1 2.71Å; K119-D145 PolarHBondContact NZ-OD1 2.92Å; K119-D145 IonicContact NZ-OD2 3.65Å; D143-D145 VanDerWaalsContact C-N 3.29Å; D143-D145 PolarHBondContact O-N 3.07Å; D143-D145 WeakPolarHBondContact OD1-CB 3.31Å; D143-D145 PolarHBondContact OD1-N 2.74Å; D145-R171 VanDerWaalsContact C-NH2 3.29Å; D145-R171 PolarHBondContact O-NH1 3.46Å; D145-R171 PolarHBondContact O-NH2 3.14Å
146S86.3Confident91.1Very high43 Ų4338.2 Ų38.230%0.30119%0.192SC..THydrogen-bonded Turntrans-96.2-23.2167.360.30000113D143 L148 R171D143-S146 WeakPolarHBondContact CB-OG 3.38Å; D143-S146 PolarHBondContact OD1-N 2.95Å; D143-S146 VanDerWaalsContact OD2-CB 3.26Å; D143-S146 WeakPolarHBondContact OD2-CB 3.23Å; D143-S146 PolarHBondContact OD2-N 3.49Å; D143-S146 PolarHBondContact OD2-OG 3.02Å; S146-L148 VanDerWaalsContact C-N 3.31Å; S146-L148 VanDerWaalsContact OG-CB 3.27Å; S146-L148 WeakPolarHBondContact OG-CB 3.29Å; S146-L148 PolarHBondContact OG-N 3.49Å; S146-R171 WeakPolarHBondContact O-CD 3.35Å
147G87.8Confident91.2Very high7 Ų735.8 Ų35.87%0.07218%0.18CC..THydrogen-bonded Turntrans83.95.2-169.300000113.4D143 N169 H170D143-G147 CarbonylContact O-C 3.52Å; D143-G147 VanDerWaalsContact O-CA 3.26Å; D143-G147 WeakPolarHBondContact O-CA 3.32Å; D143-G147 PolarHBondContact O-N 3.31Å; G147-N169 CarbonylContact O-C 3.6Å; G147-N169 WeakPolarHBondContact O-CA 3.26Å; G147-H170 PolarHBondContact O-N 2.74Å
148L91Very high91.2Very high54 Ų5441.5 Ų41.528%0.28320%0.198SC..EExtended strand (participates in β ladder)trans-78.9127.9-177.6-176.968.5000111.5D143 S146D143-L148 PolarHBondContact N-O 3.02Å; D143-L148 PolarHBondContact O-N 2.91Å; D143-L148 VanDerWaalsContact O-N 3.08Å; S146-L148 VanDerWaalsContact C-N 3.31Å; S146-L148 VanDerWaalsContact OG-CB 3.27Å; S146-L148 WeakPolarHBondContact OG-CB 3.29Å; S146-L148 PolarHBondContact OG-N 3.49Å
149E92.2Very high91.4Very high32 Ų3245.4 Ų45.415%0.1522%0.221CC..EExtended strand (participates in β ladder)trans-119.3125.7162.3-70.2-170.9155.800108.7V141 R142 S167 R168 H170V141-E149 CarbonylContact O-C 3.47Å; V141-E149 WeakPolarHBondContact O-CA 3.11Å; R142-E149 HydrophobicContact CB-CG 4.44Å; R142-E149 HydrophobicContact CG-CG 4.24Å; R142-E149 IonicContact CZ-OE1 2.79Å; R142-E149 IonicContact NE-OE1 3.14Å; R142-E149 PolarHBondContact NE-OE1 3.29Å; R142-E149 IonicContact NH2-OE1 2.8Å; R142-E149 PolarHBondContact NH2-OE1 3.21Å; E149-S167 CarbonylContact O-C 3.49Å; E149-S167 VanDerWaalsContact O-CA 3.28Å; E149-S167 WeakPolarHBondContact O-CA 3.24Å; E149-R168 PolarHBondContact N-O 2.8Å; E149-R168 PolarHBondContact O-N 3.14Å; E149-H170 IonicContact OE1-NE2 2.88Å; E149-H170 IonicContact OE2-CD2 3.78Å; E149-H170 IonicContact OE2-CE1 3.89Å; E149-H170 IonicContact OE2-NE2 3.5Å; E149-H170 PolarHBondContact OE2-NE2 2.66Å
150Q92.2Very high91.6Very high43 Ų4342.1 Ų42.120%0.20121%0.208CC..EExtended strand (participates in β ladder)trans-133.5141.3-178.9-176.8175.8-55.600110.4T140 V141 Q165 R166T140-Q150 CarbonylContact C-O 3.58Å; T140-Q150 VanDerWaalsContact CA-O 3.28Å; T140-Q150 WeakPolarHBondContact CA-O 3.3Å; T140-Q150 WeakPolarHBondContact CG2-O 3.28Å; V141-Q150 HydrophobicContact CB-CB 4.48Å; V141-Q150 PolarHBondContact N-O 3.16Å; V141-Q150 PolarHBondContact O-N 2.92Å; Q150-Q165 HydrophobicContact CG-CG 4.1Å; Q150-Q165 VanDerWaalsContact NE2-CD 3.34Å; Q150-R166 CarbonylContact C-O 3.56Å; Q150-R166 WeakPolarHBondContact CA-O 3.29Å
151M93.1Very high91.8Very high4 Ų441.9 Ų41.92%0.0221%0.207CC..EExtended strand (participates in β ladder)trans-136.4134.6172.7-178.1163.814900109.9M14 P19 R138 R139 T140 I153 Q165 R166M14-M151 HydrophobicContact CB-CE 4.28Å; M14-M151 VanDerWaalsContact O-SD 3.36Å; M14-M151 HydrophobicContact SD-CE 4.38Å; P19-M151 HydrophobicContact CB-SD 4.26Å; R138-M151 VanDerWaalsContact NE-CE 3.32Å; R138-M151 PolarHBondContact NH2-SD 3.15Å; R138-M151 VanDerWaalsContact NH2-SD 3.41Å; R139-M151 CarbonylContact O-C 3.55Å; R139-M151 WeakPolarHBondContact O-CA 3.43Å; T140-M151 HydrophobicContact CG2-CB 4.44Å; M151-I153 HydrophobicContact CE-CD1 3.31Å; M151-I153 HydrophobicContact CE-CG1 3.67Å; M151-Q165 CarbonylContact O-C 3.45Å; M151-Q165 WeakPolarHBondContact O-CA 3.32Å; M151-R166 PolarHBondContact N-O 2.75Å; M151-R166 PolarHBondContact O-N 3.41Å
152S92.6Very high92Very high18 Ų1842 Ų4213%0.12621%0.206CC..EExtended strand (participates in β ladder)trans-125.8133.9173.21770000109.4R138 R139 I163 L164R138-S152 CarbonylContact C-O 3.54Å; R138-S152 VanDerWaalsContact CA-O 3.29Å; R138-S152 WeakPolarHBondContact CA-O 3.05Å; R139-S152 PolarHBondContact N-O 2.81Å; R139-S152 PolarHBondContact O-N 3.36Å; S152-I163 WeakPolarHBondContact OG-CG2 3.27Å; S152-L164 CarbonylContact C-O 3.5Å; S152-L164 VanDerWaalsContact CA-O 3.23Å; S152-L164 WeakPolarHBondContact CA-O 3.38Å
153I93.2Very high92.2Very high29 Ų2939 Ų3915%0.14920%0.197CC..EExtended strand (participates in β ladder)trans-122126.1170.1-63.6170.5000107.3M14 T137 R138 M151 H155 I163 L164M14-I153 HydrophobicContact SD-CD1 3.84Å; T137-I153 CarbonylContact O-C 3.55Å; T137-I153 WeakPolarHBondContact O-CA 3.16Å; R138-I153 HydrophobicContact CG-CG1 4.2Å; M151-I153 HydrophobicContact CE-CD1 3.31Å; M151-I153 HydrophobicContact CE-CG1 3.67Å; I153-H155 WeakPolarHBondContact CG2-NE2 3.42Å; I153-I163 CarbonylContact O-C 3.49Å; I153-I163 WeakPolarHBondContact O-CA 3.44Å; I153-L164 PolarHBondContact N-O 2.79Å; I153-L164 PolarHBondContact O-N 2.77Å
154G94.3Very high92.3Very high0 Ų039.3 Ų39.30%020%0.199CC..EExtended strand (participates in β ladder)trans-115.3125.5173.200000110.7E136 T137 H156 H162E136-G154 CarbonylContact C-O 3.59Å; E136-G154 WeakPolarHBondContact CA-O 3.36Å; T137-G154 PolarHBondContact N-O 3.38Å; T137-G154 PolarHBondContact O-N 3.11Å; T137-G154 WeakPolarHBondContact OG1-CA 3.32Å; T137-G154 PolarHBondContact OG1-O 3.43Å; G154-H156 PolarHBondContact O-CD2 3.18Å; G154-H162 WeakPolarHBondContact CA-O 3.18Å
155H95.4Very high92.6Very high46 Ų4639.4 Ų39.421%0.21319%0.194CC..EExtended strand (participates in β ladder)trans-100.5124.8171.1-63156.7000108.5I153 A161 H162 F192 W196I153-H155 WeakPolarHBondContact CG2-NE2 3.42Å; H155-A161 CarbonylContact O-C 3.56Å; H155-A161 WeakPolarHBondContact O-CA 3.26Å; H155-A161 WeakPolarHBondContact O-CB 3.42Å; H155-H162 PolarHBondContact N-O 2.8Å; H155-H162 PolarHBondContact O-N 2.83Å; H155-F192 HydrophobicContact CB-CE1 3.91Å; H155-F192 HydrophobicContact CB-CZ 4.35Å; H155-F192 WeakPolarHBondContact O-CZ 3.4Å; H155-W196 HydrophobicContact CB-CD2 3.57Å; H155-W196 HydrophobicContact CB-CE3 3.81Å; H155-W196 HydrophobicContact CB-CG 4.02Å; H155-W196 HydrophobicContact CB-CH2 4.15Å; H155-W196 HydrophobicContact CB-CZ2 3.93Å; H155-W196 HydrophobicContact CB-CZ3 4.08Å; H155-W196 AromaticContact CD2-CE2 3.27Å; H155-W196 AromaticContact CD2-CZ2 3.28Å; H155-W196 WeakPolarHBondContact CD2-CZ2 3.28Å; H155-W196 AromaticContact CD2-NE1 3.29Å; H155-W196 PolarHBondContact CD2-NE1 3.08Å; H155-W196 VanDerWaalsContact CD2-NE1 3.29Å; H155-W196 AromaticContact CE1-CD1 3.8Å; H155-W196 AromaticContact CE1-NE1 3.43Å; H155-W196 PolarHBondContact CE1-NE1 2.85Å; H155-W196 AromaticContact CG-CD1 3.75Å; H155-W196 AromaticContact CG-CD2 3.73Å; H155-W196 AromaticContact CG-CE2 3.31Å; H155-W196 AromaticContact CG-CG 4Å; H155-W196 AromaticContact CG-CZ2 3.7Å; H155-W196 AromaticContact CG-NE1 3.32Å; H155-W196 VanDerWaalsContact CG-NE1 3.32Å; H155-W196 AromaticContact ND1-CD1 3.51Å; H155-W196 AromaticContact ND1-CE2 3.9Å; H155-W196 AromaticContact ND1-NE1 3.41Å; H155-W196 PolarHBondContact ND1-NE1 3.49Å; H155-W196 AromaticContact NE2-CE2 3.84Å; H155-W196 AromaticContact NE2-NE1 3.34Å; H155-W196 PolarHBondContact NE2-NE1 2.81Å
156H94.7Very high92.9Very high21 Ų2137 Ų3710%0.09718%0.179CC..EExtended strand (participates in β ladder)trans-123.8126-176.2-56.4-116.8000109.9I134 R135 T137 G154 R160 A161 W196I134-H156 CarbonylContact C-O 3.43Å; I134-H156 WeakPolarHBondContact CA-O 3.19Å; R135-H156 HydrophobicContact CB-CB 4.05Å; R135-H156 PolarHBondContact N-O 3.23Å; R135-H156 PolarHBondContact NH2-ND1 3.49Å; R135-H156 WeakPolarHBondContact O-CA 3.48Å; R135-H156 VanDerWaalsContact O-CB 3.26Å; R135-H156 WeakPolarHBondContact O-CB 3.48Å; R135-H156 PolarHBondContact O-CD2 3.38Å; R135-H156 PolarHBondContact O-N 3.04Å; T137-H156 PolarHBondContact OG1-NE2 2.79Å; T137-H156 VanDerWaalsContact OG1-NE2 3.08Å; G154-H156 PolarHBondContact O-CD2 3.18Å; H156-R160 CarbonylContact C-O 3.52Å; H156-R160 WeakPolarHBondContact CA-O 3.42Å; H156-A161 HydrophobicContact CB-CB 4.3Å; H156-W196 VanDerWaalsContact O-CZ3 3.29Å; H156-W196 WeakPolarHBondContact O-CZ3 3.26Å
157I93.1Very high93.1Very high0 Ų035.6 Ų35.60%017%0.169CC..EExtended strand (participates in β ladder)trans-120.2107.2168.2-58.9167.2000107.3D159 R160 F192 E195 W196I157-D159 PolarHBondContact O-N 2.77Å; I157-D159 VanDerWaalsContact O-N 3.07Å; I157-R160 PolarHBondContact N-O 2.83Å; I157-R160 PolarHBondContact O-N 2.8Å; I157-F192 HydrophobicContact CB-CE2 3.86Å; I157-F192 HydrophobicContact CB-CZ 4.41Å; I157-F192 HydrophobicContact CD1-CD2 4.08Å; I157-F192 HydrophobicContact CD1-CE2 3.67Å; I157-F192 HydrophobicContact CD1-CZ 4.05Å; I157-F192 HydrophobicContact CG1-CE2 3.81Å; I157-F192 HydrophobicContact CG1-CZ 4.02Å; I157-E195 HydrophobicContact CD1-CB 4.16Å; I157-E195 HydrophobicContact CD1-CG 3.83Å; I157-W196 HydrophobicContact CD1-CB 4.06Å; I157-W196 HydrophobicContact CD1-CE3 4.3Å; I157-W196 HydrophobicContact CG1-CE3 3.84Å; I157-W196 HydrophobicContact CG1-CZ3 4.46Å
158R91.4Very high93.3Very high151 Ų15139.9 Ų39.957%0.5718%0.183SC*.THydrogen-bonded Turntrans55.7-107.8-175.5-54.9-179.9-171.686.911.9110.6G133G133-R158 PolarHBondContact O-N 2.85Å
159D93.6Very high93.3Very high104 Ų10439.2 Ų39.256%0.55618%0.18SC*.THydrogen-bonded Turntrans-96.7-8.9-178.661.3-46.1000113.6I157 N183I157-D159 PolarHBondContact O-N 2.77Å; I157-D159 VanDerWaalsContact O-N 3.07Å; D159-N183 PolarHBondContact O-ND2 2.79Å
160R95.7Very high92.9Very high56 Ų5642.4 Ų42.421%0.21119%0.194CC..EExtended strand (participates in β ladder)trans-99.1139.1-178.1-61.3-173.5-54153.60.6110.8H156 I157 I182 N183 L184 F192 E195H156-R160 CarbonylContact C-O 3.52Å; H156-R160 WeakPolarHBondContact CA-O 3.42Å; I157-R160 PolarHBondContact N-O 2.83Å; I157-R160 PolarHBondContact O-N 2.8Å; R160-I182 WeakPolarHBondContact CA-O 3.34Å; R160-N183 HydrophobicContact CG-CB 4.32Å; R160-L184 HydrophobicContact CB-CD1 3.92Å; R160-L184 HydrophobicContact CB-CD2 4.12Å; R160-L184 HydrophobicContact CB-CG 3.81Å; R160-L184 HydrophobicContact CG-CD2 4.21Å; R160-L184 HydrophobicContact CG-CG 4.18Å; R160-F192 HydrophobicContact CB-CD2 4.28Å; R160-F192 HydrophobicContact CB-CE2 3.91Å; R160-E195 IonicContact CZ-OE2 3.81Å; R160-E195 IonicContact NH1-OE2 3.5Å; R160-E195 IonicContact NH2-OE1 2.58Å; R160-E195 PolarHBondContact NH2-OE1 2.83Å; R160-E195 IonicContact NH2-OE2 3.86Å; R160-E195 PolarHBondContact NH2-OE2 2.84Å
161A95.2Very high92.5Very high2 Ų247.9 Ų47.92%0.01721%0.213CC..EExtended strand (participates in β ladder)trans-146.8144.7175.800000114.3H155 H156 Y181 I182H155-A161 CarbonylContact O-C 3.56Å; H155-A161 WeakPolarHBondContact O-CA 3.26Å; H155-A161 WeakPolarHBondContact O-CB 3.42Å; H156-A161 HydrophobicContact CB-CB 4.3Å; A161-Y181 WeakPolarHBondContact O-CA 3.26Å; A161-I182 HydrophobicContact CB-CB 4.07Å; A161-I182 HydrophobicContact CB-CD1 4.18Å; A161-I182 HydrophobicContact CB-CG1 4.33Å; A161-I182 PolarHBondContact N-O 2.71Å; A161-I182 PolarHBondContact O-N 2.74Å
162H95.7Very high92.3Very high16 Ų1651.7 Ų51.77%0.07424%0.237CC..EExtended strand (participates in β ladder)trans-116.7119.7170.1-178.5-165.8000108.5G154 H155 Y181 F192 D193G154-H162 WeakPolarHBondContact CA-O 3.18Å; H155-H162 PolarHBondContact N-O 2.8Å; H155-H162 PolarHBondContact O-N 2.83Å; H162-Y181 HydrophobicContact CB-CD1 4.41Å; H162-Y181 AromaticContact CD2-CD1 3.77Å; H162-Y181 AromaticContact CD2-CE1 3.31Å; H162-Y181 WeakPolarHBondContact CD2-CE1 3.42Å; H162-Y181 AromaticContact CE1-CE1 4Å; H162-Y181 AromaticContact CG-CE1 3.79Å; H162-Y181 AromaticContact NE2-CE1 3.51Å; H162-Y181 AromaticContact NE2-CZ 3.88Å; H162-F192 HydrophobicContact CB-CD1 3.65Å; H162-F192 HydrophobicContact CB-CE1 3.51Å; H162-F192 HydrophobicContact CB-CZ 4.49Å; H162-D193 IonicContact CE1-OD1 2.8Å; H162-D193 IonicContact CE1-OD2 3.04Å; H162-D193 IonicContact CG-OD1 2.85Å; H162-D193 IonicContact ND1-OD1 3.25Å; H162-D193 PolarHBondContact ND1-OD1 3.09Å; H162-D193 IonicContact ND1-OD2 2.88Å; H162-D193 PolarHBondContact ND1-OD2 3.35Å
163I94.5Very high92.1Very high32 Ų3253.2 Ų53.216%0.16426%0.256CS..EExtended strand (participates in β ladder)trans-116.8117.7-177-54.9172.7000109.1S152 I153 Q179 D180 I182S152-I163 WeakPolarHBondContact OG-CG2 3.27Å; I153-I163 CarbonylContact O-C 3.49Å; I153-I163 WeakPolarHBondContact O-CA 3.44Å; I163-Q179 CarbonylContact O-C 3.53Å; I163-Q179 VanDerWaalsContact O-CA 3.31Å; I163-Q179 WeakPolarHBondContact O-CA 3.13Å; I163-D180 HydrophobicContact CB-CB 4.31Å; I163-D180 PolarHBondContact N-O 3.17Å; I163-D180 PolarHBondContact O-N 2.84Å; I163-I182 HydrophobicContact CD1-CD1 3.92Å
164L93.7Very high91.9Very high43 Ų4355.9 Ų55.923%0.22527%0.27CS..EExtended strand (participates in β ladder)trans-99.3123.2172179.766.5000109M14 S152 I153 E177 Q179M14-L164 HydrophobicContact CE-CD2 3.73Å; M14-L164 HydrophobicContact CE-CG 4.1Å; M14-L164 HydrophobicContact SD-CD2 3.61Å; M14-L164 HydrophobicContact SD-CG 4.43Å; S152-L164 CarbonylContact C-O 3.5Å; S152-L164 VanDerWaalsContact CA-O 3.23Å; S152-L164 WeakPolarHBondContact CA-O 3.38Å; I153-L164 PolarHBondContact N-O 2.79Å; I153-L164 PolarHBondContact O-N 2.77Å; L164-E177 HydrophobicContact CD1-CG 3.8Å; L164-E177 WeakPolarHBondContact CD1-OE1 3.42Å; L164-Q179 HydrophobicContact CD1-CG 3.53Å
165Q93.1Very high91.9Very high51 Ų5158.6 Ų58.624%0.23828%0.283CS..EExtended strand (participates in β ladder)trans-119.3136.2172.7-178.5178.6-66.400109.7Q150 M151 E177 R178Q150-Q165 HydrophobicContact CG-CG 4.1Å; Q150-Q165 VanDerWaalsContact NE2-CD 3.34Å; M151-Q165 CarbonylContact O-C 3.45Å; M151-Q165 WeakPolarHBondContact O-CA 3.32Å; Q165-E177 CarbonylContact O-C 3.54Å; Q165-E177 WeakPolarHBondContact O-CA 3.26Å; Q165-R178 HydrophobicContact CB-CB 4.46Å; Q165-R178 PolarHBondContact N-O 2.77Å; Q165-R178 PolarHBondContact O-N 2.76Å
166R91.3Very high91.7Very high26 Ų2661.4 Ų61.410%0.09830%0.296CS..EExtended strand (participates in β ladder)trans-132.1132.4172.4-168.2164.4174.5-172-10.3110.6D12 M14 F15 Q150 M151 E176D12-R166 IonicContact OD1-CZ 2.77Å; D12-R166 IonicContact OD1-NH1 2.68Å; D12-R166 PolarHBondContact OD1-NH1 2.82Å; D12-R166 IonicContact OD2-CZ 3.17Å; D12-R166 IonicContact OD2-NH1 3.37Å; D12-R166 PolarHBondContact OD2-NH1 2.74Å; D12-R166 IonicContact OD2-NH2 3.46Å; D12-R166 PolarHBondContact OD2-NH2 2.74Å; M14-R166 HydrophobicContact CE-CB 3.72Å; F15-R166 HydrophobicContact CE2-CB 4.45Å; F15-R166 HydrophobicContact CE2-CG 3.8Å; F15-R166 HydrophobicContact CZ-CB 4.31Å; F15-R166 HydrophobicContact CZ-CG 3.94Å; Q150-R166 CarbonylContact C-O 3.56Å; Q150-R166 WeakPolarHBondContact CA-O 3.29Å; M151-R166 PolarHBondContact N-O 2.75Å; M151-R166 PolarHBondContact O-N 3.41Å; R166-E176 CarbonylContact C-O 3.59Å; R166-E176 VanDerWaalsContact CA-O 3.29Å; R166-E176 WeakPolarHBondContact CA-O 3.37Å; R166-E176 WeakPolarHBondContact CG-O 3.26Å
167S91.8Very high91.6Very high12 Ų1264.3 Ų64.38%0.08431%0.31CS..EExtended strand (participates in β ladder)trans-123.5151.1174.760.70000110.5E149 Q175 E176E149-S167 CarbonylContact O-C 3.49Å; E149-S167 VanDerWaalsContact O-CA 3.28Å; E149-S167 WeakPolarHBondContact O-CA 3.24Å; S167-Q175 WeakPolarHBondContact O-CA 3.28Å; S167-E176 PolarHBondContact N-O 3.42Å; S167-E176 PolarHBondContact O-N 2.87Å; S167-E176 WeakPolarHBondContact OG-CB 3.45Å
168R91.6Very high91.6Very high98 Ų9870.9 Ų70.937%0.3733%0.334SS..EExtended strand (participates in β ladder)trans-141.1131.3176.5178.2172.3-174.7-178.13.2108.6E149 D174 Q175E149-R168 PolarHBondContact N-O 2.8Å; E149-R168 PolarHBondContact O-N 3.14Å; R168-D174 CarbonylContact C-O 3.53Å; R168-D174 WeakPolarHBondContact CA-O 3.38Å; R168-Q175 HydrophobicContact CB-CG 4.14Å; R168-Q175 HydrophobicContact CG-CG 3.87Å
169N90.6Very high91.8Very high40 Ų4067.8 Ų67.821%0.21433%0.326CS..EExtended strand (participates in β ladder)trans-105.6114.6172-171.3-29.5000109.5G147 R171 T172 G173 D174G147-N169 CarbonylContact O-C 3.6Å; G147-N169 WeakPolarHBondContact O-CA 3.26Å; N169-R171 VanDerWaalsContact C-N 3.26Å; N169-R171 PolarHBondContact O-N 3.42Å; N169-R171 WeakPolarHBondContact OD1-CB 3.33Å; N169-R171 PolarHBondContact OD1-N 3.01Å; N169-T172 WeakPolarHBondContact CB-OG1 3.48Å; N169-T172 PolarHBondContact OD1-N 2.83Å; N169-G173 CarbonylContact O-C 3.55Å; N169-G173 WeakPolarHBondContact O-CA 3.28Å; N169-G173 PolarHBondContact O-N 2.93Å; N169-D174 PolarHBondContact N-O 2.86Å
170H84.5Confident91.8Very high98 Ų9865.2 Ų65.245%0.45431%0.313SS..THydrogen-bonded Turntrans-71.2-17.6179.9-74.1-79.2000113.9G147 E149G147-H170 PolarHBondContact O-N 2.74Å; E149-H170 IonicContact OE1-NE2 2.88Å; E149-H170 IonicContact OE2-CD2 3.78Å; E149-H170 IonicContact OE2-CE1 3.89Å; E149-H170 IonicContact OE2-NE2 3.5Å; E149-H170 PolarHBondContact OE2-NE2 2.66Å
171R84.2Confident91.8Very high158 Ų15865.4 Ų65.460%0.59631%0.314SS*.THydrogen-bonded Turntrans-84.8-42.2178.3-67.7-173.8177.2160.94.7112.8S144 D145 S146 N169S144-R171 PolarHBondContact O-NH2 2.9Å; S144-R171 VanDerWaalsContact O-NH2 3.16Å; D145-R171 VanDerWaalsContact C-NH2 3.29Å; D145-R171 PolarHBondContact O-NH1 3.46Å; D145-R171 PolarHBondContact O-NH2 3.14Å; S146-R171 WeakPolarHBondContact O-CD 3.35Å; N169-R171 VanDerWaalsContact C-N 3.26Å; N169-R171 PolarHBondContact O-N 3.42Å; N169-R171 WeakPolarHBondContact OD1-CB 3.33Å; N169-R171 PolarHBondContact OD1-N 3.01Å
172T88.5Confident91.7Very high85 Ų8568.9 Ų68.952%0.52133%0.331SS..THydrogen-bonded Turntrans-93.5-21.9-179.762.60000112.5N169 D174N169-T172 WeakPolarHBondContact CB-OG1 3.48Å; N169-T172 PolarHBondContact OD1-N 2.83Å; T172-D174 WeakPolarHBondContact CB-OD2 3.29Å; T172-D174 WeakPolarHBondContact OG1-CB 3.46Å; T172-D174 PolarHBondContact OG1-N 3.49Å; T172-D174 PolarHBondContact OG1-OD2 3.2Å
173G87.6Confident91.7Very high50 Ų5073.4 Ų73.452%0.51536%0.356SS..  trans81.50.8-171.800000113.5N169N169-G173 CarbonylContact O-C 3.55Å; N169-G173 WeakPolarHBondContact O-CA 3.28Å; N169-G173 PolarHBondContact O-N 2.93Å
174D90.2Very high91.6Very high85 Ų8572.5 Ų72.546%0.45535%0.352SS..  trans-67141.6-178.5-61.2-38.5000111R168 N169 T172R168-D174 CarbonylContact C-O 3.53Å; R168-D174 WeakPolarHBondContact CA-O 3.38Å; N169-D174 PolarHBondContact N-O 2.86Å; T172-D174 WeakPolarHBondContact CB-OD2 3.29Å; T172-D174 WeakPolarHBondContact OG1-CB 3.46Å; T172-D174 PolarHBondContact OG1-N 3.49Å; T172-D174 PolarHBondContact OG1-OD2 3.2Å
175Q92.9Very high91.5Very high56 Ų5675.6 Ų75.626%0.26237%0.368SS..EExtended strand (participates in β ladder)trans-132.3133.9174.5-68.9-177.662.100108.4S167 R168S167-Q175 WeakPolarHBondContact O-CA 3.28Å; R168-Q175 HydrophobicContact CB-CG 4.14Å; R168-Q175 HydrophobicContact CG-CG 3.87Å
176E91.9Very high91.5Very high105 Ų10579.5 Ų79.549%0.49139%0.387SS..EExtended strand (participates in β ladder)trans-128.1139.5176.5-53.9-178.9166.600109.7R166 S167R166-E176 CarbonylContact C-O 3.59Å; R166-E176 VanDerWaalsContact CA-O 3.29Å; R166-E176 WeakPolarHBondContact CA-O 3.37Å; R166-E176 WeakPolarHBondContact CG-O 3.26Å; S167-E176 PolarHBondContact N-O 3.42Å; S167-E176 PolarHBondContact O-N 2.87Å; S167-E176 WeakPolarHBondContact OG-CB 3.45Å
177E93.1Very high91.6Very high83 Ų8383.4 Ų83.439%0.38842%0.417SS..EExtended strand (participates in β ladder)trans-122.2134.7169.9-171.6-175.2143.600108.4L164 Q165 Q179L164-E177 HydrophobicContact CD1-CG 3.8Å; L164-E177 WeakPolarHBondContact CD1-OE1 3.42Å; Q165-E177 CarbonylContact O-C 3.54Å; Q165-E177 WeakPolarHBondContact O-CA 3.26Å; E177-Q179 PolarHBondContact OE1-NE2 2.9Å
178R92.7Very high91.6Very high138 Ų13886.8 Ų86.852%0.52143%0.432SS..EExtended strand (participates in β ladder)trans-135136.2180178.9175.6173.8179-4.7109.3Q165 D180Q165-R178 HydrophobicContact CB-CB 4.46Å; Q165-R178 PolarHBondContact N-O 2.77Å; Q165-R178 PolarHBondContact O-N 2.76Å; R178-D180 IonicContact CZ-OD1 3.74Å; R178-D180 VanDerWaalsContact CZ-OD1 3.25Å; R178-D180 IonicContact CZ-OD2 3Å; R178-D180 IonicContact NE-OD1 2.71Å; R178-D180 PolarHBondContact NE-OD1 3.37Å; R178-D180 IonicContact NE-OD2 3.7Å; R178-D180 PolarHBondContact NE-OD2 2.91Å; R178-D180 VanDerWaalsContact NE-OD2 3.17Å; R178-D180 IonicContact NH2-OD1 3.16Å; R178-D180 PolarHBondContact NH2-OD1 2.77Å; R178-D180 IonicContact NH2-OD2 3.63Å; R178-D180 PolarHBondContact NH2-OD2 2.81Å
179Q94.8Very high91.6Very high86 Ų8682.6 Ų82.640%0.40242%0.418SS..EExtended strand (participates in β ladder)trans-118.8129.5173.3-67174.121.300108.1I163 L164 E177 Y181I163-Q179 CarbonylContact O-C 3.53Å; I163-Q179 VanDerWaalsContact O-CA 3.31Å; I163-Q179 WeakPolarHBondContact O-CA 3.13Å; L164-Q179 HydrophobicContact CD1-CG 3.53Å; E177-Q179 PolarHBondContact OE1-NE2 2.9Å; Q179-Y181 HydrophobicContact CB-CE2 4.42Å; Q179-Y181 PolarHBondContact OE1-OH 2.78Å; Q179-Y181 VanDerWaalsContact OE1-OH 3.1Å
180D94.2Very high91.8Very high50 Ų5083.9 Ų83.927%0.26743%0.434SS..EExtended strand (participates in β ladder)trans-120.3139177.1-66.6-42000109.5I163 R178I163-D180 HydrophobicContact CB-CB 4.31Å; I163-D180 PolarHBondContact N-O 3.17Å; I163-D180 PolarHBondContact O-N 2.84Å; R178-D180 IonicContact CZ-OD1 3.74Å; R178-D180 VanDerWaalsContact CZ-OD1 3.25Å; R178-D180 IonicContact CZ-OD2 3Å; R178-D180 IonicContact NE-OD1 2.71Å; R178-D180 PolarHBondContact NE-OD1 3.37Å; R178-D180 IonicContact NE-OD2 3.7Å; R178-D180 PolarHBondContact NE-OD2 2.91Å; R178-D180 VanDerWaalsContact NE-OD2 3.17Å; R178-D180 IonicContact NH2-OD1 3.16Å; R178-D180 PolarHBondContact NH2-OD1 2.77Å; R178-D180 IonicContact NH2-OD2 3.63Å; R178-D180 PolarHBondContact NH2-OD2 2.81Å
181Y94.7Very high92.2Very high60 Ų6082.3 Ų82.324%0.23544%0.438CS..EExtended strand (participates in β ladder)trans-118.6131.6-179.3-57.7-75.8000109.4A161 H162 Q179 L184 E186 A189A161-Y181 WeakPolarHBondContact O-CA 3.26Å; H162-Y181 HydrophobicContact CB-CD1 4.41Å; H162-Y181 AromaticContact CD2-CD1 3.77Å; H162-Y181 AromaticContact CD2-CE1 3.31Å; H162-Y181 WeakPolarHBondContact CD2-CE1 3.42Å; H162-Y181 AromaticContact CE1-CE1 4Å; H162-Y181 AromaticContact CG-CE1 3.79Å; H162-Y181 AromaticContact NE2-CE1 3.51Å; H162-Y181 AromaticContact NE2-CZ 3.88Å; Q179-Y181 HydrophobicContact CB-CE2 4.42Å; Q179-Y181 PolarHBondContact OE1-OH 2.78Å; Q179-Y181 VanDerWaalsContact OE1-OH 3.1Å; Y181-L184 WeakPolarHBondContact CB-O 3.48Å; Y181-E186 HydrophobicContact CD2-CB 4.5Å; Y181-E186 HydrophobicContact CE2-CB 4.09Å; Y181-E186 HydrophobicContact CE2-CG 4.07Å; Y181-A189 HydrophobicContact CD1-CB 4.25Å; Y181-A189 HydrophobicContact CE1-CB 3.33Å
182I94.6Very high92.8Very high75 Ų7574.8 Ų74.839%0.38541%0.41SS..EExtended strand (participates in β ladder)trans-114.6121.7176.3-56.3-179.4000107.5R160 A161 I163 L184R160-I182 WeakPolarHBondContact CA-O 3.34Å; A161-I182 HydrophobicContact CB-CB 4.07Å; A161-I182 HydrophobicContact CB-CD1 4.18Å; A161-I182 HydrophobicContact CB-CG1 4.33Å; A161-I182 PolarHBondContact N-O 2.71Å; A161-I182 PolarHBondContact O-N 2.74Å; I163-I182 HydrophobicContact CD1-CD1 3.92Å; I182-L184 PolarHBondContact O-N 2.81Å
183N94.1Very high93Very high110 Ų11072.5 Ų72.559%0.58839%0.394SS*.SBendtrans52.233.8-177.4-57.8-39.7000113.3D159 R160D159-N183 PolarHBondContact O-ND2 2.79Å; R160-N183 HydrophobicContact CG-CB 4.32Å
184L92.7Very high93.2Very high14 Ų1473.9 Ų73.97%0.07339%0.39CS..  trans-144.3141.9-179-75.8166.9000108.2R160 Y181 I182 E188 F192R160-L184 HydrophobicContact CB-CD1 3.92Å; R160-L184 HydrophobicContact CB-CD2 4.12Å; R160-L184 HydrophobicContact CB-CG 3.81Å; R160-L184 HydrophobicContact CG-CD2 4.21Å; R160-L184 HydrophobicContact CG-CG 4.18Å; Y181-L184 WeakPolarHBondContact CB-O 3.48Å; I182-L184 PolarHBondContact O-N 2.81Å; L184-E188 HydrophobicContact CD2-CB 4.22Å; L184-F192 HydrophobicContact CD1-CB 4.15Å; L184-F192 HydrophobicContact CD1-CD1 4.14Å; L184-F192 HydrophobicContact CD1-CD2 3.52Å; L184-F192 HydrophobicContact CD1-CE1 4.47Å; L184-F192 HydrophobicContact CD1-CE2 3.86Å; L184-F192 HydrophobicContact CD1-CG 3.66Å; L184-F192 HydrophobicContact CD1-CZ 4.34Å; L184-F192 HydrophobicContact CD2-CB 4.22Å; L184-F192 HydrophobicContact CD2-CD2 4.08Å; L184-F192 HydrophobicContact CD2-CG 4.39Å; L184-F192 HydrophobicContact CG-CD2 4.4Å
185D93.2Very high93.4Very high107 Ų10772 Ų7257%0.57238%0.379SS*.  trans-87.5155168.1-68.4-40.5000111.2S187 E188 A189D185-S187 PolarHBondContact O-N 2.75Å; D185-S187 VanDerWaalsContact O-N 3.15Å; D185-E188 HydrophobicContact CB-CG 4.24Å; D185-E188 PolarHBondContact N-OE2 2.8Å; D185-E188 WeakPolarHBondContact O-CB 3.36Å; D185-E188 PolarHBondContact O-N 2.79Å; D185-A189 PolarHBondContact O-N 2.67Å
186E92.2Very high93.3Very high134 Ų13470.1 Ų70.163%0.62637%0.369SS*.THydrogen-bonded Turntrans-57.2-31176.6-175173.7-166.600112Y181 E188 A189Y181-E186 HydrophobicContact CD2-CB 4.5Å; Y181-E186 HydrophobicContact CE2-CB 4.09Å; Y181-E186 HydrophobicContact CE2-CG 4.07Å; E186-E188 VanDerWaalsContact C-N 3.28Å; E186-E188 PolarHBondContact O-N 2.79Å; E186-A189 VanDerWaalsContact O-CB 3.28Å; E186-A189 WeakPolarHBondContact O-CB 3.39Å; E186-A189 PolarHBondContact O-N 2.89Å
187S93.3Very high93.3Very high107 Ų10772 Ų7275%0.74837%0.372SS*.THydrogen-bonded Turntrans-69.1-23.3174.552.30000114.1D185D185-S187 PolarHBondContact O-N 2.75Å; D185-S187 VanDerWaalsContact O-N 3.15Å
188E93Very high93.1Very high84 Ų8475.9 Ų75.939%0.39338%0.383SS..THydrogen-bonded Turntrans-90.1-13.5-179.6-60.3-177.6119.100112.4L184 D185 E186 A190 A191 F192L184-E188 HydrophobicContact CD2-CB 4.22Å; D185-E188 HydrophobicContact CB-CG 4.24Å; D185-E188 PolarHBondContact N-OE2 2.8Å; D185-E188 WeakPolarHBondContact O-CB 3.36Å; D185-E188 PolarHBondContact O-N 2.79Å; E186-E188 VanDerWaalsContact C-N 3.28Å; E186-E188 PolarHBondContact O-N 2.79Å; E188-A190 VanDerWaalsContact C-N 3.31Å; E188-A190 PolarHBondContact O-N 2.81Å; E188-A191 PolarHBondContact O-N 3.12Å; E188-F192 PolarHBondContact O-N 3.35Å
189A91.6Very high92.8Very high9 Ų971.3 Ų71.37%0.07437%0.367CS..Hα-helixtrans-49.6-47.1-176.700000113.3Y181 D185 E186 A191 F192 D193Y181-A189 HydrophobicContact CD1-CB 4.25Å; Y181-A189 HydrophobicContact CE1-CB 3.33Å; D185-A189 PolarHBondContact O-N 2.67Å; E186-A189 VanDerWaalsContact O-CB 3.28Å; E186-A189 WeakPolarHBondContact O-CB 3.39Å; E186-A189 PolarHBondContact O-N 2.89Å; A189-A191 PolarHBondContact O-N 3.3Å; A189-F192 PolarHBondContact O-N 2.93Å; A189-D193 PolarHBondContact O-N 2.93Å
190A93.3Very high92.3Very high67 Ų6768.9 Ų68.955%0.55436%0.359SS*.Hα-helixtrans-64.9-40-179.500000112.5E188 D193 D194E188-A190 VanDerWaalsContact C-N 3.31Å; E188-A190 PolarHBondContact O-N 2.81Å; A190-D193 PolarHBondContact O-N 3.11Å; A190-D194 PolarHBondContact O-N 3.31Å; A190-D194 VanDerWaalsContact O-N 3.14Å
191A93.8Very high91.7Very high65 Ų6569.8 Ų69.854%0.53737%0.369SS..Hα-helixtrans-68.6-39.6177.200000111.3E188 A189 D194 E195E188-A191 PolarHBondContact O-N 3.12Å; A189-A191 PolarHBondContact O-N 3.3Å; A191-D194 PolarHBondContact O-N 2.84Å; A191-E195 WeakPolarHBondContact O-CB 3.21Å; A191-E195 PolarHBondContact O-N 2.99Å
192F95.6Very high90.8Very high1 Ų176.6 Ų76.60%0.00439%0.394CS..Hα-helixtrans-61.7-45.4173.8176.1-91.2000111.9H155 I157 R160 H162 L184 E188 A189 D194 E195 W196H155-F192 HydrophobicContact CB-CE1 3.91Å; H155-F192 HydrophobicContact CB-CZ 4.35Å; H155-F192 WeakPolarHBondContact O-CZ 3.4Å; I157-F192 HydrophobicContact CB-CE2 3.86Å; I157-F192 HydrophobicContact CB-CZ 4.41Å; I157-F192 HydrophobicContact CD1-CD2 4.08Å; I157-F192 HydrophobicContact CD1-CE2 3.67Å; I157-F192 HydrophobicContact CD1-CZ 4.05Å; I157-F192 HydrophobicContact CG1-CE2 3.81Å; I157-F192 HydrophobicContact CG1-CZ 4.02Å; R160-F192 HydrophobicContact CB-CD2 4.28Å; R160-F192 HydrophobicContact CB-CE2 3.91Å; H162-F192 HydrophobicContact CB-CD1 3.65Å; H162-F192 HydrophobicContact CB-CE1 3.51Å; H162-F192 HydrophobicContact CB-CZ 4.49Å; L184-F192 HydrophobicContact CD1-CB 4.15Å; L184-F192 HydrophobicContact CD1-CD1 4.14Å; L184-F192 HydrophobicContact CD1-CD2 3.52Å; L184-F192 HydrophobicContact CD1-CE1 4.47Å; L184-F192 HydrophobicContact CD1-CE2 3.86Å; L184-F192 HydrophobicContact CD1-CG 3.66Å; L184-F192 HydrophobicContact CD1-CZ 4.34Å; L184-F192 HydrophobicContact CD2-CB 4.22Å; L184-F192 HydrophobicContact CD2-CD2 4.08Å; L184-F192 HydrophobicContact CD2-CG 4.39Å; L184-F192 HydrophobicContact CG-CD2 4.4Å; E188-F192 PolarHBondContact O-N 3.35Å; A189-F192 PolarHBondContact O-N 2.93Å; F192-D194 VanDerWaalsContact C-N 3.31Å; F192-D194 PolarHBondContact O-N 2.64Å; F192-E195 WeakPolarHBondContact O-CB 3.21Å; F192-E195 PolarHBondContact O-N 2.89Å; F192-W196 HydrophobicContact CE1-CB 4.49Å; F192-W196 WeakPolarHBondContact O-CB 3.17Å; F192-W196 PolarHBondContact O-N 3.48Å
193D92.5Very high89.6Confident36 Ų3675.6 Ų75.619%0.19339%0.387CS..Hα-helixtrans-64.2-36.5179.3-75.3-15.2000112.2H162 A189 A190 R197H162-D193 IonicContact CE1-OD1 2.8Å; H162-D193 IonicContact CE1-OD2 3.04Å; H162-D193 IonicContact CG-OD1 2.85Å; H162-D193 IonicContact ND1-OD1 3.25Å; H162-D193 PolarHBondContact ND1-OD1 3.09Å; H162-D193 IonicContact ND1-OD2 2.88Å; H162-D193 PolarHBondContact ND1-OD2 3.35Å; A189-D193 PolarHBondContact O-N 2.93Å; A190-D193 PolarHBondContact O-N 3.11Å; D193-R197 WeakPolarHBondContact O-CB 3.27Å; D193-R197 WeakPolarHBondContact O-CG 3.45Å; D193-R197 PolarHBondContact O-N 3.28Å
194D93.3Very high87.9Confident80 Ų8079.1 Ų79.143%0.42839%0.392SS..Hα-helixtrans-66.6-40.2173-80.5-19.6000112.7A190 A191 F192 R197 R198A190-D194 PolarHBondContact O-N 3.31Å; A190-D194 VanDerWaalsContact O-N 3.14Å; A191-D194 PolarHBondContact O-N 2.84Å; F192-D194 VanDerWaalsContact C-N 3.31Å; F192-D194 PolarHBondContact O-N 2.64Å; D194-R197 IonicContact OD1-CZ 3.76Å; D194-R197 IonicContact OD1-NE 2.83Å; D194-R197 PolarHBondContact OD1-NE 3.41Å; D194-R197 IonicContact OD1-NH2 2.93Å; D194-R197 PolarHBondContact OD1-NH2 2.8Å; D194-R198 WeakPolarHBondContact O-CB 3.38Å; D194-R198 PolarHBondContact O-N 2.7Å
195E93.1Very high86.1Confident46 Ų4684 Ų8422%0.21542%0.415CS..Hα-helixtrans-63-49.8173.1-173.7-179.4161.100110.8I157 R160 A191 F192 R197 R198 E199I157-E195 HydrophobicContact CD1-CB 4.16Å; I157-E195 HydrophobicContact CD1-CG 3.83Å; R160-E195 IonicContact CZ-OE2 3.81Å; R160-E195 IonicContact NH1-OE2 3.5Å; R160-E195 IonicContact NH2-OE1 2.58Å; R160-E195 PolarHBondContact NH2-OE1 2.83Å; R160-E195 IonicContact NH2-OE2 3.86Å; R160-E195 PolarHBondContact NH2-OE2 2.84Å; A191-E195 WeakPolarHBondContact O-CB 3.21Å; A191-E195 PolarHBondContact O-N 2.99Å; F192-E195 WeakPolarHBondContact O-CB 3.21Å; F192-E195 PolarHBondContact O-N 2.89Å; E195-R197 PolarHBondContact O-N 2.6Å; E195-R198 WeakPolarHBondContact O-CA 3.32Å; E195-R198 WeakPolarHBondContact O-CB 3.32Å; E195-R198 PolarHBondContact O-N 2.95Å; E195-E199 HydrophobicContact CG-CG 4.41Å; E195-E199 WeakPolarHBondContact O-CG 3.44Å; E195-E199 PolarHBondContact O-N 3.37Å
196W92.6Very high83.5Confident15 Ų1587.7 Ų87.76%0.05743%0.429CS..Hα-helixtrans-53.9-50.2175.8173-102.5000111.6I134 R135 E136 H155 H156 I157 F192 R198 E199 T200I134-W196 HydrophobicContact CG2-CE3 4.29Å; I134-W196 HydrophobicContact CG2-CH2 3.89Å; I134-W196 HydrophobicContact CG2-CZ3 3.55Å; R135-W196 VanDerWaalsContact O-CH2 3.23Å; R135-W196 WeakPolarHBondContact O-CH2 3.42Å; R135-W196 WeakPolarHBondContact O-CZ3 3.43Å; E136-W196 HydrophobicContact CB-CH2 3.8Å; E136-W196 HydrophobicContact CB-CZ2 3.89Å; E136-W196 HydrophobicContact CG-CH2 4.45Å; E136-W196 HydrophobicContact CG-CZ2 4.09Å; H155-W196 HydrophobicContact CB-CD2 3.57Å; H155-W196 HydrophobicContact CB-CE3 3.81Å; H155-W196 HydrophobicContact CB-CG 4.02Å; H155-W196 HydrophobicContact CB-CH2 4.15Å; H155-W196 HydrophobicContact CB-CZ2 3.93Å; H155-W196 HydrophobicContact CB-CZ3 4.08Å; H155-W196 AromaticContact CD2-CE2 3.27Å; H155-W196 AromaticContact CD2-CZ2 3.28Å; H155-W196 WeakPolarHBondContact CD2-CZ2 3.28Å; H155-W196 AromaticContact CD2-NE1 3.29Å; H155-W196 PolarHBondContact CD2-NE1 3.08Å; H155-W196 VanDerWaalsContact CD2-NE1 3.29Å; H155-W196 AromaticContact CE1-CD1 3.8Å; H155-W196 AromaticContact CE1-NE1 3.43Å; H155-W196 PolarHBondContact CE1-NE1 2.85Å; H155-W196 AromaticContact CG-CD1 3.75Å; H155-W196 AromaticContact CG-CD2 3.73Å; H155-W196 AromaticContact CG-CE2 3.31Å; H155-W196 AromaticContact CG-CG 4Å; H155-W196 AromaticContact CG-CZ2 3.7Å; H155-W196 AromaticContact CG-NE1 3.32Å; H155-W196 VanDerWaalsContact CG-NE1 3.32Å; H155-W196 AromaticContact ND1-CD1 3.51Å; H155-W196 AromaticContact ND1-CE2 3.9Å; H155-W196 AromaticContact ND1-NE1 3.41Å; H155-W196 PolarHBondContact ND1-NE1 3.49Å; H155-W196 AromaticContact NE2-CE2 3.84Å; H155-W196 AromaticContact NE2-NE1 3.34Å; H155-W196 PolarHBondContact NE2-NE1 2.81Å; H156-W196 VanDerWaalsContact O-CZ3 3.29Å; H156-W196 WeakPolarHBondContact O-CZ3 3.26Å; I157-W196 HydrophobicContact CD1-CB 4.06Å; I157-W196 HydrophobicContact CD1-CE3 4.3Å; I157-W196 HydrophobicContact CG1-CE3 3.84Å; I157-W196 HydrophobicContact CG1-CZ3 4.46Å; F192-W196 HydrophobicContact CE1-CB 4.49Å; F192-W196 WeakPolarHBondContact O-CB 3.17Å; F192-W196 PolarHBondContact O-N 3.48Å; W196-R198 VanDerWaalsContact C-N 3.29Å; W196-R198 PolarHBondContact O-N 2.77Å; W196-E199 PolarHBondContact O-N 2.63Å; W196-T200 HydrophobicContact CD2-CG2 3.78Å; W196-T200 HydrophobicContact CE3-CG2 4.06Å; W196-T200 HydrophobicContact CG-CG2 4.39Å; W196-T200 HydrophobicContact CH2-CG2 3.96Å; W196-T200 HydrophobicContact CZ2-CG2 3.68Å; W196-T200 HydrophobicContact CZ3-CG2 4.15Å; W196-T200 WeakPolarHBondContact O-CB 3.5Å; W196-T200 WeakPolarHBondContact O-CG2 3.26Å; W196-T200 PolarHBondContact O-N 2.9Å; W196-T200 PolarHBondContact O-OG1 2.94Å
197R90.4Very high80.9Confident144 Ų14489.7 Ų89.754%0.54343%0.43SS..Hα-helixtrans-58-42.3175.9-79-172.9-77.8-111.44.1111.7D193 D194 E195 T200 S201D193-R197 WeakPolarHBondContact O-CB 3.27Å; D193-R197 WeakPolarHBondContact O-CG 3.45Å; D193-R197 PolarHBondContact O-N 3.28Å; D194-R197 IonicContact OD1-CZ 3.76Å; D194-R197 IonicContact OD1-NE 2.83Å; D194-R197 PolarHBondContact OD1-NE 3.41Å; D194-R197 IonicContact OD1-NH2 2.93Å; D194-R197 PolarHBondContact OD1-NH2 2.8Å; E195-R197 PolarHBondContact O-N 2.6Å; R197-T200 PolarHBondContact O-OG1 3.41Å; R197-S201 WeakPolarHBondContact O-CB 3.48Å; R197-S201 PolarHBondContact O-N 3.39Å
198R89Confident77.9Confident165 Ų16590.1 Ų90.162%0.62343%0.431SS*.Hα-helixtrans-67.4-43.9-179.3-167.9-173.1-47170.59.2112.1D194 E195 W196 S201D194-R198 WeakPolarHBondContact O-CB 3.38Å; D194-R198 PolarHBondContact O-N 2.7Å; E195-R198 WeakPolarHBondContact O-CA 3.32Å; E195-R198 WeakPolarHBondContact O-CB 3.32Å; E195-R198 PolarHBondContact O-N 2.95Å; W196-R198 VanDerWaalsContact C-N 3.29Å; W196-R198 PolarHBondContact O-N 2.77Å; R198-S201 PolarHBondContact O-OG 3.34Å
199E86.2Confident75.1Confident42 Ų4293.5 Ų93.520%0.19645%0.45CS..Hα-helixtrans-69.7-47-179.9-70.8-160.2157.100111.4I134 E195 W196 S201 R202 F203I134-E199 HydrophobicContact CD1-CB 3.63Å; I134-E199 HydrophobicContact CD1-CG 4.46Å; I134-E199 HydrophobicContact CG1-CB 4.2Å; I134-E199 WeakPolarHBondContact CG1-OE2 3.33Å; E195-E199 HydrophobicContact CG-CG 4.41Å; E195-E199 WeakPolarHBondContact O-CG 3.44Å; E195-E199 PolarHBondContact O-N 3.37Å; W196-E199 PolarHBondContact O-N 2.63Å; E199-S201 VanDerWaalsContact C-N 3.34Å; E199-S201 PolarHBondContact O-N 3.2Å; E199-R202 PolarHBondContact O-N 2.78Å; E199-F203 WeakPolarHBondContact O-CD2 3.39Å
200T84.7Confident72.4Confident36 Ų36100.7 Ų100.722%0.22148%0.483CS..Hα-helixtrans-71.5-24.8178.858.60000113.7I134 W196 R197 R202 F203 R204I134-T200 HydrophobicContact CG2-CG2 3.88Å; W196-T200 HydrophobicContact CD2-CG2 3.78Å; W196-T200 HydrophobicContact CE3-CG2 4.06Å; W196-T200 HydrophobicContact CG-CG2 4.39Å; W196-T200 HydrophobicContact CH2-CG2 3.96Å; W196-T200 HydrophobicContact CZ2-CG2 3.68Å; W196-T200 HydrophobicContact CZ3-CG2 4.15Å; W196-T200 WeakPolarHBondContact O-CB 3.5Å; W196-T200 WeakPolarHBondContact O-CG2 3.26Å; W196-T200 PolarHBondContact O-N 2.9Å; W196-T200 PolarHBondContact O-OG1 2.94Å; R197-T200 PolarHBondContact O-OG1 3.41Å; T200-R202 PolarHBondContact O-N 3.42Å; T200-R202 VanDerWaalsContact O-N 3.1Å; T200-F203 CarbonylContact O-C 3.55Å; T200-F203 WeakPolarHBondContact O-CA 3.22Å; T200-F203 PolarHBondContact O-N 3.31Å; T200-R204 PolarHBondContact O-N 2.73Å
201S83Confident69.6Low69 Ų69106.6 Ų106.648%0.48350%0.496SS..Hα-helixtrans-56.8-29.1177.170.50000113.4R197 R198 E199 F203 R204R197-S201 WeakPolarHBondContact O-CB 3.48Å; R197-S201 PolarHBondContact O-N 3.39Å; R198-S201 PolarHBondContact O-OG 3.34Å; E199-S201 VanDerWaalsContact C-N 3.34Å; E199-S201 PolarHBondContact O-N 3.2Å; S201-F203 VanDerWaalsContact C-N 3.3Å; S201-R204 WeakPolarHBondContact O-CB 3.44Å
202R74.7Confident67Low203 Ų203114.2 Ų114.277%0.76651%0.511SS*.THydrogen-bonded Turntrans-73.9-25.9177.6-57.5-179179.8-139.6-0.4112.6E199 T200E199-R202 PolarHBondContact O-N 2.78Å; T200-R202 PolarHBondContact O-N 3.42Å; T200-R202 VanDerWaalsContact O-N 3.1Å
203F68.7Low64.2Low54 Ų54124.1 Ų124.124%0.23755%0.548CS..THydrogen-bonded Turntrans-104.83.4-174.7-64-53.5000112.5Q100 A130 I134 E199 T200 S201 Q205Q100-F203 HydrophobicContact CG-CD1 4.37Å; Q100-F203 VanDerWaalsContact NE2-CA 3.31Å; Q100-F203 PolarHBondContact NE2-O 3.18Å; Q100-F203 VanDerWaalsContact NE2-O 3.15Å; A130-F203 HydrophobicContact CB-CD1 4.49Å; A130-F203 HydrophobicContact CB-CD2 3.96Å; A130-F203 HydrophobicContact CB-CE2 4.2Å; A130-F203 HydrophobicContact CB-CG 4.11Å; I134-F203 HydrophobicContact CD1-CD2 3.85Å; I134-F203 HydrophobicContact CD1-CE2 3.48Å; I134-F203 VanDerWaalsContact CD1-CE2 3.48Å; E199-F203 WeakPolarHBondContact O-CD2 3.39Å; T200-F203 CarbonylContact O-C 3.55Å; T200-F203 WeakPolarHBondContact O-CA 3.22Å; T200-F203 PolarHBondContact O-N 3.31Å; S201-F203 VanDerWaalsContact C-N 3.3Å; F203-Q205 PolarHBondContact O-N 3.16Å
204R59.4Low61.6Low183 Ų183129.4 Ų129.469%0.69158%0.576SS**  trans-46.1125.4-171.7-162.8174.3177.9165.82109.7T200 S201 Q206T200-R204 PolarHBondContact O-N 2.73Å; S201-R204 WeakPolarHBondContact O-CB 3.44Å; R204-Q206 PolarHBondContact O-N 2.64Å; R204-Q206 VanDerWaalsContact O-N 3.12Å
205Q54.3Low59.1Low118 Ų118132.2 Ų132.255%0.55159%0.586SS**  trans-37.8121.6173.9-62.6177.8200107.9F203 R207F203-Q205 PolarHBondContact O-N 3.16Å; Q205-R207 PolarHBondContact O-N 3.48Å
206Q39.3Very low56.7Low184 Ų184134.2 Ų134.286%0.8661%0.605SS**  trans-43.5116.7175.1-69.1-162.6-33.600106.8R204R204-Q206 PolarHBondContact O-N 2.64Å; R204-Q206 VanDerWaalsContact O-N 3.12Å
207R36.5Very low54.2Low176 Ų176139.7 Ų139.766%0.66465%0.646SS**  trans-44.3139.4173.8-68.1-168.6175.1-147.30.3106.6Q205 L209Q205-R207 PolarHBondContact O-N 3.48Å; R207-L209 PolarHBondContact O-N 3.37Å
208P31.1Very low51.7Low116 Ų116136 Ų13675%0.75365%0.652SS**SBendtrans-43.6125.6161.1-20.530.8000105.7E210P208-E210 PolarHBondContact O-N 3.4Å
209L34.5Very low49.4Very low154 Ų154133.1 Ų133.181%0.80666%0.664SS**  trans-52.190.1-174.2-71163.2000108.8R207 F211R207-L209 PolarHBondContact O-N 3.37Å; L209-F211 PolarHBondContact O-N 2.86Å
210E34.9Very low47Very low161 Ų161135.3 Ų135.375%0.75270%0.697SS**  trans-63.2100.7159-68.5-84.4155.700101.9P208 R212P208-E210 PolarHBondContact O-N 3.4Å; E210-R212 VanDerWaalsContact C-N 3.28Å; E210-R212 PolarHBondContact O-N 2.71Å
211F35Very low44.8Very low190 Ų190137 Ų13783%0.83372%0.722SS**  trans-49.4103.3173.3-89.7-95.8000106.7L209 R213L209-F211 PolarHBondContact O-N 2.86Å; F211-R213 PolarHBondContact O-N 2.78Å
212R38.9Very low42.9Very low226 Ų226144.8 Ų144.885%0.85374%0.741SS**  trans-59.191.1163-173.4-178.6-144.9141.43.6104.2E210 L214E210-R212 VanDerWaalsContact C-N 3.28Å; E210-R212 PolarHBondContact O-N 2.71Å; R212-L214 PolarHBondContact O-N 2.94Å
213R36.1Very low41.2Very low208 Ų208146.4 Ų146.479%0.78575%0.747SS**  trans-65.383.2170.3-141.4-171-170.4145.97.7105.5F211 E215F211-R213 PolarHBondContact O-N 2.78Å; R213-E215 WeakPolarHBondContact CD-OE2 3.45Å; R213-E215 HydrophobicContact CG-CG 4.23Å; R213-E215 IonicContact CZ-OE2 2.62Å; R213-E215 IonicContact NE-OE2 2.86Å; R213-E215 PolarHBondContact NE-OE2 3.15Å; R213-E215 PolarHBondContact O-N 2.84Å
214L38.4Very low40Very low147 Ų147148.6 Ų148.677%0.7778%0.775SS**  trans-78.763.8165.5-164.8112.2000106R212 S216R212-L214 PolarHBondContact O-N 2.94Å; L214-S216 VanDerWaalsContact C-N 3.25Å; L214-S216 PolarHBondContact O-N 3.43Å
215E39.7Very low39.1Very low140 Ų140149.7 Ų149.765%0.65479%0.788SS**  trans-85.187.9163.8-80.8-175.8139.900106.5R213R213-E215 WeakPolarHBondContact CD-OE2 3.45Å; R213-E215 HydrophobicContact CG-CG 4.23Å; R213-E215 IonicContact CZ-OE2 2.62Å; R213-E215 IonicContact NE-OE2 2.86Å; R213-E215 PolarHBondContact NE-OE2 3.15Å; R213-E215 PolarHBondContact O-N 2.84Å
216S43.7Very low38.7Very low88 Ų88147.1 Ų147.162%0.61579%0.793SS**  trans2210713755.60000115.4L214 G218L214-S216 VanDerWaalsContact C-N 3.25Å; L214-S216 PolarHBondContact O-N 3.43Å; S216-G218 PolarHBondContact O-N 3.23Å
217S39.2Very low39.7Very low130 Ų130144.3 Ų144.391%0.90979%0.791SS**SBendtrans-33107139.852.50000111
218G39Very low40.4Very low65 Ų65141.9 Ų141.967%0.6780%0.798SS**  trans171.688.5-177.800000113.8S216S216-G218 PolarHBondContact O-N 3.23Å
219A40Very low41.4Very low106 Ų106148 Ų14888%0.87681%0.806SS**  trans56.199.9145.200000118.7
220G36.2Very low42.2Very low87 Ų87149.2 Ų149.290%0.89781%0.813SS**  79.5121.6124.800000118.4
221G38.2Very low42.7Very low71 Ų71145.4 Ų145.473%0.73281%0.809SS**  trans124.788.714400000117
222R42.9Very low43.6Very low234 Ų234144.7 Ų144.788%0.88381%0.812SS**  trans52.8123135.1-58.7-170.1-179.9-150.80.1120.4
223R39.5Very low43.8Very low236 Ų236142.7 Ų142.789%0.89181%0.812SS**  trans67.7107.4141.7-79-179.1161.6169.3-5.9117.8
224A43.4Very low44.1Very low101 Ų101135.3 Ų135.384%0.83580%0.8SS**  168.4132.4102.400000109.3
225E40.5Very low44.9Very low206 Ų206134.6 Ų134.696%0.96381%0.805SS**  trans-71.3138.1174-64.5-165.3147.900111.5
226G46.5Very low45.1Very low64 Ų64137 Ų13766%0.6682%0.816SS**  trans166.4120.7166.800000112.2
227P58.7Low45.4Very low124 Ų124140.3 Ų140.381%0.80583%0.827SS**  trans-67.9150.7174.729.6-33.5000110.6R229P227-R229 PolarHBondContact O-N 2.89Å
228P52.7Low45.5Very low125 Ų125139.1 Ų139.181%0.81282%0.818SS**  trans-70.1115.4-171.228.4-32.5000110.9L230P228-L230 PolarHBondContact O-N 2.76Å
229R50.9Low45.8Very low244 Ų244141.4 Ų141.492%0.92182%0.821SS**  trans-75.7107.4163.4-86.3-172.4164.5165.1-3.1109P227 A231P227-R229 PolarHBondContact O-N 2.89Å; R229-A231 PolarHBondContact O-N 2.9Å
230L51.4Low46.2Very low181 Ų181141.3 Ų141.395%0.94881%0.814SS**  trans-73.599.4161-79.7155.8000108P228P228-L230 PolarHBondContact O-N 2.76Å
231A46.9Very low46.6Very low81 Ų81148.7 Ų148.767%0.66982%0.815SS**  trans-110116.6166.200000108R229 Q233R229-A231 PolarHBondContact O-N 2.9Å; A231-Q233 PolarHBondContact O-N 2.87Å
232I53.5Low47Very low175 Ų175153.7 Ų153.790%0.89782%0.819SS**  trans-66.7101.7163.4-65.3174.3000105.7G234I232-G234 PolarHBondContact O-N 2.81Å
233Q42.5Very low47.1Very low183 Ų183147.9 Ų147.986%0.85582%0.815SS**  trans-68.7115.2167-85.7176-15.900108.1A231A231-Q233 PolarHBondContact O-N 2.87Å
234G42.6Very low47.6Very low53 Ų53146.9 Ų146.955%0.54681%0.811SS.*  trans-66.6154.5160.400000110.2I232 E236I232-G234 PolarHBondContact O-N 2.81Å; G234-E236 PolarHBondContact O-N 2.84Å
235P55.3Low47.8Very low132 Ų132152.4 Ų152.486%0.85781%0.81SS**  trans-70.7114.2-171.728-32.2000110.9
236E44.1Very low48.3Very low190 Ų190152.2 Ų152.289%0.88880%0.802SS**  trans-89.298.2163.1-71.1-161.4117.500109.1G234G234-E236 PolarHBondContact O-N 2.84Å
237D48.9Very low48.9Very low159 Ų159155.9 Ų155.985%0.8581%0.806SS**  trans-99.897.8157.7-93.4-39.4000109.2
238S42.9Very low48.9Very low104 Ų104164.3 Ų164.373%0.72782%0.822SS**  trans-10.4171.6148-62.20000119.2
239P45Very low48.7Very low113 Ų113166.3 Ų166.373%0.73482%0.823SS**  cis-134.9-170.8-39.234.8-15.9000111.4
240S48.7Very low48.6Very low105 Ų105162.2 Ų162.273%0.73482%0.818SS**  trans106.485.4155.3-36.50000117.7
241R43.7Very low48.4Very low242 Ų242161.1 Ų161.191%0.91381%0.81SS**  40.799.1115.2-156-175.9-153.6-140.34.8116.6
242Q47.3Very low48.5Very low175 Ų175165.8 Ų165.882%0.81882%0.819SS**  -168.8120124.3-106170.630.800111.7
243S44.8Very low48.2Very low112 Ų112165.3 Ų165.378%0.78381%0.814SS**  trans-59.6131.8167.954.10000111.7
244R49.4Very low48.6Very low216 Ų216164.1 Ų164.182%0.81581%0.811SS**  trans-144.1113.6142.7-70.6-163.5-176.2175.42.7109.8
245R46.7Very low49Very low216 Ų216172 Ų17282%0.81583%0.83SS**  trans-66.9146.2158.1-71.5-166.5-177.2-95.12.9109
246Y52.1Low48.6Very low203 Ų203175.1 Ų175.180%0.79683%0.828SS**  trans-135.2117.8143.9-92.7-86.4000107.3
247D59.2Low48.9Very low140 Ų140173.8 Ų173.875%0.74982%0.823SS**  trans-78.6135.6157.4-93.6-77.4000108.1
248W58.5Low48.9Very low301 Ų301175.2 Ų175.2100%1.1482%0.82SS**  trans-155.10141.857.9-95000108.4

Retrieved 248 of 248 residues in 36.6 ms (Link to these results)

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