A0A077Z5H5_TRITR Loading...

Ribosomal L1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z5H5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 345 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
1M34.6Very low59.8Low235 Ų235119.2 Ų119.2100%1.15864%0.637SS**  0108.80-65.8179.683.900108.6K3M1-K3 PolarHBondContact O-N 3.43Å; M1-K3 VanDerWaalsContact O-N 3.09Å
2A38.7Very low62.6Low101 Ų101115.1 Ų115.184%0.83561%0.607SS**  trans-64.6108.9173.500000108.1Q4A2-Q4 PolarHBondContact O-N 3.38Å
3K42.5Very low65Low200 Ų200109.9 Ų109.987%0.8759%0.591SS**  trans-63106.3173-73.6178.8177.6178.70106.8M1 E5M1-K3 PolarHBondContact O-N 3.43Å; M1-K3 VanDerWaalsContact O-N 3.09Å; K3-E5 PolarHBondContact O-N 3.35Å; K3-E5 VanDerWaalsContact O-N 3.09Å
4Q40Very low67.1Low187 Ų187108.1 Ų108.187%0.87458%0.577SS**  trans-56.6114.4166.8-73.7174.7-25.600106.9A2A2-Q4 PolarHBondContact O-N 3.38Å
5E45.1Very low68.9Low169 Ų169100.9 Ų100.979%0.7954%0.538SS*.  trans-60.7128.9174.6-67.6-174.216300107.8K3 T7K3-E5 PolarHBondContact O-N 3.35Å; K3-E5 VanDerWaalsContact O-N 3.09Å; E5-T7 PolarHBondContact O-N 3.05Å
6P55.6Low70.6Confident89 Ų89102.9 Ų102.958%0.57854%0.536SS*.  trans-61.7108.8-179.223.8-31.4000108.1E8 L258P6-E8 PolarHBondContact O-N 3.19Å; P6-L258 HydrophobicContact CG-CD1 4.13Å; P6-L258 HydrophobicContact CG-CD2 3.97Å
7T64.5Low72Confident121 Ų121107.9 Ų107.974%0.74255%0.546SS*.  trans-68.3107176.144.10000107.3E5 V9E5-T7 PolarHBondContact O-N 3.05Å; T7-V9 VanDerWaalsContact C-N 3.33Å; T7-V9 PolarHBondContact O-N 3.34Å
8E73.8Confident73.3Confident30 Ų30102.5 Ų102.514%0.1452%0.521CS..  trans-67.293.2174.7-76.9-170.6172.400109.1P6 K53 L235 S236 Y254 S256 L258P6-E8 PolarHBondContact O-N 3.19Å; E8-K53 IonicContact OE1-NZ 3.91Å; E8-K53 PolarHBondContact OE1-NZ 2.98Å; E8-K53 IonicContact OE2-NZ 2.63Å; E8-L235 WeakPolarHBondContact O-CD1 3.13Å; E8-S236 WeakPolarHBondContact OE2-CA 3.48Å; E8-Y254 VanDerWaalsContact CB-OH 3.29Å; E8-Y254 WeakPolarHBondContact CB-OH 3.42Å; E8-Y254 VanDerWaalsContact CG-OH 3.3Å; E8-Y254 WeakPolarHBondContact CG-OH 3.45Å; E8-Y254 PolarHBondContact OE2-OH 3.32Å; E8-S256 WeakPolarHBondContact OE1-CB 3.46Å; E8-S256 PolarHBondContact OE1-OG 3.17Å; E8-L258 HydrophobicContact CG-CD1 4.17Å; E8-L258 WeakPolarHBondContact OE1-CD1 3.46Å
9V84.5Confident74.4Confident95 Ų9597.1 Ų97.158%0.57649%0.493SS*.  trans-105.3141.1176.8-175.60000109.2T7T7-V9 VanDerWaalsContact C-N 3.33Å; T7-V9 PolarHBondContact O-N 3.34Å
10I87.4Confident75.4Confident3 Ų394.6 Ų94.62%0.01549%0.488CS..  trans-87.8126.3175.2-61.5167.2000107.4Y12 V15 F220 M224 L235 L241 Y254I10-Y12 HydrophobicContact CG2-CD1 4.49Å; I10-Y12 HydrophobicContact CG2-CE1 4.37Å; I10-Y12 PolarHBondContact O-N 3Å; I10-V15 HydrophobicContact CG2-CG2 4.08Å; I10-F220 HydrophobicContact CG2-CE1 4.48Å; I10-M224 HydrophobicContact CD1-CB 4.31Å; I10-M224 HydrophobicContact CD1-CE 3.44Å; I10-M224 VanDerWaalsContact CD1-CE 3.44Å; I10-M224 HydrophobicContact CD1-CG 4.16Å; I10-L235 HydrophobicContact CD1-CD2 3.82Å; I10-L235 HydrophobicContact CG1-CD2 4.49Å; I10-L241 HydrophobicContact CD1-CD1 3.81Å; I10-L241 HydrophobicContact CG1-CD1 4.2Å; I10-Y254 HydrophobicContact CG1-CD2 4.19Å
11D91.5Very high76.2Confident81 Ų8192.9 Ų92.943%0.43349%0.488SS..  trans-77.4105.3173179.714.6000110.6A13 Q14 V15D11-A13 VanDerWaalsContact C-N 3.26Å; D11-A13 PolarHBondContact O-N 3.47Å; D11-A13 VanDerWaalsContact OD1-CB 3.28Å; D11-A13 WeakPolarHBondContact OD1-CB 3.41Å; D11-A13 PolarHBondContact OD1-N 3.11Å; D11-Q14 HydrophobicContact CB-CB 4.2Å; D11-Q14 PolarHBondContact O-N 3.31Å; D11-Q14 PolarHBondContact OD2-N 3.04Å; D11-V15 WeakPolarHBondContact O-CG2 3.42Å; D11-V15 PolarHBondContact O-N 3.48Å
12Y93.2Very high79Confident70 Ų7081.9 Ų81.928%0.27543%0.434SS..Hα-helixtrans-70.3-20.7178-61.2-67.5000113I10 V15 R16 E221I10-Y12 HydrophobicContact CG2-CD1 4.49Å; I10-Y12 HydrophobicContact CG2-CE1 4.37Å; I10-Y12 PolarHBondContact O-N 3Å; Y12-V15 HydrophobicContact CD1-CG2 4.31Å; Y12-V15 WeakPolarHBondContact O-CB 3.31Å; Y12-V15 PolarHBondContact O-N 3.22Å; Y12-R16 WeakPolarHBondContact O-CB 3.37Å; Y12-R16 PolarHBondContact O-N 2.57Å; Y12-E221 HydrophobicContact CD1-CG 3.73Å; Y12-E221 HydrophobicContact CE1-CB 4.49Å; Y12-E221 HydrophobicContact CE1-CG 3.53Å; Y12-E221 HydrophobicContact CG-CG 4.46Å
13A93.8Very high81.4Confident48 Ų4878.6 Ų78.640%0.39740%0.401SS..Hα-helixtrans-67.5-40.517300000110.8D11 R16 R17D11-A13 VanDerWaalsContact C-N 3.26Å; D11-A13 PolarHBondContact O-N 3.47Å; D11-A13 VanDerWaalsContact OD1-CB 3.28Å; D11-A13 WeakPolarHBondContact OD1-CB 3.41Å; D11-A13 PolarHBondContact OD1-N 3.11Å; A13-R16 WeakPolarHBondContact O-CB 3.39Å; A13-R16 PolarHBondContact O-N 3.43Å; A13-R17 WeakPolarHBondContact O-CG 3.22Å; A13-R17 PolarHBondContact O-N 3.18Å
14Q93.7Very high83.8Confident84 Ų8470.3 Ų70.339%0.39337%0.372SS..Hα-helixtrans-65.3-40.2173.4-172.1170.73.300112D11 R16 R17 A18 P252 V253D11-Q14 HydrophobicContact CB-CB 4.2Å; D11-Q14 PolarHBondContact O-N 3.31Å; D11-Q14 PolarHBondContact OD2-N 3.04Å; Q14-R16 VanDerWaalsContact C-N 3.33Å; Q14-R16 PolarHBondContact O-N 3.19Å; Q14-R17 PolarHBondContact O-N 3.29Å; Q14-A18 WeakPolarHBondContact O-CB 3.33Å; Q14-A18 PolarHBondContact O-N 3.16Å; Q14-P252 PolarHBondContact NE2-O 2.9Å; Q14-V253 HydrophobicContact CG-CG1 4.33Å; Q14-V253 PolarHBondContact OE1-O 3.38Å
15V94.3Very high86.1Confident0 Ų065.8 Ų65.80%035%0.348CS..Hα-helixtrans-55.9-49.3172.31770000110.1I10 D11 Y12 R17 A18 V19 F220 I243 V253I10-V15 HydrophobicContact CG2-CG2 4.08Å; D11-V15 WeakPolarHBondContact O-CG2 3.42Å; D11-V15 PolarHBondContact O-N 3.48Å; Y12-V15 HydrophobicContact CD1-CG2 4.31Å; Y12-V15 WeakPolarHBondContact O-CB 3.31Å; Y12-V15 PolarHBondContact O-N 3.22Å; V15-R17 PolarHBondContact O-N 2.76Å; V15-A18 PolarHBondContact O-N 3.44Å; V15-V19 HydrophobicContact CG1-CG2 4.31Å; V15-V19 WeakPolarHBondContact O-CG2 3.46Å; V15-V19 PolarHBondContact O-N 3.37Å; V15-F220 HydrophobicContact CG1-CD1 3.77Å; V15-F220 HydrophobicContact CG1-CE1 4.04Å; V15-F220 HydrophobicContact CG1-CG 4.25Å; V15-F220 HydrophobicContact CG2-CD1 4.12Å; V15-F220 HydrophobicContact CG2-CE1 3.64Å; V15-F220 HydrophobicContact CG2-CZ 4.36Å; V15-I243 HydrophobicContact CG1-CD1 3.85Å; V15-V253 HydrophobicContact CB-CG1 4.03Å; V15-V253 HydrophobicContact CG2-CG1 3.32Å
16R95.7Very high88.1Confident133 Ų13358.5 Ų58.550%0.50231%0.314SS..Hα-helixtrans-58.6-47.4-179.5-166.4178.7-170.8-164.33.8112Y12 A13 Q14 A18 V19 A20 V213 D214 L217Y12-R16 WeakPolarHBondContact O-CB 3.37Å; Y12-R16 PolarHBondContact O-N 2.57Å; A13-R16 WeakPolarHBondContact O-CB 3.39Å; A13-R16 PolarHBondContact O-N 3.43Å; Q14-R16 VanDerWaalsContact C-N 3.33Å; Q14-R16 PolarHBondContact O-N 3.19Å; R16-A18 VanDerWaalsContact C-N 3.35Å; R16-A18 PolarHBondContact O-N 3.04Å; R16-V19 PolarHBondContact O-N 2.82Å; R16-A20 WeakPolarHBondContact O-CB 3.45Å; R16-A20 PolarHBondContact O-N 3.36Å; R16-V213 HydrophobicContact CG-CG1 4.01Å; R16-D214 IonicContact CZ-OD1 3.64Å; R16-D214 IonicContact NE-OD1 2.78Å; R16-D214 IonicContact NH2-OD1 2.73Å; R16-D214 PolarHBondContact NH2-OD1 2.93Å; R16-D214 VanDerWaalsContact NH2-OD1 3.11Å; R16-L217 HydrophobicContact CB-CD1 3.64Å; R16-L217 HydrophobicContact CG-CD1 3.99Å
17R95.4Very high89.5Confident188 Ų18860.1 Ų60.171%0.70931%0.314SS*.Hα-helixtrans-61-43.4176.8-69.3178.6-165.6166.45.3111.6A13 Q14 V15 A20 A21A13-R17 WeakPolarHBondContact O-CG 3.22Å; A13-R17 PolarHBondContact O-N 3.18Å; Q14-R17 PolarHBondContact O-N 3.29Å; V15-R17 PolarHBondContact O-N 2.76Å; R17-A20 PolarHBondContact O-N 2.94Å; R17-A21 VanDerWaalsContact O-CB 3.25Å; R17-A21 WeakPolarHBondContact O-CB 3.47Å; R17-A21 PolarHBondContact O-N 3.1Å
18A94.5Very high90.5Very high11 Ų1161.4 Ų61.49%0.09131%0.309CS..Hα-helixtrans-64.5-43.3178.700000112.1Q14 V15 R16 A21 L22 I243 L251 V253Q14-A18 WeakPolarHBondContact O-CB 3.33Å; Q14-A18 PolarHBondContact O-N 3.16Å; V15-A18 PolarHBondContact O-N 3.44Å; R16-A18 VanDerWaalsContact C-N 3.35Å; R16-A18 PolarHBondContact O-N 3.04Å; A18-A21 PolarHBondContact O-N 2.97Å; A18-L22 VanDerWaalsContact O-CB 3.3Å; A18-L22 WeakPolarHBondContact O-CB 3.36Å; A18-L22 PolarHBondContact O-N 2.71Å; A18-I243 HydrophobicContact CB-CD1 4.49Å; A18-L251 HydrophobicContact CB-CB 4.28Å; A18-L251 HydrophobicContact CB-CD1 4.16Å; A18-L251 VanDerWaalsContact O-CD1 3.26Å; A18-L251 WeakPolarHBondContact O-CD1 3.41Å; A18-V253 HydrophobicContact CB-CG2 3.58Å
19V94.3Very high90.7Very high0 Ų062.6 Ų62.60%032%0.315CS..Hα-helixtrans-65.4-44.4176.61740000111V15 R16 L22 K23 F206 V213 L216 I243V15-V19 HydrophobicContact CG1-CG2 4.31Å; V15-V19 WeakPolarHBondContact O-CG2 3.46Å; V15-V19 PolarHBondContact O-N 3.37Å; R16-V19 PolarHBondContact O-N 2.82Å; V19-L22 PolarHBondContact O-N 3.41Å; V19-K23 WeakPolarHBondContact O-CG 3.41Å; V19-K23 PolarHBondContact O-N 2.98Å; V19-F206 HydrophobicContact CG2-CZ 4.49Å; V19-V213 HydrophobicContact CB-CG1 4.45Å; V19-V213 HydrophobicContact CG1-CG1 4.12Å; V19-L216 HydrophobicContact CG1-CB 4.05Å; V19-L216 HydrophobicContact CG1-CD1 3.62Å; V19-I243 HydrophobicContact CG2-CD1 4.03Å; V19-I243 HydrophobicContact CG2-CG2 4.43Å
20A94.1Very high89.9Confident47 Ų4760.1 Ų60.139%0.38831%0.309SS..Hα-helixtrans-61.5-44.9176.600000112R16 R17 L22 K23 G24R16-A20 WeakPolarHBondContact O-CB 3.45Å; R16-A20 PolarHBondContact O-N 3.36Å; R17-A20 PolarHBondContact O-N 2.94Å; A20-L22 PolarHBondContact O-N 2.79Å; A20-K23 PolarHBondContact O-N 3.18Å; A20-G24 PolarHBondContact O-N 3.31Å
21A93.5Very high88.4Confident58 Ų5865.7 Ų65.748%0.47934%0.343SS..Hα-helixtrans-62.2-42175.700000111.9R17 A18 G24 Y25 L251R17-A21 VanDerWaalsContact O-CB 3.25Å; R17-A21 WeakPolarHBondContact O-CB 3.47Å; R17-A21 PolarHBondContact O-N 3.1Å; A18-A21 PolarHBondContact O-N 2.97Å; A21-G24 PolarHBondContact O-N 3.45Å; A21-Y25 WeakPolarHBondContact O-CB 3.41Å; A21-Y25 PolarHBondContact O-N 3.41Å; A21-L251 HydrophobicContact CB-CD1 4.39Å
22L92.3Very high86.4Confident5 Ų567.1 Ų67.13%0.02635%0.35CS..Hα-helixtrans-64.1-45.1177.3-17665.3000111.6A18 V19 A20 Y25 L26 I46 I243 L251A18-L22 VanDerWaalsContact O-CB 3.3Å; A18-L22 WeakPolarHBondContact O-CB 3.36Å; A18-L22 PolarHBondContact O-N 2.71Å; V19-L22 PolarHBondContact O-N 3.41Å; A20-L22 PolarHBondContact O-N 2.79Å; L22-Y25 WeakPolarHBondContact O-CB 3.36Å; L22-Y25 PolarHBondContact O-N 3.05Å; L22-L26 HydrophobicContact CG-CD1 4.3Å; L22-L26 VanDerWaalsContact O-CG 3.31Å; L22-L26 WeakPolarHBondContact O-CG 2.81Å; L22-L26 PolarHBondContact O-N 3.49Å; L22-I46 HydrophobicContact CD2-CG1 4.24Å; L22-I46 HydrophobicContact CD2-CG2 3.86Å; L22-I243 HydrophobicContact CD2-CG2 4.05Å; L22-L251 HydrophobicContact CB-CD1 4.12Å
23K90.6Very high84.4Confident31 Ų3168.2 Ų68.214%0.13536%0.358CS..Hα-helixtrans-61.3-45.7175.4-74.1-16670.9174.60111.9V19 A20 Y25 L26 Q27 I46 N209 Q211 V213 L216V19-K23 WeakPolarHBondContact O-CG 3.41Å; V19-K23 PolarHBondContact O-N 2.98Å; A20-K23 PolarHBondContact O-N 3.18Å; K23-Y25 VanDerWaalsContact C-N 3.27Å; K23-Y25 PolarHBondContact O-N 3.21Å; K23-L26 PolarHBondContact O-N 3.3Å; K23-Q27 WeakPolarHBondContact O-CG 3.48Å; K23-Q27 PolarHBondContact O-N 3.23Å; K23-I46 HydrophobicContact CG-CD1 4.25Å; K23-N209 VanDerWaalsContact CE-O 3.27Å; K23-N209 WeakPolarHBondContact CE-O 3.37Å; K23-N209 PolarHBondContact NZ-O 3.41Å; K23-Q211 PolarHBondContact NZ-O 3.49Å; K23-V213 HydrophobicContact CD-CG2 3.81Å; K23-L216 HydrophobicContact CD-CD1 4.07Å
24G91Very high82Confident27 Ų2772.7 Ų72.728%0.27838%0.38SS..Hα-helixtrans-61.8-35.4176.200000112.7A20 A21 K28A20-G24 PolarHBondContact O-N 3.31Å; A21-G24 PolarHBondContact O-N 3.45Å; G24-K28 WeakPolarHBondContact O-CG 3.43Å; G24-K28 PolarHBondContact O-N 3.02Å
25Y89.9Confident79.6Confident92 Ų9278.5 Ų78.536%0.36140%0.398SS..Hα-helixtrans-67.7-46.3173.6-177.8-96.7000112.2A21 L22 K23 Q27 K28 Q29 H248A21-Y25 WeakPolarHBondContact O-CB 3.41Å; A21-Y25 PolarHBondContact O-N 3.41Å; L22-Y25 WeakPolarHBondContact O-CB 3.36Å; L22-Y25 PolarHBondContact O-N 3.05Å; K23-Y25 VanDerWaalsContact C-N 3.27Å; K23-Y25 PolarHBondContact O-N 3.21Å; Y25-Q27 VanDerWaalsContact C-N 3.32Å; Y25-Q27 PolarHBondContact O-N 3.26Å; Y25-K28 PolarHBondContact O-N 3.14Å; Y25-Q29 HydrophobicContact CD1-CG 3.99Å; Y25-Q29 HydrophobicContact CE1-CG 3.55Å; Y25-Q29 HydrophobicContact CE2-CG 4.21Å; Y25-Q29 HydrophobicContact CG-CG 4.48Å; Y25-Q29 VanDerWaalsContact CZ-NE2 3.32Å; Y25-Q29 WeakPolarHBondContact O-CG 3.37Å; Y25-Q29 PolarHBondContact O-N 3Å; Y25-Q29 PolarHBondContact OH-NE2 3.25Å; Y25-H248 HydrophobicContact CE1-CB 4.35Å; Y25-H248 AromaticContact CE1-ND1 3.78Å
26L86.5Confident77.2Confident15 Ų1584 Ų848%0.07943%0.434CS..Hα-helixtrans-60.7-40.3177.9-72173000112.1L22 K23 Q29 G30 A44 I46 N209 H248L22-L26 HydrophobicContact CG-CD1 4.3Å; L22-L26 VanDerWaalsContact O-CG 3.31Å; L22-L26 WeakPolarHBondContact O-CG 2.81Å; L22-L26 PolarHBondContact O-N 3.49Å; K23-L26 PolarHBondContact O-N 3.3Å; L26-Q29 PolarHBondContact O-N 3.44Å; L26-G30 PolarHBondContact O-N 2.95Å; L26-A44 HydrophobicContact CD1-CB 4.22Å; L26-A44 HydrophobicContact CD2-CB 4.27Å; L26-I46 HydrophobicContact CD1-CD1 4.48Å; L26-I46 HydrophobicContact CD1-CG1 4.43Å; L26-N209 HydrophobicContact CD1-CB 4.31Å; L26-H248 VanDerWaalsContact CD2-CD2 3.45Å; L26-H248 WeakPolarHBondContact CD2-CD2 3.44Å; L26-H248 WeakPolarHBondContact CD2-NE2 3.12Å
27Q85.6Confident74.9Confident124 Ų12482 Ų8258%0.57943%0.429SS*.Hα-helixtrans-62.6-44175.2-73.6174.3-17.300111.9K23 Y25 G30 V31K23-Q27 WeakPolarHBondContact O-CG 3.48Å; K23-Q27 PolarHBondContact O-N 3.23Å; Y25-Q27 VanDerWaalsContact C-N 3.32Å; Y25-Q27 PolarHBondContact O-N 3.26Å; Q27-G30 PolarHBondContact O-N 3.24Å; Q27-V31 WeakPolarHBondContact O-CG2 3.25Å; Q27-V31 PolarHBondContact O-N 3.44Å
28K85.4Confident72.7Confident147 Ų14780 Ų8064%0.63943%0.431SS*.Hα-helixtrans-65.8-39.2177-71.6176.9-178.9-173.70112.7G24 Y25 V31 N32G24-K28 WeakPolarHBondContact O-CG 3.43Å; G24-K28 PolarHBondContact O-N 3.02Å; Y25-K28 PolarHBondContact O-N 3.14Å; K28-V31 PolarHBondContact O-N 3.35Å; K28-N32 PolarHBondContact O-N 2.9Å; K28-N32 PolarHBondContact O-ND2 2.99Å
29Q78.4Confident70.3Confident56 Ų5688 Ų8826%0.26246%0.464SS..Hα-helixtrans-68.7-40177.7-70.6-64.9-22.900112Y25 L26 V31 N32 E33Y25-Q29 HydrophobicContact CD1-CG 3.99Å; Y25-Q29 HydrophobicContact CE1-CG 3.55Å; Y25-Q29 HydrophobicContact CE2-CG 4.21Å; Y25-Q29 HydrophobicContact CG-CG 4.48Å; Y25-Q29 VanDerWaalsContact CZ-NE2 3.32Å; Y25-Q29 WeakPolarHBondContact O-CG 3.37Å; Y25-Q29 PolarHBondContact O-N 3Å; Y25-Q29 PolarHBondContact OH-NE2 3.25Å; L26-Q29 PolarHBondContact O-N 3.44Å; Q29-V31 PolarHBondContact O-N 2.9Å; Q29-N32 PolarHBondContact O-N 3.06Å; Q29-E33 PolarHBondContact O-N 3.32Å
30G67.2Low68Low43 Ų4397.2 Ų97.244%0.44351%0.508SS..Hα-helixtrans-57.9-30.6175.800000113.5L26 Q27L26-G30 PolarHBondContact O-N 2.95Å; Q27-G30 PolarHBondContact O-N 3.24Å
31V55.1Low66Low120 Ų120102 Ų10273%0.72752%0.522SS*.Hα-helixtrans-81.2-28.9175.5178.60000112.4Q27 K28 Q29Q27-V31 WeakPolarHBondContact O-CG2 3.25Å; Q27-V31 PolarHBondContact O-N 3.44Å; K28-V31 PolarHBondContact O-N 3.35Å; Q29-V31 PolarHBondContact O-N 2.9Å
32N50.4Low64.4Low110 Ų110102.5 Ų102.559%0.58853%0.533SS*.Hα-helixtrans-92.3-12.1-174.5-74.8-17.2000114.6K28 Q29 V34K28-N32 PolarHBondContact O-N 2.9Å; K28-N32 PolarHBondContact O-ND2 2.99Å; Q29-N32 PolarHBondContact O-N 3.06Å; N32-V34 PolarHBondContact O-N 3.28Å
33E50.9Low63.5Low93 Ų93104.5 Ų104.544%0.43555%0.545SS..  trans-76.484.1176-74.8-173.5169.900111.4Q29 R35 K37Q29-E33 PolarHBondContact O-N 3.32Å; E33-R35 PolarHBondContact O-N 3.09Å; E33-K37 WeakPolarHBondContact OE2-CE 3.4Å; E33-K37 IonicContact OE2-NZ 3.55Å
34V43.1Very low63.1Low142 Ų142104.5 Ų104.586%0.86155%0.551SS**  trans-67.416.4169.1-174.70000112.3N32N32-V34 PolarHBondContact O-N 3.28Å
35R43.9Very low63Low207 Ų207108.7 Ų108.778%0.78156%0.562SS**SBendtrans-95.9132.7-178.3-66.2-176.2-179-174.50.3109.8E33 K37E33-R35 PolarHBondContact O-N 3.09Å; R35-K37 PolarHBondContact O-N 2.95Å
36P42.9Very low63.1Low116 Ų116104.3 Ų104.375%0.75355%0.545SS*.  trans-63.4106.6174.726.8-32000108.3L38P36-L38 PolarHBondContact O-N 3.24Å
37K47.5Very low63.4Low91 Ų91103.7 Ų103.740%0.39654%0.542SS..  trans-71.396.6179.3-68.7178.2-170.3169.40108.3E33 R35 F39 E41E33-K37 WeakPolarHBondContact OE2-CE 3.4Å; E33-K37 IonicContact OE2-NZ 3.55Å; R35-K37 PolarHBondContact O-N 2.95Å; K37-F39 PolarHBondContact O-N 3.41Å; K37-F39 VanDerWaalsContact O-N 3.14Å; K37-E41 HydrophobicContact CD-CG 4.06Å; K37-E41 IonicContact NZ-OE1 3.7Å; K37-E41 PolarHBondContact NZ-OE1 3.3Å
38L48.8Very low63.9Low144 Ų14497.9 Ų97.975%0.75452%0.515SS*.  trans-745.4-174.4-141.282.3000114.5P36P36-L38 PolarHBondContact O-N 3.24Å
39F43.9Very low64.4Low180 Ų18092.2 Ų92.279%0.78949%0.493SS*.SBendtrans-144.8141.5173.2-63.8-76.6000108.7K37K37-F39 PolarHBondContact O-N 3.41Å; K37-F39 VanDerWaalsContact O-N 3.14Å
40E46.6Very low65.1Low194 Ų19489.6 Ų89.691%0.90748%0.48SS*.  trans-40.2136.2-176.4-64.9174.1169.700112.2G42E40-G42 PolarHBondContact O-N 3.19Å
41E52.7Low66.4Low146 Ų14688.8 Ų88.868%0.68247%0.466SS*.  trans-58.683.3179-67.3-166.9135.700110.7K37 V43K37-E41 HydrophobicContact CD-CG 4.06Å; K37-E41 IonicContact NZ-OE1 3.7Å; K37-E41 PolarHBondContact NZ-OE1 3.3Å; E41-V43 PolarHBondContact O-N 3.36Å
42G60.3Low68.3Low69 Ų6983.5 Ų83.571%0.71143%0.434SS*.  trans-59.5114.817200000107.4E40 A44E40-G42 PolarHBondContact O-N 3.19Å; G42-A44 PolarHBondContact O-N 2.82Å
43V72.9Confident70.2Confident47 Ų4779.2 Ų79.229%0.28541%0.41SS..PPolyproline II helixtrans-48.3120.4179.8-177.60000108.9E41 K45 N208 N210E41-V43 PolarHBondContact O-N 3.36Å; V43-K45 PolarHBondContact O-N 3.1Å; V43-K45 VanDerWaalsContact O-N 3.08Å; V43-N208 HydrophobicContact CG1-CB 3.74Å; V43-N210 HydrophobicContact CG1-CB 4.43Å
44A82.3Confident72Confident32 Ų3278.1 Ų78.126%0.26441%0.406SS..PPolyproline II helixtrans-57.6118.8-175.500000109.9L26 G42 N209L26-A44 HydrophobicContact CD1-CB 4.22Å; L26-A44 HydrophobicContact CD2-CB 4.27Å; G42-A44 PolarHBondContact O-N 2.82Å; A44-N209 HydrophobicContact CB-CB 4.2Å; A44-N209 PolarHBondContact O-N 3.24Å
45K88.6Confident74.2Confident115 Ų11574 Ų7450%0.538%0.379SS..EExtended strand (participates in β ladder)trans-83134.8-178.1-58.7-175.4-175.5178.20109.1V43 I205 S245V43-K45 PolarHBondContact O-N 3.1Å; V43-K45 VanDerWaalsContact O-N 3.08Å; K45-I205 HydrophobicContact CB-CD1 4.29Å; K45-I205 HydrophobicContact CB-CG2 4.01Å; K45-I205 HydrophobicContact CD-CD1 3.95Å; K45-S245 WeakPolarHBondContact O-CA 3.22Å; K45-S245 WeakPolarHBondContact O-CB 3.46Å; K45-S245 PolarHBondContact O-OG 2.91Å
46I92.4Very high76.2Confident0 Ų064.3 Ų64.30%034%0.343CS..EExtended strand (participates in β ladder)trans-105.7127.3177.4-61172.5000108.1L22 K23 L26 I205 F206 G207 L216 I243L22-I46 HydrophobicContact CD2-CG1 4.24Å; L22-I46 HydrophobicContact CD2-CG2 3.86Å; K23-I46 HydrophobicContact CG-CD1 4.25Å; L26-I46 HydrophobicContact CD1-CD1 4.48Å; L26-I46 HydrophobicContact CD1-CG1 4.43Å; I46-I205 WeakPolarHBondContact O-CG2 3.34Å; I46-F206 HydrophobicContact CG2-CE1 4.16Å; I46-F206 HydrophobicContact CG2-CE2 4.05Å; I46-F206 HydrophobicContact CG2-CZ 3.63Å; I46-F206 PolarHBondContact O-N 2.94Å; I46-G207 PolarHBondContact N-O 3.48Å; I46-G207 PolarHBondContact O-N 2.98Å; I46-L216 HydrophobicContact CD1-CD1 3.71Å; I46-I243 HydrophobicContact CG2-CG2 4.23Å
47G93.5Very high78.1Confident2 Ų263.1 Ų63.12%0.02133%0.333CS..EExtended strand (participates in β ladder)trans-140.5173.1-178.200000113.1F204 F206 H244G47-F204 CarbonylContact C-O 3.47Å; G47-F204 WeakPolarHBondContact CA-O 3.38Å; G47-F206 VanDerWaalsContact C-CE1 3.44Å; G47-H244 PolarHBondContact N-O 3.11Å; G47-H244 PolarHBondContact O-N 3.22Å
48A94.9Very high79.8Confident1 Ų161.2 Ų61.21%0.00834%0.335CS..EExtended strand (participates in β ladder)trans-122.2145.9174.800000110.5H203 F204 F206 F220 Y242A48-H203 WeakPolarHBondContact O-CA 3.33Å; A48-H203 PolarHBondContact O-ND1 2.71Å; A48-F204 HydrophobicContact CB-CD2 4.48Å; A48-F204 HydrophobicContact CB-CE1 4.06Å; A48-F204 HydrophobicContact CB-CE2 3.87Å; A48-F204 HydrophobicContact CB-CZ 3.65Å; A48-F204 PolarHBondContact N-O 2.89Å; A48-F204 PolarHBondContact O-N 3.01Å; A48-F206 HydrophobicContact CB-CD1 4.24Å; A48-F206 HydrophobicContact CB-CE1 3.97Å; A48-F220 HydrophobicContact CB-CE2 4.01Å; A48-Y242 CarbonylContact C-O 3.49Å; A48-Y242 WeakPolarHBondContact CA-O 3.37Å
49T95.1Very high81.4Confident29 Ų2956 Ų5618%0.17831%0.306CS..EExtended strand (participates in β ladder)trans-110.3124.1167.9-65.40000109.1Y202 H203 Y242 H244T49-Y202 CarbonylContact C-O 3.49Å; T49-Y202 WeakPolarHBondContact CA-O 3.48Å; T49-H203 PolarHBondContact OG1-ND1 3.14Å; T49-Y242 PolarHBondContact N-O 2.92Å; T49-Y242 PolarHBondContact O-N 3.47Å; T49-H244 PolarHBondContact OG1-CD2 2.78Å; T49-H244 PolarHBondContact OG1-NE2 3.09Å
50V94.6Very high83.3Confident0 Ų049.9 Ų49.90%028%0.283CS..EExtended strand (participates in β ladder)trans-102.8120.2175.2-171.80000108.4L52 K201 Y202 F204 W227 V238 L241V50-L52 HydrophobicContact CG1-CD2 3.89Å; V50-K201 CarbonylContact O-C 3.54Å; V50-K201 WeakPolarHBondContact O-CA 3.22Å; V50-Y202 PolarHBondContact N-O 3.39Å; V50-Y202 PolarHBondContact O-N 3.5Å; V50-F204 HydrophobicContact CG2-CD1 4.16Å; V50-F204 HydrophobicContact CG2-CE1 3.55Å; V50-W227 HydrophobicContact CB-CH2 4.17Å; V50-W227 HydrophobicContact CB-CZ2 4.34Å; V50-W227 HydrophobicContact CG1-CH2 4.1Å; V50-W227 HydrophobicContact CG1-CZ2 3.76Å; V50-W227 HydrophobicContact CG2-CH2 4.22Å; V50-W227 HydrophobicContact CG2-CZ3 4.31Å; V50-V238 HydrophobicContact CG1-CB 4.44Å; V50-V238 HydrophobicContact CG1-CG1 3.88Å; V50-V238 HydrophobicContact CG1-CG2 3.88Å; V50-L241 HydrophobicContact CB-CD2 3.91Å; V50-L241 HydrophobicContact CG1-CD2 3.69Å; V50-L241 HydrophobicContact CG2-CD2 3.55Å
51N94.7Very high84.9Confident26 Ų2643.2 Ų43.214%0.13927%0.267CS..EExtended strand (participates in β ladder)trans-100.4140.9169.3-57.8-30.5000109.4D200 K201 R239 S240 Y242N51-D200 CarbonylContact C-O 3.58Å; N51-K201 WeakPolarHBondContact OD1-CD 3.37Å; N51-K201 VanDerWaalsContact OD1-CG 3.26Å; N51-K201 WeakPolarHBondContact OD1-CG 3.37Å; N51-R239 PolarHBondContact O-N 3.14Å; N51-S240 WeakPolarHBondContact CB-OG 3.35Å; N51-S240 PolarHBondContact N-O 2.98Å; N51-S240 PolarHBondContact ND2-OG 3.37Å; N51-S240 PolarHBondContact O-N 3.32Å; N51-Y242 WeakPolarHBondContact ND2-CE2 3.48Å
52L93.5Very high86.4Confident10 Ų1038.4 Ų38.45%0.05225%0.247CC..EExtended strand (participates in β ladder)trans-105.8151-177.1-54.7-174.4000111.9V50 P56 D200 Y202 W227 F231 I237 V238V50-L52 HydrophobicContact CG1-CD2 3.89Å; L52-P56 HydrophobicContact CD1-CG 4.36Å; L52-D200 WeakPolarHBondContact CB-O 3.31Å; L52-D200 WeakPolarHBondContact CG-O 3.21Å; L52-D200 PolarHBondContact N-O 3.35Å; L52-Y202 HydrophobicContact CD1-CD2 3.85Å; L52-Y202 HydrophobicContact CD1-CE2 3.48Å; L52-Y202 VanDerWaalsContact CD1-CE2 3.48Å; L52-Y202 HydrophobicContact CG-CD2 4.22Å; L52-Y202 HydrophobicContact CG-CE2 4.3Å; L52-W227 HydrophobicContact CD2-CZ2 4.02Å; L52-F231 HydrophobicContact CD1-CE1 3.7Å; L52-F231 HydrophobicContact CD1-CZ 3.61Å; L52-F231 HydrophobicContact CD2-CE1 4.16Å; L52-F231 HydrophobicContact CD2-CZ 4.42Å; L52-I237 CarbonylContact C-O 3.57Å; L52-I237 VanDerWaalsContact CA-O 3.31Å; L52-I237 WeakPolarHBondContact CA-O 3.34Å; L52-I237 HydrophobicContact CB-CG1 4.24Å; L52-I237 HydrophobicContact CD1-CD1 4.47Å; L52-I237 HydrophobicContact CD1-CG1 4.49Å; L52-I237 HydrophobicContact CD2-CG1 4.33Å; L52-I237 HydrophobicContact CD2-CG2 4.27Å; L52-V238 HydrophobicContact CD2-CG2 4.47Å
53K91.1Very high87.7Confident20 Ų2037.5 Ų37.59%0.08723%0.228CC..SBendtrans-74.8-31.8171.4-63.5178-172153.10112.3E8 S236 I237 V238 R239 S256 S260 V263E8-K53 IonicContact OE1-NZ 3.91Å; E8-K53 PolarHBondContact OE1-NZ 2.98Å; E8-K53 IonicContact OE2-NZ 2.63Å; K53-S236 WeakPolarHBondContact CD-O 3.3Å; K53-S236 PolarHBondContact NZ-O 3.12Å; K53-I237 PolarHBondContact N-O 3.16Å; K53-V238 WeakPolarHBondContact CE-O 3.37Å; K53-R239 HydrophobicContact CG-CB 3.71Å; K53-R239 HydrophobicContact CG-CG 4.29Å; K53-S256 WeakPolarHBondContact CE-OG 3.27Å; K53-S256 PolarHBondContact NZ-OG 3.31Å; K53-S260 PolarHBondContact O-OG 3.49Å; K53-V263 HydrophobicContact CB-CG2 4.27Å; K53-V263 HydrophobicContact CD-CG2 3.91Å
54L89.3Confident88.4Confident70 Ų7035.6 Ų35.637%0.36622%0.216SC..SBendtrans-141.7144.5-175.7-175.162.9000110.7P56 L265L54-P56 WeakPolarHBondContact O-CD 3.41Å; L54-L265 HydrophobicContact CD2-CD1 3.47Å; L54-L265 VanDerWaalsContact CD2-CD1 3.47Å; L54-L265 HydrophobicContact CD2-CG 3.84Å; L54-L265 HydrophobicContact CG-CD1 4Å
55I89.6Confident88.8Confident55 Ų5536.2 Ų36.228%0.28222%0.219SC..  trans-84.9118.7179.4-61.9171.9000109.8T57 D200I55-T57 VanDerWaalsContact C-N 3.33Å; I55-T57 HydrophobicContact CG2-CG2 4.03Å; I55-T57 PolarHBondContact O-N 3.27Å; I55-D200 HydrophobicContact CD1-CB 4.46Å; I55-D200 HydrophobicContact CG1-CB 4.03Å
56P84.9Confident89Confident4 Ų431 Ų313%0.02620%0.197CC..  trans-77.376.5178.931.6-36000112.3L52 L54 A58 F59 M195 F231 P232 L265L52-P56 HydrophobicContact CD1-CG 4.36Å; L54-P56 WeakPolarHBondContact O-CD 3.41Å; P56-A58 VanDerWaalsContact C-N 3.29Å; P56-A58 PolarHBondContact O-N 3.25Å; P56-F59 HydrophobicContact CB-CD2 4.21Å; P56-F59 PolarHBondContact O-N 3.35Å; P56-M195 HydrophobicContact CB-CE 3.68Å; P56-M195 HydrophobicContact CG-CE 3.2Å; P56-F231 HydrophobicContact CG-CE1 4.2Å; P56-F231 HydrophobicContact CG-CZ 4.09Å; P56-P232 HydrophobicContact CB-CG 3.61Å; P56-P232 HydrophobicContact CG-CG 4.28Å; P56-L265 HydrophobicContact CB-CD2 4.13Å
57T83.6Confident88.9Confident90 Ų9035.4 Ų35.455%0.55222%0.22SC*.G310 helixtrans-63.1-26.9-175.155.70000114.7I55 F59 V60I55-T57 VanDerWaalsContact C-N 3.33Å; I55-T57 HydrophobicContact CG2-CG2 4.03Å; I55-T57 PolarHBondContact O-N 3.27Å; T57-F59 VanDerWaalsContact C-N 3.34Å; T57-F59 PolarHBondContact O-N 3.03Å; T57-V60 WeakPolarHBondContact O-CG2 3.47Å
58A82.5Confident88.8Confident52 Ų5235.9 Ų35.943%0.4322%0.222SC..G310 helixtrans-75-21.4-179.500000113.9P56 R268P56-A58 VanDerWaalsContact C-N 3.29Å; P56-A58 PolarHBondContact O-N 3.25Å; A58-R268 HydrophobicContact CB-CB 4.37Å; A58-R268 WeakPolarHBondContact O-CD 3.12Å; A58-R268 PolarHBondContact O-NH1 2.92Å; A58-R268 VanDerWaalsContact O-NH1 3.16Å
59F82.1Confident88.7Confident33 Ų3339.4 Ų39.415%0.14525%0.245CC..G310 helixtrans-102.811.3-169-63.6-88.6000113.9P56 T57 G61 T62 M195 P232 G266 R268P56-F59 HydrophobicContact CB-CD2 4.21Å; P56-F59 PolarHBondContact O-N 3.35Å; T57-F59 VanDerWaalsContact C-N 3.34Å; T57-F59 PolarHBondContact O-N 3.03Å; F59-G61 PolarHBondContact O-N 3.46Å; F59-T62 WeakPolarHBondContact O-CB 3.18Å; F59-T62 PolarHBondContact O-N 2.63Å; F59-T62 PolarHBondContact O-OG1 2.92Å; F59-M195 HydrophobicContact CB-CE 3.68Å; F59-M195 HydrophobicContact CB-SD 3.78Å; F59-P232 HydrophobicContact CB-CG 4.26Å; F59-P232 HydrophobicContact CD1-CB 4.45Å; F59-P232 HydrophobicContact CD1-CG 4.44Å; F59-P232 HydrophobicContact CD2-CB 3.6Å; F59-P232 HydrophobicContact CD2-CG 3.58Å; F59-P232 HydrophobicContact CE1-CB 4.3Å; F59-P232 HydrophobicContact CE2-CB 3.41Å; F59-P232 VanDerWaalsContact CE2-CB 3.41Å; F59-P232 HydrophobicContact CE2-CG 3.96Å; F59-P232 HydrophobicContact CG-CB 4.12Å; F59-P232 HydrophobicContact CG-CG 3.84Å; F59-P232 HydrophobicContact CZ-CB 3.78Å; F59-G266 WeakPolarHBondContact CE2-O 3.4Å; F59-G266 WeakPolarHBondContact CZ-O 3.36Å; F59-R268 HydrophobicContact CD1-CB 4.23Å; F59-R268 HydrophobicContact CD1-CG 4.36Å; F59-R268 HydrophobicContact CE1-CB 3.84Å; F59-R268 HydrophobicContact CE1-CG 4.24Å; F59-R268 HydrophobicContact CZ-CB 4.09Å
60V83.3Confident88.5Confident52 Ų5241.2 Ų41.232%0.31525%0.252SS..THydrogen-bonded Turntrans-52.8132.7178.4178.90000111.3T57 T62 K197 R268T57-V60 WeakPolarHBondContact O-CG2 3.47Å; V60-T62 VanDerWaalsContact C-N 3.33Å; V60-K197 HydrophobicContact CG1-CB 3.96Å; V60-K197 HydrophobicContact CG1-CG 4.48Å; V60-K197 HydrophobicContact CG2-CB 4.17Å; V60-K197 HydrophobicContact CG2-CG 4.18Å; V60-R268 PolarHBondContact O-NH1 3.1Å
61G80.9Confident88.1Confident54 Ų5446.9 Ų46.956%0.55727%0.273SS*.THydrogen-bonded Turntrans85.1-0.8-177.900000114.7F59 M195F59-G61 PolarHBondContact O-N 3.46Å; G61-M195 PolarHBondContact N-O 3.28Å
62T84.4Confident87.6Confident45 Ų4546.4 Ų46.428%0.27627%0.27SS..  trans-74.9131.5172.1-50.70000108.9F59 V60 M195F59-T62 WeakPolarHBondContact O-CB 3.18Å; F59-T62 PolarHBondContact O-N 2.63Å; F59-T62 PolarHBondContact O-OG1 2.92Å; V60-T62 VanDerWaalsContact C-N 3.33Å; T62-M195 WeakPolarHBondContact O-CB 3.37Å; T62-M195 WeakPolarHBondContact O-CG 3.47Å; T62-M195 PolarHBondContact O-N 3.07Å
63V87.3Confident87.2Confident50 Ų5047.5 Ų47.530%0.30328%0.275SS..EExtended strand (participates in β ladder)trans-106.4121.5175-178.90000107.3R192 T194V63-R192 HydrophobicContact CG1-CB 4.42Å; V63-T194 HydrophobicContact CG2-CG2 4.15Å
64I88.3Confident86.8Confident8 Ų848.7 Ų48.74%0.04129%0.286CS..EExtended strand (participates in β ladder)trans-95.1114.5171.3-62.4167.7000106.1R192 V193 M195 K230 F231I64-R192 CarbonylContact O-C 3.59Å; I64-R192 WeakPolarHBondContact O-CA 3.35Å; I64-V193 PolarHBondContact N-O 3.36Å; I64-V193 PolarHBondContact O-N 2.81Å; I64-M195 HydrophobicContact CD1-SD 4.29Å; I64-K230 HydrophobicContact CG1-CB 4.47Å; I64-K230 HydrophobicContact CG2-CB 4.44Å; I64-F231 HydrophobicContact CD1-CB 4.16Å; I64-F231 HydrophobicContact CD1-CD2 3.33Å; I64-F231 HydrophobicContact CD1-CE2 4.05Å; I64-F231 HydrophobicContact CD1-CG 4.15Å
65S90.6Very high86.3Confident45 Ų4546.2 Ų46.232%0.31527%0.274SS..EExtended strand (participates in β ladder)trans-116135.7176.862.10000110.2V191S65-V191 CarbonylContact C-O 3.59Å; S65-V191 WeakPolarHBondContact CA-O 3.48Å
66V92.2Very high85.9Confident6 Ų651.1 Ų51.14%0.03630%0.296CS..EExtended strand (participates in β ladder)trans-124.1130.7179.4-176.70000108.5R190 V191 V223 K226V66-R190 VanDerWaalsContact O-CA 3.29Å; V66-R190 WeakPolarHBondContact O-CA 3.28Å; V66-V191 PolarHBondContact N-O 3.09Å; V66-V191 PolarHBondContact O-N 3.32Å; V66-V223 HydrophobicContact CB-CG2 4.38Å; V66-V223 HydrophobicContact CG1-CG2 4.27Å; V66-K226 HydrophobicContact CB-CB 4.48Å; V66-K226 HydrophobicContact CB-CG 4.31Å; V66-K226 HydrophobicContact CG1-CB 4.33Å; V66-K226 HydrophobicContact CG1-CG 3.79Å; V66-K226 HydrophobicContact CG2-CB 3.43Å; V66-K226 VanDerWaalsContact CG2-CB 3.43Å; V66-K226 HydrophobicContact CG2-CG 3.74Å
67N91.3Very high85.8Confident91 Ų9157.4 Ų57.449%0.48733%0.325SS..EExtended strand (participates in β ladder)trans-83.3123.6165.5-67.8-0.1000106.7R190N67-R190 VanDerWaalsContact OD1-CD 3.26Å; N67-R190 WeakPolarHBondContact OD1-CD 3.06Å; N67-R190 VanDerWaalsContact OD1-CG 3.31Å; N67-R190 WeakPolarHBondContact OD1-CG 3.4Å; N67-R190 PolarHBondContact OD1-NE 3.18Å
68V91.6Very high86Confident12 Ų1254.4 Ų54.47%0.07331%0.306CS..  trans-93.2142.3-177.1170.40000109.3H70 V191 N219 V223V68-H70 WeakPolarHBondContact CG1-O 3.07Å; V68-V191 HydrophobicContact CG2-CB 4.13Å; V68-V191 HydrophobicContact CG2-CG2 3.41Å; V68-V191 VanDerWaalsContact CG2-CG2 3.41Å; V68-N219 HydrophobicContact CG1-CB 3.43Å; V68-N219 VanDerWaalsContact CG1-CB 3.43Å; V68-N219 WeakPolarHBondContact CG1-ND2 3.18Å; V68-N219 WeakPolarHBondContact CG1-OD1 3.41Å; V68-V223 HydrophobicContact CG2-CG2 4.06Å
69P91Very high86.4Confident75 Ų7553.4 Ų53.449%0.48730%0.296SS..SBendtrans-62.5-46.8-178.821.5-31.1000112.4A218 N219 A222P69-A218 HydrophobicContact CG-CB 4.27Å; P69-N219 WeakPolarHBondContact CG-OD1 3.25Å; P69-A222 HydrophobicContact CG-CB 4.48Å
70H90.9Very high86.9Confident68 Ų6851.8 Ų51.832%0.31529%0.289SS..SBendtrans-101.6107.6178.8-54-82.3000110.9V68 F72 Q211 E215 N219V68-H70 WeakPolarHBondContact CG1-O 3.07Å; H70-F72 PolarHBondContact O-N 3.22Å; H70-Q211 PolarHBondContact O-NE2 2.74Å; H70-E215 HydrophobicContact CB-CB 4.1Å; H70-E215 HydrophobicContact CB-CG 4.36Å; H70-E215 IonicContact ND1-OE1 3.11Å; H70-N219 WeakPolarHBondContact CB-OD1 3.35Å; H70-N219 PolarHBondContact CD2-OD1 3.08Å; H70-N219 PolarHBondContact N-OD1 2.91Å; H70-N219 PolarHBondContact O-ND2 3.44Å; H70-N219 PolarHBondContact O-OD1 3.45Å
71R86.8Confident87.4Confident118 Ų11849.3 Ų49.345%0.44527%0.274SS..  trans-65.5126.1179.4-60.1-175.6-166.3165.212.6109.5S185 S189 Q211R71-S185 PolarHBondContact NH1-OG 3.15Å; R71-S189 VanDerWaalsContact CB-OG 3.3Å; R71-S189 WeakPolarHBondContact CB-OG 3.27Å; R71-S189 WeakPolarHBondContact CD-OG 3.46Å; R71-S189 VanDerWaalsContact CG-OG 3.3Å; R71-S189 WeakPolarHBondContact CG-OG 3.42Å; R71-Q211 PolarHBondContact O-NE2 2.95Å; R71-Q211 VanDerWaalsContact O-NE2 3.09Å
72F85Confident88.1Confident17 Ų1746.9 Ų46.98%0.07525%0.248CC..  trans-106.3-5178.662.8-87.7000113H70 V191 I205 N208H70-F72 PolarHBondContact O-N 3.22Å; F72-V191 HydrophobicContact CE1-CG2 3.89Å; F72-V191 HydrophobicContact CZ-CG2 4.19Å; F72-I205 HydrophobicContact CD2-CG2 4.39Å; F72-I205 HydrophobicContact CE2-CB 4.5Å; F72-I205 HydrophobicContact CE2-CG2 3.71Å; F72-I205 HydrophobicContact CZ-CG2 4.17Å; F72-N208 HydrophobicContact CB-CB 4.49Å; F72-N208 PolarHBondContact O-ND2 3.16Å
73I84.7Confident88.6Confident32 Ų3244.7 Ų44.716%0.16424%0.235CC..  trans-123.4112.1176.1-58.7175.3000108V78 V188 S189I73-V78 HydrophobicContact CG2-CB 4.19Å; I73-V78 HydrophobicContact CG2-CG2 3.37Å; I73-V188 HydrophobicContact CB-CG1 4Å; I73-V188 HydrophobicContact CG2-CG1 3.45Å; I73-V188 VanDerWaalsContact CG2-CG1 3.45Å; I73-S189 PolarHBondContact O-OG 2.92Å
74S81.9Confident88.8Confident45 Ų4542.5 Ų42.532%0.31522%0.222SC..  trans-73.1132168-51.40000108.7Q76 E77S74-Q76 PolarHBondContact O-N 2.92Å; S74-E77 VanDerWaalsContact CB-OE1 3.27Å; S74-E77 WeakPolarHBondContact CB-OE1 3.1Å; S74-E77 PolarHBondContact O-N 3.07Å; S74-E77 PolarHBondContact OG-OE1 3.09Å
75P79.6Confident88.8Confident18 Ų1848.1 Ų48.112%0.11724%0.242CC..THydrogen-bonded Turntrans-67.1-14.6179.228.8-35.3000113.4L80 C114P75-L80 HydrophobicContact CB-CD1 3.96Å; P75-L80 WeakPolarHBondContact O-CD1 3.27Å; P75-C114 HydrophobicContact CB-CB 4.08Å
76Q81.6Confident88.7Confident159 Ų15947 Ų4774%0.74323%0.233SC*.THydrogen-bonded Turntrans-84.8-25179.1-66.3156.5-9.800113.2S74 V78S74-Q76 PolarHBondContact O-N 2.92Å; Q76-V78 VanDerWaalsContact C-N 3.32Å
77E83.2Confident88.2Confident135 Ų13550.4 Ų50.463%0.63125%0.25SC*.SBendtrans-85.1-9.2-179.9-68.5166.1-146.700112.4S74S74-E77 VanDerWaalsContact CB-OE1 3.27Å; S74-E77 WeakPolarHBondContact CB-OE1 3.1Å; S74-E77 PolarHBondContact O-N 3.07Å; S74-E77 PolarHBondContact OG-OE1 3.09Å
78V86.2Confident87.3Confident27 Ų2747.6 Ų47.616%0.16424%0.235CC..SBendtrans-123.6134.9-168176.50000110.3I73 Q76 L80 D142 V143I73-V78 HydrophobicContact CG2-CB 4.19Å; I73-V78 HydrophobicContact CG2-CG2 3.37Å; Q76-V78 VanDerWaalsContact C-N 3.32Å; V78-L80 PolarHBondContact O-N 3.39Å; V78-D142 HydrophobicContact CG1-CB 3.47Å; V78-D142 VanDerWaalsContact CG1-CB 3.47Å; V78-V143 HydrophobicContact CG1-CB 4.27Å; V78-V143 HydrophobicContact CG1-CG2 3.78Å
79S91Very high86.1Confident31 Ų3154.3 Ų54.322%0.21727%0.266CS..  trans-71.9118.4178.759.50000111.8D116 Y141 D142 V143S79-D116 WeakPolarHBondContact CA-OD2 3.37Å; S79-Y141 WeakPolarHBondContact OG-CA 3.48Å; S79-D142 PolarHBondContact N-OD2 2.72Å; S79-D142 PolarHBondContact O-N 2.76Å; S79-D142 VanDerWaalsContact O-N 3.16Å; S79-D142 VanDerWaalsContact OG-CG 3.28Å; S79-D142 PolarHBondContact OG-N 2.82Å; S79-D142 PolarHBondContact OG-OD2 2.77Å; S79-V143 PolarHBondContact O-N 3.5Å; S79-V143 VanDerWaalsContact O-N 3.12Å
80L93.4Very high84.8Confident0 Ų057.4 Ų57.40%027%0.273CS..EExtended strand (participates in β ladder)trans-114.1120.5-171.1-74.4169.7000112.3P75 V78 C114 D116 F117 V143 L145 I184 V188P75-L80 HydrophobicContact CB-CD1 3.96Å; P75-L80 WeakPolarHBondContact O-CD1 3.27Å; V78-L80 PolarHBondContact O-N 3.39Å; L80-C114 WeakPolarHBondContact CB-O 3.3Å; L80-C114 HydrophobicContact CD1-CB 4.3Å; L80-C114 WeakPolarHBondContact CD1-O 3.17Å; L80-D116 PolarHBondContact N-OD2 2.95Å; L80-D116 PolarHBondContact O-N 3.38Å; L80-D116 VanDerWaalsContact O-N 3.11Å; L80-F117 PolarHBondContact O-N 2.79Å; L80-V143 HydrophobicContact CD2-CB 3.52Å; L80-V143 HydrophobicContact CD2-CG1 3.56Å; L80-L145 HydrophobicContact CD2-CD1 4.19Å; L80-L145 HydrophobicContact CD2-CG 4.29Å; L80-I184 HydrophobicContact CD1-CG2 4.24Å; L80-V188 HydrophobicContact CD1-CG2 4.06Å; L80-V188 HydrophobicContact CD2-CG2 3.6Å
81C94.5Very high83.5Confident0 Ų064.4 Ų64.40%030%0.297CS..EExtended strand (participates in β ladder)trans-108.1123.2173.31770000111.3F117 Y141 V143 F144 L145C81-F117 CarbonylContact C-O 3.44Å; C81-F117 VanDerWaalsContact CA-O 3.3Å; C81-F117 WeakPolarHBondContact CA-O 3.44Å; C81-Y141 HydrophobicContact CB-CD1 4.07Å; C81-Y141 HydrophobicContact CB-CD2 3.84Å; C81-Y141 HydrophobicContact CB-CE2 4.42Å; C81-Y141 HydrophobicContact CB-CG 3.66Å; C81-V143 PolarHBondContact N-O 3.06Å; C81-F144 HydrophobicContact CB-CD1 3.68Å; C81-F144 HydrophobicContact CB-CE1 3.68Å; C81-F144 HydrophobicContact CB-CG 4.5Å; C81-F144 HydrophobicContact CB-CZ 4.5Å; C81-F144 CarbonylContact O-C 3.53Å; C81-F144 WeakPolarHBondContact O-CA 3.43Å; C81-L145 PolarHBondContact O-N 2.71Å
82L94.5Very high82.2Confident2 Ų267.6 Ų67.61%0.0131%0.314CS..EExtended strand (participates in β ladder)trans-103.5120.3178.3-177.965.8000111.5V84 V103 L107 V115 F117 V118 I119 L145 I175L82-V84 HydrophobicContact CD2-CG2 3.94Å; L82-V84 HydrophobicContact CG-CG2 3.73Å; L82-V103 HydrophobicContact CD2-CG1 4.42Å; L82-L107 HydrophobicContact CD2-CD1 4Å; L82-V115 HydrophobicContact CB-CG1 3.65Å; L82-V115 HydrophobicContact CD2-CG1 4.48Å; L82-F117 PolarHBondContact N-O 3.07Å; L82-V118 HydrophobicContact CB-CG2 4.5Å; L82-V118 WeakPolarHBondContact O-CA 3.26Å; L82-I119 PolarHBondContact O-N 2.77Å; L82-L145 HydrophobicContact CD1-CB 3.63Å; L82-I175 HydrophobicContact CD1-CD1 4.07Å; L82-I175 HydrophobicContact CD1-CG1 4.47Å; L82-I175 HydrophobicContact CD2-CD1 3.88Å; L82-I175 HydrophobicContact CD2-CG1 4.47Å; L82-I175 HydrophobicContact CG-CD1 4.24Å
83I94.4Very high81.2Confident0 Ų074.2 Ų74.20%035%0.345CS..EExtended strand (participates in β ladder)trans-96.9120.9177.1-51.8175.9000109.7I119 M121 F144 L145 V146 D147 L150 L155 P170I83-I119 CarbonylContact C-O 3.55Å; I83-I119 VanDerWaalsContact CA-O 3.27Å; I83-I119 WeakPolarHBondContact CA-O 3.45Å; I83-I119 HydrophobicContact CB-CG2 4.19Å; I83-I119 HydrophobicContact CG1-CG2 3.66Å; I83-I119 HydrophobicContact CG2-CG2 4.42Å; I83-M121 HydrophobicContact CG2-SD 3.94Å; I83-F144 HydrophobicContact CD1-CD1 4.32Å; I83-L145 PolarHBondContact N-O 2.82Å; I83-V146 HydrophobicContact CB-CG2 3.77Å; I83-V146 HydrophobicContact CD1-CG2 3.97Å; I83-V146 HydrophobicContact CG1-CG2 4.24Å; I83-V146 HydrophobicContact CG2-CG2 4.37Å; I83-V146 WeakPolarHBondContact O-CA 3.44Å; I83-D147 PolarHBondContact O-N 3.41Å; I83-L150 HydrophobicContact CG2-CD1 4Å; I83-L155 HydrophobicContact CD1-CD1 4.09Å; I83-L155 HydrophobicContact CD1-CD2 4.15Å; I83-L155 HydrophobicContact CG2-CD1 4.13Å; I83-L155 HydrophobicContact CG2-CD2 4.46Å; I83-P170 HydrophobicContact CD1-CB 4.47Å; I83-P170 HydrophobicContact CD1-CG 3.86Å
84V92.3Very high80.5Confident4 Ų475.2 Ų75.22%0.02435%0.347CS..EExtended strand (participates in β ladder)trans-122.2156.4-170.3-165.20000111.8L82 V103 V118 I119 M121 I175L82-V84 HydrophobicContact CD2-CG2 3.94Å; L82-V84 HydrophobicContact CG-CG2 3.73Å; V84-V103 HydrophobicContact CB-CG2 4.34Å; V84-V103 HydrophobicContact CG1-CG1 4.41Å; V84-V103 HydrophobicContact CG1-CG2 3.7Å; V84-V103 HydrophobicContact CG2-CG1 3.95Å; V84-V103 HydrophobicContact CG2-CG2 4.43Å; V84-V118 HydrophobicContact CG2-CG1 3.8Å; V84-I119 PolarHBondContact N-O 2.81Å; V84-M121 PolarHBondContact O-N 3.5Å; V84-I175 HydrophobicContact CG1-CD1 4.07Å; V84-I175 HydrophobicContact CG2-CD1 3.97Å
85R89Confident80.3Confident125 Ų12576.8 Ų76.847%0.47235%0.352SS..  trans-71.8139.9172.8-177-178.6164.2166.7-4.4110.2I87 L150R85-I87 PolarHBondContact O-N 3.44Å; R85-L150 HydrophobicContact CB-CD2 3.64Å; R85-L150 HydrophobicContact CB-CG 3.97Å; R85-L150 HydrophobicContact CG-CD2 4Å
86D86.9Confident80.3Confident21 Ų2178.3 Ų78.311%0.11236%0.355CS..  trans-62.6129171.2-47.4-41.6000109.5Y94 S120 M121 S122D86-Y94 HydrophobicContact CB-CD1 3.94Å; D86-Y94 HydrophobicContact CB-CE1 3.62Å; D86-S120 WeakPolarHBondContact OD1-CB 3.41Å; D86-S120 PolarHBondContact OD1-OG 3.02Å; D86-M121 PolarHBondContact OD1-N 3.19Å; D86-M121 VanDerWaalsContact OD1-N 3.09Å; D86-S122 PolarHBondContact OD1-N 3.04Å; D86-S122 WeakPolarHBondContact OD2-CB 3.34Å; D86-S122 PolarHBondContact OD2-N 3.12Å; D86-S122 PolarHBondContact OD2-OG 3.05Å
87I82.7Confident80.5Confident78 Ų7873.7 Ų73.740%0.434%0.336SS..SBendtrans-74.6-43.1179.8-60.6173.9000109.2R85 Q89 S99 F102R85-I87 PolarHBondContact O-N 3.44Å; I87-Q89 PolarHBondContact O-N 2.8Å; I87-S99 PolarHBondContact N-OG 2.71Å; I87-S99 VanDerWaalsContact N-OG 3.07Å; I87-F102 HydrophobicContact CD1-CB 3.4Å; I87-F102 HydrophobicContact CD1-CD1 3.1Å; I87-F102 HydrophobicContact CD1-CD2 4.21Å; I87-F102 HydrophobicContact CD1-CE1 3.87Å; I87-F102 HydrophobicContact CD1-CG 3.28Å; I87-F102 HydrophobicContact CG1-CD1 4.37Å
88D72.4Confident80.6Confident32 Ų3271.9 Ų71.917%0.17133%0.33CS..  trans-63.6134-179.5-162.2-6.8000110.3H90 Y94D88-H90 WeakPolarHBondContact OD1-CB 3.13Å; D88-H90 IonicContact OD1-CD2 3.12Å; D88-H90 PolarHBondContact OD1-CD2 2.88Å; D88-H90 IonicContact OD1-CG 3.54Å; D88-H90 PolarHBondContact OD1-N 2.88Å; D88-Y94 HydrophobicContact CB-CD1 4.35Å; D88-Y94 WeakPolarHBondContact O-CE1 3.36Å
89Q66.5Low80.5Confident153 Ų15370.8 Ų70.872%0.71532%0.323SS*.  trans-97.7-11176.4-60.5-171.812.800111.2I87 R91I87-Q89 PolarHBondContact O-N 2.8Å; Q89-R91 PolarHBondContact O-N 3.5Å
90H63.6Low80.4Confident140 Ų14069.9 Ų69.965%0.64832%0.317SS*.  trans-72.592.5-179.7-64.9-63.7000110.7D88 K92 H93D88-H90 WeakPolarHBondContact OD1-CB 3.13Å; D88-H90 IonicContact OD1-CD2 3.12Å; D88-H90 PolarHBondContact OD1-CD2 2.88Å; D88-H90 IonicContact OD1-CG 3.54Å; D88-H90 PolarHBondContact OD1-N 2.88Å; H90-K92 PolarHBondContact O-N 3.4Å; H90-H93 PolarHBondContact O-N 3.03Å
91R62.8Low80.2Confident216 Ų21677.3 Ų77.382%0.81535%0.345SS*.THydrogen-bonded Turntrans-55.4-23.5-175-68.2-174.8-177.1173.64115.5Q89 Y94Q89-R91 PolarHBondContact O-N 3.5Å; R91-Y94 VanDerWaalsContact CA-CE2 3.45Å; R91-Y94 HydrophobicContact CB-CE2 4.21Å; R91-Y94 HydrophobicContact CG-CE2 4.29Å
92K61Low80Confident185 Ų18582.5 Ų82.580%0.80437%0.368SS*.THydrogen-bonded Turntrans-82.6-37.4-173.6-69.5-175.3177.9-179.10112.8H90H90-K92 PolarHBondContact O-N 3.4Å
93H63.7Low79.7Confident155 Ų15582.8 Ų82.872%0.71837%0.369SS*.SBendtrans-128.557-174.9-65.9-77.1000110.6H90 D95H90-H93 PolarHBondContact O-N 3.03Å; H93-D95 PolarHBondContact O-N 3.43Å
94Y69.4Low79.5Confident53 Ų5387 Ų8721%0.20839%0.388CS..  trans-57.1107.7171.9-84.7-72000109.8D86 D88 R91 Y96 R126D86-Y94 HydrophobicContact CB-CD1 3.94Å; D86-Y94 HydrophobicContact CB-CE1 3.62Å; D88-Y94 HydrophobicContact CB-CD1 4.35Å; D88-Y94 WeakPolarHBondContact O-CE1 3.36Å; R91-Y94 VanDerWaalsContact CA-CE2 3.45Å; R91-Y94 HydrophobicContact CB-CE2 4.21Å; R91-Y94 HydrophobicContact CG-CE2 4.29Å; Y94-Y96 PolarHBondContact O-N 2.88Å; Y94-R126 PolarHBondContact O-NH1 3.3Å; Y94-R126 PolarHBondContact O-NH2 2.87Å
95D77.5Confident79.5Confident78 Ų7891.9 Ų91.942%0.41741%0.41SS..  trans-84102.9161.6-171-12.3000107.6H93 D97 L98H93-D95 PolarHBondContact O-N 3.43Å; D95-D97 VanDerWaalsContact C-N 3.26Å; D95-D97 WeakPolarHBondContact OD1-CB 3.47Å; D95-D97 PolarHBondContact OD1-N 2.79Å; D95-L98 HydrophobicContact CB-CB 4.13Å; D95-L98 PolarHBondContact OD1-N 3.43Å
96Y80.5Confident79.5Confident50 Ų5088.1 Ų88.120%0.19640%0.396CS..Hα-helixtrans-73.4-23.7179.959.6-103.2000112.1Y94 S99 T100 S120 H123Y94-Y96 PolarHBondContact O-N 2.88Å; Y96-S99 PolarHBondContact O-N 3.16Å; Y96-T100 PolarHBondContact O-N 3.32Å; Y96-T100 VanDerWaalsContact O-N 3.1Å; Y96-T100 PolarHBondContact O-OG1 2.87Å; Y96-S120 VanDerWaalsContact CB-OG 3.3Å; Y96-S120 WeakPolarHBondContact CB-OG 3.4Å; Y96-H123 HydrophobicContact CD2-CB 3.92Å; Y96-H123 AromaticContact CD2-CG 3.73Å; Y96-H123 AromaticContact CD2-ND1 3.71Å; Y96-H123 HydrophobicContact CG-CB 3.92Å
97D84.5Confident79.6Confident62 Ų6287.3 Ų87.333%0.33239%0.392SS..Hα-helixtrans-72-40180-74.3-27.3000110.7D95 S99 T100 R101D95-D97 VanDerWaalsContact C-N 3.26Å; D95-D97 WeakPolarHBondContact OD1-CB 3.47Å; D95-D97 PolarHBondContact OD1-N 2.79Å; D97-S99 VanDerWaalsContact C-N 3.29Å; D97-S99 PolarHBondContact O-N 2.77Å; D97-T100 PolarHBondContact O-N 3.26Å; D97-R101 WeakPolarHBondContact O-CB 3.46Å; D97-R101 VanDerWaalsContact O-CG 3.27Å; D97-R101 WeakPolarHBondContact O-CG 3.31Å; D97-R101 PolarHBondContact O-N 3.11Å
98L85.3Confident80Confident98 Ų9888.6 Ų88.651%0.51340%0.4SS..Hα-helixtrans-55.5-46.6174.1-172.273.1000111.5D95 T100 R101 F102D95-L98 HydrophobicContact CB-CB 4.13Å; D95-L98 PolarHBondContact OD1-N 3.43Å; L98-T100 PolarHBondContact O-N 3.45Å; L98-R101 PolarHBondContact O-N 3Å; L98-F102 WeakPolarHBondContact O-CB 3.15Å; L98-F102 PolarHBondContact O-N 3.05Å
99S85.2Confident80.8Confident3 Ų394.2 Ų94.22%0.02143%0.425CS..Hα-helixtrans-66-39.4179.5-63.10000112.1I87 Y96 D97 V103I87-S99 PolarHBondContact N-OG 2.71Å; I87-S99 VanDerWaalsContact N-OG 3.07Å; Y96-S99 PolarHBondContact O-N 3.16Å; D97-S99 VanDerWaalsContact C-N 3.29Å; D97-S99 PolarHBondContact O-N 2.77Å; S99-V103 VanDerWaalsContact O-CG2 3.26Å; S99-V103 WeakPolarHBondContact O-CG2 3.48Å; S99-V103 PolarHBondContact O-N 3.19Å
100T88.5Confident81.8Confident12 Ų1291.2 Ų91.27%0.07441%0.407CS..Hα-helixtrans-68.1-43.1177.1-75.70000111.5Y96 D97 L98 V103 K104 V118Y96-T100 PolarHBondContact O-N 3.32Å; Y96-T100 VanDerWaalsContact O-N 3.1Å; Y96-T100 PolarHBondContact O-OG1 2.87Å; D97-T100 PolarHBondContact O-N 3.26Å; L98-T100 PolarHBondContact O-N 3.45Å; T100-V103 PolarHBondContact O-N 2.98Å; T100-K104 HydrophobicContact CG2-CD 4.2Å; T100-K104 WeakPolarHBondContact O-CG 3.42Å; T100-K104 PolarHBondContact O-N 3.19Å; T100-V118 HydrophobicContact CG2-CB 4.22Å; T100-V118 HydrophobicContact CG2-CG1 4.43Å; T100-V118 WeakPolarHBondContact CG2-O 3.39Å; T100-V118 PolarHBondContact OG1-O 2.96Å
101R89.6Confident82.8Confident156 Ų15690.4 Ų90.459%0.58941%0.407SS*.Hα-helixtrans-63.8-50.4179.8-72.6175.3-168.5-173.95.1112D97 L98 V103 K104 E105D97-R101 WeakPolarHBondContact O-CB 3.46Å; D97-R101 VanDerWaalsContact O-CG 3.27Å; D97-R101 WeakPolarHBondContact O-CG 3.31Å; D97-R101 PolarHBondContact O-N 3.11Å; L98-R101 PolarHBondContact O-N 3Å; R101-V103 PolarHBondContact O-N 3.32Å; R101-K104 WeakPolarHBondContact O-CA 3.43Å; R101-K104 WeakPolarHBondContact O-CB 3.38Å; R101-K104 PolarHBondContact O-N 2.76Å; R101-E105 WeakPolarHBondContact O-CG 3.39Å; R101-E105 PolarHBondContact O-N 2.66Å
102F88.7Confident83.9Confident110 Ų11080.4 Ų80.448%0.48237%0.37SS..Hα-helixtrans-55.2-40.9178.3178.4-86.4000112.3I87 L98 Y106I87-F102 HydrophobicContact CD1-CB 3.4Å; I87-F102 HydrophobicContact CD1-CD1 3.1Å; I87-F102 HydrophobicContact CD1-CD2 4.21Å; I87-F102 HydrophobicContact CD1-CE1 3.87Å; I87-F102 HydrophobicContact CD1-CG 3.28Å; I87-F102 HydrophobicContact CG1-CD1 4.37Å; L98-F102 WeakPolarHBondContact O-CB 3.15Å; L98-F102 PolarHBondContact O-N 3.05Å; F102-Y106 VanDerWaalsContact O-CB 3.31Å; F102-Y106 WeakPolarHBondContact O-CB 3.4Å; F102-Y106 PolarHBondContact O-N 2.87Å
103V88.8Confident85Confident8 Ų880.2 Ų80.25%0.04837%0.37CS..Hα-helixtrans-74.1-33.2179.9179.70000111.4L82 V84 S99 T100 R101 Y106 L107 V118L82-V103 HydrophobicContact CD2-CG1 4.42Å; V84-V103 HydrophobicContact CB-CG2 4.34Å; V84-V103 HydrophobicContact CG1-CG1 4.41Å; V84-V103 HydrophobicContact CG1-CG2 3.7Å; V84-V103 HydrophobicContact CG2-CG1 3.95Å; V84-V103 HydrophobicContact CG2-CG2 4.43Å; S99-V103 VanDerWaalsContact O-CG2 3.26Å; S99-V103 WeakPolarHBondContact O-CG2 3.48Å; S99-V103 PolarHBondContact O-N 3.19Å; T100-V103 PolarHBondContact O-N 2.98Å; R101-V103 PolarHBondContact O-N 3.32Å; V103-Y106 PolarHBondContact O-N 2.96Å; V103-L107 HydrophobicContact CG1-CD1 4.24Å; V103-L107 HydrophobicContact CG1-CG 4.42Å; V103-L107 WeakPolarHBondContact O-CG 3.37Å; V103-L107 PolarHBondContact O-N 2.79Å; V103-V118 HydrophobicContact CB-CG1 4.07Å; V103-V118 HydrophobicContact CG1-CG1 4.02Å
104K90.8Very high86.1Confident87 Ų8773.2 Ų73.238%0.37834%0.338SS..Hα-helixtrans-62.7-50.1171.8-74.9179.1173.8-169.20110.9T100 R101 Y106 L107 D108 V118T100-K104 HydrophobicContact CG2-CD 4.2Å; T100-K104 WeakPolarHBondContact O-CG 3.42Å; T100-K104 PolarHBondContact O-N 3.19Å; R101-K104 WeakPolarHBondContact O-CA 3.43Å; R101-K104 WeakPolarHBondContact O-CB 3.38Å; R101-K104 PolarHBondContact O-N 2.76Å; K104-Y106 VanDerWaalsContact C-N 3.3Å; K104-Y106 PolarHBondContact O-N 2.92Å; K104-L107 WeakPolarHBondContact O-CA 3.4Å; K104-L107 WeakPolarHBondContact O-CB 3.36Å; K104-L107 PolarHBondContact O-N 3.14Å; K104-D108 VanDerWaalsContact O-CG 3.29Å; K104-D108 PolarHBondContact O-N 3.2Å; K104-V118 HydrophobicContact CG-CB 4.13Å; K104-V118 HydrophobicContact CG-CG2 3.89Å
105E91.3Very high87Confident107 Ų10771.8 Ų71.850%0.534%0.335SS..Hα-helixtrans-55.1-46.2175.4-70.1163.3-167.700111.3R101 L107 D108 E109R101-E105 WeakPolarHBondContact O-CG 3.39Å; R101-E105 PolarHBondContact O-N 2.66Å; E105-L107 VanDerWaalsContact C-N 3.29Å; E105-L107 PolarHBondContact O-N 3.26Å; E105-D108 PolarHBondContact O-N 2.88Å; E105-D108 VanDerWaalsContact O-N 3.16Å; E105-E109 WeakPolarHBondContact O-CG 3.09Å; E105-E109 PolarHBondContact O-N 3.47Å
106Y89.5Confident87.7Confident47 Ų4772.6 Ų72.618%0.18434%0.339CS..Hα-helixtrans-62.3-31.3176.1179.9-98.9000114.3F102 V103 K104 R110 I175 I180F102-Y106 VanDerWaalsContact O-CB 3.31Å; F102-Y106 WeakPolarHBondContact O-CB 3.4Å; F102-Y106 PolarHBondContact O-N 2.87Å; V103-Y106 PolarHBondContact O-N 2.96Å; K104-Y106 VanDerWaalsContact C-N 3.3Å; K104-Y106 PolarHBondContact O-N 2.92Å; Y106-R110 VanDerWaalsContact CZ-NH2 3.32Å; Y106-R110 WeakPolarHBondContact O-CD 3.22Å; Y106-R110 WeakPolarHBondContact O-CG 3.4Å; Y106-R110 PolarHBondContact OH-NH1 2.9Å; Y106-R110 VanDerWaalsContact OH-NH1 3.13Å; Y106-R110 PolarHBondContact OH-NH2 3.37Å; Y106-I175 HydrophobicContact CD1-CG2 4.12Å; Y106-I175 HydrophobicContact CE1-CG2 3.69Å; Y106-I175 PolarHBondContact OH-O 2.91Å; Y106-I180 HydrophobicContact CD1-CD1 4.17Å; Y106-I180 HydrophobicContact CE1-CD1 3.43Å; Y106-I180 VanDerWaalsContact CE1-CD1 3.43Å
107L89.7Confident88.3Confident4 Ų472.1 Ų72.12%0.02134%0.338CS..Hα-helixtrans-76.5-38174.8-71.4171.3000111.1L82 V103 K104 E105 R110 N111 V112 V115 V118 I180L82-L107 HydrophobicContact CD2-CD1 4Å; V103-L107 HydrophobicContact CG1-CD1 4.24Å; V103-L107 HydrophobicContact CG1-CG 4.42Å; V103-L107 WeakPolarHBondContact O-CG 3.37Å; V103-L107 PolarHBondContact O-N 2.79Å; K104-L107 WeakPolarHBondContact O-CA 3.4Å; K104-L107 WeakPolarHBondContact O-CB 3.36Å; K104-L107 PolarHBondContact O-N 3.14Å; E105-L107 VanDerWaalsContact C-N 3.29Å; E105-L107 PolarHBondContact O-N 3.26Å; L107-R110 CarbonylContact O-C 3.55Å; L107-R110 PolarHBondContact O-N 3.2Å; L107-N111 PolarHBondContact O-N 3.06Å; L107-V112 HydrophobicContact CB-CB 4.34Å; L107-V112 HydrophobicContact CD2-CB 4.06Å; L107-V112 HydrophobicContact CD2-CG1 4.17Å; L107-V112 HydrophobicContact CD2-CG2 4.34Å; L107-V112 PolarHBondContact O-N 3.26Å; L107-V115 HydrophobicContact CD1-CB 4.31Å; L107-V115 HydrophobicContact CD1-CG1 4.41Å; L107-V115 HydrophobicContact CD1-CG2 4.43Å; L107-V118 HydrophobicContact CD1-CG2 3.99Å; L107-I180 HydrophobicContact CD2-CD1 4.43Å; L107-I180 HydrophobicContact CD2-CG2 4.19Å
108D90Very high88.7Confident104 Ų10469.3 Ų69.356%0.55632%0.323SS*.Hα-helixtrans-66.8-44178.1-67-28.5000111.3K104 E105 R110 N111K104-D108 VanDerWaalsContact O-CG 3.29Å; K104-D108 PolarHBondContact O-N 3.2Å; E105-D108 PolarHBondContact O-N 2.88Å; E105-D108 VanDerWaalsContact O-N 3.16Å; D108-R110 PolarHBondContact O-N 3.22Å; D108-N111 PolarHBondContact O-N 3.11Å
109E90.2Very high89.1Confident151 Ų15164.6 Ų64.671%0.70630%0.298SS*.THydrogen-bonded Turntrans-54.5-27.4172.2-76175.5-178.400113E105E105-E109 WeakPolarHBondContact O-CG 3.09Å; E105-E109 PolarHBondContact O-N 3.47Å
110R87.8Confident89.4Confident89 Ų8964.5 Ų64.534%0.33630%0.298SS..THydrogen-bonded Turntrans-102.99.5-177.9-66.1176.1178.9-132.3-6.9113.1Y106 L107 D108 V112 R177Y106-R110 VanDerWaalsContact CZ-NH2 3.32Å; Y106-R110 WeakPolarHBondContact O-CD 3.22Å; Y106-R110 WeakPolarHBondContact O-CG 3.4Å; Y106-R110 PolarHBondContact OH-NH1 2.9Å; Y106-R110 VanDerWaalsContact OH-NH1 3.13Å; Y106-R110 PolarHBondContact OH-NH2 3.37Å; L107-R110 CarbonylContact O-C 3.55Å; L107-R110 PolarHBondContact O-N 3.2Å; D108-R110 PolarHBondContact O-N 3.22Å; R110-V112 HydrophobicContact CB-CG2 4.03Å; R110-V112 PolarHBondContact O-N 3.25Å; R110-R177 PolarHBondContact NH1-O 3.28Å
111N84.3Confident89.5Confident123 Ų12364.5 Ų64.566%0.65830%0.297SS*.THydrogen-bonded Turntrans57.629.2-178.7-66-53.2000114.5L107 D108 K113L107-N111 PolarHBondContact O-N 3.06Å; D108-N111 PolarHBondContact O-N 3.11Å; N111-K113 PolarHBondContact O-N 3.21Å
112V84.8Confident89.5Confident6 Ų657.6 Ų57.64%0.03627%0.272CS..  trans-88.185.9-179.5-173.20000110.5L107 R110 C114 V115 I180 E181 I184L107-V112 HydrophobicContact CB-CB 4.34Å; L107-V112 HydrophobicContact CD2-CB 4.06Å; L107-V112 HydrophobicContact CD2-CG1 4.17Å; L107-V112 HydrophobicContact CD2-CG2 4.34Å; L107-V112 PolarHBondContact O-N 3.26Å; R110-V112 HydrophobicContact CB-CG2 4.03Å; R110-V112 PolarHBondContact O-N 3.25Å; V112-C114 VanDerWaalsContact C-N 3.33Å; V112-C114 PolarHBondContact O-N 2.99Å; V112-V115 HydrophobicContact CG1-CG2 4.43Å; V112-I180 HydrophobicContact CG2-CB 4.12Å; V112-I180 HydrophobicContact CG2-CG2 4.36Å; V112-E181 HydrophobicContact CG2-CB 4.33Å; V112-I184 HydrophobicContact CG1-CD1 3.79Å
113K84.7Confident89.6Confident182 Ų18253.6 Ų53.679%0.79126%0.255SS*.THydrogen-bonded Turntrans-82.9-2.5-179.6-63.5-176.8179.5-179.80115.3N111 V115N111-K113 PolarHBondContact O-N 3.21Å; K113-V115 VanDerWaalsContact C-N 3.3Å; K113-V115 PolarHBondContact O-N 3.12Å
114C86.3Confident89.8Confident7 Ų753.3 Ų53.35%0.04725%0.253CS..THydrogen-bonded Turntrans-80.1-1.9-173.2-60.10000114.5P75 L80 V112P75-C114 HydrophobicContact CB-CB 4.08Å; L80-C114 WeakPolarHBondContact CB-O 3.3Å; L80-C114 HydrophobicContact CD1-CB 4.3Å; L80-C114 WeakPolarHBondContact CD1-O 3.17Å; V112-C114 VanDerWaalsContact C-N 3.33Å; V112-C114 PolarHBondContact O-N 2.99Å
115V89.8Confident89.7Confident23 Ų2352.7 Ų52.714%0.13925%0.254CS..  trans-110.2110-174.3-179.90000109.7L82 L107 V112 K113 V118 I184L82-V115 HydrophobicContact CB-CG1 3.65Å; L82-V115 HydrophobicContact CD2-CG1 4.48Å; L107-V115 HydrophobicContact CD1-CB 4.31Å; L107-V115 HydrophobicContact CD1-CG1 4.41Å; L107-V115 HydrophobicContact CD1-CG2 4.43Å; V112-V115 HydrophobicContact CG1-CG2 4.43Å; K113-V115 VanDerWaalsContact C-N 3.3Å; K113-V115 PolarHBondContact O-N 3.12Å; V115-V118 HydrophobicContact CG1-CG2 3.92Å; V115-I184 HydrophobicContact CG2-CD1 3.85Å
116D91.1Very high89.6Confident95 Ų9553 Ų5351%0.50825%0.25SS..  trans-75.8-38.3-176.7-50.6-57.9000112.6S79 L80 Y141S79-D116 WeakPolarHBondContact CA-OD2 3.37Å; L80-D116 PolarHBondContact N-OD2 2.95Å; L80-D116 PolarHBondContact O-N 3.38Å; L80-D116 VanDerWaalsContact O-N 3.11Å; D116-Y141 HydrophobicContact CB-CE1 4.37Å
117F92.7Very high89.7Confident41 Ų4155.4 Ų55.418%0.1826%0.263CS..EExtended strand (participates in β ladder)trans-139.2124.5-172.5-169.3-116000113L80 C81 L82 I119 Y141L80-F117 PolarHBondContact O-N 2.79Å; C81-F117 CarbonylContact C-O 3.44Å; C81-F117 VanDerWaalsContact CA-O 3.3Å; C81-F117 WeakPolarHBondContact CA-O 3.44Å; L82-F117 PolarHBondContact N-O 3.07Å; F117-I119 HydrophobicContact CD1-CB 4.26Å; F117-I119 HydrophobicContact CE1-CB 3.79Å; F117-I119 HydrophobicContact CE1-CD1 4.17Å; F117-I119 HydrophobicContact CE1-CG1 4.28Å; F117-Y141 HydrophobicContact CB-CD1 4.44Å; F117-Y141 HydrophobicContact CB-CE1 3.5Å; F117-Y141 VanDerWaalsContact CB-CE1 3.5Å; F117-Y141 HydrophobicContact CB-CE2 4.16Å; F117-Y141 WeakPolarHBondContact CB-OH 3.26Å; F117-Y141 AromaticContact CD1-CE2 3.78Å; F117-Y141 HydrophobicContact CD1-CE2 3.78Å; F117-Y141 AromaticContact CD1-CZ 3.75Å; F117-Y141 HydrophobicContact CG-CE1 4.3Å; F117-Y141 HydrophobicContact CG-CE2 4.17Å; F117-Y141 AromaticContact CG-CZ 3.62Å; F117-Y141 WeakPolarHBondContact CG-OH 3.38Å
118V93.8Very high89.8Confident2 Ų257.4 Ų57.41%0.01227%0.271CS..EExtended strand (participates in β ladder)trans-107.5120.3176.6-178.60000109L82 V84 T100 V103 K104 L107 V115L82-V118 HydrophobicContact CB-CG2 4.5Å; L82-V118 WeakPolarHBondContact O-CA 3.26Å; V84-V118 HydrophobicContact CG2-CG1 3.8Å; T100-V118 HydrophobicContact CG2-CB 4.22Å; T100-V118 HydrophobicContact CG2-CG1 4.43Å; T100-V118 WeakPolarHBondContact CG2-O 3.39Å; T100-V118 PolarHBondContact OG1-O 2.96Å; V103-V118 HydrophobicContact CB-CG1 4.07Å; V103-V118 HydrophobicContact CG1-CG1 4.02Å; K104-V118 HydrophobicContact CG-CB 4.13Å; K104-V118 HydrophobicContact CG-CG2 3.89Å; L107-V118 HydrophobicContact CD1-CG2 3.99Å; V115-V118 HydrophobicContact CG1-CG2 3.92Å
119I93.1Very high89.8Confident0 Ų056.4 Ų56.40%027%0.268CS..EExtended strand (participates in β ladder)trans-121.1131.8179.5-168.8172.4000110.5L82 I83 V84 F117 H123 L124 Y128 L137L82-I119 PolarHBondContact O-N 2.77Å; I83-I119 CarbonylContact C-O 3.55Å; I83-I119 VanDerWaalsContact CA-O 3.27Å; I83-I119 WeakPolarHBondContact CA-O 3.45Å; I83-I119 HydrophobicContact CB-CG2 4.19Å; I83-I119 HydrophobicContact CG1-CG2 3.66Å; I83-I119 HydrophobicContact CG2-CG2 4.42Å; V84-I119 PolarHBondContact N-O 2.81Å; F117-I119 HydrophobicContact CD1-CB 4.26Å; F117-I119 HydrophobicContact CE1-CB 3.79Å; F117-I119 HydrophobicContact CE1-CD1 4.17Å; F117-I119 HydrophobicContact CE1-CG1 4.28Å; I119-H123 HydrophobicContact CD1-CB 4.49Å; I119-H123 HydrophobicContact CG1-CB 3.82Å; I119-L124 HydrophobicContact CD1-CB 4.06Å; I119-L124 HydrophobicContact CD1-CD1 3.88Å; I119-L124 HydrophobicContact CG1-CB 4.47Å; I119-Y128 HydrophobicContact CD1-CD2 3.8Å; I119-Y128 HydrophobicContact CD1-CE2 3.49Å; I119-Y128 VanDerWaalsContact CD1-CE2 3.49Å; I119-L137 HydrophobicContact CD1-CD2 4.42Å
120S92.4Very high90Very high1 Ų152.2 Ų52.21%0.00725%0.253CS..EExtended strand (participates in β ladder)trans-84.9160.2174.8740000111.1D86 Y96 S122 H123 L124D86-S120 WeakPolarHBondContact OD1-CB 3.41Å; D86-S120 PolarHBondContact OD1-OG 3.02Å; Y96-S120 VanDerWaalsContact CB-OG 3.3Å; Y96-S120 WeakPolarHBondContact CB-OG 3.4Å; S120-S122 VanDerWaalsContact C-N 3.27Å; S120-S122 PolarHBondContact O-N 2.94Å; S120-H123 WeakPolarHBondContact O-CB 3.01Å; S120-H123 PolarHBondContact O-N 3.32Å; S120-H123 WeakPolarHBondContact OG-CB 3.34Å; S120-H123 PolarHBondContact OG-N 3.19Å; S120-L124 PolarHBondContact O-N 3.36Å
121M90.3Very high90.2Very high11 Ų1153.8 Ų53.85%0.05426%0.263CS..Hα-helixtrans-62.6-36.9178.7-81.7-62.2-5500112.1I83 V84 D86 L124 I125 L150 L155 V158I83-M121 HydrophobicContact CG2-SD 3.94Å; V84-M121 PolarHBondContact O-N 3.5Å; D86-M121 PolarHBondContact OD1-N 3.19Å; D86-M121 VanDerWaalsContact OD1-N 3.09Å; M121-L124 PolarHBondContact O-N 3Å; M121-I125 HydrophobicContact CE-CD1 4.44Å; M121-I125 WeakPolarHBondContact O-CD1 3.33Å; M121-I125 VanDerWaalsContact O-CG1 3.28Å; M121-I125 WeakPolarHBondContact O-CG1 3.23Å; M121-I125 PolarHBondContact O-N 3.46Å; M121-I125 VanDerWaalsContact O-N 3.14Å; M121-L150 HydrophobicContact CG-CD1 3.57Å; M121-L150 HydrophobicContact CG-CD2 3.4Å; M121-L150 VanDerWaalsContact CG-CD2 3.4Å; M121-L150 HydrophobicContact CG-CG 4.11Å; M121-L150 HydrophobicContact SD-CD1 3.87Å; M121-L150 HydrophobicContact SD-CD2 4.31Å; M121-L155 HydrophobicContact CE-CB 4.49Å; M121-L155 HydrophobicContact CE-CD1 4.11Å; M121-L155 HydrophobicContact SD-CB 4.42Å; M121-L155 HydrophobicContact SD-CD1 3.62Å; M121-V158 HydrophobicContact CE-CG2 4.33Å
122S89.1Confident90.6Very high11 Ų1150.9 Ų50.98%0.07726%0.256CS..Hα-helixtrans-69.1-39.3177.9-73.90000111.9D86 S120 L124 I125 R126D86-S122 PolarHBondContact OD1-N 3.04Å; D86-S122 WeakPolarHBondContact OD2-CB 3.34Å; D86-S122 PolarHBondContact OD2-N 3.12Å; D86-S122 PolarHBondContact OD2-OG 3.05Å; S120-S122 VanDerWaalsContact C-N 3.27Å; S120-S122 PolarHBondContact O-N 2.94Å; S122-L124 PolarHBondContact O-N 3.02Å; S122-I125 PolarHBondContact O-N 3.16Å; S122-R126 WeakPolarHBondContact O-CG 3.37Å; S122-R126 PolarHBondContact O-N 3.2Å
123H91.1Very high91.1Very high26 Ų2653.1 Ų53.112%0.1227%0.268CS..Hα-helixtrans-57.1-50.1171.9-168.1163.1000110.5Y96 I119 S120 I125 R126 E127Y96-H123 HydrophobicContact CD2-CB 3.92Å; Y96-H123 AromaticContact CD2-CG 3.73Å; Y96-H123 AromaticContact CD2-ND1 3.71Å; Y96-H123 HydrophobicContact CG-CB 3.92Å; I119-H123 HydrophobicContact CD1-CB 4.49Å; I119-H123 HydrophobicContact CG1-CB 3.82Å; S120-H123 WeakPolarHBondContact O-CB 3.01Å; S120-H123 PolarHBondContact O-N 3.32Å; S120-H123 WeakPolarHBondContact OG-CB 3.34Å; S120-H123 PolarHBondContact OG-N 3.19Å; H123-I125 VanDerWaalsContact C-N 3.27Å; H123-I125 PolarHBondContact O-N 3.24Å; H123-R126 PolarHBondContact O-N 2.94Å; H123-E127 WeakPolarHBondContact CD2-CG 3.43Å; H123-E127 PolarHBondContact O-N 3.43Å
124L92.1Very high91.5Very high2 Ų246.2 Ų46.21%0.0124%0.238CC..Hα-helixtrans-59.5-36.6179.8-172.174.4000112.9I119 S120 M121 S122 Y128 L137 L155 V158 L159I119-L124 HydrophobicContact CD1-CB 4.06Å; I119-L124 HydrophobicContact CD1-CD1 3.88Å; I119-L124 HydrophobicContact CG1-CB 4.47Å; S120-L124 PolarHBondContact O-N 3.36Å; M121-L124 PolarHBondContact O-N 3Å; S122-L124 PolarHBondContact O-N 3.02Å; L124-Y128 HydrophobicContact CD1-CD2 4.1Å; L124-Y128 HydrophobicContact CD1-CG 4.2Å; L124-Y128 WeakPolarHBondContact O-CB 3.45Å; L124-Y128 PolarHBondContact O-N 3.21Å; L124-L137 HydrophobicContact CD1-CD2 3.65Å; L124-L155 HydrophobicContact CD2-CD1 3.6Å; L124-V158 HydrophobicContact CD2-CB 4.34Å; L124-V158 HydrophobicContact CD2-CG1 3.67Å; L124-V158 HydrophobicContact CG-CG1 3.9Å; L124-L159 HydrophobicContact CD1-CD2 4.02Å; L124-L159 HydrophobicContact CD2-CD2 3.63Å; L124-L159 HydrophobicContact CD2-CG 4.23Å; L124-L159 HydrophobicContact CG-CD2 4.4Å
125I90.1Very high91.8Very high75 Ų7548.7 Ų48.739%0.38525%0.248SC..Hα-helixtrans-75.4-33.9-179.2-69.6166.7000111.9M121 S122 H123 T129 V158M121-I125 HydrophobicContact CE-CD1 4.44Å; M121-I125 WeakPolarHBondContact O-CD1 3.33Å; M121-I125 VanDerWaalsContact O-CG1 3.28Å; M121-I125 WeakPolarHBondContact O-CG1 3.23Å; M121-I125 PolarHBondContact O-N 3.46Å; M121-I125 VanDerWaalsContact O-N 3.14Å; S122-I125 PolarHBondContact O-N 3.16Å; H123-I125 VanDerWaalsContact C-N 3.27Å; H123-I125 PolarHBondContact O-N 3.24Å; I125-T129 VanDerWaalsContact O-CG2 3.22Å; I125-T129 WeakPolarHBondContact O-CG2 3.38Å; I125-V158 HydrophobicContact CD1-CG2 4.36Å; I125-V158 HydrophobicContact CG1-CG1 3.89Å; I125-V158 HydrophobicContact CG1-CG2 4.03Å
126R89.2Confident92.1Very high114 Ų11456.9 Ų56.943%0.4328%0.277SS..Hα-helixtrans-84.6-49.8-176.2-72.8-176.9175.6170.72.8113.2Y94 S122 H123 T129Y94-R126 PolarHBondContact O-NH1 3.3Å; Y94-R126 PolarHBondContact O-NH2 2.87Å; S122-R126 WeakPolarHBondContact O-CG 3.37Å; S122-R126 PolarHBondContact O-N 3.2Å; H123-R126 PolarHBondContact O-N 2.94Å; R126-T129 VanDerWaalsContact O-CG2 3.31Å; R126-T129 WeakPolarHBondContact O-CG2 3.36Å
127E90.7Very high92.2Very high96 Ų9652.4 Ų52.445%0.44925%0.253SS..THydrogen-bonded Turntrans-84.2-47.1-174.7-65.6-58134.900111.6H123 T129H123-E127 WeakPolarHBondContact CD2-CG 3.43Å; H123-E127 PolarHBondContact O-N 3.43Å; E127-T129 VanDerWaalsContact C-N 3.29Å; E127-T129 PolarHBondContact O-N 3.42Å
128Y92.1Very high92.2Very high46 Ų4650.5 Ų50.518%0.1825%0.245CC..  trans-91.858.2-173.4-60.5-89000111.6I119 L124 D133 K134 L137I119-Y128 HydrophobicContact CD1-CD2 3.8Å; I119-Y128 HydrophobicContact CD1-CE2 3.49Å; I119-Y128 VanDerWaalsContact CD1-CE2 3.49Å; L124-Y128 HydrophobicContact CD1-CD2 4.1Å; L124-Y128 HydrophobicContact CD1-CG 4.2Å; L124-Y128 WeakPolarHBondContact O-CB 3.45Å; L124-Y128 PolarHBondContact O-N 3.21Å; Y128-D133 HydrophobicContact CD1-CB 3.89Å; Y128-D133 WeakPolarHBondContact CD1-O 3.39Å; Y128-K134 WeakPolarHBondContact O-CE 3.34Å; Y128-L137 HydrophobicContact CD1-CB 3.85Å; Y128-L137 HydrophobicContact CD1-CD2 3.95Å; Y128-L137 HydrophobicContact CD1-CG 4.4Å; Y128-L137 HydrophobicContact CD2-CD2 4.34Å; Y128-L137 HydrophobicContact CE1-CB 3.68Å; Y128-L137 HydrophobicContact CE1-CD1 4.06Å; Y128-L137 HydrophobicContact CE1-CD2 4.01Å; Y128-L137 HydrophobicContact CE1-CG 4.12Å; Y128-L137 HydrophobicContact CE2-CD2 4.4Å; Y128-L137 HydrophobicContact CG-CD2 4.11Å
129T90.3Very high92.1Very high83 Ų8356.8 Ų56.851%0.50927%0.272SS..  trans-82.1-44.4-17857.20000112.1I125 R126 E127 K134I125-T129 VanDerWaalsContact O-CG2 3.22Å; I125-T129 WeakPolarHBondContact O-CG2 3.38Å; R126-T129 VanDerWaalsContact O-CG2 3.31Å; R126-T129 WeakPolarHBondContact O-CG2 3.36Å; E127-T129 VanDerWaalsContact C-N 3.29Å; E127-T129 PolarHBondContact O-N 3.42Å; T129-K134 WeakPolarHBondContact O-CE 3.33Å; T129-K134 PolarHBondContact O-NZ 3.36Å
130T93.5Very high92.1Very high64 Ų6459.8 Ų59.839%0.39329%0.293SS..SBendtrans-77.2162.4-17380.60000112A132 D133 K134T130-A132 VanDerWaalsContact C-N 3.29Å; T130-A132 PolarHBondContact OG1-N 3.47Å; T130-D133 WeakPolarHBondContact CB-OD2 3.09Å; T130-D133 WeakPolarHBondContact CG2-OD2 3.41Å; T130-D133 PolarHBondContact N-OD2 2.97Å; T130-D133 PolarHBondContact OG1-N 3.28Å; T130-D133 VanDerWaalsContact OG1-N 3.16Å; T130-D133 PolarHBondContact OG1-OD2 3.06Å; T130-K134 WeakPolarHBondContact O-CG 3.09Å; T130-K134 PolarHBondContact O-N 3.11Å
131F92.4Very high92.2Very high121 Ų12161.8 Ų61.853%0.53130%0.301SS..Hα-helixtrans-63.6-38.3174.7-178.7-86.7000111.6K134 Q135 P162F131-K134 PolarHBondContact O-N 3.41Å; F131-Q135 WeakPolarHBondContact O-CB 3.42Å; F131-Q135 PolarHBondContact O-N 3.01Å; F131-P162 HydrophobicContact CD2-CG 3.61Å; F131-P162 HydrophobicContact CE2-CG 3.49Å; F131-P162 VanDerWaalsContact CE2-CG 3.49Å; F131-P162 HydrophobicContact CG-CG 4.25Å; F131-P162 HydrophobicContact CZ-CG 4.03Å
132A93.6Very high92.1Very high62 Ų6265.1 Ų65.151%0.51232%0.319SS..Hα-helixtrans-65.3-44.1-179.600000111.5T130 K134 Q135 R136T130-A132 VanDerWaalsContact C-N 3.29Å; T130-A132 PolarHBondContact OG1-N 3.47Å; A132-K134 PolarHBondContact O-N 2.83Å; A132-Q135 PolarHBondContact O-N 3.35Å; A132-R136 WeakPolarHBondContact O-CB 3.35Å; A132-R136 PolarHBondContact O-N 3.18Å
133D94.2Very high92.3Very high53 Ų5365.8 Ų65.828%0.28332%0.322SS..Hα-helixtrans-63-44.3179-55.1-36.3000111.1Y128 T130 Q135 R136 L137Y128-D133 HydrophobicContact CD1-CB 3.89Å; Y128-D133 WeakPolarHBondContact CD1-O 3.39Å; T130-D133 WeakPolarHBondContact CB-OD2 3.09Å; T130-D133 WeakPolarHBondContact CG2-OD2 3.41Å; T130-D133 PolarHBondContact N-OD2 2.97Å; T130-D133 PolarHBondContact OG1-N 3.28Å; T130-D133 VanDerWaalsContact OG1-N 3.16Å; T130-D133 PolarHBondContact OG1-OD2 3.06Å; D133-Q135 VanDerWaalsContact C-N 3.3Å; D133-Q135 PolarHBondContact O-N 3.17Å; D133-R136 WeakPolarHBondContact O-CB 3.27Å; D133-R136 PolarHBondContact O-N 2.88Å; D133-L137 PolarHBondContact O-N 3.29Å
134K94.1Very high92.4Very high37 Ų3764.7 Ų64.716%0.16132%0.317CS..Hα-helixtrans-63.4-37.6176.4-68.1172.9-167.6-178.20112Y128 T129 T130 F131 A132 A138 V158 P162 F163Y128-K134 WeakPolarHBondContact O-CE 3.34Å; T129-K134 WeakPolarHBondContact O-CE 3.33Å; T129-K134 PolarHBondContact O-NZ 3.36Å; T130-K134 WeakPolarHBondContact O-CG 3.09Å; T130-K134 PolarHBondContact O-N 3.11Å; F131-K134 PolarHBondContact O-N 3.41Å; A132-K134 PolarHBondContact O-N 2.83Å; K134-A138 WeakPolarHBondContact O-CB 3.36Å; K134-A138 PolarHBondContact O-N 2.88Å; K134-V158 VanDerWaalsContact CE-O 3.25Å; K134-V158 WeakPolarHBondContact CE-O 3.37Å; K134-V158 PolarHBondContact NZ-O 3.07Å; K134-P162 HydrophobicContact CB-CB 4.22Å; K134-P162 HydrophobicContact CB-CG 3.95Å; K134-F163 HydrophobicContact CB-CE2 4.22Å; K134-F163 WeakPolarHBondContact O-CE2 3.31Å
135Q93Very high92.5Very high59 Ų5964.6 Ų64.628%0.27632%0.317SS..Hα-helixtrans-69.4-39.4176.1-170.5177.814.600111.5F131 A132 D133 A138 K139 P162F131-Q135 WeakPolarHBondContact O-CB 3.42Å; F131-Q135 PolarHBondContact O-N 3.01Å; A132-Q135 PolarHBondContact O-N 3.35Å; D133-Q135 VanDerWaalsContact C-N 3.3Å; D133-Q135 PolarHBondContact O-N 3.17Å; Q135-A138 PolarHBondContact O-N 2.78Å; Q135-K139 WeakPolarHBondContact O-CG 3.44Å; Q135-K139 PolarHBondContact O-N 2.79Å; Q135-P162 HydrophobicContact CB-CB 4.45Å
136R94.4Very high92.7Very high195 Ų19561 Ų6174%0.73630%0.298SS*.Hα-helixtrans-60.4-48.4174.4-174.4177.9-176.4162.61.7110.8A132 D133 A138 K139 S140A132-R136 WeakPolarHBondContact O-CB 3.35Å; A132-R136 PolarHBondContact O-N 3.18Å; D133-R136 WeakPolarHBondContact O-CB 3.27Å; D133-R136 PolarHBondContact O-N 2.88Å; R136-A138 PolarHBondContact O-N 3Å; R136-K139 PolarHBondContact O-N 3.36Å; R136-K139 VanDerWaalsContact O-N 3.09Å; R136-S140 PolarHBondContact O-N 3.06Å
137L94.1Very high92.9Very high2 Ų255.6 Ų55.61%0.0128%0.278CS..Hα-helixtrans-58.8-46.5175.5-175.661.5000111.5I119 L124 Y128 D133 K139 S140 Y141 F144 F163I119-L137 HydrophobicContact CD1-CD2 4.42Å; L124-L137 HydrophobicContact CD1-CD2 3.65Å; Y128-L137 HydrophobicContact CD1-CB 3.85Å; Y128-L137 HydrophobicContact CD1-CD2 3.95Å; Y128-L137 HydrophobicContact CD1-CG 4.4Å; Y128-L137 HydrophobicContact CD2-CD2 4.34Å; Y128-L137 HydrophobicContact CE1-CB 3.68Å; Y128-L137 HydrophobicContact CE1-CD1 4.06Å; Y128-L137 HydrophobicContact CE1-CD2 4.01Å; Y128-L137 HydrophobicContact CE1-CG 4.12Å; Y128-L137 HydrophobicContact CE2-CD2 4.4Å; Y128-L137 HydrophobicContact CG-CD2 4.11Å; D133-L137 PolarHBondContact O-N 3.29Å; L137-K139 PolarHBondContact O-N 3.05Å; L137-S140 PolarHBondContact O-N 3.16Å; L137-S140 PolarHBondContact O-OG 3.38Å; L137-Y141 HydrophobicContact CD1-CD2 3.8Å; L137-Y141 HydrophobicContact CD1-CE2 3.7Å; L137-F144 HydrophobicContact CD1-CE1 4.34Å; L137-F144 HydrophobicContact CD2-CE1 4.48Å; L137-F144 HydrophobicContact CG-CE1 4.04Å; L137-F144 HydrophobicContact CG-CZ 4.19Å; L137-F144 WeakPolarHBondContact O-CZ 3.34Å; L137-F163 HydrophobicContact CB-CZ 4.24Å; L137-F163 HydrophobicContact CD2-CE2 4.47Å; L137-F163 HydrophobicContact CD2-CZ 3.83Å; L137-F163 HydrophobicContact CG-CZ 3.93Å
138A93.2Very high92.9Very high0 Ų056.1 Ų56.10%028%0.279CS..Hα-helixtrans-63.5-25.117800000113.3K134 Q135 R136 F163 K168K134-A138 WeakPolarHBondContact O-CB 3.36Å; K134-A138 PolarHBondContact O-N 2.88Å; Q135-A138 PolarHBondContact O-N 2.78Å; R136-A138 PolarHBondContact O-N 3Å; A138-F163 HydrophobicContact CB-CD1 4.4Å; A138-F163 HydrophobicContact CB-CD2 4.35Å; A138-F163 HydrophobicContact CB-CE1 4.23Å; A138-F163 HydrophobicContact CB-CE2 4.16Å; A138-F163 HydrophobicContact CB-CG 4.46Å; A138-F163 HydrophobicContact CB-CZ 4.09Å; A138-K168 WeakPolarHBondContact O-CD 3.26Å; A138-K168 WeakPolarHBondContact O-CE 3.31Å; A138-K168 PolarHBondContact O-NZ 2.97Å
139K92.2Very high92.6Very high134 Ų13461 Ų6158%0.58330%0.297SS*.Hα-helixtrans-83.6-35.3176-75.1179.2179.1-177.80112.7Q135 R136 L137Q135-K139 WeakPolarHBondContact O-CG 3.44Å; Q135-K139 PolarHBondContact O-N 2.79Å; R136-K139 PolarHBondContact O-N 3.36Å; R136-K139 VanDerWaalsContact O-N 3.09Å; L137-K139 PolarHBondContact O-N 3.05Å
140S92.5Very high92.5Very high64 Ų6457.7 Ų57.745%0.44828%0.276SS..Hα-helixtrans-70.1-31.8-173.861.30000114.2R136 L137R136-S140 PolarHBondContact O-N 3.06Å; L137-S140 PolarHBondContact O-N 3.16Å; L137-S140 PolarHBondContact O-OG 3.38Å
141Y93.1Very high92.3Very high42 Ų4258.4 Ų58.417%0.16528%0.282CS..  trans-118.2144.7179.7-55.9-78.8000111.6S79 C81 D116 F117 L137 F144 K168S79-Y141 WeakPolarHBondContact OG-CA 3.48Å; C81-Y141 HydrophobicContact CB-CD1 4.07Å; C81-Y141 HydrophobicContact CB-CD2 3.84Å; C81-Y141 HydrophobicContact CB-CE2 4.42Å; C81-Y141 HydrophobicContact CB-CG 3.66Å; D116-Y141 HydrophobicContact CB-CE1 4.37Å; F117-Y141 HydrophobicContact CB-CD1 4.44Å; F117-Y141 HydrophobicContact CB-CE1 3.5Å; F117-Y141 VanDerWaalsContact CB-CE1 3.5Å; F117-Y141 HydrophobicContact CB-CE2 4.16Å; F117-Y141 WeakPolarHBondContact CB-OH 3.26Å; F117-Y141 AromaticContact CD1-CE2 3.78Å; F117-Y141 HydrophobicContact CD1-CE2 3.78Å; F117-Y141 AromaticContact CD1-CZ 3.75Å; F117-Y141 HydrophobicContact CG-CE1 4.3Å; F117-Y141 HydrophobicContact CG-CE2 4.17Å; F117-Y141 AromaticContact CG-CZ 3.62Å; F117-Y141 WeakPolarHBondContact CG-OH 3.38Å; L137-Y141 HydrophobicContact CD1-CD2 3.8Å; L137-Y141 HydrophobicContact CD1-CE2 3.7Å; Y141-F144 HydrophobicContact CD2-CE1 4.31Å; Y141-F144 HydrophobicContact CD2-CZ 4.19Å; Y141-F144 HydrophobicContact CG-CZ 4.49Å; Y141-K168 PolarHBondContact O-NZ 3.01Å
142D90Very high92Very high81 Ų8155.2 Ų55.243%0.43327%0.27SS..SBendtrans-81.6-46-178.9-68.8-50.1000112.3V78 S79V78-D142 HydrophobicContact CG1-CB 3.47Å; V78-D142 VanDerWaalsContact CG1-CB 3.47Å; S79-D142 PolarHBondContact N-OD2 2.72Å; S79-D142 PolarHBondContact O-N 2.76Å; S79-D142 VanDerWaalsContact O-N 3.16Å; S79-D142 VanDerWaalsContact OG-CG 3.28Å; S79-D142 PolarHBondContact OG-N 2.82Å; S79-D142 PolarHBondContact OG-OD2 2.77Å
143V92.1Very high91.7Very high25 Ų2556.6 Ų56.615%0.15228%0.275CS..EExtended strand (participates in β ladder)trans-126.1128.8-174.2174.80000110.6V78 S79 L80 C81 L145 I171 V188V78-V143 HydrophobicContact CG1-CB 4.27Å; V78-V143 HydrophobicContact CG1-CG2 3.78Å; S79-V143 PolarHBondContact O-N 3.5Å; S79-V143 VanDerWaalsContact O-N 3.12Å; L80-V143 HydrophobicContact CD2-CB 3.52Å; L80-V143 HydrophobicContact CD2-CG1 3.56Å; C81-V143 PolarHBondContact N-O 3.06Å; V143-L145 HydrophobicContact CG1-CD2 4.01Å; V143-I171 HydrophobicContact CG1-CD1 3.71Å; V143-V188 HydrophobicContact CG1-CG2 4.39Å
144F94.4Very high91.4Very high3 Ų359.8 Ų59.81%0.01329%0.287CS..EExtended strand (participates in β ladder)trans-103.1130.8175-69.4-91.7000110.2C81 I83 L137 Y141 F163 K168 P170 I171C81-F144 HydrophobicContact CB-CD1 3.68Å; C81-F144 HydrophobicContact CB-CE1 3.68Å; C81-F144 HydrophobicContact CB-CG 4.5Å; C81-F144 HydrophobicContact CB-CZ 4.5Å; C81-F144 CarbonylContact O-C 3.53Å; C81-F144 WeakPolarHBondContact O-CA 3.43Å; I83-F144 HydrophobicContact CD1-CD1 4.32Å; L137-F144 HydrophobicContact CD1-CE1 4.34Å; L137-F144 HydrophobicContact CD2-CE1 4.48Å; L137-F144 HydrophobicContact CG-CE1 4.04Å; L137-F144 HydrophobicContact CG-CZ 4.19Å; L137-F144 WeakPolarHBondContact O-CZ 3.34Å; Y141-F144 HydrophobicContact CD2-CE1 4.31Å; Y141-F144 HydrophobicContact CD2-CZ 4.19Å; Y141-F144 HydrophobicContact CG-CZ 4.49Å; F144-F163 AromaticContact CD1-CE1 3.92Å; F144-F163 HydrophobicContact CD1-CE1 3.92Å; F144-F163 HydrophobicContact CD2-CD1 4.36Å; F144-F163 AromaticContact CD2-CE1 3.89Å; F144-F163 HydrophobicContact CD2-CE1 3.89Å; F144-F163 AromaticContact CE1-CE1 3.67Å; F144-F163 HydrophobicContact CE1-CE1 3.67Å; F144-F163 HydrophobicContact CE1-CZ 4.08Å; F144-F163 HydrophobicContact CE2-CD1 4.35Å; F144-F163 AromaticContact CE2-CE1 3.64Å; F144-F163 HydrophobicContact CE2-CE1 3.64Å; F144-F163 HydrophobicContact CE2-CZ 4.48Å; F144-F163 HydrophobicContact CG-CE1 4.03Å; F144-F163 AromaticContact CZ-CE1 3.52Å; F144-F163 HydrophobicContact CZ-CE1 3.52Å; F144-F163 AromaticContact CZ-CZ 3.99Å; F144-F163 HydrophobicContact CZ-CZ 3.99Å; F144-K168 HydrophobicContact CD2-CB 3.99Å; F144-K168 HydrophobicContact CE2-CB 4.19Å; F144-K168 HydrophobicContact CE2-CD 4.16Å; F144-P170 HydrophobicContact CB-CB 3.92Å; F144-P170 HydrophobicContact CB-CG 3.85Å; F144-P170 CarbonylContact O-C 3.45Å; F144-P170 VanDerWaalsContact O-CA 3.23Å; F144-P170 WeakPolarHBondContact O-CA 3.44Å; F144-I171 PolarHBondContact O-N 3.48Å
145L94Very high91.3Very high0 Ų058 Ų580%028%0.279CS..EExtended strand (participates in β ladder)trans-111.8150.8174.1-55.6-179.2000109.1L80 C81 L82 I83 V143 I171 V173 I184 A187L80-L145 HydrophobicContact CD2-CD1 4.19Å; L80-L145 HydrophobicContact CD2-CG 4.29Å; C81-L145 PolarHBondContact O-N 2.71Å; L82-L145 HydrophobicContact CD1-CB 3.63Å; I83-L145 PolarHBondContact N-O 2.82Å; V143-L145 HydrophobicContact CG1-CD2 4.01Å; L145-I171 CarbonylContact C-O 3.58Å; L145-I171 WeakPolarHBondContact CA-O 3.46Å; L145-I171 HydrophobicContact CD2-CB 3.93Å; L145-I171 HydrophobicContact CD2-CD1 4.08Å; L145-I171 HydrophobicContact CD2-CG1 4.48Å; L145-V173 HydrophobicContact CB-CG2 4.23Å; L145-V173 HydrophobicContact CD1-CG2 4.4Å; L145-V173 HydrophobicContact CD2-CG2 3.92Å; L145-V173 HydrophobicContact CG-CG2 4.41Å; L145-I184 HydrophobicContact CD1-CB 4.49Å; L145-I184 HydrophobicContact CD1-CG1 4.13Å; L145-I184 HydrophobicContact CD1-CG2 3.85Å; L145-A187 HydrophobicContact CD2-CB 4.42Å
146V94Very high91.1Very high0 Ų058.6 Ų58.60%028%0.28CS..EExtended strand (participates in β ladder)trans-134.9135.8179.2161.80000110I83 K148 L150 L152 L155 P170 I171 P172 V173I83-V146 HydrophobicContact CB-CG2 3.77Å; I83-V146 HydrophobicContact CD1-CG2 3.97Å; I83-V146 HydrophobicContact CG1-CG2 4.24Å; I83-V146 HydrophobicContact CG2-CG2 4.37Å; I83-V146 WeakPolarHBondContact O-CA 3.44Å; V146-K148 PolarHBondContact O-N 2.88Å; V146-L150 HydrophobicContact CG1-CB 3.98Å; V146-L150 HydrophobicContact CG1-CD1 4.26Å; V146-L152 HydrophobicContact CB-CD2 4.42Å; V146-L152 HydrophobicContact CG1-CD2 3.92Å; V146-L155 HydrophobicContact CB-CD2 4.24Å; V146-L155 HydrophobicContact CG1-CD2 4.06Å; V146-L155 HydrophobicContact CG2-CD2 3.11Å; V146-P170 HydrophobicContact CB-CB 4.1Å; V146-P170 HydrophobicContact CG2-CB 3.2Å; V146-P170 HydrophobicContact CG2-CG 3.87Å; V146-I171 PolarHBondContact N-O 2.77Å; V146-P172 CarbonylContact O-C 3.52Å; V146-P172 WeakPolarHBondContact O-CA 3Å; V146-V173 PolarHBondContact O-N 2.83Å
147D92.5Very high90.9Very high0 Ų057.7 Ų57.70%028%0.281CS..EExtended strand (participates in β ladder)trans-58.6125.5167.3-169.1-16.8000110.9I83 R149 L150 V173 I175I83-D147 PolarHBondContact O-N 3.41Å; D147-R149 PolarHBondContact O-N 3.08Å; D147-R149 PolarHBondContact OD1-N 3.32Å; D147-R149 IonicContact OD1-NE 2.72Å; D147-R149 PolarHBondContact OD1-NE 3.16Å; D147-R149 IonicContact OD2-CZ 3.89Å; D147-R149 IonicContact OD2-NE 3.17Å; D147-R149 PolarHBondContact OD2-NE 3.41Å; D147-R149 IonicContact OD2-NH2 2.79Å; D147-R149 PolarHBondContact OD2-NH2 2.89Å; D147-L150 WeakPolarHBondContact O-CB 3.33Å; D147-L150 PolarHBondContact O-N 3.13Å; D147-V173 CarbonylContact C-O 3.56Å; D147-V173 WeakPolarHBondContact CA-O 3.48Å; D147-I175 HydrophobicContact CB-CD1 3.58Å; D147-I175 HydrophobicContact CB-CG1 4.25Å
148K90.4Very high90.8Very high108 Ų10858.8 Ų58.847%0.4729%0.287SS..THydrogen-bonded Turntrans-52-25.5175.3-79.4-176.8-168179.90114.1V146 L150 P172 V173 N174V146-K148 PolarHBondContact O-N 2.88Å; K148-L150 PolarHBondContact O-N 3.13Å; K148-P172 HydrophobicContact CG-CB 4.01Å; K148-V173 PolarHBondContact N-O 2.86Å; K148-N174 HydrophobicContact CD-CB 3.93Å
149R87.3Confident90.7Very high148 Ų14858.8 Ų58.856%0.55829%0.288SS*.THydrogen-bonded Turntrans-67-20.4176.4-64.4-178.9-67.8-178.40.4112.8D147D147-R149 PolarHBondContact O-N 3.08Å; D147-R149 PolarHBondContact OD1-N 3.32Å; D147-R149 IonicContact OD1-NE 2.72Å; D147-R149 PolarHBondContact OD1-NE 3.16Å; D147-R149 IonicContact OD2-CZ 3.89Å; D147-R149 IonicContact OD2-NE 3.17Å; D147-R149 PolarHBondContact OD2-NE 3.41Å; D147-R149 IonicContact OD2-NH2 2.79Å; D147-R149 PolarHBondContact OD2-NH2 2.89Å
150L88.5Confident90.5Very high14 Ų1453.6 Ų53.67%0.07327%0.272CS..SBendtrans-81.4134177.7-74.7176.7000112.4I83 R85 M121 V146 D147 K148 L152I83-L150 HydrophobicContact CG2-CD1 4Å; R85-L150 HydrophobicContact CB-CD2 3.64Å; R85-L150 HydrophobicContact CB-CG 3.97Å; R85-L150 HydrophobicContact CG-CD2 4Å; M121-L150 HydrophobicContact CG-CD1 3.57Å; M121-L150 HydrophobicContact CG-CD2 3.4Å; M121-L150 VanDerWaalsContact CG-CD2 3.4Å; M121-L150 HydrophobicContact CG-CG 4.11Å; M121-L150 HydrophobicContact SD-CD1 3.87Å; M121-L150 HydrophobicContact SD-CD2 4.31Å; V146-L150 HydrophobicContact CG1-CB 3.98Å; V146-L150 HydrophobicContact CG1-CD1 4.26Å; D147-L150 WeakPolarHBondContact O-CB 3.33Å; D147-L150 PolarHBondContact O-N 3.13Å; K148-L150 PolarHBondContact O-N 3.13Å; L150-L152 PolarHBondContact O-N 3.42Å
151P87.6Confident90.3Very high79 Ų7955.2 Ų55.251%0.51328%0.276SS..  trans-70.4104.4175.227.1-31.7000110.6S153 K154 L155P151-S153 PolarHBondContact O-N 2.94Å; P151-S153 VanDerWaalsContact O-N 3.07Å; P151-K154 HydrophobicContact CB-CB 4.45Å; P151-K154 HydrophobicContact CG-CB 4.01Å; P151-K154 PolarHBondContact O-N 2.95Å; P151-L155 PolarHBondContact O-N 3.22Å
152L87.9Confident90.2Very high54 Ų5453.4 Ų53.428%0.28327%0.269SS..Hα-helixtrans-49.5-37.2178.7-68.2171.9000113.1V146 L150 K154 L155 Y156 P172V146-L152 HydrophobicContact CB-CD2 4.42Å; V146-L152 HydrophobicContact CG1-CD2 3.92Å; L150-L152 PolarHBondContact O-N 3.42Å; L152-K154 VanDerWaalsContact C-N 3.31Å; L152-K154 PolarHBondContact O-N 2.9Å; L152-L155 PolarHBondContact O-N 3.42Å; L152-Y156 HydrophobicContact CB-CE2 4.06Å; L152-Y156 WeakPolarHBondContact O-CD2 3.38Å; L152-Y156 VanDerWaalsContact O-CG 3.26Å; L152-Y156 PolarHBondContact O-N 2.91Å; L152-P172 HydrophobicContact CD1-CB 4.47Å; L152-P172 HydrophobicContact CD1-CG 4.44Å
153S86.2Confident90.3Very high90 Ų9049.5 Ų49.563%0.62925%0.248SC*.Hα-helixtrans-61.5-34.9177.9-57.30000113.6P151 K157P151-S153 PolarHBondContact O-N 2.94Å; P151-S153 VanDerWaalsContact O-N 3.07Å; S153-K157 WeakPolarHBondContact O-CG 3.11Å
154K89.1Confident90Very high120 Ų12055.6 Ų55.652%0.52227%0.269SS..Hα-helixtrans-75.5-44.5176-172.5-178.4178-173.80109.5P151 L152 Y156 K157 V158P151-K154 HydrophobicContact CB-CB 4.45Å; P151-K154 HydrophobicContact CG-CB 4.01Å; P151-K154 PolarHBondContact O-N 2.95Å; L152-K154 VanDerWaalsContact C-N 3.31Å; L152-K154 PolarHBondContact O-N 2.9Å; K154-Y156 PolarHBondContact O-N 3.25Å; K154-K157 WeakPolarHBondContact O-CB 3.37Å; K154-K157 PolarHBondContact O-N 2.83Å; K154-K157 VanDerWaalsContact O-N 3.14Å; K154-V158 PolarHBondContact O-N 2.79Å; K154-V158 VanDerWaalsContact O-N 3.16Å
155L91.7Very high89.6Confident1 Ų161.8 Ų61.81%0.00530%0.301CS..Hα-helixtrans-60.1-47179.8176.563.5000112.7I83 M121 L124 V146 P151 L152 K157 V158 L159 P170I83-L155 HydrophobicContact CD1-CD1 4.09Å; I83-L155 HydrophobicContact CD1-CD2 4.15Å; I83-L155 HydrophobicContact CG2-CD1 4.13Å; I83-L155 HydrophobicContact CG2-CD2 4.46Å; M121-L155 HydrophobicContact CE-CB 4.49Å; M121-L155 HydrophobicContact CE-CD1 4.11Å; M121-L155 HydrophobicContact SD-CB 4.42Å; M121-L155 HydrophobicContact SD-CD1 3.62Å; L124-L155 HydrophobicContact CD2-CD1 3.6Å; V146-L155 HydrophobicContact CB-CD2 4.24Å; V146-L155 HydrophobicContact CG1-CD2 4.06Å; V146-L155 HydrophobicContact CG2-CD2 3.11Å; P151-L155 PolarHBondContact O-N 3.22Å; L152-L155 PolarHBondContact O-N 3.42Å; L155-K157 PolarHBondContact O-N 3.4Å; L155-V158 PolarHBondContact O-N 3.21Å; L155-L159 HydrophobicContact CD1-CD1 3.86Å; L155-L159 HydrophobicContact CD1-CD2 4.3Å; L155-L159 HydrophobicContact CD1-CG 3.81Å; L155-L159 HydrophobicContact CD2-CD1 4.31Å; L155-L159 HydrophobicContact CG-CD1 3.76Å; L155-L159 HydrophobicContact CG-CG 4.15Å; L155-L159 WeakPolarHBondContact O-CG 3.17Å; L155-L159 PolarHBondContact O-N 2.97Å; L155-P170 HydrophobicContact CD2-CB 4.37Å; L155-P170 HydrophobicContact CD2-CG 4.02Å
156Y88.8Confident89.2Confident71 Ų7164.9 Ų64.928%0.27832%0.316SS..Hα-helixtrans-61.5-27.8177.9-64.9-28.9000113L152 K154 G160 L169L152-Y156 HydrophobicContact CB-CE2 4.06Å; L152-Y156 WeakPolarHBondContact O-CD2 3.38Å; L152-Y156 VanDerWaalsContact O-CG 3.26Å; L152-Y156 PolarHBondContact O-N 2.91Å; K154-Y156 PolarHBondContact O-N 3.25Å; Y156-G160 PolarHBondContact O-N 2.88Å; Y156-G160 VanDerWaalsContact O-N 3.14Å; Y156-L169 HydrophobicContact CD1-CD2 4Å; Y156-L169 HydrophobicContact CE1-CB 4.23Å; Y156-L169 HydrophobicContact CE1-CD2 4.05Å
157K89.4Confident88.8Confident175 Ų17572.9 Ų72.976%0.76135%0.35SS*.Hα-helixtrans-71.1-38.5172.3-70.7175.5178.6-174.80112S153 K154 L155S153-K157 WeakPolarHBondContact O-CG 3.11Å; K154-K157 WeakPolarHBondContact O-CB 3.37Å; K154-K157 PolarHBondContact O-N 2.83Å; K154-K157 VanDerWaalsContact O-N 3.14Å; L155-K157 PolarHBondContact O-N 3.4Å
158V92Very high88.6Confident25 Ų2575 Ų7515%0.15236%0.359CS..Hα-helixtrans-69.3-50.6178.5178.10000110.6M121 L124 I125 K134 K154 L155 G160M121-V158 HydrophobicContact CE-CG2 4.33Å; L124-V158 HydrophobicContact CD2-CB 4.34Å; L124-V158 HydrophobicContact CD2-CG1 3.67Å; L124-V158 HydrophobicContact CG-CG1 3.9Å; I125-V158 HydrophobicContact CD1-CG2 4.36Å; I125-V158 HydrophobicContact CG1-CG1 3.89Å; I125-V158 HydrophobicContact CG1-CG2 4.03Å; K134-V158 VanDerWaalsContact CE-O 3.25Å; K134-V158 WeakPolarHBondContact CE-O 3.37Å; K134-V158 PolarHBondContact NZ-O 3.07Å; K154-V158 PolarHBondContact O-N 2.79Å; K154-V158 VanDerWaalsContact O-N 3.16Å; L155-V158 PolarHBondContact O-N 3.21Å; V158-G160 VanDerWaalsContact C-N 3.26Å; V158-G160 PolarHBondContact O-N 3.22Å
159L91.3Very high88.5Confident1 Ų171.4 Ų71.41%0.00535%0.345CS..Hα-helixtrans-62.1-33.1178.9-65.9176000112.8L124 L155 F163 P170L124-L159 HydrophobicContact CD1-CD2 4.02Å; L124-L159 HydrophobicContact CD2-CD2 3.63Å; L124-L159 HydrophobicContact CD2-CG 4.23Å; L124-L159 HydrophobicContact CG-CD2 4.4Å; L155-L159 HydrophobicContact CD1-CD1 3.86Å; L155-L159 HydrophobicContact CD1-CD2 4.3Å; L155-L159 HydrophobicContact CD1-CG 3.81Å; L155-L159 HydrophobicContact CD2-CD1 4.31Å; L155-L159 HydrophobicContact CG-CD1 3.76Å; L155-L159 HydrophobicContact CG-CG 4.15Å; L155-L159 WeakPolarHBondContact O-CG 3.17Å; L155-L159 PolarHBondContact O-N 2.97Å; L159-F163 HydrophobicContact CB-CB 4.06Å; L159-F163 HydrophobicContact CB-CD2 3.67Å; L159-F163 HydrophobicContact CB-CE2 4.29Å; L159-F163 HydrophobicContact CB-CG 3.82Å; L159-F163 HydrophobicContact CD1-CD1 4.11Å; L159-F163 HydrophobicContact CD1-CE1 4.49Å; L159-F163 HydrophobicContact CD1-CG 4.18Å; L159-F163 HydrophobicContact CD2-CD1 4.12Å; L159-F163 HydrophobicContact CD2-CD2 3.78Å; L159-F163 HydrophobicContact CD2-CE1 3.88Å; L159-F163 HydrophobicContact CD2-CE2 3.54Å; L159-F163 HydrophobicContact CD2-CG 4.08Å; L159-F163 HydrophobicContact CD2-CZ 3.6Å; L159-F163 HydrophobicContact CG-CD1 4.5Å; L159-F163 HydrophobicContact CG-CD2 4.21Å; L159-F163 HydrophobicContact CG-CE2 4.45Å; L159-F163 HydrophobicContact CG-CG 4.25Å; L159-P170 HydrophobicContact CD1-CG 3.54Å
160G87.8Confident88.7Confident25 Ų2564.3 Ų64.326%0.25832%0.318SS..Hα-helixtrans67.4-158.3174.200000114.4Y156 V158 P162Y156-G160 PolarHBondContact O-N 2.88Å; Y156-G160 VanDerWaalsContact O-N 3.14Å; V158-G160 VanDerWaalsContact C-N 3.26Å; V158-G160 PolarHBondContact O-N 3.22Å; G160-P162 VanDerWaalsContact C-CD 3.46Å
161N88.7Confident88.9Confident97 Ų9764.4 Ų64.452%0.51932%0.319SS..Hα-helixtrans-67.7-33.5-177.6-74.5-28.7000115.9F163 R164 L165N161-F163 VanDerWaalsContact C-N 3.33Å; N161-F163 PolarHBondContact O-N 3.04Å; N161-R164 WeakPolarHBondContact O-CB 3.16Å; N161-R164 PolarHBondContact O-N 3.44Å; N161-R164 PolarHBondContact OD1-NH2 2.76Å; N161-L165 PolarHBondContact O-N 3.37Å
162P91.1Very high89.1Confident4 Ų462.5 Ų62.53%0.02631%0.306CS..Hα-helixtrans-52.1-48.9-179.4-28.533.7000113.2F131 K134 Q135 G160 R164 L165 H166F131-P162 HydrophobicContact CD2-CG 3.61Å; F131-P162 HydrophobicContact CE2-CG 3.49Å; F131-P162 VanDerWaalsContact CE2-CG 3.49Å; F131-P162 HydrophobicContact CG-CG 4.25Å; F131-P162 HydrophobicContact CZ-CG 4.03Å; K134-P162 HydrophobicContact CB-CB 4.22Å; K134-P162 HydrophobicContact CB-CG 3.95Å; Q135-P162 HydrophobicContact CB-CB 4.45Å; G160-P162 VanDerWaalsContact C-CD 3.46Å; P162-R164 VanDerWaalsContact C-N 3.29Å; P162-R164 PolarHBondContact O-N 3.23Å; P162-L165 PolarHBondContact O-N 2.9Å; P162-H166 PolarHBondContact O-CD2 3.37Å; P162-H166 VanDerWaalsContact O-CD2 3.27Å; P162-H166 PolarHBondContact O-N 3.46Å; P162-H166 VanDerWaalsContact O-N 3.12Å
163F91.4Very high89.3Confident0 Ų060 Ų600%029%0.293CS..Hα-helixtrans-64.4-34.1178.8-80.7-98.8000112.9K134 L137 A138 F144 L159 N161 K167 K168 L169K134-F163 HydrophobicContact CB-CE2 4.22Å; K134-F163 WeakPolarHBondContact O-CE2 3.31Å; L137-F163 HydrophobicContact CB-CZ 4.24Å; L137-F163 HydrophobicContact CD2-CE2 4.47Å; L137-F163 HydrophobicContact CD2-CZ 3.83Å; L137-F163 HydrophobicContact CG-CZ 3.93Å; A138-F163 HydrophobicContact CB-CD1 4.4Å; A138-F163 HydrophobicContact CB-CD2 4.35Å; A138-F163 HydrophobicContact CB-CE1 4.23Å; A138-F163 HydrophobicContact CB-CE2 4.16Å; A138-F163 HydrophobicContact CB-CG 4.46Å; A138-F163 HydrophobicContact CB-CZ 4.09Å; F144-F163 AromaticContact CD1-CE1 3.92Å; F144-F163 HydrophobicContact CD1-CE1 3.92Å; F144-F163 HydrophobicContact CD2-CD1 4.36Å; F144-F163 AromaticContact CD2-CE1 3.89Å; F144-F163 HydrophobicContact CD2-CE1 3.89Å; F144-F163 AromaticContact CE1-CE1 3.67Å; F144-F163 HydrophobicContact CE1-CE1 3.67Å; F144-F163 HydrophobicContact CE1-CZ 4.08Å; F144-F163 HydrophobicContact CE2-CD1 4.35Å; F144-F163 AromaticContact CE2-CE1 3.64Å; F144-F163 HydrophobicContact CE2-CE1 3.64Å; F144-F163 HydrophobicContact CE2-CZ 4.48Å; F144-F163 HydrophobicContact CG-CE1 4.03Å; F144-F163 AromaticContact CZ-CE1 3.52Å; F144-F163 HydrophobicContact CZ-CE1 3.52Å; F144-F163 AromaticContact CZ-CZ 3.99Å; F144-F163 HydrophobicContact CZ-CZ 3.99Å; L159-F163 HydrophobicContact CB-CB 4.06Å; L159-F163 HydrophobicContact CB-CD2 3.67Å; L159-F163 HydrophobicContact CB-CE2 4.29Å; L159-F163 HydrophobicContact CB-CG 3.82Å; L159-F163 HydrophobicContact CD1-CD1 4.11Å; L159-F163 HydrophobicContact CD1-CE1 4.49Å; L159-F163 HydrophobicContact CD1-CG 4.18Å; L159-F163 HydrophobicContact CD2-CD1 4.12Å; L159-F163 HydrophobicContact CD2-CD2 3.78Å; L159-F163 HydrophobicContact CD2-CE1 3.88Å; L159-F163 HydrophobicContact CD2-CE2 3.54Å; L159-F163 HydrophobicContact CD2-CG 4.08Å; L159-F163 HydrophobicContact CD2-CZ 3.6Å; L159-F163 HydrophobicContact CG-CD1 4.5Å; L159-F163 HydrophobicContact CG-CD2 4.21Å; L159-F163 HydrophobicContact CG-CE2 4.45Å; L159-F163 HydrophobicContact CG-CG 4.25Å; N161-F163 VanDerWaalsContact C-N 3.33Å; N161-F163 PolarHBondContact O-N 3.04Å; F163-K167 PolarHBondContact O-N 2.85Å; F163-K168 PolarHBondContact O-N 2.9Å; F163-L169 HydrophobicContact CB-CD2 4.48Å
164R86.1Confident89.4Confident153 Ų15357.8 Ų57.858%0.57728%0.275SS*.Hα-helixtrans-70.9-39.7176.9-172.1176.166.3171.42111.8N161 P162 K167N161-R164 WeakPolarHBondContact O-CB 3.16Å; N161-R164 PolarHBondContact O-N 3.44Å; N161-R164 PolarHBondContact OD1-NH2 2.76Å; P162-R164 VanDerWaalsContact C-N 3.29Å; P162-R164 PolarHBondContact O-N 3.23Å; R164-K167 PolarHBondContact O-N 2.84Å
165L86.1Confident89.2Confident132 Ų13252.4 Ų52.469%0.69125%0.251SS*.Hα-helixtrans-63.9-44.8178.8-17665.6000111N161 P162 K167N161-L165 PolarHBondContact O-N 3.37Å; P162-L165 PolarHBondContact O-N 2.9Å; L165-K167 PolarHBondContact O-N 3.47Å
166H85.9Confident88.8Confident66 Ų6654.7 Ų54.731%0.30628%0.275SS..THydrogen-bonded Turntrans-75.9-0.5176.7-70.4-68.7000113.9P162 K168P162-H166 PolarHBondContact O-CD2 3.37Å; P162-H166 VanDerWaalsContact O-CD2 3.27Å; P162-H166 PolarHBondContact O-N 3.46Å; P162-H166 VanDerWaalsContact O-N 3.12Å; H166-K168 HydrophobicContact CB-CD 4.38Å; H166-K168 HydrophobicContact CB-CG 4.26Å; H166-K168 PolarHBondContact O-N 2.77Å; H166-K168 VanDerWaalsContact O-N 3.11Å
167K85.2Confident88.4Confident167 Ų16757.9 Ų57.973%0.72629%0.287SS*.THydrogen-bonded Turntrans5718.8-175.8-56.1177.7-177.2173.80114.4F163 R164 L165 L169F163-K167 PolarHBondContact O-N 2.85Å; R164-K167 PolarHBondContact O-N 2.84Å; L165-K167 PolarHBondContact O-N 3.47Å; K167-L169 VanDerWaalsContact C-N 3.29Å; K167-L169 PolarHBondContact O-N 3.23Å
168K87.9Confident87.9Confident44 Ų4453.6 Ų53.619%0.19128%0.279CS..  trans-93.142.6-178-69.4-176.2178.2-171.80112.1A138 Y141 F144 F163 H166A138-K168 WeakPolarHBondContact O-CD 3.26Å; A138-K168 WeakPolarHBondContact O-CE 3.31Å; A138-K168 PolarHBondContact O-NZ 2.97Å; Y141-K168 PolarHBondContact O-NZ 3.01Å; F144-K168 HydrophobicContact CD2-CB 3.99Å; F144-K168 HydrophobicContact CE2-CB 4.19Å; F144-K168 HydrophobicContact CE2-CD 4.16Å; F163-K168 PolarHBondContact O-N 2.9Å; H166-K168 HydrophobicContact CB-CD 4.38Å; H166-K168 HydrophobicContact CB-CG 4.26Å; H166-K168 PolarHBondContact O-N 2.77Å; H166-K168 VanDerWaalsContact O-N 3.11Å
169L88.9Confident87.6Confident33 Ų3358.7 Ų58.717%0.17330%0.301CS..PPolyproline II helixtrans-68.3130178.1-70.2177.9000110.1Y156 F163 K167 R192 T194Y156-L169 HydrophobicContact CD1-CD2 4Å; Y156-L169 HydrophobicContact CE1-CB 4.23Å; Y156-L169 HydrophobicContact CE1-CD2 4.05Å; F163-L169 HydrophobicContact CB-CD2 4.48Å; K167-L169 VanDerWaalsContact C-N 3.29Å; K167-L169 PolarHBondContact O-N 3.23Å; L169-R192 PolarHBondContact O-NH1 3.35Å; L169-T194 HydrophobicContact CD1-CG2 4.34Å
170P92.1Very high87.4Confident0 Ų058.9 Ų58.90%030%0.301CS..PPolyproline II helixtrans-57.3151.1-173.9-25.627.5000115.9I83 F144 V146 L155 L159 R192I83-P170 HydrophobicContact CD1-CB 4.47Å; I83-P170 HydrophobicContact CD1-CG 3.86Å; F144-P170 HydrophobicContact CB-CB 3.92Å; F144-P170 HydrophobicContact CB-CG 3.85Å; F144-P170 CarbonylContact O-C 3.45Å; F144-P170 VanDerWaalsContact O-CA 3.23Å; F144-P170 WeakPolarHBondContact O-CA 3.44Å; V146-P170 HydrophobicContact CB-CB 4.1Å; V146-P170 HydrophobicContact CG2-CB 3.2Å; V146-P170 HydrophobicContact CG2-CG 3.87Å; L155-P170 HydrophobicContact CD2-CB 4.37Å; L155-P170 HydrophobicContact CD2-CG 4.02Å; L159-P170 HydrophobicContact CD1-CG 3.54Å; P170-R192 PolarHBondContact O-NH1 2.87Å; P170-R192 VanDerWaalsContact O-NH1 3.17Å; P170-R192 PolarHBondContact O-NH2 2.8Å
171I92.1Very high87.4Confident15 Ų1562 Ų628%0.07731%0.309CS..EExtended strand (participates in β ladder)trans-100124.7179.2-54.3161.3000109.2V143 F144 L145 V146 V173 A187V143-I171 HydrophobicContact CG1-CD1 3.71Å; F144-I171 PolarHBondContact O-N 3.48Å; L145-I171 CarbonylContact C-O 3.58Å; L145-I171 WeakPolarHBondContact CA-O 3.46Å; L145-I171 HydrophobicContact CD2-CB 3.93Å; L145-I171 HydrophobicContact CD2-CD1 4.08Å; L145-I171 HydrophobicContact CD2-CG1 4.48Å; V146-I171 PolarHBondContact N-O 2.77Å; I171-V173 PolarHBondContact O-N 2.8Å; I171-A187 HydrophobicContact CG2-CB 3.93Å
172P91.5Very high87.4Confident39 Ų3961.7 Ų61.725%0.25331%0.305SS..EExtended strand (participates in β ladder)trans-72.2123.8178.128.2-33.6000112.1V146 K148 L152V146-P172 CarbonylContact O-C 3.52Å; V146-P172 WeakPolarHBondContact O-CA 3Å; K148-P172 HydrophobicContact CG-CB 4.01Å; L152-P172 HydrophobicContact CD1-CB 4.47Å; L152-P172 HydrophobicContact CD1-CG 4.44Å
173V91.5Very high87.4Confident2 Ų262.1 Ų62.11%0.01231%0.308CS..EExtended strand (participates in β ladder)trans-125141.5179.3-178.90000109.3L145 V146 D147 K148 I171 I184 A187L145-V173 HydrophobicContact CB-CG2 4.23Å; L145-V173 HydrophobicContact CD1-CG2 4.4Å; L145-V173 HydrophobicContact CD2-CG2 3.92Å; L145-V173 HydrophobicContact CG-CG2 4.41Å; V146-V173 PolarHBondContact O-N 2.83Å; D147-V173 CarbonylContact C-O 3.56Å; D147-V173 WeakPolarHBondContact CA-O 3.48Å; K148-V173 PolarHBondContact N-O 2.86Å; I171-V173 PolarHBondContact O-N 2.8Å; V173-I184 HydrophobicContact CG1-CG1 4.11Å; V173-A187 HydrophobicContact CG2-CB 3.58Å
174N89.1Confident87.3Confident44 Ų4462.3 Ų62.324%0.23531%0.309CS..  trans-89.8111173.7-165.4-3.9000109K148 G176 R177K148-N174 HydrophobicContact CD-CB 3.93Å; N174-G176 PolarHBondContact OD1-N 3.34Å; N174-R177 HydrophobicContact CB-CG 4.17Å
175I85.7Confident87.5Confident6 Ų655.7 Ų55.73%0.03129%0.286CS..THydrogen-bonded Turntrans-76.5-27.8178.8-57.9174000110.7L82 V84 Y106 D147 R177 I180L82-I175 HydrophobicContact CD1-CD1 4.07Å; L82-I175 HydrophobicContact CD1-CG1 4.47Å; L82-I175 HydrophobicContact CD2-CD1 3.88Å; L82-I175 HydrophobicContact CD2-CG1 4.47Å; L82-I175 HydrophobicContact CG-CD1 4.24Å; V84-I175 HydrophobicContact CG1-CD1 4.07Å; V84-I175 HydrophobicContact CG2-CD1 3.97Å; Y106-I175 HydrophobicContact CD1-CG2 4.12Å; Y106-I175 HydrophobicContact CE1-CG2 3.69Å; Y106-I175 PolarHBondContact OH-O 2.91Å; D147-I175 HydrophobicContact CB-CD1 3.58Å; D147-I175 HydrophobicContact CB-CG1 4.25Å; I175-R177 VanDerWaalsContact C-N 3.25Å; I175-R177 PolarHBondContact O-N 2.8Å; I175-R177 VanDerWaalsContact O-N 3.16Å; I175-I180 HydrophobicContact CG2-CD1 4.29Å; I175-I180 WeakPolarHBondContact O-CD1 3.42Å; I175-I180 WeakPolarHBondContact O-CG1 3.3Å
176G81.6Confident87.6Confident49 Ų4952.8 Ų52.851%0.50527%0.268SS..THydrogen-bonded Turntrans-77.65-175.700000116.2N174N174-G176 PolarHBondContact OD1-N 3.34Å
177R81.1Confident87.7Confident139 Ų13949.6 Ų49.653%0.52525%0.253SS..SBendtrans-85.5152.2177.8-75.1-176.2174.1-179.3-5.6110.4R110 N174 I175 I180R110-R177 PolarHBondContact NH1-O 3.28Å; N174-R177 HydrophobicContact CB-CG 4.17Å; I175-R177 VanDerWaalsContact C-N 3.25Å; I175-R177 PolarHBondContact O-N 2.8Å; I175-R177 VanDerWaalsContact O-N 3.16Å; R177-I180 WeakPolarHBondContact O-CG1 3.45Å
178S78.5Confident87.9Confident85 Ų8542 Ų4259%0.59422%0.22SC*.SBendtrans-55.8-50.8175.549.70000112.1I180S178-I180 PolarHBondContact O-N 3.43Å
179H85.6Confident87.9Confident132 Ų13240 Ų4061%0.61121%0.213SC*.  trans-91.772.2-178.2-51.8-66.5000111.9E182 S183H179-E182 HydrophobicContact CB-CB 4.25Å; H179-S183 WeakPolarHBondContact O-CB 3.46Å; H179-S183 PolarHBondContact O-N 3.17Å
180I88.2Confident88Confident4 Ų441.1 Ų41.12%0.02121%0.214CC..Hα-helixtrans-65.9-46-179.5-56.3-179.4000110.9Y106 L107 V112 I175 R177 S178 E182 S183 I184Y106-I180 HydrophobicContact CD1-CD1 4.17Å; Y106-I180 HydrophobicContact CE1-CD1 3.43Å; Y106-I180 VanDerWaalsContact CE1-CD1 3.43Å; L107-I180 HydrophobicContact CD2-CD1 4.43Å; L107-I180 HydrophobicContact CD2-CG2 4.19Å; V112-I180 HydrophobicContact CG2-CB 4.12Å; V112-I180 HydrophobicContact CG2-CG2 4.36Å; I175-I180 HydrophobicContact CG2-CD1 4.29Å; I175-I180 WeakPolarHBondContact O-CD1 3.42Å; I175-I180 WeakPolarHBondContact O-CG1 3.3Å; R177-I180 WeakPolarHBondContact O-CG1 3.45Å; S178-I180 PolarHBondContact O-N 3.43Å; I180-E182 PolarHBondContact O-N 2.99Å; I180-S183 CarbonylContact O-C 3.51Å; I180-S183 WeakPolarHBondContact O-CA 3.21Å; I180-S183 WeakPolarHBondContact O-CB 3.33Å; I180-S183 PolarHBondContact O-N 2.89Å; I180-I184 HydrophobicContact CG2-CD1 3.69Å; I180-I184 HydrophobicContact CG2-CG1 4.15Å; I180-I184 WeakPolarHBondContact O-CG1 3.36Å; I180-I184 PolarHBondContact O-N 3.04Å
181E88.2Confident88Confident91 Ų9141.5 Ų41.543%0.42522%0.216SC..Hα-helixtrans-57.1-47.7-177.9-172.6-177.4-168.900111.7V112 S183 I184 S185V112-E181 HydrophobicContact CG2-CB 4.33Å; E181-S183 VanDerWaalsContact C-N 3.29Å; E181-S183 PolarHBondContact O-N 3.27Å; E181-I184 PolarHBondContact O-N 3.31Å; E181-I184 VanDerWaalsContact O-N 3.15Å; E181-S185 WeakPolarHBondContact O-CB 3.46Å; E181-S185 PolarHBondContact O-N 3.03Å
182E88.4Confident87.9Confident91 Ų9143.3 Ų43.343%0.42522%0.222SC..Hα-helixtrans-62.8-38.7177.6-159.7-153.3-172.300111.4H179 I180 K186H179-E182 HydrophobicContact CB-CB 4.25Å; I180-E182 PolarHBondContact O-N 2.99Å; E182-K186 VanDerWaalsContact CD-CE 3.42Å; E182-K186 HydrophobicContact CG-CD 4.31Å; E182-K186 WeakPolarHBondContact O-CB 3.3Å; E182-K186 WeakPolarHBondContact O-CG 3.24Å; E182-K186 PolarHBondContact O-N 2.84Å; E182-K186 WeakPolarHBondContact OE1-CE 3.3Å; E182-K186 IonicContact OE1-NZ 3.5Å; E182-K186 PolarHBondContact OE1-NZ 3.25Å; E182-K186 IonicContact OE2-NZ 2.77Å; E182-K186 PolarHBondContact OE2-NZ 2.89Å
183S89.5Confident87.8Confident13 Ų1341.8 Ų41.89%0.09121%0.212CC..Hα-helixtrans-65.2-37.9176177.90000112.1H179 I180 E181 A187H179-S183 WeakPolarHBondContact O-CB 3.46Å; H179-S183 PolarHBondContact O-N 3.17Å; I180-S183 CarbonylContact O-C 3.51Å; I180-S183 WeakPolarHBondContact O-CA 3.21Å; I180-S183 WeakPolarHBondContact O-CB 3.33Å; I180-S183 PolarHBondContact O-N 2.89Å; E181-S183 VanDerWaalsContact C-N 3.29Å; E181-S183 PolarHBondContact O-N 3.27Å; S183-A187 VanDerWaalsContact O-CB 3.24Å; S183-A187 WeakPolarHBondContact O-CB 3.44Å; S183-A187 PolarHBondContact O-N 3.38Å
184I90.4Very high87.6Confident3 Ų343.7 Ų43.72%0.01522%0.224CC..Hα-helixtrans-67.4-52.9174.1-70.8172.9000110L80 V112 V115 L145 V173 I180 E181 K186 A187 V188L80-I184 HydrophobicContact CD1-CG2 4.24Å; V112-I184 HydrophobicContact CG1-CD1 3.79Å; V115-I184 HydrophobicContact CG2-CD1 3.85Å; L145-I184 HydrophobicContact CD1-CB 4.49Å; L145-I184 HydrophobicContact CD1-CG1 4.13Å; L145-I184 HydrophobicContact CD1-CG2 3.85Å; V173-I184 HydrophobicContact CG1-CG1 4.11Å; I180-I184 HydrophobicContact CG2-CD1 3.69Å; I180-I184 HydrophobicContact CG2-CG1 4.15Å; I180-I184 WeakPolarHBondContact O-CG1 3.36Å; I180-I184 PolarHBondContact O-N 3.04Å; E181-I184 PolarHBondContact O-N 3.31Å; E181-I184 VanDerWaalsContact O-N 3.15Å; I184-K186 VanDerWaalsContact C-N 3.3Å; I184-K186 PolarHBondContact O-N 3.05Å; I184-A187 CarbonylContact O-C 3.51Å; I184-A187 WeakPolarHBondContact O-CA 3.48Å; I184-A187 WeakPolarHBondContact O-CB 3.48Å; I184-A187 PolarHBondContact O-N 3.41Å; I184-V188 HydrophobicContact CG2-CG2 4.2Å; I184-V188 WeakPolarHBondContact O-CG2 3.46Å; I184-V188 PolarHBondContact O-N 3.31Å
185S89.2Confident87.6Confident14 Ų1441.8 Ų41.810%0.09821%0.214CC..Hα-helixtrans-56.2-45.8178.7-175.20000111.3R71 E181 A187 V188 S189R71-S185 PolarHBondContact NH1-OG 3.15Å; E181-S185 WeakPolarHBondContact O-CB 3.46Å; E181-S185 PolarHBondContact O-N 3.03Å; S185-A187 VanDerWaalsContact C-N 3.26Å; S185-A187 PolarHBondContact O-N 3.42Å; S185-V188 PolarHBondContact O-N 2.95Å; S185-S189 WeakPolarHBondContact O-CB 3.21Å; S185-S189 PolarHBondContact O-N 2.91Å; S185-S189 PolarHBondContact O-OG 3.49Å
186K88.5Confident87.6Confident71 Ų7144.6 Ų44.631%0.30923%0.231SC..Hα-helixtrans-61.3-31.7173-77.7172.8179.2165.20113.1E182 I184 R190E182-K186 VanDerWaalsContact CD-CE 3.42Å; E182-K186 HydrophobicContact CG-CD 4.31Å; E182-K186 WeakPolarHBondContact O-CB 3.3Å; E182-K186 WeakPolarHBondContact O-CG 3.24Å; E182-K186 PolarHBondContact O-N 2.84Å; E182-K186 WeakPolarHBondContact OE1-CE 3.3Å; E182-K186 IonicContact OE1-NZ 3.5Å; E182-K186 PolarHBondContact OE1-NZ 3.25Å; E182-K186 IonicContact OE2-NZ 2.77Å; E182-K186 PolarHBondContact OE2-NZ 2.89Å; I184-K186 VanDerWaalsContact C-N 3.3Å; I184-K186 PolarHBondContact O-N 3.05Å; K186-R190 WeakPolarHBondContact O-CG 3.36Å; K186-R190 PolarHBondContact O-NE 3.18Å
187A89.6Confident87.7Confident0 Ų049.1 Ų49.10%024%0.237CC..Hα-helixtrans-77.6-41.9-179.600000112L145 I171 V173 S183 I184 S185 R190L145-A187 HydrophobicContact CD2-CB 4.42Å; I171-A187 HydrophobicContact CG2-CB 3.93Å; V173-A187 HydrophobicContact CG2-CB 3.58Å; S183-A187 VanDerWaalsContact O-CB 3.24Å; S183-A187 WeakPolarHBondContact O-CB 3.44Å; S183-A187 PolarHBondContact O-N 3.38Å; I184-A187 CarbonylContact O-C 3.51Å; I184-A187 WeakPolarHBondContact O-CA 3.48Å; I184-A187 WeakPolarHBondContact O-CB 3.48Å; I184-A187 PolarHBondContact O-N 3.41Å; S185-A187 VanDerWaalsContact C-N 3.26Å; S185-A187 PolarHBondContact O-N 3.42Å; A187-R190 WeakPolarHBondContact O-CB 3.1Å; A187-R190 WeakPolarHBondContact O-CG 3.49Å; A187-R190 PolarHBondContact O-N 3.3Å
188V89Confident88Confident6 Ų648.8 Ų48.84%0.03624%0.239CC..Hα-helixtrans-64.3-43.2177.6174.70000110.8I73 L80 V143 I184 S185 R190I73-V188 HydrophobicContact CB-CG1 4Å; I73-V188 HydrophobicContact CG2-CG1 3.45Å; I73-V188 VanDerWaalsContact CG2-CG1 3.45Å; L80-V188 HydrophobicContact CD1-CG2 4.06Å; L80-V188 HydrophobicContact CD2-CG2 3.6Å; V143-V188 HydrophobicContact CG1-CG2 4.39Å; I184-V188 HydrophobicContact CG2-CG2 4.2Å; I184-V188 WeakPolarHBondContact O-CG2 3.46Å; I184-V188 PolarHBondContact O-N 3.31Å; S185-V188 PolarHBondContact O-N 2.95Å; V188-R190 PolarHBondContact O-N 3.39Å; V188-R190 VanDerWaalsContact O-N 3.13Å
189S87.6Confident88.4Confident4 Ų445.5 Ų45.53%0.02822%0.218CC..THydrogen-bonded Turntrans-755.5178.8-63.20000114.7R71 I73 S185R71-S189 VanDerWaalsContact CB-OG 3.3Å; R71-S189 WeakPolarHBondContact CB-OG 3.27Å; R71-S189 WeakPolarHBondContact CD-OG 3.46Å; R71-S189 VanDerWaalsContact CG-OG 3.3Å; R71-S189 WeakPolarHBondContact CG-OG 3.42Å; I73-S189 PolarHBondContact O-OG 2.92Å; S185-S189 WeakPolarHBondContact O-CB 3.21Å; S185-S189 PolarHBondContact O-N 2.91Å; S185-S189 PolarHBondContact O-OG 3.49Å
190R90.5Very high88.7Confident56 Ų5642.6 Ų42.621%0.21121%0.207CC..EExtended strand (participates in β ladder)trans-78.6130.4179.4-61.7-167.3179.1123.311.7111.4V66 N67 K186 A187 V188 R192V66-R190 VanDerWaalsContact O-CA 3.29Å; V66-R190 WeakPolarHBondContact O-CA 3.28Å; N67-R190 VanDerWaalsContact OD1-CD 3.26Å; N67-R190 WeakPolarHBondContact OD1-CD 3.06Å; N67-R190 VanDerWaalsContact OD1-CG 3.31Å; N67-R190 WeakPolarHBondContact OD1-CG 3.4Å; N67-R190 PolarHBondContact OD1-NE 3.18Å; K186-R190 WeakPolarHBondContact O-CG 3.36Å; K186-R190 PolarHBondContact O-NE 3.18Å; A187-R190 WeakPolarHBondContact O-CB 3.1Å; A187-R190 WeakPolarHBondContact O-CG 3.49Å; A187-R190 PolarHBondContact O-N 3.3Å; V188-R190 PolarHBondContact O-N 3.39Å; V188-R190 VanDerWaalsContact O-N 3.13Å; R190-R192 HydrophobicContact CB-CG 4.27Å; R190-R192 PolarHBondContact O-N 3.23Å
191V91.4Very high88.9Confident7 Ų748.3 Ų48.34%0.04223%0.231CC..EExtended strand (participates in β ladder)trans-77.7122.3165.1179.80000108.4S65 V66 V68 F72 F204 I205 V223S65-V191 CarbonylContact C-O 3.59Å; S65-V191 WeakPolarHBondContact CA-O 3.48Å; V66-V191 PolarHBondContact N-O 3.09Å; V66-V191 PolarHBondContact O-N 3.32Å; V68-V191 HydrophobicContact CG2-CB 4.13Å; V68-V191 HydrophobicContact CG2-CG2 3.41Å; V68-V191 VanDerWaalsContact CG2-CG2 3.41Å; F72-V191 HydrophobicContact CE1-CG2 3.89Å; F72-V191 HydrophobicContact CZ-CG2 4.19Å; V191-F204 HydrophobicContact CG1-CB 3.73Å; V191-F204 HydrophobicContact CG1-CD2 3.94Å; V191-F204 HydrophobicContact CG1-CG 4.13Å; V191-I205 WeakPolarHBondContact CG2-O 3.29Å; V191-V223 HydrophobicContact CB-CG2 4.02Å; V191-V223 HydrophobicContact CG1-CG1 4.4Å; V191-V223 HydrophobicContact CG1-CG2 4.02Å; V191-V223 HydrophobicContact CG2-CG2 4.16Å
192R90.2Very high89.1Confident54 Ų5444.5 Ų44.520%0.20421%0.213CC..EExtended strand (participates in β ladder)trans-121.9127.6-176.8-67.3-179.965.2-163.64.1111V63 I64 L169 P170 R190V63-R192 HydrophobicContact CG1-CB 4.42Å; I64-R192 CarbonylContact O-C 3.59Å; I64-R192 WeakPolarHBondContact O-CA 3.35Å; L169-R192 PolarHBondContact O-NH1 3.35Å; P170-R192 PolarHBondContact O-NH1 2.87Å; P170-R192 VanDerWaalsContact O-NH1 3.17Å; P170-R192 PolarHBondContact O-NH2 2.8Å; R190-R192 HydrophobicContact CB-CG 4.27Å; R190-R192 PolarHBondContact O-N 3.23Å
193V90Very high89.3Confident6 Ų643.7 Ų43.74%0.03621%0.209CC..EExtended strand (participates in β ladder)trans-116.4118169.9-178.50000108.4I64 Y202 F204 W227I64-V193 PolarHBondContact N-O 3.36Å; I64-V193 PolarHBondContact O-N 2.81Å; V193-Y202 HydrophobicContact CG1-CD1 3.46Å; V193-Y202 VanDerWaalsContact CG1-CD1 3.46Å; V193-Y202 HydrophobicContact CG1-CE1 4.26Å; V193-Y202 HydrophobicContact CG1-CG 3.87Å; V193-F204 HydrophobicContact CG2-CB 3.76Å; V193-F204 HydrophobicContact CG2-CD1 4.17Å; V193-F204 HydrophobicContact CG2-CG 4.32Å; V193-W227 HydrophobicContact CB-CZ3 4.41Å; V193-W227 HydrophobicContact CG1-CH2 4.47Å; V193-W227 HydrophobicContact CG1-CZ3 4.04Å; V193-W227 HydrophobicContact CG2-CZ3 4.2Å
194T88Confident89.5Confident43 Ų4343.3 Ų43.326%0.26421%0.206SC..EExtended strand (participates in β ladder)trans-98.2121.4177.1-59.50000109.5V63 L169 T196 Y202V63-T194 HydrophobicContact CG2-CG2 4.15Å; L169-T194 HydrophobicContact CD1-CG2 4.34Å; T194-T196 PolarHBondContact O-N 3.4Å; T194-Y202 WeakPolarHBondContact O-CE1 3.26Å
195M88.3Confident89.5Confident4 Ų445.9 Ų45.92%0.0222%0.219CC..  trans-73.9109.7177.6-59.5-174.874.400110.1P56 F59 G61 T62 I64 F231 P232P56-M195 HydrophobicContact CB-CE 3.68Å; P56-M195 HydrophobicContact CG-CE 3.2Å; F59-M195 HydrophobicContact CB-CE 3.68Å; F59-M195 HydrophobicContact CB-SD 3.78Å; G61-M195 PolarHBondContact N-O 3.28Å; T62-M195 WeakPolarHBondContact O-CB 3.37Å; T62-M195 WeakPolarHBondContact O-CG 3.47Å; T62-M195 PolarHBondContact O-N 3.07Å; I64-M195 HydrophobicContact CD1-SD 4.29Å; M195-F231 HydrophobicContact CE-CE1 4.29Å; M195-F231 HydrophobicContact CE-CE2 3.87Å; M195-F231 HydrophobicContact CE-CZ 3.67Å; M195-F231 HydrophobicContact CG-CE2 4.3Å; M195-F231 HydrophobicContact SD-CE2 4.21Å; M195-P232 HydrophobicContact CE-CG 3.7Å
196T86.1Confident89.7Confident64 Ų6445.2 Ų45.239%0.39321%0.214SC..  trans-93.6162.3-18050.90000111T194 F198 A199T194-T196 PolarHBondContact O-N 3.4Å; T196-F198 PolarHBondContact O-N 2.68Å; T196-A199 WeakPolarHBondContact OG1-CB 3.35Å
197K84.3Confident89.8Confident144 Ų14441.8 Ų41.863%0.62620%0.2SC*.THydrogen-bonded Turntrans-70129.1176.3-159.3-170.4-175.8-166.40108.5V60 A199V60-K197 HydrophobicContact CG1-CB 3.96Å; V60-K197 HydrophobicContact CG1-CG 4.48Å; V60-K197 HydrophobicContact CG2-CB 4.17Å; V60-K197 HydrophobicContact CG2-CG 4.18Å; K197-A199 VanDerWaalsContact C-N 3.3Å; K197-A199 PolarHBondContact O-N 3.18Å
198F86Confident89.8Confident132 Ų13242.7 Ų42.758%0.57920%0.204SC*.THydrogen-bonded Turntrans6521.2175.6-48.7-61.5000116.4T196T196-F198 PolarHBondContact O-N 2.68Å
199A88.3Confident89.8Confident17 Ų1744 Ų4414%0.1421%0.211CC..  trans-93.1127.117300000112.1T196 K197 Y202T196-A199 WeakPolarHBondContact OG1-CB 3.35Å; K197-A199 VanDerWaalsContact C-N 3.3Å; K197-A199 PolarHBondContact O-N 3.18Å; A199-Y202 HydrophobicContact CB-CE1 4.39Å; A199-Y202 PolarHBondContact O-OH 3.35Å
200D91Very high89.8Confident70 Ų7049.9 Ų49.937%0.37424%0.242SC..  trans-96.8-13.7169.964.5-36.1000112.4N51 L52 I55N51-D200 CarbonylContact C-O 3.58Å; L52-D200 WeakPolarHBondContact CB-O 3.31Å; L52-D200 WeakPolarHBondContact CG-O 3.21Å; L52-D200 PolarHBondContact N-O 3.35Å; I55-D200 HydrophobicContact CD1-CB 4.46Å; I55-D200 HydrophobicContact CG1-CB 4.03Å
201K92.4Very high89.7Confident124 Ų12448.1 Ų48.154%0.53924%0.236SC..EExtended strand (participates in β ladder)trans-121.3135.3-179-51.7-176.7-170.5173.80111.5V50 N51V50-K201 CarbonylContact O-C 3.54Å; V50-K201 WeakPolarHBondContact O-CA 3.22Å; N51-K201 WeakPolarHBondContact OD1-CD 3.37Å; N51-K201 VanDerWaalsContact OD1-CG 3.26Å; N51-K201 WeakPolarHBondContact OD1-CG 3.37Å
202Y93.3Very high89.8Confident12 Ų1250.2 Ų50.25%0.04725%0.251CS..EExtended strand (participates in β ladder)trans-127.5135.5176.8-67.9-79.6000110.2T49 V50 L52 V193 T194 A199 W227 F231T49-Y202 CarbonylContact C-O 3.49Å; T49-Y202 WeakPolarHBondContact CA-O 3.48Å; V50-Y202 PolarHBondContact N-O 3.39Å; V50-Y202 PolarHBondContact O-N 3.5Å; L52-Y202 HydrophobicContact CD1-CD2 3.85Å; L52-Y202 HydrophobicContact CD1-CE2 3.48Å; L52-Y202 VanDerWaalsContact CD1-CE2 3.48Å; L52-Y202 HydrophobicContact CG-CD2 4.22Å; L52-Y202 HydrophobicContact CG-CE2 4.3Å; V193-Y202 HydrophobicContact CG1-CD1 3.46Å; V193-Y202 VanDerWaalsContact CG1-CD1 3.46Å; V193-Y202 HydrophobicContact CG1-CE1 4.26Å; V193-Y202 HydrophobicContact CG1-CG 3.87Å; T194-Y202 WeakPolarHBondContact O-CE1 3.26Å; A199-Y202 HydrophobicContact CB-CE1 4.39Å; A199-Y202 PolarHBondContact O-OH 3.35Å; Y202-W227 HydrophobicContact CD2-CH2 4.12Å; Y202-W227 HydrophobicContact CG-CH2 4.16Å; Y202-F231 HydrophobicContact CD2-CE2 4.48Å; Y202-F231 HydrophobicContact CD2-CZ 4.26Å; Y202-F231 HydrophobicContact CE2-CE2 4.41Å; Y202-F231 AromaticContact CE2-CZ 3.95Å; Y202-F231 HydrophobicContact CE2-CZ 3.95Å
203H92.1Very high90Very high73 Ų7349.2 Ų49.234%0.33825%0.251SS..EExtended strand (participates in β ladder)trans-117.3135.2175.9178.459.6000109.5A48 T49 H244A48-H203 WeakPolarHBondContact O-CA 3.33Å; A48-H203 PolarHBondContact O-ND1 2.71Å; T49-H203 PolarHBondContact OG1-ND1 3.14Å; H203-H244 AromaticContact CE1-CE1 3.16Å; H203-H244 PolarHBondContact CE1-CE1 2.9Å; H203-H244 AromaticContact CE1-NE2 3.34Å; H203-H244 PolarHBondContact CE1-NE2 3.39Å; H203-H244 VanDerWaalsContact CE1-NE2 3.34Å; H203-H244 AromaticContact ND1-CE1 3.48Å; H203-H244 PolarHBondContact ND1-CE1 3Å; H203-H244 AromaticContact ND1-NE2 3.23Å; H203-H244 PolarHBondContact ND1-NE2 3.1Å; H203-H244 AromaticContact NE2-CE1 3.99Å
204F92.9Very high90.3Very high5 Ų553.2 Ų53.22%0.02227%0.273CS..EExtended strand (participates in β ladder)trans-138.1145.7172.364.4-97.5000110.7G47 A48 V50 V191 V193 F206 F220 V223 M224G47-F204 CarbonylContact C-O 3.47Å; G47-F204 WeakPolarHBondContact CA-O 3.38Å; A48-F204 HydrophobicContact CB-CD2 4.48Å; A48-F204 HydrophobicContact CB-CE1 4.06Å; A48-F204 HydrophobicContact CB-CE2 3.87Å; A48-F204 HydrophobicContact CB-CZ 3.65Å; A48-F204 PolarHBondContact N-O 2.89Å; A48-F204 PolarHBondContact O-N 3.01Å; V50-F204 HydrophobicContact CG2-CD1 4.16Å; V50-F204 HydrophobicContact CG2-CE1 3.55Å; V191-F204 HydrophobicContact CG1-CB 3.73Å; V191-F204 HydrophobicContact CG1-CD2 3.94Å; V191-F204 HydrophobicContact CG1-CG 4.13Å; V193-F204 HydrophobicContact CG2-CB 3.76Å; V193-F204 HydrophobicContact CG2-CD1 4.17Å; V193-F204 HydrophobicContact CG2-CG 4.32Å; F204-F206 HydrophobicContact CD2-CB 4.26Å; F204-F206 HydrophobicContact CD2-CD1 4.2Å; F204-F206 HydrophobicContact CE2-CB 4.21Å; F204-F206 AromaticContact CE2-CD1 3.84Å; F204-F206 HydrophobicContact CE2-CD1 3.84Å; F204-F206 HydrophobicContact CE2-CG 4.42Å; F204-F220 HydrophobicContact CE2-CD2 4.37Å; F204-F220 HydrophobicContact CZ-CD2 4.38Å; F204-F220 HydrophobicContact CZ-CE2 4.17Å; F204-V223 HydrophobicContact CD1-CG1 4.46Å; F204-V223 HydrophobicContact CD2-CG1 3.91Å; F204-V223 HydrophobicContact CE1-CG1 4.1Å; F204-V223 HydrophobicContact CE2-CB 4.11Å; F204-V223 HydrophobicContact CE2-CG1 3.53Å; F204-V223 HydrophobicContact CE2-CG2 4.45Å; F204-V223 HydrophobicContact CG-CG1 4.37Å; F204-V223 HydrophobicContact CZ-CB 4.44Å; F204-V223 HydrophobicContact CZ-CG1 3.62Å; F204-M224 HydrophobicContact CZ-SD 4.16Å
205I91.9Very high90.6Very high57 Ų5754.3 Ų54.329%0.29228%0.275SS..EExtended strand (participates in β ladder)trans-96.3133.6174.9-60.4172000106.6K45 I46 F72 V191K45-I205 HydrophobicContact CB-CD1 4.29Å; K45-I205 HydrophobicContact CB-CG2 4.01Å; K45-I205 HydrophobicContact CD-CD1 3.95Å; I46-I205 WeakPolarHBondContact O-CG2 3.34Å; F72-I205 HydrophobicContact CD2-CG2 4.39Å; F72-I205 HydrophobicContact CE2-CB 4.5Å; F72-I205 HydrophobicContact CE2-CG2 3.71Å; F72-I205 HydrophobicContact CZ-CG2 4.17Å; V191-I205 WeakPolarHBondContact CG2-O 3.29Å
206F92.8Very high90.9Very high0 Ų054.1 Ų54.10%027%0.274CS..EExtended strand (participates in β ladder)trans-123.4-2.4-179.363-95.1000113.5V19 I46 G47 A48 F204 L216 N219 F220 I243V19-F206 HydrophobicContact CG2-CZ 4.49Å; I46-F206 HydrophobicContact CG2-CE1 4.16Å; I46-F206 HydrophobicContact CG2-CE2 4.05Å; I46-F206 HydrophobicContact CG2-CZ 3.63Å; I46-F206 PolarHBondContact O-N 2.94Å; G47-F206 VanDerWaalsContact C-CE1 3.44Å; A48-F206 HydrophobicContact CB-CD1 4.24Å; A48-F206 HydrophobicContact CB-CE1 3.97Å; F204-F206 HydrophobicContact CD2-CB 4.26Å; F204-F206 HydrophobicContact CD2-CD1 4.2Å; F204-F206 HydrophobicContact CE2-CB 4.21Å; F204-F206 AromaticContact CE2-CD1 3.84Å; F204-F206 HydrophobicContact CE2-CD1 3.84Å; F204-F206 HydrophobicContact CE2-CG 4.42Å; F206-L216 HydrophobicContact CD2-CD2 4.37Å; F206-L216 WeakPolarHBondContact CD2-O 3.48Å; F206-L216 HydrophobicContact CE2-CB 4.2Å; F206-L216 HydrophobicContact CE2-CD2 4.33Å; F206-N219 HydrophobicContact CD2-CB 4.48Å; F206-N219 WeakPolarHBondContact O-CB 2.9Å; F206-N219 PolarHBondContact O-ND2 3.28Å; F206-N219 VanDerWaalsContact O-ND2 3.08Å; F206-F220 HydrophobicContact CD1-CD2 4.14Å; F206-F220 HydrophobicContact CD2-CB 4.11Å; F206-F220 AromaticContact CE1-CD2 3.99Å; F206-F220 HydrophobicContact CE1-CD2 3.99Å; F206-F220 HydrophobicContact CE2-CB 4.16Å; F206-F220 HydrophobicContact CG-CB 4.47Å; F206-F220 HydrophobicContact CZ-CD2 4.24Å; F206-I243 HydrophobicContact CE1-CG2 4.42Å; F206-I243 HydrophobicContact CZ-CG2 4.13Å
207G91.2Very high91.3Very high0 Ų052.3 Ų52.30%026%0.262CS..EExtended strand (participates in β ladder)trans-178.4-175172.700000114.1I46 Q211I46-G207 PolarHBondContact N-O 3.48Å; I46-G207 PolarHBondContact O-N 2.98Å; G207-Q211 VanDerWaalsContact CA-OE1 3.28Å
208N89.1Confident91.9Very high18 Ų1846.8 Ų46.810%0.09624%0.243CC..EExtended strand (participates in β ladder)trans-119.3160.3178.6-74.1-1.8000110.2V43 F72 N210 Q211V43-N208 HydrophobicContact CG1-CB 3.74Å; F72-N208 HydrophobicContact CB-CB 4.49Å; F72-N208 PolarHBondContact O-ND2 3.16Å; N208-N210 PolarHBondContact O-N 3.25Å; N208-Q211 PolarHBondContact O-N 3.49Å
209N87.5Confident92.3Very high34 Ų3440.5 Ų40.518%0.18222%0.215CC..THydrogen-bonded Turntrans-59.4-27.6178-168.839.8000113.8K23 L26 A44 Q211K23-N209 VanDerWaalsContact CE-O 3.27Å; K23-N209 WeakPolarHBondContact CE-O 3.37Å; K23-N209 PolarHBondContact NZ-O 3.41Å; L26-N209 HydrophobicContact CD1-CB 4.31Å; A44-N209 HydrophobicContact CB-CB 4.2Å; A44-N209 PolarHBondContact O-N 3.24Å; N209-Q211 VanDerWaalsContact C-N 3.26Å; N209-Q211 PolarHBondContact O-N 2.78Å
210N87.6Confident92.6Very high128 Ų12839.7 Ų39.768%0.68421%0.209SC*.THydrogen-bonded Turntrans-69.1-20.9-179.6-640.4000113.5V43 N208V43-N210 HydrophobicContact CG1-CB 4.43Å; N208-N210 PolarHBondContact O-N 3.25Å
211Q89.5Confident92.8Very high18 Ų1839.5 Ų39.58%0.08421%0.205CC..SBendtrans-77.8152.9-179.7-70.8-177.4-43.300112K23 H70 R71 G207 N208 N209 E215 L216K23-Q211 PolarHBondContact NZ-O 3.49Å; H70-Q211 PolarHBondContact O-NE2 2.74Å; R71-Q211 PolarHBondContact O-NE2 2.95Å; R71-Q211 VanDerWaalsContact O-NE2 3.09Å; G207-Q211 VanDerWaalsContact CA-OE1 3.28Å; N208-Q211 PolarHBondContact O-N 3.49Å; N209-Q211 VanDerWaalsContact C-N 3.26Å; N209-Q211 PolarHBondContact O-N 2.78Å; Q211-E215 WeakPolarHBondContact CA-OE2 3.26Å; Q211-E215 HydrophobicContact CB-CB 4.39Å; Q211-E215 WeakPolarHBondContact CB-OE2 3.4Å; Q211-L216 HydrophobicContact CB-CD2 4.05Å; Q211-L216 HydrophobicContact CB-CG 4.06Å
212S93.9Very high92.9Very high51 Ų5134.6 Ų34.636%0.35719%0.188SC..  trans-67.3160177.788.80000111.4D214 E215 L216S212-D214 PolarHBondContact O-N 2.77Å; S212-D214 PolarHBondContact OG-N 2.92Å; S212-E215 PolarHBondContact N-OE2 3.35Å; S212-E215 PolarHBondContact O-N 2.91Å; S212-E215 VanDerWaalsContact OG-CG 3.25Å; S212-E215 WeakPolarHBondContact OG-CG 3.37Å; S212-E215 PolarHBondContact OG-N 3.4Å; S212-E215 VanDerWaalsContact OG-N 3.14Å; S212-L216 VanDerWaalsContact O-CG 3.3Å; S212-L216 WeakPolarHBondContact O-CG 3.4Å; S212-L216 PolarHBondContact O-N 2.87Å; S212-L216 VanDerWaalsContact O-N 3.08Å
213V94.6Very high92.9Very high34 Ų3434.2 Ų34.221%0.20619%0.187CC..Hα-helixtrans-61.8-37.9178.3176.40000110.9R16 V19 K23 L216 L217R16-V213 HydrophobicContact CG-CG1 4.01Å; V19-V213 HydrophobicContact CB-CG1 4.45Å; V19-V213 HydrophobicContact CG1-CG1 4.12Å; K23-V213 HydrophobicContact CD-CG2 3.81Å; V213-L216 PolarHBondContact O-N 2.77Å; V213-L217 WeakPolarHBondContact O-CB 3.41Å; V213-L217 PolarHBondContact O-N 2.9Å
214D95.4Very high92.9Very high90 Ų9030.8 Ų30.848%0.48117%0.171SC..Hα-helixtrans-72.2-36.7-177.8-57.7-36.5000111.2R16 S212 L217 A218R16-D214 IonicContact CZ-OD1 3.64Å; R16-D214 IonicContact NE-OD1 2.78Å; R16-D214 IonicContact NH2-OD1 2.73Å; R16-D214 PolarHBondContact NH2-OD1 2.93Å; R16-D214 VanDerWaalsContact NH2-OD1 3.11Å; S212-D214 PolarHBondContact O-N 2.77Å; S212-D214 PolarHBondContact OG-N 2.92Å; D214-L217 PolarHBondContact O-N 3.48Å; D214-A218 PolarHBondContact O-N 3.08Å
215E95.2Very high92.9Very high65 Ų6536.4 Ų36.430%0.30420%0.197SC..Hα-helixtrans-63-44.7172.6-70.7176.1158.700112H70 Q211 S212 L217 A218 N219H70-E215 HydrophobicContact CB-CB 4.1Å; H70-E215 HydrophobicContact CB-CG 4.36Å; H70-E215 IonicContact ND1-OE1 3.11Å; Q211-E215 WeakPolarHBondContact CA-OE2 3.26Å; Q211-E215 HydrophobicContact CB-CB 4.39Å; Q211-E215 WeakPolarHBondContact CB-OE2 3.4Å; S212-E215 PolarHBondContact N-OE2 3.35Å; S212-E215 PolarHBondContact O-N 2.91Å; S212-E215 VanDerWaalsContact OG-CG 3.25Å; S212-E215 WeakPolarHBondContact OG-CG 3.37Å; S212-E215 PolarHBondContact OG-N 3.4Å; S212-E215 VanDerWaalsContact OG-N 3.14Å; E215-L217 VanDerWaalsContact C-N 3.28Å; E215-L217 PolarHBondContact O-N 2.86Å; E215-A218 PolarHBondContact O-N 2.85Å; E215-N219 WeakPolarHBondContact O-CB 3.35Å; E215-N219 PolarHBondContact O-N 2.87Å; E215-N219 PolarHBondContact O-OD1 3.27Å
216L94.1Very high92.9Very high0 Ų038 Ų380%020%0.202CC..Hα-helixtrans-61.8-38.4176.9-72.1175000111.7V19 K23 I46 F206 Q211 S212 V213 N219 F220V19-L216 HydrophobicContact CG1-CB 4.05Å; V19-L216 HydrophobicContact CG1-CD1 3.62Å; K23-L216 HydrophobicContact CD-CD1 4.07Å; I46-L216 HydrophobicContact CD1-CD1 3.71Å; F206-L216 HydrophobicContact CD2-CD2 4.37Å; F206-L216 WeakPolarHBondContact CD2-O 3.48Å; F206-L216 HydrophobicContact CE2-CB 4.2Å; F206-L216 HydrophobicContact CE2-CD2 4.33Å; Q211-L216 HydrophobicContact CB-CD2 4.05Å; Q211-L216 HydrophobicContact CB-CG 4.06Å; S212-L216 VanDerWaalsContact O-CG 3.3Å; S212-L216 WeakPolarHBondContact O-CG 3.4Å; S212-L216 PolarHBondContact O-N 2.87Å; S212-L216 VanDerWaalsContact O-N 3.08Å; V213-L216 PolarHBondContact O-N 2.77Å; L216-N219 PolarHBondContact O-N 3.45Å; L216-F220 WeakPolarHBondContact O-CB 3.44Å; L216-F220 PolarHBondContact O-N 3.39Å
217L95.3Very high92.7Very high27 Ų2738.2 Ų38.214%0.14120%0.203CC..Hα-helixtrans-68-47.6177.3-175.9144.2000111.2R16 V213 D214 E215 N219 F220 E221R16-L217 HydrophobicContact CB-CD1 3.64Å; R16-L217 HydrophobicContact CG-CD1 3.99Å; V213-L217 WeakPolarHBondContact O-CB 3.41Å; V213-L217 PolarHBondContact O-N 2.9Å; D214-L217 PolarHBondContact O-N 3.48Å; E215-L217 VanDerWaalsContact C-N 3.28Å; E215-L217 PolarHBondContact O-N 2.86Å; L217-N219 PolarHBondContact O-N 2.89Å; L217-F220 PolarHBondContact O-N 2.98Å; L217-F220 VanDerWaalsContact O-N 3.1Å; L217-E221 HydrophobicContact CD2-CG 4.21Å; L217-E221 WeakPolarHBondContact CD2-OE1 3.34Å; L217-E221 WeakPolarHBondContact O-CG 3.48Å; L217-E221 PolarHBondContact O-N 3.48Å
218A95.5Very high92.6Very high28 Ų2842 Ų4223%0.23122%0.219CC..Hα-helixtrans-58.1-38.217500000112.1P69 D214 E215 A222P69-A218 HydrophobicContact CG-CB 4.27Å; D214-A218 PolarHBondContact O-N 3.08Å; E215-A218 PolarHBondContact O-N 2.85Å; A218-A222 PolarHBondContact O-N 2.96Å; A218-A222 VanDerWaalsContact O-N 3.11Å
219N95Very high92.5Very high0 Ų044.4 Ų44.40%025%0.248CC..Hα-helixtrans-64.7-46174.9-70.7-5.9000112.3V68 P69 H70 F206 E215 L216 L217 A222 V223V68-N219 HydrophobicContact CG1-CB 3.43Å; V68-N219 VanDerWaalsContact CG1-CB 3.43Å; V68-N219 WeakPolarHBondContact CG1-ND2 3.18Å; V68-N219 WeakPolarHBondContact CG1-OD1 3.41Å; P69-N219 WeakPolarHBondContact CG-OD1 3.25Å; H70-N219 WeakPolarHBondContact CB-OD1 3.35Å; H70-N219 PolarHBondContact CD2-OD1 3.08Å; H70-N219 PolarHBondContact N-OD1 2.91Å; H70-N219 PolarHBondContact O-ND2 3.44Å; H70-N219 PolarHBondContact O-OD1 3.45Å; F206-N219 HydrophobicContact CD2-CB 4.48Å; F206-N219 WeakPolarHBondContact O-CB 2.9Å; F206-N219 PolarHBondContact O-ND2 3.28Å; F206-N219 VanDerWaalsContact O-ND2 3.08Å; E215-N219 WeakPolarHBondContact O-CB 3.35Å; E215-N219 PolarHBondContact O-N 2.87Å; E215-N219 PolarHBondContact O-OD1 3.27Å; L216-N219 PolarHBondContact O-N 3.45Å; L217-N219 PolarHBondContact O-N 2.89Å; N219-A222 PolarHBondContact O-N 2.93Å; N219-V223 WeakPolarHBondContact O-CG2 3.44Å; N219-V223 PolarHBondContact O-N 3.38Å; N219-V223 VanDerWaalsContact O-N 3.17Å
220F94.7Very high92.4Very high0 Ų048.7 Ų48.70%027%0.266CS..Hα-helixtrans-62.7-44.7178179.7-97.1000111.6I10 V15 A48 F204 F206 L216 L217 A222 V223 M224 L241I10-F220 HydrophobicContact CG2-CE1 4.48Å; V15-F220 HydrophobicContact CG1-CD1 3.77Å; V15-F220 HydrophobicContact CG1-CE1 4.04Å; V15-F220 HydrophobicContact CG1-CG 4.25Å; V15-F220 HydrophobicContact CG2-CD1 4.12Å; V15-F220 HydrophobicContact CG2-CE1 3.64Å; V15-F220 HydrophobicContact CG2-CZ 4.36Å; A48-F220 HydrophobicContact CB-CE2 4.01Å; F204-F220 HydrophobicContact CE2-CD2 4.37Å; F204-F220 HydrophobicContact CZ-CD2 4.38Å; F204-F220 HydrophobicContact CZ-CE2 4.17Å; F206-F220 HydrophobicContact CD1-CD2 4.14Å; F206-F220 HydrophobicContact CD2-CB 4.11Å; F206-F220 AromaticContact CE1-CD2 3.99Å; F206-F220 HydrophobicContact CE1-CD2 3.99Å; F206-F220 HydrophobicContact CE2-CB 4.16Å; F206-F220 HydrophobicContact CG-CB 4.47Å; F206-F220 HydrophobicContact CZ-CD2 4.24Å; L216-F220 WeakPolarHBondContact O-CB 3.44Å; L216-F220 PolarHBondContact O-N 3.39Å; L217-F220 PolarHBondContact O-N 2.98Å; L217-F220 VanDerWaalsContact O-N 3.1Å; F220-A222 PolarHBondContact O-N 3.45Å; F220-V223 PolarHBondContact O-N 3.42Å; F220-M224 HydrophobicContact CD1-CG 4.02Å; F220-M224 HydrophobicContact CD2-CG 4.44Å; F220-M224 HydrophobicContact CE1-CG 3.56Å; F220-M224 HydrophobicContact CE2-CG 4.02Å; F220-M224 HydrophobicContact CE2-SD 4.23Å; F220-M224 HydrophobicContact CG-CG 4.44Å; F220-M224 HydrophobicContact CZ-CG 3.56Å; F220-M224 HydrophobicContact CZ-SD 4.03Å; F220-M224 WeakPolarHBondContact O-CG 3.25Å; F220-M224 PolarHBondContact O-N 3.14Å; F220-L241 HydrophobicContact CZ-CD1 4.39Å
221E94.4Very high92.3Very high66 Ų6642.9 Ų42.931%0.30823%0.234SC..Hα-helixtrans-56.7-48.9176.2-75.4-177.2171.600112Y12 L217 V223 M224 E225Y12-E221 HydrophobicContact CD1-CG 3.73Å; Y12-E221 HydrophobicContact CE1-CB 4.49Å; Y12-E221 HydrophobicContact CE1-CG 3.53Å; Y12-E221 HydrophobicContact CG-CG 4.46Å; L217-E221 HydrophobicContact CD2-CG 4.21Å; L217-E221 WeakPolarHBondContact CD2-OE1 3.34Å; L217-E221 WeakPolarHBondContact O-CG 3.48Å; L217-E221 PolarHBondContact O-N 3.48Å; E221-V223 VanDerWaalsContact C-N 3.28Å; E221-V223 PolarHBondContact O-N 2.78Å; E221-M224 PolarHBondContact O-N 3.47Å; E221-M224 VanDerWaalsContact O-N 3.17Å; E221-E225 WeakPolarHBondContact O-CB 3.3Å; E221-E225 PolarHBondContact O-N 3.5Å
222A93.9Very high92Very high20 Ų2042.6 Ų42.617%0.16523%0.234CC..Hα-helixtrans-59.9-38.7178.200000112.4P69 A218 N219 F220 K226P69-A222 HydrophobicContact CG-CB 4.48Å; A218-A222 PolarHBondContact O-N 2.96Å; A218-A222 VanDerWaalsContact O-N 3.11Å; N219-A222 PolarHBondContact O-N 2.93Å; F220-A222 PolarHBondContact O-N 3.45Å; A222-K226 WeakPolarHBondContact O-CG 3.44Å; A222-K226 PolarHBondContact O-N 2.95Å
223V93.6Very high91.4Very high5 Ų541 Ų413%0.0323%0.226CC..Hα-helixtrans-67.2-46.2175.9176.20000110.8V66 V68 V191 F204 N219 F220 E221 K226 W227V66-V223 HydrophobicContact CB-CG2 4.38Å; V66-V223 HydrophobicContact CG1-CG2 4.27Å; V68-V223 HydrophobicContact CG2-CG2 4.06Å; V191-V223 HydrophobicContact CB-CG2 4.02Å; V191-V223 HydrophobicContact CG1-CG1 4.4Å; V191-V223 HydrophobicContact CG1-CG2 4.02Å; V191-V223 HydrophobicContact CG2-CG2 4.16Å; F204-V223 HydrophobicContact CD1-CG1 4.46Å; F204-V223 HydrophobicContact CD2-CG1 3.91Å; F204-V223 HydrophobicContact CE1-CG1 4.1Å; F204-V223 HydrophobicContact CE2-CB 4.11Å; F204-V223 HydrophobicContact CE2-CG1 3.53Å; F204-V223 HydrophobicContact CE2-CG2 4.45Å; F204-V223 HydrophobicContact CG-CG1 4.37Å; F204-V223 HydrophobicContact CZ-CB 4.44Å; F204-V223 HydrophobicContact CZ-CG1 3.62Å; N219-V223 WeakPolarHBondContact O-CG2 3.44Å; N219-V223 PolarHBondContact O-N 3.38Å; N219-V223 VanDerWaalsContact O-N 3.17Å; F220-V223 PolarHBondContact O-N 3.42Å; E221-V223 VanDerWaalsContact C-N 3.28Å; E221-V223 PolarHBondContact O-N 2.78Å; V223-K226 PolarHBondContact O-N 2.63Å; V223-W227 WeakPolarHBondContact O-CB 3.36Å; V223-W227 PolarHBondContact O-N 3.02Å
224M92.8Very high91Very high0 Ų039.9 Ų39.90%022%0.221CC..Hα-helixtrans-66.5-39.1-179-69.5-47.3-6300112I10 F204 F220 E221 K226 W227 K228 L235 L241I10-M224 HydrophobicContact CD1-CB 4.31Å; I10-M224 HydrophobicContact CD1-CE 3.44Å; I10-M224 VanDerWaalsContact CD1-CE 3.44Å; I10-M224 HydrophobicContact CD1-CG 4.16Å; F204-M224 HydrophobicContact CZ-SD 4.16Å; F220-M224 HydrophobicContact CD1-CG 4.02Å; F220-M224 HydrophobicContact CD2-CG 4.44Å; F220-M224 HydrophobicContact CE1-CG 3.56Å; F220-M224 HydrophobicContact CE2-CG 4.02Å; F220-M224 HydrophobicContact CE2-SD 4.23Å; F220-M224 HydrophobicContact CG-CG 4.44Å; F220-M224 HydrophobicContact CZ-CG 3.56Å; F220-M224 HydrophobicContact CZ-SD 4.03Å; F220-M224 WeakPolarHBondContact O-CG 3.25Å; F220-M224 PolarHBondContact O-N 3.14Å; E221-M224 PolarHBondContact O-N 3.47Å; E221-M224 VanDerWaalsContact O-N 3.17Å; M224-K226 PolarHBondContact O-N 3.39Å; M224-W227 HydrophobicContact CE-CB 4.47Å; M224-W227 HydrophobicContact CE-CG 4.43Å; M224-W227 WeakPolarHBondContact O-CA 3.45Å; M224-W227 WeakPolarHBondContact O-CB 3.12Å; M224-W227 PolarHBondContact O-N 3.09Å; M224-W227 VanDerWaalsContact O-N 3.11Å; M224-K228 WeakPolarHBondContact O-CG 3.05Å; M224-K228 PolarHBondContact O-N 3.38Å; M224-L235 HydrophobicContact CE-CD2 4.05Å; M224-L241 HydrophobicContact CE-CD1 3.86Å; M224-L241 HydrophobicContact CE-CD2 4.28Å
225E92.6Very high90.6Very high124 Ų12436.8 Ų36.858%0.57920%0.204SC*.Hα-helixtrans-59.2-47.3175.2-166.4-162166.200111.7E221 W227 K228 G229E221-E225 WeakPolarHBondContact O-CB 3.3Å; E221-E225 PolarHBondContact O-N 3.5Å; E225-W227 VanDerWaalsContact C-N 3.27Å; E225-W227 PolarHBondContact O-N 2.93Å; E225-K228 PolarHBondContact O-N 2.87Å; E225-G229 PolarHBondContact O-N 2.9Å
226K91.5Very high90.2Very high91 Ų9135.9 Ų35.940%0.39621%0.205SC..Hα-helixtrans-65.8-31.6174.7-67.9-57.1-179.8-1520112.5V66 A222 V223 M224 K230V66-K226 HydrophobicContact CB-CB 4.48Å; V66-K226 HydrophobicContact CB-CG 4.31Å; V66-K226 HydrophobicContact CG1-CB 4.33Å; V66-K226 HydrophobicContact CG1-CG 3.79Å; V66-K226 HydrophobicContact CG2-CB 3.43Å; V66-K226 VanDerWaalsContact CG2-CB 3.43Å; V66-K226 HydrophobicContact CG2-CG 3.74Å; A222-K226 WeakPolarHBondContact O-CG 3.44Å; A222-K226 PolarHBondContact O-N 2.95Å; V223-K226 PolarHBondContact O-N 2.63Å; M224-K226 PolarHBondContact O-N 3.39Å; K226-K230 WeakPolarHBondContact O-CB 3.44Å; K226-K230 PolarHBondContact O-N 2.83Å
227W90.3Very high90Very high3 Ų335.9 Ų35.91%0.01121%0.205CC..Hα-helixtrans-61-49.6172-170.5-76.7000110.9V50 L52 V193 Y202 V223 M224 E225 G229 K230 F231 G234V50-W227 HydrophobicContact CB-CH2 4.17Å; V50-W227 HydrophobicContact CB-CZ2 4.34Å; V50-W227 HydrophobicContact CG1-CH2 4.1Å; V50-W227 HydrophobicContact CG1-CZ2 3.76Å; V50-W227 HydrophobicContact CG2-CH2 4.22Å; V50-W227 HydrophobicContact CG2-CZ3 4.31Å; L52-W227 HydrophobicContact CD2-CZ2 4.02Å; V193-W227 HydrophobicContact CB-CZ3 4.41Å; V193-W227 HydrophobicContact CG1-CH2 4.47Å; V193-W227 HydrophobicContact CG1-CZ3 4.04Å; V193-W227 HydrophobicContact CG2-CZ3 4.2Å; Y202-W227 HydrophobicContact CD2-CH2 4.12Å; Y202-W227 HydrophobicContact CG-CH2 4.16Å; V223-W227 WeakPolarHBondContact O-CB 3.36Å; V223-W227 PolarHBondContact O-N 3.02Å; M224-W227 HydrophobicContact CE-CB 4.47Å; M224-W227 HydrophobicContact CE-CG 4.43Å; M224-W227 WeakPolarHBondContact O-CA 3.45Å; M224-W227 WeakPolarHBondContact O-CB 3.12Å; M224-W227 PolarHBondContact O-N 3.09Å; M224-W227 VanDerWaalsContact O-N 3.11Å; E225-W227 VanDerWaalsContact C-N 3.27Å; E225-W227 PolarHBondContact O-N 2.93Å; W227-G229 PolarHBondContact O-N 2.64Å; W227-K230 PolarHBondContact O-N 3.16Å; W227-F231 HydrophobicContact CD2-CB 4.08Å; W227-F231 AromaticContact CD2-CD2 3.86Å; W227-F231 HydrophobicContact CD2-CD2 3.86Å; W227-F231 HydrophobicContact CD2-CG 4.04Å; W227-F231 AromaticContact CE2-CD1 3.91Å; W227-F231 AromaticContact CE2-CD2 3.44Å; W227-F231 VanDerWaalsContact CE2-CD2 3.44Å; W227-F231 AromaticContact CE2-CG 3.43Å; W227-F231 VanDerWaalsContact CE2-CG 3.43Å; W227-F231 HydrophobicContact CE3-CD2 4.06Å; W227-F231 HydrophobicContact CG-CB 4.02Å; W227-F231 HydrophobicContact CG-CG 4.46Å; W227-F231 AromaticContact CH2-CD2 3.49Å; W227-F231 HydrophobicContact CH2-CD2 3.49Å; W227-F231 VanDerWaalsContact CH2-CD2 3.49Å; W227-F231 AromaticContact CH2-CE2 3.31Å; W227-F231 HydrophobicContact CH2-CE2 3.31Å; W227-F231 HydrophobicContact CH2-CG 4.28Å; W227-F231 AromaticContact CH2-CZ 3.94Å; W227-F231 HydrophobicContact CH2-CZ 3.94Å; W227-F231 HydrophobicContact CZ2-CB 4.44Å; W227-F231 AromaticContact CZ2-CD1 3.83Å; W227-F231 HydrophobicContact CZ2-CD1 3.83Å; W227-F231 AromaticContact CZ2-CD2 3.23Å; W227-F231 HydrophobicContact CZ2-CD2 3.23Å; W227-F231 AromaticContact CZ2-CE1 3.84Å; W227-F231 HydrophobicContact CZ2-CE1 3.84Å; W227-F231 AromaticContact CZ2-CE2 3.29Å; W227-F231 HydrophobicContact CZ2-CE2 3.29Å; W227-F231 AromaticContact CZ2-CG 3.56Å; W227-F231 HydrophobicContact CZ2-CG 3.56Å; W227-F231 AromaticContact CZ2-CZ 3.61Å; W227-F231 HydrophobicContact CZ2-CZ 3.61Å; W227-F231 AromaticContact CZ3-CD2 3.9Å; W227-F231 HydrophobicContact CZ3-CD2 3.9Å; W227-F231 HydrophobicContact CZ3-CE2 4.04Å; W227-F231 AromaticContact NE1-CD1 3.83Å; W227-F231 AromaticContact NE1-CG 3.55Å; W227-F231 WeakPolarHBondContact O-CB 3.48Å; W227-F231 PolarHBondContact O-N 3.13Å; W227-G234 PolarHBondContact NE1-O 3.25Å
228K88.8Confident89.9Confident79 Ų7934.7 Ų34.734%0.34320%0.199SC..Hα-helixtrans-54.6-42.1179.7-44.5-164.6-175.6-178.90111.8M224 E225 G234 L235M224-K228 WeakPolarHBondContact O-CG 3.05Å; M224-K228 PolarHBondContact O-N 3.38Å; E225-K228 PolarHBondContact O-N 2.87Å; K228-G234 VanDerWaalsContact O-CA 3.3Å; K228-G234 WeakPolarHBondContact O-CA 3.4Å; K228-L235 HydrophobicContact CB-CG 4.36Å; K228-L235 HydrophobicContact CD-CD1 3.57Å; K228-L235 HydrophobicContact CD-CD2 4.16Å; K228-L235 HydrophobicContact CD-CG 3.74Å; K228-L235 HydrophobicContact CG-CD1 4.1Å; K228-L235 HydrophobicContact CG-CD2 3.82Å; K228-L235 HydrophobicContact CG-CG 3.67Å
229G86.3Confident89.8Confident69 Ų6940.8 Ų40.871%0.71122%0.216SC*.Hα-helixtrans-84.1-36.1-175.600000115.8E225 W227E225-G229 PolarHBondContact O-N 2.9Å; W227-G229 PolarHBondContact O-N 2.64Å
230K85.2Confident89.7Confident125 Ų12541.3 Ų41.354%0.54322%0.22SC..Hα-helixtrans-102.4-26.4-173.3-68.8-174.4179.1177.10114.2I64 K226 W227I64-K230 HydrophobicContact CG1-CB 4.47Å; I64-K230 HydrophobicContact CG2-CB 4.44Å; K226-K230 WeakPolarHBondContact O-CB 3.44Å; K226-K230 PolarHBondContact O-N 2.83Å; W227-K230 PolarHBondContact O-N 3.16Å
231F85.2Confident89.8Confident6 Ų641.3 Ų41.33%0.02622%0.22CC..SBendtrans-74.7133.7-179-154.9-87.5000109.5L52 P56 I64 M195 Y202 W227 G233 G234 I237L52-F231 HydrophobicContact CD1-CE1 3.7Å; L52-F231 HydrophobicContact CD1-CZ 3.61Å; L52-F231 HydrophobicContact CD2-CE1 4.16Å; L52-F231 HydrophobicContact CD2-CZ 4.42Å; P56-F231 HydrophobicContact CG-CE1 4.2Å; P56-F231 HydrophobicContact CG-CZ 4.09Å; I64-F231 HydrophobicContact CD1-CB 4.16Å; I64-F231 HydrophobicContact CD1-CD2 3.33Å; I64-F231 HydrophobicContact CD1-CE2 4.05Å; I64-F231 HydrophobicContact CD1-CG 4.15Å; M195-F231 HydrophobicContact CE-CE1 4.29Å; M195-F231 HydrophobicContact CE-CE2 3.87Å; M195-F231 HydrophobicContact CE-CZ 3.67Å; M195-F231 HydrophobicContact CG-CE2 4.3Å; M195-F231 HydrophobicContact SD-CE2 4.21Å; Y202-F231 HydrophobicContact CD2-CE2 4.48Å; Y202-F231 HydrophobicContact CD2-CZ 4.26Å; Y202-F231 HydrophobicContact CE2-CE2 4.41Å; Y202-F231 AromaticContact CE2-CZ 3.95Å; Y202-F231 HydrophobicContact CE2-CZ 3.95Å; W227-F231 HydrophobicContact CD2-CB 4.08Å; W227-F231 AromaticContact CD2-CD2 3.86Å; W227-F231 HydrophobicContact CD2-CD2 3.86Å; W227-F231 HydrophobicContact CD2-CG 4.04Å; W227-F231 AromaticContact CE2-CD1 3.91Å; W227-F231 AromaticContact CE2-CD2 3.44Å; W227-F231 VanDerWaalsContact CE2-CD2 3.44Å; W227-F231 AromaticContact CE2-CG 3.43Å; W227-F231 VanDerWaalsContact CE2-CG 3.43Å; W227-F231 HydrophobicContact CE3-CD2 4.06Å; W227-F231 HydrophobicContact CG-CB 4.02Å; W227-F231 HydrophobicContact CG-CG 4.46Å; W227-F231 AromaticContact CH2-CD2 3.49Å; W227-F231 HydrophobicContact CH2-CD2 3.49Å; W227-F231 VanDerWaalsContact CH2-CD2 3.49Å; W227-F231 AromaticContact CH2-CE2 3.31Å; W227-F231 HydrophobicContact CH2-CE2 3.31Å; W227-F231 HydrophobicContact CH2-CG 4.28Å; W227-F231 AromaticContact CH2-CZ 3.94Å; W227-F231 HydrophobicContact CH2-CZ 3.94Å; W227-F231 HydrophobicContact CZ2-CB 4.44Å; W227-F231 AromaticContact CZ2-CD1 3.83Å; W227-F231 HydrophobicContact CZ2-CD1 3.83Å; W227-F231 AromaticContact CZ2-CD2 3.23Å; W227-F231 HydrophobicContact CZ2-CD2 3.23Å; W227-F231 AromaticContact CZ2-CE1 3.84Å; W227-F231 HydrophobicContact CZ2-CE1 3.84Å; W227-F231 AromaticContact CZ2-CE2 3.29Å; W227-F231 HydrophobicContact CZ2-CE2 3.29Å; W227-F231 AromaticContact CZ2-CG 3.56Å; W227-F231 HydrophobicContact CZ2-CG 3.56Å; W227-F231 AromaticContact CZ2-CZ 3.61Å; W227-F231 HydrophobicContact CZ2-CZ 3.61Å; W227-F231 AromaticContact CZ3-CD2 3.9Å; W227-F231 HydrophobicContact CZ3-CD2 3.9Å; W227-F231 HydrophobicContact CZ3-CE2 4.04Å; W227-F231 AromaticContact NE1-CD1 3.83Å; W227-F231 AromaticContact NE1-CG 3.55Å; W227-F231 WeakPolarHBondContact O-CB 3.48Å; W227-F231 PolarHBondContact O-N 3.13Å; F231-G233 PolarHBondContact O-N 3Å; F231-G234 PolarHBondContact O-N 3.24Å; F231-I237 HydrophobicContact CD1-CG2 3.72Å; F231-I237 HydrophobicContact CE1-CD1 4.09Å; F231-I237 HydrophobicContact CE1-CG2 3.99Å
232P83.2Confident89.8Confident11 Ų1141.8 Ų41.87%0.07122%0.219CC..THydrogen-bonded Turntrans-64.8123.2178.328-35.7000110.2P56 F59 M195 I237 L265P56-P232 HydrophobicContact CB-CG 3.61Å; P56-P232 HydrophobicContact CG-CG 4.28Å; F59-P232 HydrophobicContact CB-CG 4.26Å; F59-P232 HydrophobicContact CD1-CB 4.45Å; F59-P232 HydrophobicContact CD1-CG 4.44Å; F59-P232 HydrophobicContact CD2-CB 3.6Å; F59-P232 HydrophobicContact CD2-CG 3.58Å; F59-P232 HydrophobicContact CE1-CB 4.3Å; F59-P232 HydrophobicContact CE2-CB 3.41Å; F59-P232 VanDerWaalsContact CE2-CB 3.41Å; F59-P232 HydrophobicContact CE2-CG 3.96Å; F59-P232 HydrophobicContact CG-CB 4.12Å; F59-P232 HydrophobicContact CG-CG 3.84Å; F59-P232 HydrophobicContact CZ-CB 3.78Å; M195-P232 HydrophobicContact CE-CG 3.7Å; P232-I237 VanDerWaalsContact O-CD1 3.29Å; P232-I237 WeakPolarHBondContact O-CD1 3.45Å; P232-L265 HydrophobicContact CB-CD2 4.13Å
233G82.3Confident89.9Confident18 Ų1840.9 Ų40.919%0.18621%0.211CC..THydrogen-bonded Turntrans85.72.3-17200000114.3F231 L235 S236 I237F231-G233 PolarHBondContact O-N 3Å; G233-L235 PolarHBondContact O-N 3.1Å; G233-S236 PolarHBondContact O-N 3.31Å; G233-S236 PolarHBondContact O-OG 3.47Å; G233-I237 PolarHBondContact O-N 2.8Å
234G85.5Confident89.8Confident11 Ų1142.1 Ų42.111%0.11322%0.217CC..THydrogen-bonded Turntrans53.4-125.3172.400000113.6W227 K228 F231 I237W227-G234 PolarHBondContact NE1-O 3.25Å; K228-G234 VanDerWaalsContact O-CA 3.3Å; K228-G234 WeakPolarHBondContact O-CA 3.4Å; F231-G234 PolarHBondContact O-N 3.24Å; G234-I237 VanDerWaalsContact O-CG2 3.24Å; G234-I237 WeakPolarHBondContact O-CG2 3.12Å
235L86.9Confident89.7Confident24 Ų2442.2 Ų42.213%0.12622%0.218CC..THydrogen-bonded Turntrans-80.9-30.1172.7-69.6-178.6000113.5E8 I10 M224 K228 G233 I237 V238E8-L235 WeakPolarHBondContact O-CD1 3.13Å; I10-L235 HydrophobicContact CD1-CD2 3.82Å; I10-L235 HydrophobicContact CG1-CD2 4.49Å; M224-L235 HydrophobicContact CE-CD2 4.05Å; K228-L235 HydrophobicContact CB-CG 4.36Å; K228-L235 HydrophobicContact CD-CD1 3.57Å; K228-L235 HydrophobicContact CD-CD2 4.16Å; K228-L235 HydrophobicContact CD-CG 3.74Å; K228-L235 HydrophobicContact CG-CD1 4.1Å; K228-L235 HydrophobicContact CG-CD2 3.82Å; K228-L235 HydrophobicContact CG-CG 3.67Å; G233-L235 PolarHBondContact O-N 3.1Å; L235-I237 PolarHBondContact O-N 3.44Å; L235-V238 WeakPolarHBondContact O-CB 3.29Å; L235-V238 PolarHBondContact O-N 2.85Å
236S87.2Confident89.1Confident47 Ų4739.4 Ų39.433%0.32922%0.222SC..THydrogen-bonded Turntrans-60-25.8-173.569.30000113.4E8 K53 G233 V263E8-S236 WeakPolarHBondContact OE2-CA 3.48Å; K53-S236 WeakPolarHBondContact CD-O 3.3Å; K53-S236 PolarHBondContact NZ-O 3.12Å; G233-S236 PolarHBondContact O-N 3.31Å; G233-S236 PolarHBondContact O-OG 3.47Å; S236-V263 WeakPolarHBondContact O-CG2 3.38Å
237I90.8Very high88.5Confident0 Ų039.1 Ų39.10%025%0.245CC..THydrogen-bonded Turntrans-77.4-18176.2-166.1160.8000114.4L52 K53 F231 P232 G233 G234 L235 R239 V263 L265L52-I237 CarbonylContact C-O 3.57Å; L52-I237 VanDerWaalsContact CA-O 3.31Å; L52-I237 WeakPolarHBondContact CA-O 3.34Å; L52-I237 HydrophobicContact CB-CG1 4.24Å; L52-I237 HydrophobicContact CD1-CD1 4.47Å; L52-I237 HydrophobicContact CD1-CG1 4.49Å; L52-I237 HydrophobicContact CD2-CG1 4.33Å; L52-I237 HydrophobicContact CD2-CG2 4.27Å; K53-I237 PolarHBondContact N-O 3.16Å; F231-I237 HydrophobicContact CD1-CG2 3.72Å; F231-I237 HydrophobicContact CE1-CD1 4.09Å; F231-I237 HydrophobicContact CE1-CG2 3.99Å; P232-I237 VanDerWaalsContact O-CD1 3.29Å; P232-I237 WeakPolarHBondContact O-CD1 3.45Å; G233-I237 PolarHBondContact O-N 2.8Å; G234-I237 VanDerWaalsContact O-CG2 3.24Å; G234-I237 WeakPolarHBondContact O-CG2 3.12Å; L235-I237 PolarHBondContact O-N 3.44Å; I237-R239 PolarHBondContact O-N 2.79Å; I237-V263 HydrophobicContact CB-CG1 3.84Å; I237-V263 HydrophobicContact CD1-CG1 4.3Å; I237-V263 HydrophobicContact CG1-CG1 4.02Å; I237-L265 HydrophobicContact CD1-CD2 3.47Å; I237-L265 VanDerWaalsContact CD1-CD2 3.47Å
238V92.2Very high88.3Confident1 Ų141.2 Ų41.21%0.00626%0.255CS..EExtended strand (participates in β ladder)trans-76.5123.2-177.5179.30000109.1V50 L52 K53 L235 L241 Y254V50-V238 HydrophobicContact CG1-CB 4.44Å; V50-V238 HydrophobicContact CG1-CG1 3.88Å; V50-V238 HydrophobicContact CG1-CG2 3.88Å; L52-V238 HydrophobicContact CD2-CG2 4.47Å; K53-V238 WeakPolarHBondContact CE-O 3.37Å; L235-V238 WeakPolarHBondContact O-CB 3.29Å; L235-V238 PolarHBondContact O-N 2.85Å; V238-L241 HydrophobicContact CG1-CD2 3.73Å; V238-L241 HydrophobicContact CG1-CG 3.85Å; V238-Y254 HydrophobicContact CB-CE1 4.31Å; V238-Y254 HydrophobicContact CG1-CD1 3.94Å; V238-Y254 HydrophobicContact CG1-CE1 3.94Å
239R92.9Very high88.3Confident156 Ų15641.8 Ų41.859%0.58927%0.266SS*.EExtended strand (participates in β ladder)trans-86.7-46.3174-174.4174.3-178.8171.70.5111.3N51 K53 I237 A255 S256N51-R239 PolarHBondContact O-N 3.14Å; K53-R239 HydrophobicContact CG-CB 3.71Å; K53-R239 HydrophobicContact CG-CG 4.29Å; I237-R239 PolarHBondContact O-N 2.79Å; R239-A255 CarbonylContact O-C 3.59Å; R239-A255 WeakPolarHBondContact O-CA 3.17Å; R239-S256 PolarHBondContact O-N 3.2Å
240S94.2Very high88.6Confident11 Ų1142 Ų428%0.07726%0.255CS..EExtended strand (participates in β ladder)trans-155146-178.261.30000111.4N51 Y242 Y254N51-S240 WeakPolarHBondContact CB-OG 3.35Å; N51-S240 PolarHBondContact N-O 2.98Å; N51-S240 PolarHBondContact ND2-OG 3.37Å; N51-S240 PolarHBondContact O-N 3.32Å; S240-Y242 VanDerWaalsContact OG-CE2 3.22Å; S240-Y242 WeakPolarHBondContact OG-CE2 3.24Å; S240-Y254 CarbonylContact C-O 3.6Å; S240-Y254 WeakPolarHBondContact CA-O 3.44Å
241L95.4Very high89.1Confident1 Ų138.7 Ų38.71%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-115.6132.2171.5-57.4171.2000109.6I10 V50 F220 M224 V238 V253 Y254I10-L241 HydrophobicContact CD1-CD1 3.81Å; I10-L241 HydrophobicContact CG1-CD1 4.2Å; V50-L241 HydrophobicContact CB-CD2 3.91Å; V50-L241 HydrophobicContact CG1-CD2 3.69Å; V50-L241 HydrophobicContact CG2-CD2 3.55Å; F220-L241 HydrophobicContact CZ-CD1 4.39Å; M224-L241 HydrophobicContact CE-CD1 3.86Å; M224-L241 HydrophobicContact CE-CD2 4.28Å; V238-L241 HydrophobicContact CG1-CD2 3.73Å; V238-L241 HydrophobicContact CG1-CG 3.85Å; L241-V253 PolarHBondContact O-N 2.94Å; L241-Y254 HydrophobicContact CD1-CD1 4.16Å; L241-Y254 HydrophobicContact CD1-CG 4.1Å; L241-Y254 HydrophobicContact CG-CD1 4.02Å; L241-Y254 HydrophobicContact CG-CG 4.3Å; L241-Y254 PolarHBondContact N-O 2.91Å; L241-Y254 PolarHBondContact O-N 2.97Å
242Y95.6Very high89.5Confident76 Ų7642.2 Ų42.230%0.29827%0.267SS..EExtended strand (participates in β ladder)trans-123.3133.6175.5-67.2-82.7000110A48 T49 N51 S240 P250 L251 P252A48-Y242 CarbonylContact C-O 3.49Å; A48-Y242 WeakPolarHBondContact CA-O 3.37Å; T49-Y242 PolarHBondContact N-O 2.92Å; T49-Y242 PolarHBondContact O-N 3.47Å; N51-Y242 WeakPolarHBondContact ND2-CE2 3.48Å; S240-Y242 VanDerWaalsContact OG-CE2 3.22Å; S240-Y242 WeakPolarHBondContact OG-CE2 3.24Å; Y242-P250 HydrophobicContact CD1-CB 4.05Å; Y242-P250 HydrophobicContact CD1-CG 4.47Å; Y242-P250 HydrophobicContact CG-CB 4.22Å; Y242-L251 CarbonylContact C-O 3.51Å; Y242-L251 VanDerWaalsContact CA-O 3.26Å; Y242-L251 WeakPolarHBondContact CA-O 3.08Å; Y242-P252 HydrophobicContact CD1-CB 3.98Å; Y242-P252 HydrophobicContact CE1-CB 3.73Å
243I95.4Very high90Very high0 Ų041.8 Ų41.80%026%0.264CS..EExtended strand (participates in β ladder)trans-101.7133171.6-60.8-176.8000108.2V15 A18 V19 L22 I46 F206 L251 V253V15-I243 HydrophobicContact CG1-CD1 3.85Å; A18-I243 HydrophobicContact CB-CD1 4.49Å; V19-I243 HydrophobicContact CG2-CD1 4.03Å; V19-I243 HydrophobicContact CG2-CG2 4.43Å; L22-I243 HydrophobicContact CD2-CG2 4.05Å; I46-I243 HydrophobicContact CG2-CG2 4.23Å; F206-I243 HydrophobicContact CE1-CG2 4.42Å; F206-I243 HydrophobicContact CZ-CG2 4.13Å; I243-L251 PolarHBondContact N-O 3.17Å; I243-L251 PolarHBondContact O-N 3.42Å; I243-V253 HydrophobicContact CB-CG2 4.29Å; I243-V253 HydrophobicContact CD1-CB 4.49Å; I243-V253 HydrophobicContact CD1-CG2 3.69Å; I243-V253 HydrophobicContact CG1-CG2 3.74Å
244H92.3Very high90.5Very high31 Ų3142.2 Ų42.214%0.14426%0.26CS..EExtended strand (participates in β ladder)trans-153.6166.5-179.665.292.8000111.5G47 T49 H203 P250G47-H244 PolarHBondContact N-O 3.11Å; G47-H244 PolarHBondContact O-N 3.22Å; T49-H244 PolarHBondContact OG1-CD2 2.78Å; T49-H244 PolarHBondContact OG1-NE2 3.09Å; H203-H244 AromaticContact CE1-CE1 3.16Å; H203-H244 PolarHBondContact CE1-CE1 2.9Å; H203-H244 AromaticContact CE1-NE2 3.34Å; H203-H244 PolarHBondContact CE1-NE2 3.39Å; H203-H244 VanDerWaalsContact CE1-NE2 3.34Å; H203-H244 AromaticContact ND1-CE1 3.48Å; H203-H244 PolarHBondContact ND1-CE1 3Å; H203-H244 AromaticContact ND1-NE2 3.23Å; H203-H244 PolarHBondContact ND1-NE2 3.1Å; H203-H244 AromaticContact NE2-CE1 3.99Å; H244-P250 HydrophobicContact CB-CB 4.01Å
245S89.8Confident90.9Very high3 Ų344.4 Ų44.42%0.02128%0.277CS..EExtended strand (participates in β ladder)trans-118.7152.2166.2-1760000108.6K45 G247 H248K45-S245 WeakPolarHBondContact O-CA 3.22Å; K45-S245 WeakPolarHBondContact O-CB 3.46Å; K45-S245 PolarHBondContact O-OG 2.91Å; S245-G247 PolarHBondContact O-N 3.47Å; S245-H248 PolarHBondContact O-N 3.26Å
246G79.8Confident91.1Very high64 Ų6444 Ų4466%0.6628%0.276SS*.THydrogen-bonded Turntrans-54.6123.4-17300000112.1
247G79.5Confident91.1Very high85 Ų8551.2 Ų51.288%0.87630%0.302SS*.THydrogen-bonded Turntrans91.1-7.8179.300000115.4S245S245-G247 PolarHBondContact O-N 3.47Å
248H85.9Confident90.9Very high48 Ų4854.6 Ų54.622%0.22232%0.319CS..SBendtrans-109157.4-177.5-56.7-55.3000113.1Y25 L26 S245Y25-H248 HydrophobicContact CE1-CB 4.35Å; Y25-H248 AromaticContact CE1-ND1 3.78Å; L26-H248 VanDerWaalsContact CD2-CD2 3.45Å; L26-H248 WeakPolarHBondContact CD2-CD2 3.44Å; L26-H248 WeakPolarHBondContact CD2-NE2 3.12Å; S245-H248 PolarHBondContact O-N 3.26Å
249P88.9Confident90.6Very high91 Ų9158 Ų5859%0.59134%0.344SS*.PPolyproline II helixtrans-60138.8177.3-24.334.5000112.9
250P93.2Very high90.2Very high72 Ų7253 Ų5347%0.46833%0.332SS..PPolyproline II helixtrans-78.3138.1179.628.4-32.3000113.8Y242 H244Y242-P250 HydrophobicContact CD1-CB 4.05Å; Y242-P250 HydrophobicContact CD1-CG 4.47Å; Y242-P250 HydrophobicContact CG-CB 4.22Å; H244-P250 HydrophobicContact CB-CB 4.01Å
251L94.8Very high89.8Confident57 Ų5759.6 Ų59.630%0.29837%0.367SS..EExtended strand (participates in β ladder)trans-93.6121.5175.4-60.5178.5000110.7A18 A21 L22 Y242 I243A18-L251 HydrophobicContact CB-CB 4.28Å; A18-L251 HydrophobicContact CB-CD1 4.16Å; A18-L251 VanDerWaalsContact O-CD1 3.26Å; A18-L251 WeakPolarHBondContact O-CD1 3.41Å; A21-L251 HydrophobicContact CB-CD1 4.39Å; L22-L251 HydrophobicContact CB-CD1 4.12Å; Y242-L251 CarbonylContact C-O 3.51Å; Y242-L251 VanDerWaalsContact CA-O 3.26Å; Y242-L251 WeakPolarHBondContact CA-O 3.08Å; I243-L251 PolarHBondContact N-O 3.17Å; I243-L251 PolarHBondContact O-N 3.42Å
252P94Very high89.1Confident80 Ų8062.7 Ų62.752%0.51939%0.388SS..EExtended strand (participates in β ladder)trans-72.7131.3176.328.6-32.2000110.9Q14 Y242Q14-P252 PolarHBondContact NE2-O 2.9Å; Y242-P252 HydrophobicContact CD1-CB 3.98Å; Y242-P252 HydrophobicContact CE1-CB 3.73Å
253V94Very high88.5Confident2 Ų259.6 Ų59.61%0.01238%0.377CS..EExtended strand (participates in β ladder)trans-121.8-24.3-179.2178.70000112.4Q14 V15 A18 L241 I243Q14-V253 HydrophobicContact CG-CG1 4.33Å; Q14-V253 PolarHBondContact OE1-O 3.38Å; V15-V253 HydrophobicContact CB-CG1 4.03Å; V15-V253 HydrophobicContact CG2-CG1 3.32Å; A18-V253 HydrophobicContact CB-CG2 3.58Å; L241-V253 PolarHBondContact O-N 2.94Å; I243-V253 HydrophobicContact CB-CG2 4.29Å; I243-V253 HydrophobicContact CD1-CB 4.49Å; I243-V253 HydrophobicContact CD1-CG2 3.69Å; I243-V253 HydrophobicContact CG1-CG2 3.74Å
254Y93.3Very high87.7Confident27 Ų2765.3 Ų65.311%0.10641%0.412CS..EExtended strand (participates in β ladder)trans-148.1139.8178.4175.5-96.6000109.3E8 I10 V238 S240 L241E8-Y254 VanDerWaalsContact CB-OH 3.29Å; E8-Y254 WeakPolarHBondContact CB-OH 3.42Å; E8-Y254 VanDerWaalsContact CG-OH 3.3Å; E8-Y254 WeakPolarHBondContact CG-OH 3.45Å; E8-Y254 PolarHBondContact OE2-OH 3.32Å; I10-Y254 HydrophobicContact CG1-CD2 4.19Å; V238-Y254 HydrophobicContact CB-CE1 4.31Å; V238-Y254 HydrophobicContact CG1-CD1 3.94Å; V238-Y254 HydrophobicContact CG1-CE1 3.94Å; S240-Y254 CarbonylContact C-O 3.6Å; S240-Y254 WeakPolarHBondContact CA-O 3.44Å; L241-Y254 HydrophobicContact CD1-CD1 4.16Å; L241-Y254 HydrophobicContact CD1-CG 4.1Å; L241-Y254 HydrophobicContact CG-CD1 4.02Å; L241-Y254 HydrophobicContact CG-CG 4.3Å; L241-Y254 PolarHBondContact N-O 2.91Å; L241-Y254 PolarHBondContact O-N 2.97Å
255A92.4Very high87.2Confident57 Ų5766.1 Ų66.147%0.47142%0.417SS..EExtended strand (participates in β ladder)trans-142.2130.9171.300000108.9R239 F257R239-A255 CarbonylContact O-C 3.59Å; R239-A255 WeakPolarHBondContact O-CA 3.17Å; A255-F257 HydrophobicContact CB-CE2 4.4Å; A255-F257 HydrophobicContact CB-CZ 4.29Å
256S91.2Very high86.4Confident14 Ų1467.9 Ų67.910%0.09844%0.436CS..  trans-108.2133.9170.1175.10000110.2E8 K53 R239 L258E8-S256 WeakPolarHBondContact OE1-CB 3.46Å; E8-S256 PolarHBondContact OE1-OG 3.17Å; K53-S256 WeakPolarHBondContact CE-OG 3.27Å; K53-S256 PolarHBondContact NZ-OG 3.31Å; R239-S256 PolarHBondContact O-N 3.2Å; S256-L258 PolarHBondContact OG-N 2.84Å
257F86.9Confident86Confident200 Ų20076.4 Ų76.488%0.87745%0.448SS*.  trans-1024.9176.5-57.9-78000112.7A255A255-F257 HydrophobicContact CB-CE2 4.4Å; A255-F257 HydrophobicContact CB-CZ 4.29Å
258L86.6Confident85.7Confident70 Ų7077 Ų7737%0.36642%0.424SS..SBendtrans-67.2142.6175.7-63.2-176.2000111P6 E8 S256P6-L258 HydrophobicContact CG-CD1 4.13Å; P6-L258 HydrophobicContact CG-CD2 3.97Å; E8-L258 HydrophobicContact CG-CD1 4.17Å; E8-L258 WeakPolarHBondContact OE1-CD1 3.46Å; S256-L258 PolarHBondContact OG-N 2.84Å
259S86.2Confident84.9Confident74 Ų7483.9 Ų83.952%0.51745%0.453SS..  trans-61142.5177.5177.80000111.7N261 S262S259-N261 PolarHBondContact O-N 3.21Å; S259-N261 PolarHBondContact OG-N 3.28Å; S259-S262 PolarHBondContact O-N 3.37Å; S259-S262 VanDerWaalsContact O-N 3.12Å; S259-S262 PolarHBondContact O-OG 3.47Å
260S85.4Confident83.9Confident49 Ų4983.8 Ų83.834%0.34345%0.454SS..G310 helixtrans-56.4-21.9174.6-590000113.4K53 S262 V263K53-S260 PolarHBondContact O-OG 3.49Å; S260-S262 VanDerWaalsContact C-N 3.3Å; S260-S262 PolarHBondContact O-N 3.46Å; S260-V263 PolarHBondContact O-N 2.94Å
261N85.4Confident82.6Confident151 Ų15190.7 Ų90.781%0.80747%0.471SS*.G310 helixtrans-70.8-21.7-179.7-67.2-15.6000113.6S259 V263S259-N261 PolarHBondContact O-N 3.21Å; S259-N261 PolarHBondContact OG-N 3.28Å; N261-V263 PolarHBondContact O-N 2.95Å
262S81.1Confident81.4Confident66 Ų6693.3 Ų93.346%0.46249%0.49SS..G310 helixtrans-77.3-9.1176.464.40000112.9S259 S260 V264S259-S262 PolarHBondContact O-N 3.37Å; S259-S262 VanDerWaalsContact O-N 3.12Å; S259-S262 PolarHBondContact O-OG 3.47Å; S260-S262 VanDerWaalsContact C-N 3.3Å; S260-S262 PolarHBondContact O-N 3.46Å; S262-V264 PolarHBondContact O-N 3.45Å
263V81.6Confident80.3Confident11 Ų1199 Ų997%0.06750%0.501CS..  trans-84.3107.3-175.1-174.80000110.7K53 S236 I237 S260 N261 L265K53-V263 HydrophobicContact CB-CG2 4.27Å; K53-V263 HydrophobicContact CD-CG2 3.91Å; S236-V263 WeakPolarHBondContact O-CG2 3.38Å; I237-V263 HydrophobicContact CB-CG1 3.84Å; I237-V263 HydrophobicContact CD1-CG1 4.3Å; I237-V263 HydrophobicContact CG1-CG1 4.02Å; S260-V263 PolarHBondContact O-N 2.94Å; N261-V263 PolarHBondContact O-N 2.95Å; V263-L265 PolarHBondContact O-N 3.32Å
264V80.4Confident79.5Confident119 Ų119109.6 Ų109.672%0.72154%0.54SS*.  trans-87.5106.4172.3-175.50000109.9S262 G266S262-V264 PolarHBondContact O-N 3.45Å; V264-G266 PolarHBondContact O-N 3.37Å
265L80.5Confident78.9Confident49 Ų49110.7 Ų110.726%0.25755%0.551SS.*PPolyproline II helixtrans-73.7121.9168.7-70.1175.8000109.7L54 P56 P232 I237 V263L54-L265 HydrophobicContact CD2-CD1 3.47Å; L54-L265 VanDerWaalsContact CD2-CD1 3.47Å; L54-L265 HydrophobicContact CD2-CG 3.84Å; L54-L265 HydrophobicContact CG-CD1 4Å; P56-L265 HydrophobicContact CB-CD2 4.13Å; P232-L265 HydrophobicContact CB-CD2 4.13Å; I237-L265 HydrophobicContact CD1-CD2 3.47Å; I237-L265 VanDerWaalsContact CD1-CD2 3.47Å; V263-L265 PolarHBondContact O-N 3.32Å
266G74.1Confident78.4Confident40 Ų40114.1 Ų114.141%0.41256%0.56SS.*PPolyproline II helixtrans-55.3150.2169.200000111.4F59 V264F59-G266 WeakPolarHBondContact CE2-O 3.4Å; F59-G266 WeakPolarHBondContact CZ-O 3.36Å; V264-G266 PolarHBondContact O-N 3.37Å
267R71.6Confident78.1Confident243 Ų243117 Ų11792%0.91758%0.577SS**PPolyproline II helixtrans-79.4132.1171.7-66.2-174.4-178.1-170.72.7109.3K269R267-K269 PolarHBondContact O-N 3.29Å
268R72.8Confident77.7Confident96 Ų96109 Ų10936%0.36255%0.551SS.*PPolyproline II helixtrans-61.5126171.1-174.7172179.7172.45.7108.6A58 F59 V60 S270A58-R268 HydrophobicContact CB-CB 4.37Å; A58-R268 WeakPolarHBondContact O-CD 3.12Å; A58-R268 PolarHBondContact O-NH1 2.92Å; A58-R268 VanDerWaalsContact O-NH1 3.16Å; F59-R268 HydrophobicContact CD1-CB 4.23Å; F59-R268 HydrophobicContact CD1-CG 4.36Å; F59-R268 HydrophobicContact CE1-CB 3.84Å; F59-R268 HydrophobicContact CE1-CG 4.24Å; F59-R268 HydrophobicContact CZ-CB 4.09Å; V60-R268 PolarHBondContact O-NH1 3.1Å; R268-S270 PolarHBondContact O-N 2.87Å; R268-S270 VanDerWaalsContact O-N 3.1Å
269K69.1Low77.3Confident193 Ų193113.4 Ų113.484%0.83957%0.57SS**PPolyproline II helixtrans-55.3120.5172.7-68-175.8179.8-178.20108.2R267 R271R267-K269 PolarHBondContact O-N 3.29Å; K269-R271 PolarHBondContact O-N 2.96Å
270S67.1Low76.7Confident89 Ų89113.8 Ų113.862%0.62257%0.565SS**PPolyproline II helixtrans-59.3129.8176.1-177.40000108.7R268 V272R268-S270 PolarHBondContact O-N 2.87Å; R268-S270 VanDerWaalsContact O-N 3.1Å; S270-V272 PolarHBondContact O-N 3.46Å; S270-V272 WeakPolarHBondContact OG-CB 3.47Å; S270-V272 PolarHBondContact OG-N 3.11Å; S270-V272 VanDerWaalsContact OG-N 3.16Å
271R66.7Low75.9Confident217 Ų217117.5 Ų117.582%0.81959%0.591SS**SBendtrans-72.1-17.4170.4-72.3-175.8175.2176-1.7111.9K269 R273K269-R271 PolarHBondContact O-N 2.96Å; R271-R273 PolarHBondContact O-N 3.32Å; R271-R273 VanDerWaalsContact O-N 3.13Å
272V69.3Low75.4Confident113 Ų113115.7 Ų115.769%0.68559%0.586SS**SBendtrans-69.3111.5176.2-174.80000107.1S270 R274S270-V272 PolarHBondContact O-N 3.46Å; S270-V272 WeakPolarHBondContact OG-CB 3.47Å; S270-V272 PolarHBondContact OG-N 3.11Å; S270-V272 VanDerWaalsContact OG-N 3.16Å; V272-R274 PolarHBondContact O-N 2.93Å
273R71.3Confident74.8Confident200 Ų200115.1 Ų115.176%0.75558%0.577SS**PPolyproline II helixtrans-57.3125.4171.3-70.3-175.5176175.5-2107.4R271R271-R273 PolarHBondContact O-N 3.32Å; R271-R273 VanDerWaalsContact O-N 3.13Å
274R76.1Confident74Confident223 Ų223125.3 Ų125.384%0.84261%0.614SS**PPolyproline II helixtrans-60.8138.6172.6-67.8-176.8178.7-172.6-1.2107.5V272 I276V272-R274 PolarHBondContact O-N 2.93Å; R274-I276 PolarHBondContact O-N 3.01Å
275P82.3Confident73.3Confident51 Ų51129.7 Ų129.733%0.33162%0.619SS.*PPolyproline II helixtrans-63.7135.9178.827.6-33.8000109.6R289 V290 Y291P275-R289 HydrophobicContact CB-CG 3.53Å; P275-R289 HydrophobicContact CG-CG 3.97Å; P275-V290 CarbonylContact C-O 3.59Å; P275-V290 WeakPolarHBondContact CA-O 3.2Å; P275-V290 WeakPolarHBondContact CB-O 3.33Å; P275-Y291 HydrophobicContact CB-CD1 3.75Å; P275-Y291 HydrophobicContact CB-CE1 3.93Å; P275-Y291 HydrophobicContact CB-CG 4.22Å; P275-Y291 HydrophobicContact CG-CD1 4.23Å; P275-Y291 HydrophobicContact CG-CE1 4.03Å
276I82Confident72.8Confident128 Ų128128.1 Ų128.166%0.65662%0.616SS**EExtended strand (participates in β ladder)trans-83.4127.5178.3-60169.2000106.7R274 R289 V290R274-I276 PolarHBondContact O-N 3.01Å; I276-R289 WeakPolarHBondContact O-CA 3.34Å; I276-V290 PolarHBondContact N-O 2.93Å; I276-V290 PolarHBondContact O-N 2.84Å
277V83.3Confident73.1Confident76 Ų76131.3 Ų131.346%0.46162%0.618SS.*EExtended strand (participates in β ladder)trans-101.4115.7174.3-177.60000107.1K287 V288 R289V277-K287 HydrophobicContact CG1-CB 3.75Å; V277-K287 HydrophobicContact CG1-CD 3.97Å; V277-K287 HydrophobicContact CG1-CG 4.37Å; V277-V288 WeakPolarHBondContact CA-O 3.46Å; V277-R289 HydrophobicContact CG2-CB 4.36Å; V277-R289 HydrophobicContact CG2-CG 4.18Å
278G80Confident73.5Confident32 Ų32120 Ų12033%0.3358%0.576SS.*EExtended strand (participates in β ladder)trans-134.6160.2-179.900000111.6V288G278-V288 PolarHBondContact N-O 2.78Å; G278-V288 PolarHBondContact O-N 2.73Å
279E78.4Confident74Confident162 Ų162119.3 Ų119.376%0.75757%0.573SS**EExtended strand (participates in β ladder)trans-85132.7168.4-65.9179.3177.600107.7K287E279-K287 HydrophobicContact CG-CG 4.36Å
280L72.3Confident74.6Confident81 Ų81113 Ų11342%0.42455%0.551SS.*  trans-103.6124.4178.1-153.879.8000106.8T282 L283 V288L280-T282 VanDerWaalsContact CD2-OG1 3.25Å; L280-T282 WeakPolarHBondContact CD2-OG1 3.25Å; L280-T282 PolarHBondContact O-N 3.11Å; L280-L283 HydrophobicContact CB-CB 4.42Å; L280-L283 HydrophobicContact CB-CD1 4.11Å; L280-L283 HydrophobicContact CD2-CD1 4.08Å; L280-L283 PolarHBondContact O-N 3.01Å; L280-V288 HydrophobicContact CB-CG2 3.77Å; L280-V288 HydrophobicContact CD2-CG2 4.35Å
281S69Low75.4Confident127 Ų127112 Ų11289%0.88853%0.534SS*.THydrogen-bonded Turntrans-57.1-23.7-176.445.50000114
282T75.7Confident75.8Confident113 Ų113104.5 Ų104.569%0.69352%0.524SS*.THydrogen-bonded Turntrans-82.3-13.8176.350.50000114.2L280L280-T282 VanDerWaalsContact CD2-OG1 3.25Å; L280-T282 WeakPolarHBondContact CD2-OG1 3.25Å; L280-T282 PolarHBondContact O-N 3.11Å
283L67.8Low76.3Confident54 Ų54105.2 Ų105.228%0.28352%0.524SS..  trans-104.6102.3179-78162.4000110L280 Y285 V288 I298L280-L283 HydrophobicContact CB-CB 4.42Å; L280-L283 HydrophobicContact CB-CD1 4.11Å; L280-L283 HydrophobicContact CD2-CD1 4.08Å; L280-L283 PolarHBondContact O-N 3.01Å; L283-Y285 PolarHBondContact O-N 2.87Å; L283-V288 HydrophobicContact CD1-CG2 3.24Å; L283-I298 HydrophobicContact CD1-CD1 4.02Å; L283-I298 HydrophobicContact CD1-CG1 3.9Å; L283-I298 HydrophobicContact CD2-CD1 3.85Å
284R65.3Low76.5Confident225 Ų22598.7 Ų98.785%0.84952%0.519SS*.SBendtrans-59.7-26.5-179.7-69.7-173.3-178.4-1371.1113.8
285Y65.1Low76.8Confident211 Ų21190.4 Ų90.483%0.82750%0.495SS*.SBendtrans-145.9101.4179.7-53.7-77000111.6L283L283-Y285 PolarHBondContact O-N 2.87Å
286G69.1Low76.8Confident17 Ų1791.1 Ų91.118%0.17551%0.505CS..  trans147.4150.3170.700000113.8
287K80.4Confident76.8Confident106 Ų10693 Ų9346%0.46150%0.504SS..EExtended strand (participates in β ladder)trans-91.5137.7172-68-176.8177.8-177.30109.2V277 E279 V299V277-K287 HydrophobicContact CG1-CB 3.75Å; V277-K287 HydrophobicContact CG1-CD 3.97Å; V277-K287 HydrophobicContact CG1-CG 4.37Å; E279-K287 HydrophobicContact CG-CG 4.36Å; K287-V299 HydrophobicContact CB-CB 4.49Å; K287-V299 PolarHBondContact N-O 3.41Å; K287-V299 WeakPolarHBondContact O-CA 3.41Å; K287-V299 WeakPolarHBondContact O-CB 3.49Å; K287-V299 PolarHBondContact O-N 3.43Å
288V81.2Confident76.6Confident6 Ų694 Ų944%0.03651%0.506CS..EExtended strand (participates in β ladder)trans-97.4128.3175.1-176.90000109.4V277 G278 L280 L283 V290 A296V277-V288 WeakPolarHBondContact CA-O 3.46Å; G278-V288 PolarHBondContact N-O 2.78Å; G278-V288 PolarHBondContact O-N 2.73Å; L280-V288 HydrophobicContact CB-CG2 3.77Å; L280-V288 HydrophobicContact CD2-CG2 4.35Å; L283-V288 HydrophobicContact CD1-CG2 3.24Å; V288-V290 HydrophobicContact CG1-CG2 3.89Å; V288-A296 HydrophobicContact CG1-CB 3.76Å
289R83.5Confident76.4Confident81 Ų8194.8 Ų94.831%0.30650%0.504SS..EExtended strand (participates in β ladder)trans-97.9107.9171.6-174.6179.4-66.5163.24.4108.9P275 I276 V277 Y291 A296 R297 V299P275-R289 HydrophobicContact CB-CG 3.53Å; P275-R289 HydrophobicContact CG-CG 3.97Å; I276-R289 WeakPolarHBondContact O-CA 3.34Å; V277-R289 HydrophobicContact CG2-CB 4.36Å; V277-R289 HydrophobicContact CG2-CG 4.18Å; R289-Y291 WeakPolarHBondContact CD-OH 3.33Å; R289-Y291 HydrophobicContact CG-CE2 4.28Å; R289-A296 CarbonylContact O-C 3.44Å; R289-A296 WeakPolarHBondContact O-CA 3.47Å; R289-R297 PolarHBondContact N-O 3.32Å; R289-R297 PolarHBondContact O-N 2.93Å; R289-V299 HydrophobicContact CB-CG2 4.02Å
290V81.9Confident75.8Confident60 Ų6096.2 Ų96.236%0.36450%0.502SS..EExtended strand (participates in β ladder)trans-97.8123.5178.7-174.90000109.6P275 I276 V288 S295 A296P275-V290 CarbonylContact C-O 3.59Å; P275-V290 WeakPolarHBondContact CA-O 3.2Å; P275-V290 WeakPolarHBondContact CB-O 3.33Å; I276-V290 PolarHBondContact N-O 2.93Å; I276-V290 PolarHBondContact O-N 2.84Å; V288-V290 HydrophobicContact CG1-CG2 3.89Å; V290-S295 WeakPolarHBondContact CA-O 3.19Å; V290-A296 HydrophobicContact CG2-CB 4.37Å
291Y83.7Confident75.2Confident70 Ų70101.7 Ų101.728%0.27552%0.523SS..  trans-90159.4176.4-64.3-88.7000110.8P275 R289 D293 G294 S295 R297P275-Y291 HydrophobicContact CB-CD1 3.75Å; P275-Y291 HydrophobicContact CB-CE1 3.93Å; P275-Y291 HydrophobicContact CB-CG 4.22Å; P275-Y291 HydrophobicContact CG-CD1 4.23Å; P275-Y291 HydrophobicContact CG-CE1 4.03Å; R289-Y291 WeakPolarHBondContact CD-OH 3.33Å; R289-Y291 HydrophobicContact CG-CE2 4.28Å; Y291-D293 WeakPolarHBondContact CB-OD1 3.3Å; Y291-D293 PolarHBondContact O-N 3.41Å; Y291-D293 VanDerWaalsContact O-N 3.1Å; Y291-G294 PolarHBondContact O-N 3.02Å; Y291-S295 WeakPolarHBondContact CB-OG 3.3Å; Y291-S295 WeakPolarHBondContact CD2-O 3.36Å; Y291-S295 WeakPolarHBondContact CD2-OG 3.12Å; Y291-S295 PolarHBondContact N-O 3.3Å; Y291-R297 HydrophobicContact CE2-CB 4.44Å; Y291-R297 HydrophobicContact CE2-CG 4.05Å
292G75.1Confident74.5Confident59 Ų59103.1 Ų103.161%0.60852%0.521SS*.THydrogen-bonded Turntrans-66.8-9.2-177.800000115.3G294G292-G294 VanDerWaalsContact C-N 3.34Å
293D78.7Confident73Confident128 Ų128101.4 Ų101.468%0.68451%0.513SS*.THydrogen-bonded Turntrans-88.3-0.9172.861.9-3.6000113.1Y291 S295Y291-D293 WeakPolarHBondContact CB-OD1 3.3Å; Y291-D293 PolarHBondContact O-N 3.41Å; Y291-D293 VanDerWaalsContact O-N 3.1Å; D293-S295 WeakPolarHBondContact OD1-CB 3.29Å; D293-S295 PolarHBondContact OD1-N 3.38Å; D293-S295 PolarHBondContact OD1-OG 3.43Å; D293-S295 PolarHBondContact OD2-OG 3.12Å
294G75.8Confident71.6Confident63 Ų63103.6 Ų103.665%0.64953%0.533SS*.SBendtrans89.1-2.7-177.600000114.2Y291 G292Y291-G294 PolarHBondContact O-N 3.02Å; G292-G294 VanDerWaalsContact C-N 3.34Å
295S83.1Confident70.3Confident48 Ų48101.1 Ų101.134%0.33653%0.531SS..  trans-73.9136.7175.867.20000111.2V290 Y291 D293V290-S295 WeakPolarHBondContact CA-O 3.19Å; Y291-S295 WeakPolarHBondContact CB-OG 3.3Å; Y291-S295 WeakPolarHBondContact CD2-O 3.36Å; Y291-S295 WeakPolarHBondContact CD2-OG 3.12Å; Y291-S295 PolarHBondContact N-O 3.3Å; D293-S295 WeakPolarHBondContact OD1-CB 3.29Å; D293-S295 PolarHBondContact OD1-N 3.38Å; D293-S295 PolarHBondContact OD1-OG 3.43Å; D293-S295 PolarHBondContact OD2-OG 3.12Å
296A80.7Confident68.8Low66 Ų66100 Ų10055%0.54553%0.53SS..EExtended strand (participates in β ladder)trans-117.6135.6178.700000110.2V288 R289 V290V288-A296 HydrophobicContact CG1-CB 3.76Å; R289-A296 CarbonylContact O-C 3.44Å; R289-A296 WeakPolarHBondContact O-CA 3.47Å; V290-A296 HydrophobicContact CG2-CB 4.37Å
297R82.1Confident67.1Low169 Ų169106.6 Ų106.664%0.63856%0.555SS**EExtended strand (participates in β ladder)trans-124.1131.3173-69.8-170.1-176.4-170.1-1110.7R289 Y291R289-R297 PolarHBondContact N-O 3.32Å; R289-R297 PolarHBondContact O-N 2.93Å; Y291-R297 HydrophobicContact CE2-CB 4.44Å; Y291-R297 HydrophobicContact CE2-CG 4.05Å
298I79.4Confident64.7Low96 Ų96106.4 Ų106.449%0.49256%0.564SS.*EExtended strand (participates in β ladder)trans-78123.5174.8-56.5168.7000108.4L283L283-I298 HydrophobicContact CD1-CD1 4.02Å; L283-I298 HydrophobicContact CD1-CG1 3.9Å; L283-I298 HydrophobicContact CD2-CD1 3.85Å
299V76.3Confident62.4Low49 Ų49111.4 Ų111.430%0.29759%0.59SS.*EExtended strand (participates in β ladder)trans-95.4103.3172.4-174.30000106.8K287 R289K287-V299 HydrophobicContact CB-CB 4.49Å; K287-V299 PolarHBondContact N-O 3.41Å; K287-V299 WeakPolarHBondContact O-CA 3.41Å; K287-V299 WeakPolarHBondContact O-CB 3.49Å; K287-V299 PolarHBondContact O-N 3.43Å; R289-V299 HydrophobicContact CB-CG2 4.02Å
300R65.4Low60Low191 Ų191116.4 Ų116.472%0.72162%0.617SS**  trans-72.8136.9174.5-68.7-176.8177.6160.2-1.2109.4D302 S303R300-D302 PolarHBondContact O-N 3.43Å; R300-D302 VanDerWaalsContact O-N 3.14Å; R300-S303 PolarHBondContact O-N 3.25Å; R300-S303 PolarHBondContact O-OG 2.89Å
301K59Low57.6Low197 Ų197121.3 Ų121.386%0.85764%0.636SS**THydrogen-bonded Turntrans-59.9-21.7-176-108.9178.1174.5178.40113.3
302D55.6Low55.2Low156 Ų156125.8 Ų125.883%0.83465%0.652SS**THydrogen-bonded Turntrans-98.2-1.9-172.1-51.3-35.4000114.8R300 S304R300-D302 PolarHBondContact O-N 3.43Å; R300-D302 VanDerWaalsContact O-N 3.14Å; D302-S304 PolarHBondContact O-N 2.73Å
303S44.3Very low53.3Low77 Ų77127.4 Ų127.454%0.53866%0.66SS.*SBendtrans-86.292.6165.843.50000108.7R300R300-S303 PolarHBondContact O-N 3.25Å; R300-S303 PolarHBondContact O-OG 2.89Å
304S38Very low51.1Low101 Ų101130.2 Ų130.271%0.70667%0.666SS**  trans-32.4137.3165.550.70000111.5D302 K306D302-S304 PolarHBondContact O-N 2.73Å; S304-K306 PolarHBondContact O-N 2.79Å
305E37.5Very low48.9Very low172 Ų172136.4 Ų136.480%0.80467%0.67SS**  trans-48.780.5-178.6-65.1-174.1137.900113.1K307E305-K307 PolarHBondContact O-N 3.04Å
306K34.7Very low46.4Very low187 Ų187142.7 Ų142.781%0.81369%0.694SS**  trans-7380.2150.4-73.4-175.2-177.5174.60105.1S304S304-K306 PolarHBondContact O-N 2.79Å
307K32.6Very low44.2Very low157 Ų157145.5 Ų145.568%0.68371%0.706SS**  trans-39.4120.5151.9-74.7178.5-178.8171.70104.6E305 L309E305-K307 PolarHBondContact O-N 3.04Å; K307-L309 PolarHBondContact O-N 3.36Å
308P30.1Very low41.8Very low101 Ų101142.7 Ų142.766%0.65671%0.713SS**  trans-51.6121.9175.5-1017000105.1E310P308-E310 PolarHBondContact O-N 2.83Å
309L33.1Very low39.7Very low111 Ų111147.2 Ų147.258%0.58173%0.729SS**  trans-53.891.4177.7-93.4107.8000108.1K307 Q311 R312K307-L309 PolarHBondContact O-N 3.36Å; L309-Q311 HydrophobicContact CD2-CB 4.43Å; L309-Q311 PolarHBondContact O-N 3.22Å; L309-Q311 VanDerWaalsContact O-N 3.09Å; L309-R312 HydrophobicContact CB-CB 3.85Å; L309-R312 HydrophobicContact CB-CG 4.26Å; L309-R312 HydrophobicContact CD2-CB 4.33Å; L309-R312 HydrophobicContact CD2-CG 3.93Å; L309-R312 PolarHBondContact O-N 2.51Å
310E33.8Very low37.8Very low186 Ų186153.5 Ų153.587%0.86975%0.752SS**THydrogen-bonded Turntrans-62-9.2162.2-114.4-179.716300109.7P308P308-E310 PolarHBondContact O-N 2.83Å
311Q31.9Very low36.1Very low163 Ų163150.5 Ų150.576%0.76276%0.755SS**THydrogen-bonded Turntrans-91.9-7.3172.7-66.7-177.4-300115L309L309-Q311 HydrophobicContact CD2-CB 4.43Å; L309-Q311 PolarHBondContact O-N 3.22Å; L309-Q311 VanDerWaalsContact O-N 3.09Å
312R31.6Very low34.9Very low164 Ų164150.6 Ų150.662%0.61975%0.752SS**G310 helixtrans-85.2-8.8173.2-106.5175163.3-160.2-5.6114L309 K314L309-R312 HydrophobicContact CB-CB 3.85Å; L309-R312 HydrophobicContact CB-CG 4.26Å; L309-R312 HydrophobicContact CD2-CB 4.33Å; L309-R312 HydrophobicContact CD2-CG 3.93Å; L309-R312 PolarHBondContact O-N 2.51Å; R312-K314 VanDerWaalsContact C-N 3.29Å; R312-K314 PolarHBondContact O-N 3.19Å
313A35Very low33.6Very low93 Ų93154.9 Ų154.977%0.76976%0.756SS**G310 helixtrans-84.43.9173.200000114.1
314K33.5Very low33.2Very low188 Ų188162.1 Ų162.182%0.81777%0.772SS**G310 helixtrans-102.76.6170.1-69.2-172.3-179.7-178.50113.8R312 Q316R312-K314 VanDerWaalsContact C-N 3.29Å; R312-K314 PolarHBondContact O-N 3.19Å; K314-Q316 PolarHBondContact O-N 3.02Å
315R30.2Very low33.1Very low193 Ų193168.4 Ų168.473%0.72878%0.78SS**SBendtrans-68.6117.7164.8-80.4-174.6154.2-160.8-8.3107.7
316Q30.5Very low33.1Very low179 Ų179165 Ų16584%0.83677%0.773SS**  trans-40.6140.6178.6-66.8178.6-9.500110.9K314 S318K314-Q316 PolarHBondContact O-N 3.02Å; Q316-S318 PolarHBondContact O-N 3.27Å
317P33Very low33.5Very low125 Ų125160.7 Ų160.781%0.81277%0.772SS**  trans-62.7104176.626.9-30.7000107.6K319P317-K319 PolarHBondContact O-N 3.23Å; P317-K319 VanDerWaalsContact O-N 3.11Å
318S33.3Very low34Very low111 Ų111164.1 Ų164.178%0.77678%0.781SS**  trans-48.2123.9163.659.40000106.4Q316 K320Q316-S318 PolarHBondContact O-N 3.27Å; S318-K320 PolarHBondContact O-N 3.41Å
319K35.6Very low34.6Very low191 Ų191170.4 Ų170.483%0.8379%0.791SS**  trans-29.5122.1-180-69.4172.8176.5176.10109.9P317 T321P317-K319 PolarHBondContact O-N 3.23Å; P317-K319 VanDerWaalsContact O-N 3.11Å; K319-T321 VanDerWaalsContact C-N 3.31Å; K319-T321 PolarHBondContact O-N 3.29Å
320K34.7Very low35.2Very low181 Ų181173.1 Ų173.179%0.78780%0.799SS**  trans-50.898.5172.7-76.7175.3176174.80108.4S318 Y322S318-K320 PolarHBondContact O-N 3.41Å; K320-Y322 VanDerWaalsContact C-N 3.3Å; K320-Y322 PolarHBondContact O-N 3.23Å
321T30.8Very low35.8Very low128 Ų128167.8 Ų167.879%0.78579%0.787SS**  trans-66101159.6-40.30000104.6K319 W323K319-T321 VanDerWaalsContact C-N 3.31Å; K319-T321 PolarHBondContact O-N 3.29Å; T321-W323 PolarHBondContact O-N 3.31Å; T321-W323 VanDerWaalsContact O-N 3.09Å
322Y33.9Very low36.8Very low198 Ų198170.3 Ų170.378%0.77679%0.789SS**  trans-55.8117.9166.5-87.6-101.3000106.3K320 R324K320-Y322 VanDerWaalsContact C-N 3.3Å; K320-Y322 PolarHBondContact O-N 3.23Å; Y322-R324 PolarHBondContact O-N 3.28Å
323W28.1Very low37.7Very low247 Ų247170.2 Ų170.294%0.93679%0.793SS**  trans-58.993.4160.6-76.893.8000106.7T321 R325T321-W323 PolarHBondContact O-N 3.31Å; T321-W323 VanDerWaalsContact O-N 3.09Å; W323-R325 PolarHBondContact O-N 3.44Å; W323-R325 VanDerWaalsContact O-N 3.1Å
324R35.5Very low38.6Very low229 Ų229172.6 Ų172.686%0.86479%0.788SS**  trans-59113.2158.2-89-171.4169.7-133.30.5104.9Y322Y322-R324 PolarHBondContact O-N 3.28Å
325R35.9Very low39.6Very low232 Ų232166.7 Ų166.788%0.87578%0.775SS**  trans-49.1128.6163.2-83.5179.9161-175.6-5.5106.7W323 A327W323-R325 PolarHBondContact O-N 3.44Å; W323-R325 VanDerWaalsContact O-N 3.1Å; R325-A327 PolarHBondContact O-N 2.91Å
326P37.3Very low41Very low101 Ų101161 Ų16166%0.65676%0.762SS**  trans-55129.8170.4-18.729.5000107.7R328P326-R328 HydrophobicContact CB-CG 4.27Å; P326-R328 PolarHBondContact O-N 3.04Å
327A43.6Very low42.3Very low97 Ų97155.3 Ų155.380%0.80275%0.745SS**  trans-67.376.2171.600000108.7R325R325-A327 PolarHBondContact O-N 2.91Å
328R42.1Very low43.6Very low229 Ų229156.9 Ų156.986%0.86474%0.739SS**  trans-110.319.5-178.3-90.2-170.3167.5-164.2-3113.6P326P326-R328 HydrophobicContact CB-CG 4.27Å; P326-R328 PolarHBondContact O-N 3.04Å
329R44.2Very low44.9Very low232 Ų232154.3 Ų154.388%0.87573%0.725SS**SBendtrans-134.66.1178.5-107.3-176.3166-166.1-5.4117.5
330F44.5Very low46.3Very low169 Ų169151.7 Ų151.774%0.74172%0.715SS**SBendtrans-96-21.8171.5-83.5-82.8000114.1R332 K333F330-R332 VanDerWaalsContact C-N 3.25Å; F330-R332 PolarHBondContact O-N 3.24Å; F330-K333 PolarHBondContact O-N 2.63Å
331A47.5Very low47.7Very low74 Ų74146.1 Ų146.161%0.61270%0.703SS**Hα-helixtrans-67.1-19.3179.100000114.7A335A331-A335 WeakPolarHBondContact O-CB 3.28Å; A331-A335 PolarHBondContact O-N 3.14Å
332R51.3Low49.2Very low215 Ų215147.6 Ų147.681%0.81170%0.701SS**Hα-helixtrans-82.4-16179.5-157172.1178179-1.4113.6F330 T336F330-R332 VanDerWaalsContact C-N 3.25Å; F330-R332 PolarHBondContact O-N 3.24Å; R332-T336 PolarHBondContact O-OG1 3.22Å
333K51.6Low50.6Low163 Ų163143.3 Ų143.371%0.70970%0.696SS**Hα-helixtrans-90.4-30.6175-85-170.6170.7-168.90113F330 T336 A337F330-K333 PolarHBondContact O-N 2.63Å; K333-T336 PolarHBondContact O-OG1 3.18Å; K333-A337 WeakPolarHBondContact O-CB 3.5Å; K333-A337 PolarHBondContact O-N 2.78Å; K333-A337 VanDerWaalsContact O-N 3.11Å
334E53.1Low52.3Low142 Ų142138.6 Ų138.666%0.66469%0.689SS**Hα-helixtrans-76.6-30.6172.7-77.6180148.200112.7A337 K338E334-A337 PolarHBondContact O-N 3.4Å; E334-K338 PolarHBondContact O-N 2.9Å
335A55Low53.3Low64 Ų64134.3 Ų134.353%0.52970%0.703SS.*Hα-helixtrans-68.7-35.3174.400000112.7A331 A339A331-A335 WeakPolarHBondContact O-CB 3.28Å; A331-A335 PolarHBondContact O-N 3.14Å; A335-A339 WeakPolarHBondContact O-CB 3.18Å; A335-A339 PolarHBondContact O-N 3.04Å
336T59Low54.2Low75 Ų75129.5 Ų129.546%0.4669%0.694SS.*Hα-helixtrans-76-35.4173.442.20000112.4R332 K333 K338 A339 E340R332-T336 PolarHBondContact O-OG1 3.22Å; K333-T336 PolarHBondContact O-OG1 3.18Å; T336-K338 VanDerWaalsContact C-N 3.35Å; T336-K338 PolarHBondContact O-N 3.05Å; T336-A339 PolarHBondContact O-N 2.87Å; T336-E340 PolarHBondContact O-N 3.09Å
337A59.2Low55.1Low58 Ų58130.9 Ų130.948%0.47970%0.696SS.*Hα-helixtrans-69.1-30.4176.300000113.2K333 E334 A341K333-A337 WeakPolarHBondContact O-CB 3.5Å; K333-A337 PolarHBondContact O-N 2.78Å; K333-A337 VanDerWaalsContact O-N 3.11Å; E334-A337 PolarHBondContact O-N 3.4Å; A337-A341 WeakPolarHBondContact O-CB 3.16Å; A337-A341 PolarHBondContact O-N 2.9Å
338K60.1Low55.7Low158 Ų158132.8 Ų132.869%0.68769%0.69SS**Hα-helixtrans-79.4-29172.8-78.8-174.6173.7-177.10113.5E334 T336 Q342E334-K338 PolarHBondContact O-N 2.9Å; T336-K338 VanDerWaalsContact C-N 3.35Å; T336-K338 PolarHBondContact O-N 3.05Å; K338-Q342 PolarHBondContact O-N 3Å
339A59.9Low56.5Low58 Ų58127.2 Ų127.248%0.47968%0.68SS.*Hα-helixtrans-70.5-37.4173.700000112.1A335 T336 A341 T343A335-A339 WeakPolarHBondContact O-CB 3.18Å; A335-A339 PolarHBondContact O-N 3.04Å; T336-A339 PolarHBondContact O-N 2.87Å; A339-A341 VanDerWaalsContact C-N 3.34Å; A339-T343 PolarHBondContact O-OG1 3.09Å
340E64Low57.3Low135 Ų135120.6 Ų120.663%0.63167%0.668SS**Hα-helixtrans-75.4-20.3176.8-73.5175.6171.800113.5T336T336-E340 PolarHBondContact O-N 3.09Å
341A64.3Low58.2Low65 Ų65117.4 Ų117.454%0.53766%0.663SS.*Hα-helixtrans-83.3-20.2176.200000113.7A337 A339A337-A341 WeakPolarHBondContact O-CB 3.16Å; A337-A341 PolarHBondContact O-N 2.9Å; A339-A341 VanDerWaalsContact C-N 3.34Å
342Q62.3Low58.9Low159 Ų159120.5 Ų120.574%0.74367%0.667SS**SBendtrans-93.7-7.6177.4-82.9178.9-33.500113.8K338K338-Q342 PolarHBondContact O-N 3Å
343T63.9Low59.5Low108 Ų108113.2 Ų113.266%0.66366%0.656SS**SBendtrans-97.6-4.3171.545.10000113.6A339A339-T343 PolarHBondContact O-OG1 3.09Å
344N63.7Low60.2Low147 Ų147109.1 Ų109.179%0.78665%0.651SS**  trans-117.415.8178.8-77-28.1000113.5
345A57.7Low60.8Low140 Ų140106.1 Ų106.1100%1.15765%0.65SS**  trans-126.90166.700000107.7

Retrieved 345 of 345 residues in 123 ms (Link to these results)

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