A0A087WVP7_HUMAN Loading...

Nudix hydrolase 7

AlphaFold DB , UniProt , Accession A0A087WVP7, Species HUMAN (Homo sapiens, Human), Gene NUDT7, Length 223 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
1M34.3Very low50.8Low242 Ų242130.7 Ų130.7100%1.19270%0.7SS**  0101.60-71.8-162143.100108.2R3M1-R3 PolarHBondContact O-N 2.93Å
2S35Very low52.1Low122 Ų122121.3 Ų121.385%0.85365%0.648SS**  trans-75.2116.6-172.4-34.80000109.2L4S2-L4 PolarHBondContact O-N 3.18Å
3R41.3Very low53.8Low244 Ų244118.6 Ų118.692%0.92163%0.633SS**  trans-64.1114.1168.3-75.6-179.9174.9-174.2-1.9107.6M1 G5M1-R3 PolarHBondContact O-N 2.93Å; R3-G5 VanDerWaalsContact C-N 3.31Å; R3-G5 PolarHBondContact O-N 3.41Å
4L42.4Very low55.9Low171 Ų171113.9 Ų113.990%0.89561%0.614SS**  trans-61.996.6163.7-83.6153.4000107.1S2 L6S2-L4 PolarHBondContact O-N 3.18Å; L4-L6 PolarHBondContact O-N 3.26Å
5G45.9Very low57.9Low68 Ų68109.7 Ų109.770%0.70159%0.591SS**PPolyproline II helixtrans-65.8129.5176.400000109.5R3R3-G5 VanDerWaalsContact C-N 3.31Å; R3-G5 PolarHBondContact O-N 3.41Å
6L49.6Very low59.8Low142 Ų142104.3 Ų104.374%0.74356%0.562SS**PPolyproline II helixtrans-47.1138.8162.6-79.2156.7000108.4L4 E8L4-L6 PolarHBondContact O-N 3.26Å; L6-E8 PolarHBondContact O-N 3.23Å
7P53.5Low61.5Low21 Ų21103.8 Ų103.814%0.13656%0.558CS.*PPolyproline II helixtrans-54.5131.6173.626.1-36.7000108.8E9 R12P7-E9 PolarHBondContact O-N 3.47Å; P7-R12 PolarHBondContact O-NH2 3.37Å
8E63.4Low63.2Low152 Ų152102.9 Ų102.971%0.7155%0.554SS**PPolyproline II helixtrans-50.7133.3175.4-67.4-174.2161.100109.2L6 P10 V11 R12L6-E8 PolarHBondContact O-N 3.23Å; E8-P10 VanDerWaalsContact C-N 3.27Å; E8-P10 HydrophobicContact CB-CG 4.12Å; E8-P10 VanDerWaalsContact O-N 3.07Å; E8-V11 PolarHBondContact O-N 3.13Å; E8-R12 PolarHBondContact O-N 2.91Å
9E61.1Low64.7Low116 Ų11697.6 Ų97.654%0.54253%0.526SS..Hα-helixtrans-41.5-41.7-179-71.8-160.8141.300115.7P7 V11 R12 N13 H115P7-E9 PolarHBondContact O-N 3.47Å; E9-V11 PolarHBondContact O-N 3.42Å; E9-R12 WeakPolarHBondContact O-CB 3.4Å; E9-R12 PolarHBondContact O-N 3.4Å; E9-N13 PolarHBondContact O-N 2.87Å; E9-N13 VanDerWaalsContact O-N 3.08Å; E9-H115 IonicContact OE1-CE1 2.77Å; E9-H115 IonicContact OE1-NE2 3.56Å
10P64.3Low66Low88 Ų8894.4 Ų94.457%0.57151%0.507SS*.Hα-helixtrans-60.4-40.1177.719.8-33.8000114.1E8 R12 S14E8-P10 VanDerWaalsContact C-N 3.27Å; E8-P10 HydrophobicContact CB-CG 4.12Å; E8-P10 VanDerWaalsContact O-N 3.07Å; P10-R12 VanDerWaalsContact C-N 3.27Å; P10-R12 PolarHBondContact O-N 3.43Å; P10-S14 PolarHBondContact O-N 3.28Å; P10-S14 PolarHBondContact O-OG 3.42Å
11V68Low67.3Low72 Ų7292.5 Ų92.544%0.43650%0.504SS..Hα-helixtrans-68.9-30.2179.4-179.40000111.1E8 E9 S14 L15E8-V11 PolarHBondContact O-N 3.13Å; E9-V11 PolarHBondContact O-N 3.42Å; V11-S14 PolarHBondContact O-OG 2.97Å; V11-L15 WeakPolarHBondContact O-CG 3.46Å; V11-L15 PolarHBondContact O-N 3.03Å
12R65.9Low70.1Confident18 Ų1884.5 Ų84.57%0.06846%0.461CS..Hα-helixtrans-73.7-45.1178.9-168.3-176.7-53.4161.26.7112.1P7 E8 E9 P10 S14 L15 L16 A48 H115P7-R12 PolarHBondContact O-NH2 3.37Å; E8-R12 PolarHBondContact O-N 2.91Å; E9-R12 WeakPolarHBondContact O-CB 3.4Å; E9-R12 PolarHBondContact O-N 3.4Å; P10-R12 VanDerWaalsContact C-N 3.27Å; P10-R12 PolarHBondContact O-N 3.43Å; R12-S14 VanDerWaalsContact C-N 3.32Å; R12-L15 PolarHBondContact O-N 3.19Å; R12-L16 PolarHBondContact O-N 3.39Å; R12-A48 HydrophobicContact CG-CB 3.54Å; R12-H115 PolarHBondContact NH1-CD2 3.22Å; R12-H115 PolarHBondContact NH1-ND1 3.41Å
13N74.3Confident72.7Confident86 Ų8679 Ų7946%0.4642%0.421SS..Hα-helixtrans-65.4-39.2-179.6-70.6-19.1000110.7E9 L15 L16 D17E9-N13 PolarHBondContact O-N 2.87Å; E9-N13 VanDerWaalsContact O-N 3.08Å; N13-L15 PolarHBondContact O-N 3.08Å; N13-L16 PolarHBondContact O-N 3.03Å; N13-D17 WeakPolarHBondContact O-CB 3.48Å; N13-D17 PolarHBondContact O-N 3.34Å
14S83.6Confident75.1Confident52 Ų5273.7 Ų73.736%0.36440%0.401SS..Hα-helixtrans-61.6-42.2174.963.70000113P10 V11 R12 L16 D17 D18P10-S14 PolarHBondContact O-N 3.28Å; P10-S14 PolarHBondContact O-OG 3.42Å; V11-S14 PolarHBondContact O-OG 2.97Å; R12-S14 VanDerWaalsContact C-N 3.32Å; S14-L16 PolarHBondContact O-N 3.34Å; S14-D17 PolarHBondContact O-N 3.05Å; S14-D18 WeakPolarHBondContact O-CB 3.34Å; S14-D18 VanDerWaalsContact O-CG 3.32Å; S14-D18 PolarHBondContact O-N 2.94Å
15L86.8Confident77.3Confident51 Ų5172.5 Ų72.527%0.26739%0.389SS..Hα-helixtrans-60.4-42.7177.5-75.5170.7000113V11 R12 N13 A19 G51V11-L15 WeakPolarHBondContact O-CG 3.46Å; V11-L15 PolarHBondContact O-N 3.03Å; R12-L15 PolarHBondContact O-N 3.19Å; N13-L15 PolarHBondContact O-N 3.08Å; L15-A19 WeakPolarHBondContact O-CB 3.33Å; L15-A19 PolarHBondContact O-N 3.05Å; L15-A19 VanDerWaalsContact O-N 3.08Å; L15-G51 WeakPolarHBondContact CD1-O 3.39Å
16L86.8Confident79.3Confident24 Ų2472.1 Ų72.113%0.12637%0.367CS..Hα-helixtrans-72.9-36.5179.4-70.1172.7000111.7R12 N13 S14 A19 K20 A48 L53 L112R12-L16 PolarHBondContact O-N 3.39Å; N13-L16 PolarHBondContact O-N 3.03Å; S14-L16 PolarHBondContact O-N 3.34Å; L16-A19 PolarHBondContact O-N 3.41Å; L16-K20 WeakPolarHBondContact O-CB 3.48Å; L16-K20 PolarHBondContact O-N 3.17Å; L16-A48 HydrophobicContact CD1-CB 4.25Å; L16-A48 HydrophobicContact CD2-CB 4.26Å; L16-A48 HydrophobicContact CG-CB 4.14Å; L16-L53 HydrophobicContact CD2-CD2 3.71Å; L16-L53 HydrophobicContact CG-CD2 4.5Å; L16-L112 HydrophobicContact CB-CD1 4.43Å; L16-L112 HydrophobicContact CD2-CB 4.39Å; L16-L112 HydrophobicContact CD2-CD2 4Å
17D89.3Confident81Confident95 Ų9568.4 Ų68.451%0.50835%0.348SS..Hα-helixtrans-67.8-40.7176.2-75.7-29.9000112.1N13 S14 K20 A21N13-D17 WeakPolarHBondContact O-CB 3.48Å; N13-D17 PolarHBondContact O-N 3.34Å; S14-D17 PolarHBondContact O-N 3.05Å; D17-K20 WeakPolarHBondContact O-CB 3.28Å; D17-K20 PolarHBondContact O-N 2.96Å; D17-A21 WeakPolarHBondContact O-CB 3.4Å; D17-A21 PolarHBondContact O-N 2.91Å
18D91.5Very high82.4Confident89 Ų8969.2 Ų69.248%0.47635%0.35SS..Hα-helixtrans-63.7-45.6174.1-75.8-16000111.4S14 K20 A21 R22S14-D18 WeakPolarHBondContact O-CB 3.34Å; S14-D18 VanDerWaalsContact O-CG 3.32Å; S14-D18 PolarHBondContact O-N 2.94Å; D18-K20 VanDerWaalsContact C-N 3.29Å; D18-K20 PolarHBondContact O-N 3.14Å; D18-A21 PolarHBondContact O-N 2.87Å; D18-R22 WeakPolarHBondContact O-CG 3.08Å; D18-R22 PolarHBondContact O-N 3.43Å
19A91.9Very high83.4Confident2 Ų263.8 Ų63.82%0.01734%0.335CS..Hα-helixtrans-58.1-44.5174.500000111L15 L16 A21 R22 L23 L53 I188L15-A19 WeakPolarHBondContact O-CB 3.33Å; L15-A19 PolarHBondContact O-N 3.05Å; L15-A19 VanDerWaalsContact O-N 3.08Å; L16-A19 PolarHBondContact O-N 3.41Å; A19-A21 PolarHBondContact O-N 3.27Å; A19-R22 PolarHBondContact O-N 3.32Å; A19-L23 WeakPolarHBondContact O-CB 3.36Å; A19-L23 WeakPolarHBondContact O-CD1 3.37Å; A19-L23 WeakPolarHBondContact O-CG 3.39Å; A19-L23 PolarHBondContact O-N 3.21Å; A19-L53 HydrophobicContact CB-CD1 3.93Å; A19-I188 HydrophobicContact CB-CD1 4.19Å; A19-I188 HydrophobicContact CB-CG1 4.32Å; A19-I188 HydrophobicContact CB-CG2 3.9Å
20K91.1Very high84.4Confident33 Ų3360.7 Ų60.714%0.14333%0.334CS..Hα-helixtrans-59.8-45.9176.1-166.6-178.1-174.9177.50112.1L16 D17 D18 R22 L23 R24 L112L16-K20 WeakPolarHBondContact O-CB 3.48Å; L16-K20 PolarHBondContact O-N 3.17Å; D17-K20 WeakPolarHBondContact O-CB 3.28Å; D17-K20 PolarHBondContact O-N 2.96Å; D18-K20 VanDerWaalsContact C-N 3.29Å; D18-K20 PolarHBondContact O-N 3.14Å; K20-R22 VanDerWaalsContact C-N 3.3Å; K20-R22 PolarHBondContact O-N 3.14Å; K20-L23 PolarHBondContact O-N 3.14Å; K20-R24 WeakPolarHBondContact O-CG 3.3Å; K20-R24 PolarHBondContact O-N 3.09Å; K20-L112 HydrophobicContact CB-CD1 3.9Å; K20-L112 HydrophobicContact CD-CD1 4.21Å; K20-L112 HydrophobicContact CG-CD1 4.16Å
21A92.8Very high85.4Confident55 Ų5561.1 Ų61.146%0.45533%0.327SS..Hα-helixtrans-61.5-39.5-179.800000111.7D17 D18 A19D17-A21 WeakPolarHBondContact O-CB 3.4Å; D17-A21 PolarHBondContact O-N 2.91Å; D18-A21 PolarHBondContact O-N 2.87Å; A19-A21 PolarHBondContact O-N 3.27Å
22R93.3Very high86.3Confident74 Ų7458.9 Ų58.928%0.27931%0.311SS..Hα-helixtrans-68.2-47175.6-65.7172.5-166.4-133.4-10.1111.9D18 A19 K20 R24 K25 Y26 I187 I188 E190D18-R22 WeakPolarHBondContact O-CG 3.08Å; D18-R22 PolarHBondContact O-N 3.43Å; A19-R22 PolarHBondContact O-N 3.32Å; K20-R22 VanDerWaalsContact C-N 3.3Å; K20-R22 PolarHBondContact O-N 3.14Å; R22-R24 VanDerWaalsContact C-N 3.32Å; R22-R24 PolarHBondContact O-N 2.82Å; R22-K25 WeakPolarHBondContact O-CB 3.26Å; R22-K25 PolarHBondContact O-N 3.26Å; R22-Y26 WeakPolarHBondContact O-CD2 3.45Å; R22-I187 HydrophobicContact CB-CG2 4.5Å; R22-I188 WeakPolarHBondContact CD-O 3.45Å; R22-I188 PolarHBondContact NE-O 3.35Å; R22-I188 PolarHBondContact NH1-O 3.13Å; R22-E190 IonicContact CZ-OE2 3.99Å; R22-E190 IonicContact NH1-OE1 2.86Å; R22-E190 IonicContact NH1-OE2 2.84Å; R22-E190 PolarHBondContact NH1-OE2 2.91Å; R22-E190 IonicContact NH2-OE2 2.62Å
23L91.1Very high87Confident5 Ų561.4 Ų61.43%0.02633%0.332CS..Hα-helixtrans-61.2-36.3-179.2-73.7165.3000113.2A19 K20 K25 Y26 D27 L46 A94 V110 I187 I188A19-L23 WeakPolarHBondContact O-CB 3.36Å; A19-L23 WeakPolarHBondContact O-CD1 3.37Å; A19-L23 WeakPolarHBondContact O-CG 3.39Å; A19-L23 PolarHBondContact O-N 3.21Å; K20-L23 PolarHBondContact O-N 3.14Å; L23-K25 PolarHBondContact O-N 2.55Å; L23-K25 VanDerWaalsContact O-N 3.11Å; L23-Y26 PolarHBondContact O-N 2.67Å; L23-D27 PolarHBondContact O-N 2.83Å; L23-L46 HydrophobicContact CD1-CD1 4.1Å; L23-A94 HydrophobicContact CB-CB 4.27Å; L23-V110 HydrophobicContact CD1-CB 4.12Å; L23-V110 HydrophobicContact CD1-CG1 3.59Å; L23-V110 HydrophobicContact CD2-CB 4.38Å; L23-V110 HydrophobicContact CD2-CG1 4.32Å; L23-V110 HydrophobicContact CD2-CG2 4.04Å; L23-I187 HydrophobicContact CD2-CG2 3.99Å; L23-I188 HydrophobicContact CD1-CD1 4.08Å; L23-I188 HydrophobicContact CD1-CG1 4.44Å; L23-I188 HydrophobicContact CD2-CD1 4.25Å; L23-I188 HydrophobicContact CD2-CG1 4.19Å; L23-I188 HydrophobicContact CG-CD1 4.23Å; L23-I188 HydrophobicContact CG-CG1 4.1Å
24R90.1Very high87.5Confident133 Ų13363.9 Ų63.950%0.50234%0.34SS..G310 helixtrans-55.7-28.7178.3-79.2175.6-174.7-106.213113.8K20 R22 Y26 D27K20-R24 WeakPolarHBondContact O-CG 3.3Å; K20-R24 PolarHBondContact O-N 3.09Å; R22-R24 VanDerWaalsContact C-N 3.32Å; R22-R24 PolarHBondContact O-N 2.82Å; R24-Y26 PolarHBondContact O-N 2.8Å; R24-D27 PolarHBondContact O-N 3.33Å
25K89.8Confident87.6Confident147 Ų14762.4 Ų62.464%0.63933%0.328SS*.G310 helixtrans-68.2-19.4178.4-60.1178.1-177.2175.40113R22 L23R22-K25 WeakPolarHBondContact O-CB 3.26Å; R22-K25 PolarHBondContact O-N 3.26Å; L23-K25 PolarHBondContact O-N 2.55Å; L23-K25 VanDerWaalsContact O-N 3.11Å
26Y87.9Confident87.6Confident59 Ų5966 Ų6623%0.23136%0.355CS..G310 helixtrans-110.78.3-176.5-60.6-83.3000112.4R22 L23 R24 I28 I187 V204 L205R22-Y26 WeakPolarHBondContact O-CD2 3.45Å; L23-Y26 PolarHBondContact O-N 2.67Å; R24-Y26 PolarHBondContact O-N 2.8Å; Y26-I28 PolarHBondContact O-N 2.81Å; Y26-I187 HydrophobicContact CD1-CD1 4.13Å; Y26-I187 HydrophobicContact CD1-CG1 4.41Å; Y26-I187 HydrophobicContact CD2-CB 4.32Å; Y26-I187 HydrophobicContact CD2-CD1 3.92Å; Y26-I187 HydrophobicContact CD2-CG1 3.91Å; Y26-I187 HydrophobicContact CD2-CG2 3.48Å; Y26-I187 VanDerWaalsContact CD2-CG2 3.48Å; Y26-I187 HydrophobicContact CE1-CG1 4.36Å; Y26-I187 HydrophobicContact CE2-CB 4.2Å; Y26-I187 HydrophobicContact CE2-CD1 4.34Å; Y26-I187 HydrophobicContact CE2-CG1 3.83Å; Y26-I187 HydrophobicContact CE2-CG2 3.56Å; Y26-I187 HydrophobicContact CG-CD1 3.78Å; Y26-I187 HydrophobicContact CG-CG1 4.19Å; Y26-I187 HydrophobicContact CG-CG2 4.41Å; Y26-V204 HydrophobicContact CD1-CG1 4.38Å; Y26-V204 HydrophobicContact CE1-CB 3.84Å; Y26-V204 HydrophobicContact CE1-CG1 4.04Å; Y26-L205 HydrophobicContact CD1-CB 4.24Å; Y26-L205 HydrophobicContact CE1-CB 4.45Å
27D85.5Confident87.4Confident64 Ų6466.1 Ų66.134%0.34235%0.354SS..  trans-74.2106.8177-168.8-24.5000110.1L23 R24 G29 A94 P95L23-D27 PolarHBondContact O-N 2.83Å; R24-D27 PolarHBondContact O-N 3.33Å; D27-G29 VanDerWaalsContact C-N 3.28Å; D27-G29 VanDerWaalsContact OD1-CA 3.32Å; D27-G29 WeakPolarHBondContact OD1-CA 3.4Å; D27-G29 PolarHBondContact OD1-N 2.84Å; D27-A94 HydrophobicContact CB-CB 4.2Å; D27-A94 PolarHBondContact OD2-N 3.33Å; D27-A94 VanDerWaalsContact OD2-N 3.12Å; D27-P95 WeakPolarHBondContact OD1-CD 3.46Å; D27-P95 VanDerWaalsContact OD1-CG 3.23Å; D27-P95 WeakPolarHBondContact OD1-CG 3.45Å
28I82.3Confident87Confident38 Ų3866.3 Ų66.320%0.19536%0.355CS..  trans-85.10.5175.763.4171.7000113.4Y26 K31 Y32 P95 L205Y26-I28 PolarHBondContact O-N 2.81Å; I28-K31 VanDerWaalsContact O-CB 3.23Å; I28-K31 WeakPolarHBondContact O-CB 3.41Å; I28-K31 PolarHBondContact O-N 2.86Å; I28-Y32 HydrophobicContact CD1-CD2 3.81Å; I28-Y32 HydrophobicContact CD1-CE2 3.85Å; I28-P95 HydrophobicContact CD1-CB 4.35Å; I28-P95 HydrophobicContact CG1-CB 3.71Å; I28-P95 HydrophobicContact CG1-CG 3.72Å; I28-L205 HydrophobicContact CG2-CD1 3.76Å
29G84.1Confident86.5Confident38 Ų3867.4 Ų67.439%0.39236%0.355SS..THydrogen-bonded Turntrans50.5-141.5-176.100000113.7D27 K31 P95D27-G29 VanDerWaalsContact C-N 3.28Å; D27-G29 VanDerWaalsContact OD1-CA 3.32Å; D27-G29 WeakPolarHBondContact OD1-CA 3.4Å; D27-G29 PolarHBondContact OD1-N 2.84Å; G29-K31 PolarHBondContact O-N 2.77Å; G29-P95 VanDerWaalsContact N-CG 3.25Å; G29-P95 WeakPolarHBondContact O-CG 3.39Å
30G82.1Confident86.1Confident51 Ų5170 Ų7053%0.52637%0.365SS..THydrogen-bonded Turntrans-81.414.818000000115.2Y32 S33G30-Y32 VanDerWaalsContact C-N 3.28Å; G30-Y32 PolarHBondContact O-N 3.44Å; G30-Y32 VanDerWaalsContact O-N 3.1Å; G30-S33 VanDerWaalsContact O-CB 3.3Å; G30-S33 WeakPolarHBondContact O-CB 3.37Å; G30-S33 PolarHBondContact O-N 2.84Å; G30-S33 PolarHBondContact O-OG 3.2Å
31K86.2Confident85.6Confident97 Ų9770.7 Ų70.742%0.42237%0.374SS..THydrogen-bonded Turntrans-50.3-42.6-167.1-175173.5177.2-178.20113.8I28 G29 H34 E209I28-K31 VanDerWaalsContact O-CB 3.23Å; I28-K31 WeakPolarHBondContact O-CB 3.41Å; I28-K31 PolarHBondContact O-N 2.86Å; G29-K31 PolarHBondContact O-N 2.77Å; K31-H34 PolarHBondContact O-CE1 2.89Å; K31-H34 PolarHBondContact O-ND1 3.41Å; K31-E209 WeakPolarHBondContact CE-OE1 3.38Å; K31-E209 IonicContact NZ-OE1 3.86Å; K31-E209 PolarHBondContact NZ-OE1 2.77Å; K31-E209 IonicContact NZ-OE2 3.97Å; K31-E209 PolarHBondContact NZ-OE2 2.73Å
32Y85.4Confident85.1Confident25 Ų2569.1 Ų69.110%0.09836%0.358CS..THydrogen-bonded Turntrans-1058-179.8-52.4-65.6000114.2I28 G30 H34 L35 E209 F212 L213I28-Y32 HydrophobicContact CD1-CD2 3.81Å; I28-Y32 HydrophobicContact CD1-CE2 3.85Å; G30-Y32 VanDerWaalsContact C-N 3.28Å; G30-Y32 PolarHBondContact O-N 3.44Å; G30-Y32 VanDerWaalsContact O-N 3.1Å; Y32-H34 PolarHBondContact O-N 3.23Å; Y32-L35 HydrophobicContact CD1-CD1 4.19Å; Y32-L35 HydrophobicContact CG-CD1 4.47Å; Y32-L35 PolarHBondContact O-N 2.86Å; Y32-E209 WeakPolarHBondContact OH-CG 3.17Å; Y32-E209 PolarHBondContact OH-OE1 2.86Å; Y32-F212 HydrophobicContact CD1-CD1 4.24Å; Y32-F212 AromaticContact CD1-CE1 3.46Å; Y32-F212 HydrophobicContact CD1-CE1 3.46Å; Y32-F212 VanDerWaalsContact CD1-CE1 3.46Å; Y32-F212 HydrophobicContact CD1-CZ 4.19Å; Y32-F212 HydrophobicContact CD2-CD1 4.36Å; Y32-F212 HydrophobicContact CD2-CE1 4.02Å; Y32-F212 HydrophobicContact CD2-CZ 4.48Å; Y32-F212 HydrophobicContact CE1-CD1 4.04Å; Y32-F212 AromaticContact CE1-CE1 3.68Å; Y32-F212 HydrophobicContact CE1-CE1 3.68Å; Y32-F212 HydrophobicContact CE2-CD1 4.18Å; Y32-F212 HydrophobicContact CE2-CE1 4.22Å; Y32-F212 HydrophobicContact CG-CD1 4.39Å; Y32-F212 AromaticContact CG-CE1 3.64Å; Y32-F212 HydrophobicContact CG-CE1 3.64Å; Y32-F212 HydrophobicContact CG-CZ 4.03Å; Y32-L213 HydrophobicContact CE1-CD2 4.29Å
33S81.1Confident84.8Confident71 Ų7167 Ų6750%0.49735%0.353SS..THydrogen-bonded Turntrans-67.8-19-174.868.20000113.5G30 K39G30-S33 VanDerWaalsContact O-CB 3.3Å; G30-S33 WeakPolarHBondContact O-CB 3.37Å; G30-S33 PolarHBondContact O-N 2.84Å; G30-S33 PolarHBondContact O-OG 3.2Å; S33-K39 VanDerWaalsContact O-CE 3.29Å; S33-K39 WeakPolarHBondContact O-CE 3.22Å; S33-K39 PolarHBondContact O-NZ 3.05Å
34H85.6Confident84.7Confident138 Ų13866.8 Ų66.864%0.63935%0.351SS*.THydrogen-bonded Turntrans-84-12.9-179.363.9-88.6000113.8K31 Y32K31-H34 PolarHBondContact O-CE1 2.89Å; K31-H34 PolarHBondContact O-ND1 3.41Å; Y32-H34 PolarHBondContact O-N 3.23Å
35L85.1Confident84.8Confident21 Ų2160.5 Ų60.511%0.1133%0.328CS..SBendtrans-64.3144.7-176.9-63177.1000111.9Y32 Y37 K39 F212Y32-L35 HydrophobicContact CD1-CD1 4.19Å; Y32-L35 HydrophobicContact CG-CD1 4.47Å; Y32-L35 PolarHBondContact O-N 2.86Å; L35-Y37 HydrophobicContact CB-CD2 3.71Å; L35-Y37 HydrophobicContact CB-CE2 4.04Å; L35-Y37 HydrophobicContact CD1-CD2 4.46Å; L35-Y37 HydrophobicContact CD1-CE2 4.18Å; L35-Y37 PolarHBondContact O-N 2.86Å; L35-K39 WeakPolarHBondContact O-CE 3.42Å; L35-K39 PolarHBondContact O-NZ 3.01Å; L35-K39 VanDerWaalsContact O-NZ 3.16Å; L35-F212 HydrophobicContact CD1-CE1 4.18Å; L35-F212 HydrophobicContact CD1-CZ 3.79Å
36P85.8Confident84.9Confident128 Ų12853.5 Ų53.583%0.83130%0.297SS*.SBendtrans-83.754-172.136.1-37.9000113
37Y82.8Confident85Confident25 Ų2551.5 Ų51.510%0.09829%0.292CS..SBendtrans-102.9162.6175.8-72.8-76.4000112.3L35 K39 E100 L105 H216L35-Y37 HydrophobicContact CB-CD2 3.71Å; L35-Y37 HydrophobicContact CB-CE2 4.04Å; L35-Y37 HydrophobicContact CD1-CD2 4.46Å; L35-Y37 HydrophobicContact CD1-CE2 4.18Å; L35-Y37 PolarHBondContact O-N 2.86Å; Y37-K39 PolarHBondContact O-N 3.4Å; Y37-E100 PolarHBondContact OH-OE1 2.94Å; Y37-L105 HydrophobicContact CD2-CB 4.12Å; Y37-L105 HydrophobicContact CD2-CD2 4.49Å; Y37-L105 HydrophobicContact CG-CB 3.94Å; Y37-H216 AromaticContact CE2-CE1 3.56Å; Y37-H216 AromaticContact CE2-ND1 3.41Å; Y37-H216 WeakPolarHBondContact CE2-ND1 3.47Å; Y37-H216 AromaticContact CZ-CE1 3.81Å; Y37-H216 AromaticContact CZ-ND1 3.51Å; Y37-H216 PolarHBondContact OH-CE1 2.82Å; Y37-H216 PolarHBondContact OH-ND1 3.19Å
38N80.8Confident85.3Confident99 Ų9948.9 Ų48.953%0.52928%0.278SS..EExtended strand (participates in β ladder)trans-66.4117.1159.9-67.4-52.7000109.1Y40 D103 T104 L105N38-Y40 HydrophobicContact CB-CE2 4.19Å; N38-D103 VanDerWaalsContact CB-O 3.32Å; N38-D103 WeakPolarHBondContact CB-O 3.45Å; N38-D103 PolarHBondContact N-O 3.44Å; N38-D103 PolarHBondContact ND2-O 2.92Å; N38-T104 CarbonylContact O-C 3.51Å; N38-T104 VanDerWaalsContact O-CA 3.24Å; N38-T104 WeakPolarHBondContact O-CA 3.35Å; N38-L105 PolarHBondContact O-N 2.94Å
39K81.4Confident85.5Confident113 Ų11350 Ų5049%0.49128%0.282SS..EExtended strand (participates in β ladder)trans-97.2129.4-170.1-68.9166.6-166.3168.40111.7S33 L35 Y37 L105S33-K39 VanDerWaalsContact O-CE 3.29Å; S33-K39 WeakPolarHBondContact O-CE 3.22Å; S33-K39 PolarHBondContact O-NZ 3.05Å; L35-K39 WeakPolarHBondContact O-CE 3.42Å; L35-K39 PolarHBondContact O-NZ 3.01Å; L35-K39 VanDerWaalsContact O-NZ 3.16Å; Y37-K39 PolarHBondContact O-N 3.4Å; K39-L105 WeakPolarHBondContact CA-O 3.39Å
40Y83.3Confident85.6Confident57 Ų5753.3 Ų53.322%0.22429%0.287CS..EExtended strand (participates in β ladder)trans-125.4155.8170.6-66.7-101.8000109.2N38 P70 T104 L105 I106 T107N38-Y40 HydrophobicContact CB-CE2 4.19Å; Y40-P70 WeakPolarHBondContact OH-CD 3.27Å; Y40-P70 WeakPolarHBondContact OH-CG 3.37Å; Y40-T104 HydrophobicContact CD2-CG2 3.34Å; Y40-T104 HydrophobicContact CE2-CG2 3.65Å; Y40-T104 HydrophobicContact CG-CG2 4.34Å; Y40-L105 PolarHBondContact N-O 2.94Å; Y40-I106 WeakPolarHBondContact O-CA 3.46Å; Y40-T107 PolarHBondContact O-N 2.91Å
41S80.9Confident85.9Confident47 Ų4752.4 Ų52.433%0.32928%0.278SS..EExtended strand (participates in β ladder)trans-134140.8176.9-57.50000109.6T107S41-T107 VanDerWaalsContact CA-O 3.29Å; S41-T107 WeakPolarHBondContact CA-O 3.32Å
42V83.2Confident86.2Confident21 Ų2154.3 Ų54.313%0.12729%0.286CS..EExtended strand (participates in β ladder)trans-126.1135.5-179.8-650000108.9L44 F80 I106 T107 P108 F109 L180V42-L44 HydrophobicContact CG2-CD1 4.46Å; V42-F80 HydrophobicContact CB-CB 3.76Å; V42-F80 HydrophobicContact CB-CD2 4.42Å; V42-F80 HydrophobicContact CB-CG 4.49Å; V42-F80 HydrophobicContact CG1-CB 4.43Å; V42-F80 HydrophobicContact CG2-CD2 4.39Å; V42-I106 HydrophobicContact CG1-CG2 3.94Å; V42-I106 HydrophobicContact CG2-CG2 3.89Å; V42-T107 PolarHBondContact N-O 3.49Å; V42-T107 VanDerWaalsContact N-O 3.17Å; V42-P108 HydrophobicContact CG2-CB 3.64Å; V42-P108 CarbonylContact O-C 3.59Å; V42-P108 WeakPolarHBondContact O-CA 3.35Å; V42-F109 PolarHBondContact O-N 3.02Å; V42-L180 HydrophobicContact CG2-CD1 4.26Å
43L86.3Confident86.6Confident30 Ų3053.9 Ų53.916%0.15729%0.285CS..EExtended strand (participates in β ladder)trans-97.1128.6175.8-177.568.4000110.2P45 F80 L81 F109L43-P45 WeakPolarHBondContact O-CD 3.36Å; L43-F80 WeakPolarHBondContact O-CB 3.4Å; L43-F80 WeakPolarHBondContact O-CD1 3.26Å; L43-F80 VanDerWaalsContact O-CG 3.26Å; L43-F80 WeakPolarHBondContact O-CG 3.42Å; L43-L81 HydrophobicContact CB-CB 4.34Å; L43-L81 WeakPolarHBondContact CB-O 3.1Å; L43-L81 HydrophobicContact CD2-CB 4.48Å; L43-L81 HydrophobicContact CD2-CD1 4.46Å; L43-L81 PolarHBondContact N-O 3.08Å; L43-F109 CarbonylContact C-O 3.56Å; L43-F109 WeakPolarHBondContact CA-O 3.33Å; L43-F109 HydrophobicContact CD1-CB 4.38Å
44L90.1Very high87.3Confident0 Ų051.2 Ų51.20%027%0.265CS..EExtended strand (participates in β ladder)trans-96.986.2169.6-67.494.8000109.2V42 L46 L55 F80 P108 F109 V110 G111 L180 V184V42-L44 HydrophobicContact CG2-CD1 4.46Å; L44-L46 PolarHBondContact O-N 3.5Å; L44-L55 HydrophobicContact CB-CD2 4.25Å; L44-F80 HydrophobicContact CB-CD1 4.3Å; L44-F80 HydrophobicContact CB-CE1 4.08Å; L44-F80 HydrophobicContact CB-CZ 4.46Å; L44-F80 HydrophobicContact CD1-CD2 4.44Å; L44-F80 HydrophobicContact CD1-CE2 4.45Å; L44-F80 HydrophobicContact CD2-CD2 4.43Å; L44-F80 HydrophobicContact CD2-CE1 3.85Å; L44-F80 HydrophobicContact CD2-CE2 3.69Å; L44-F80 HydrophobicContact CD2-CZ 3.36Å; L44-F80 HydrophobicContact CG-CD1 3.87Å; L44-F80 HydrophobicContact CG-CD2 4.03Å; L44-F80 HydrophobicContact CG-CE1 3.61Å; L44-F80 HydrophobicContact CG-CE2 3.77Å; L44-F80 HydrophobicContact CG-CG 4.08Å; L44-F80 HydrophobicContact CG-CZ 3.56Å; L44-P108 HydrophobicContact CD1-CB 3.52Å; L44-F109 PolarHBondContact N-O 3.37Å; L44-V110 HydrophobicContact CB-CG2 4.27Å; L44-G111 PolarHBondContact O-N 3.48Å; L44-L180 HydrophobicContact CD2-CB 3.81Å; L44-V184 HydrophobicContact CD2-CG2 3.72Å
45P91.4Very high87.7Confident1 Ų144.7 Ų44.71%0.00624%0.235CC..EExtended strand (participates in β ladder)trans-71.6112.2-179.228.4-37.1000111.3L43 L55 L56 G111 I113L43-P45 WeakPolarHBondContact O-CD 3.36Å; P45-L55 WeakPolarHBondContact O-CA 3.22Å; P45-L56 HydrophobicContact CB-CB 4.07Å; P45-L56 HydrophobicContact CG-CB 3.59Å; P45-L56 HydrophobicContact CG-CD2 3.9Å; P45-L56 HydrophobicContact CG-CG 4.32Å; P45-L56 VanDerWaalsContact CG-O 3.26Å; P45-L56 WeakPolarHBondContact CG-O 3.48Å; P45-L56 PolarHBondContact O-N 2.54Å; P45-G111 CarbonylContact C-O 3.53Å; P45-G111 WeakPolarHBondContact CA-O 3.41Å; P45-I113 HydrophobicContact CB-CD1 3.92Å; P45-I113 HydrophobicContact CB-CG1 3.48Å; P45-I113 VanDerWaalsContact CB-CG1 3.48Å
46L91.4Very high88.1Confident0 Ų044.1 Ų44.10%023%0.232CC..EExtended strand (participates in β ladder)trans-89.4125.7168.9-72.9168.3000110.2L23 L44 H54 L55 V110 G111 L112 I113 L134 V184 I188L23-L46 HydrophobicContact CD1-CD1 4.1Å; L44-L46 PolarHBondContact O-N 3.5Å; L46-H54 WeakPolarHBondContact CA-O 3.23Å; L46-L55 HydrophobicContact CD2-CD2 3.66Å; L46-L55 HydrophobicContact CD2-CG 4.07Å; L46-L55 HydrophobicContact CG-CD2 4.11Å; L46-V110 HydrophobicContact CD1-CG1 3.42Å; L46-V110 VanDerWaalsContact CD1-CG1 3.42Å; L46-V110 HydrophobicContact CG-CG1 4.03Å; L46-G111 PolarHBondContact N-O 2.91Å; L46-L112 HydrophobicContact CB-CD2 4.04Å; L46-L112 HydrophobicContact CD1-CD2 3.88Å; L46-I113 WeakPolarHBondContact O-CB 3.32Å; L46-I113 PolarHBondContact O-N 3.32Å; L46-L134 HydrophobicContact CD2-CD1 4.27Å; L46-L134 HydrophobicContact CD2-CD2 4.16Å; L46-V184 HydrophobicContact CD1-CG1 4.4Å; L46-V184 HydrophobicContact CD2-CG1 4.31Å; L46-I188 HydrophobicContact CD1-CD1 3.37Å; L46-I188 HydrophobicContact CD2-CD1 4.17Å; L46-I188 HydrophobicContact CG-CD1 4.42Å
47V90.4Very high88.3Confident18 Ų1838 Ų3811%0.10919%0.193CC..EExtended strand (participates in β ladder)trans-120.1131.4179.4-176.10000108.4H54 L56 I113 L131V47-H54 PolarHBondContact N-O 3.29Å; V47-H54 PolarHBondContact O-N 3.48Å; V47-L56 HydrophobicContact CG2-CB 4.2Å; V47-I113 HydrophobicContact CG2-CB 3.95Å; V47-I113 HydrophobicContact CG2-CG1 4.29Å; V47-I113 HydrophobicContact CG2-CG2 4.26Å; V47-L131 HydrophobicContact CB-CD2 4.39Å; V47-L131 HydrophobicContact CG2-CD2 4.12Å
48A91.3Very high88.5Confident8 Ų837.1 Ų37.17%0.06619%0.19CC..EExtended strand (participates in β ladder)trans-90.7111.5170.300000109.8R12 L16 L53R12-A48 HydrophobicContact CG-CB 3.54Å; L16-A48 HydrophobicContact CD1-CB 4.25Å; L16-A48 HydrophobicContact CD2-CB 4.26Å; L16-A48 HydrophobicContact CG-CB 4.14Å; A48-L53 HydrophobicContact CB-CD2 4.23Å
49K87.8Confident88.8Confident61 Ų6134.3 Ų34.327%0.26518%0.176SC..EExtended strand (participates in β ladder)trans-130.9134.7178.3-175.7-179174.3-168.40108.3G51 K52 H54 L131 E166K49-G51 PolarHBondContact O-N 3.41Å; K49-G51 VanDerWaalsContact O-N 3.14Å; K49-K52 PolarHBondContact N-O 3.28Å; K49-K52 PolarHBondContact O-N 3.35Å; K49-H54 PolarHBondContact O-CE1 2.85Å; K49-H54 VanDerWaalsContact O-CE1 3.26Å; K49-L131 HydrophobicContact CD-CD1 3.79Å; K49-E166 IonicContact NZ-OE1 2.66Å; K49-E166 PolarHBondContact NZ-OE1 3.34Å; K49-E166 IonicContact NZ-OE2 2.67Å
50E85.9Confident88.8Confident109 Ų10934.1 Ų34.151%0.50917%0.172SC..THydrogen-bonded Turntrans53.537.1175.9-66.4166.1-146.700114.9K52E50-K52 PolarHBondContact O-N 2.97Å
51G87Confident88.5Confident32 Ų3233 Ų3333%0.3317%0.172SC..THydrogen-bonded Turntrans72.212.1179.400000113.7L15 K49L15-G51 WeakPolarHBondContact CD1-O 3.39Å; K49-G51 PolarHBondContact O-N 3.41Å; K49-G51 VanDerWaalsContact O-N 3.14Å
52K92.8Very high87.9Confident136 Ų13638.3 Ų38.359%0.59119%0.192SC*.EExtended strand (participates in β ladder)trans-129.5149.2179.9-61.3174.8-172.1170.20110.8K49 E50 H54K49-K52 PolarHBondContact N-O 3.28Å; K49-K52 PolarHBondContact O-N 3.35Å; E50-K52 PolarHBondContact O-N 2.97Å; K52-H54 PolarHBondContact O-ND1 3.45Å
53L94.9Very high86.2Confident16 Ų1645 Ų458%0.08422%0.219CC..EExtended strand (participates in β ladder)trans-79.5137.1171.3-65.7173.5000109.9L16 A19 A48 L134 I188L16-L53 HydrophobicContact CD2-CD2 3.71Å; L16-L53 HydrophobicContact CG-CD2 4.5Å; A19-L53 HydrophobicContact CB-CD1 3.93Å; A48-L53 HydrophobicContact CB-CD2 4.23Å; L53-L134 HydrophobicContact CB-CB 4.15Å; L53-L134 HydrophobicContact CB-CD2 4.05Å; L53-L134 HydrophobicContact CD1-CD2 4.29Å; L53-L134 VanDerWaalsContact O-CB 3.27Å; L53-L134 WeakPolarHBondContact O-CB 3.26Å; L53-L134 PolarHBondContact O-N 3.35Å; L53-I188 HydrophobicContact CD1-CG2 3.59Å
54H94.9Very high84Confident16 Ų1649.3 Ų49.37%0.07425%0.249CC..EExtended strand (participates in β ladder)trans-127.1149.5176.5-63.873.3000109.1L46 V47 K49 K52 L131 V132 P133L46-H54 WeakPolarHBondContact CA-O 3.23Å; V47-H54 PolarHBondContact N-O 3.29Å; V47-H54 PolarHBondContact O-N 3.48Å; K49-H54 PolarHBondContact O-CE1 2.85Å; K49-H54 VanDerWaalsContact O-CE1 3.26Å; K52-H54 PolarHBondContact O-ND1 3.45Å; H54-L131 HydrophobicContact CB-CB 4.23Å; H54-L131 HydrophobicContact CB-CD2 4.47Å; H54-V132 CarbonylContact C-O 3.57Å; H54-V132 VanDerWaalsContact CA-O 3.22Å; H54-V132 WeakPolarHBondContact CA-O 3.08Å; H54-P133 VanDerWaalsContact CD2-CA 3.45Å; H54-P133 WeakPolarHBondContact CD2-CA 3.08Å
55L94.8Very high81.4Confident0 Ų053 Ų530%027%0.274CS..EExtended strand (participates in β ladder)trans-96.4134.6165.6-80.2169.7000109.4L44 P45 L46 F57 L131 V132 L134 F137 A181L44-L55 HydrophobicContact CB-CD2 4.25Å; P45-L55 WeakPolarHBondContact O-CA 3.22Å; L46-L55 HydrophobicContact CD2-CD2 3.66Å; L46-L55 HydrophobicContact CD2-CG 4.07Å; L46-L55 HydrophobicContact CG-CD2 4.11Å; L55-F57 HydrophobicContact CB-CD2 4.23Å; L55-F57 HydrophobicContact CB-CE2 3.41Å; L55-F57 VanDerWaalsContact CB-CE2 3.41Å; L55-F57 HydrophobicContact CB-CZ 3.71Å; L55-F57 HydrophobicContact CD1-CZ 4.08Å; L55-F57 WeakPolarHBondContact O-CD2 3.42Å; L55-L131 WeakPolarHBondContact O-CA 3.36Å; L55-V132 PolarHBondContact N-O 3.28Å; L55-V132 PolarHBondContact O-N 3.16Å; L55-L134 HydrophobicContact CD1-CD1 3.69Å; L55-L134 HydrophobicContact CG-CD1 3.88Å; L55-F137 HydrophobicContact CB-CE2 4.49Å; L55-F137 HydrophobicContact CD1-CD2 4.29Å; L55-F137 HydrophobicContact CD1-CE2 4.03Å; L55-A181 HydrophobicContact CD1-CB 3.8Å
56L92.6Very high78.6Confident10 Ų1062.3 Ų62.35%0.05232%0.318CS..EExtended strand (participates in β ladder)trans-89.7133.7172.6179.8157.8000110.8P45 V47 T58 L81 F117 V129 L131P45-L56 HydrophobicContact CB-CB 4.07Å; P45-L56 HydrophobicContact CG-CB 3.59Å; P45-L56 HydrophobicContact CG-CD2 3.9Å; P45-L56 HydrophobicContact CG-CG 4.32Å; P45-L56 VanDerWaalsContact CG-O 3.26Å; P45-L56 WeakPolarHBondContact CG-O 3.48Å; P45-L56 PolarHBondContact O-N 2.54Å; V47-L56 HydrophobicContact CG2-CB 4.2Å; L56-T58 HydrophobicContact CD2-CG2 4.41Å; L56-L81 HydrophobicContact CD2-CD1 4.3Å; L56-L81 HydrophobicContact CD2-CG 4.4Å; L56-F117 HydrophobicContact CD1-CE1 4.04Å; L56-V129 HydrophobicContact CD1-CG1 3.91Å; L56-V129 HydrophobicContact CD2-CG1 3.81Å; L56-V129 HydrophobicContact CG-CG1 3.74Å; L56-L131 HydrophobicContact CB-CD2 3.54Å; L56-L131 HydrophobicContact CD1-CD2 4.15Å; L56-L131 HydrophobicContact CG-CD2 4.02Å
57F91Very high76.2Confident0 Ų067.6 Ų67.60%035%0.349CS..EExtended strand (participates in β ladder)trans-127153-174.9-72.4-72.6000111.1L55 V78 F80 V129 F130 V132 F137 I173 T177 A181L55-F57 HydrophobicContact CB-CD2 4.23Å; L55-F57 HydrophobicContact CB-CE2 3.41Å; L55-F57 VanDerWaalsContact CB-CE2 3.41Å; L55-F57 HydrophobicContact CB-CZ 3.71Å; L55-F57 HydrophobicContact CD1-CZ 4.08Å; L55-F57 WeakPolarHBondContact O-CD2 3.42Å; F57-V78 HydrophobicContact CB-CG1 3.41Å; F57-V78 VanDerWaalsContact CB-CG1 3.41Å; F57-V78 HydrophobicContact CD1-CB 4.46Å; F57-V78 HydrophobicContact CD1-CG1 3.27Å; F57-V78 HydrophobicContact CE1-CG1 4.27Å; F57-V78 HydrophobicContact CG-CG1 3.62Å; F57-F80 HydrophobicContact CD1-CE1 4.17Å; F57-F80 AromaticContact CE1-CE1 3.73Å; F57-F80 HydrophobicContact CE1-CE1 3.73Å; F57-F80 AromaticContact CE1-CZ 3.81Å; F57-F80 HydrophobicContact CE1-CZ 3.81Å; F57-F80 HydrophobicContact CZ-CE1 4.4Å; F57-F80 HydrophobicContact CZ-CZ 4.49Å; F57-V129 WeakPolarHBondContact O-CA 3.31Å; F57-V129 WeakPolarHBondContact O-CG1 3.18Å; F57-F130 HydrophobicContact CB-CD1 4.01Å; F57-F130 HydrophobicContact CB-CD2 4.24Å; F57-F130 HydrophobicContact CB-CE1 3.54Å; F57-F130 HydrophobicContact CB-CE2 3.81Å; F57-F130 HydrophobicContact CB-CG 4.33Å; F57-F130 HydrophobicContact CB-CZ 3.44Å; F57-F130 VanDerWaalsContact CB-CZ 3.44Å; F57-F130 HydrophobicContact CD2-CE2 4.04Å; F57-F130 HydrophobicContact CD2-CZ 4.38Å; F57-F130 HydrophobicContact CG-CE2 4.16Å; F57-F130 HydrophobicContact CG-CZ 4.02Å; F57-F130 PolarHBondContact N-O 3.28Å; F57-F130 PolarHBondContact O-N 2.99Å; F57-F130 VanDerWaalsContact O-N 3.09Å; F57-V132 HydrophobicContact CD2-CB 4.19Å; F57-V132 HydrophobicContact CD2-CG2 3.69Å; F57-V132 HydrophobicContact CE2-CB 3.85Å; F57-V132 HydrophobicContact CE2-CG2 3.76Å; F57-F137 AromaticContact CE2-CE2 3.85Å; F57-F137 HydrophobicContact CE2-CE2 3.85Å; F57-F137 AromaticContact CE2-CZ 3.54Å; F57-F137 HydrophobicContact CE2-CZ 3.54Å; F57-F137 HydrophobicContact CZ-CE1 4.31Å; F57-F137 AromaticContact CZ-CE2 3.85Å; F57-F137 HydrophobicContact CZ-CE2 3.85Å; F57-F137 AromaticContact CZ-CZ 3.38Å; F57-F137 HydrophobicContact CZ-CZ 3.38Å; F57-I173 HydrophobicContact CE1-CG2 4.33Å; F57-T177 HydrophobicContact CD1-CG2 4.15Å; F57-T177 HydrophobicContact CE1-CG2 3.75Å; F57-A181 HydrophobicContact CZ-CB 4.24Å
58T87.3Confident73.5Confident6 Ų674 Ų744%0.03738%0.382CS..EExtended strand (participates in β ladder)trans-122.8141.417471.90000111.3L56 V78 S79 L81 V126 D128 V129L56-T58 HydrophobicContact CD2-CG2 4.41Å; T58-V78 CarbonylContact O-C 3.26Å; T58-V78 VanDerWaalsContact O-CA 3.28Å; T58-V78 WeakPolarHBondContact O-CA 3.25Å; T58-S79 PolarHBondContact N-O 2.83Å; T58-S79 PolarHBondContact O-N 3.27Å; T58-S79 PolarHBondContact OG1-O 2.86Å; T58-L81 HydrophobicContact CG2-CD2 3.62Å; T58-L81 HydrophobicContact CG2-CG 4.38Å; T58-V126 HydrophobicContact CG2-CG1 4.21Å; T58-V126 HydrophobicContact CG2-CG2 4.46Å; T58-D128 CarbonylContact C-O 3.52Å; T58-D128 WeakPolarHBondContact CA-O 3.38Å; T58-V129 HydrophobicContact CG2-CG2 4.23Å
59V86.2Confident70.8Confident39 Ų3976.8 Ų76.824%0.23641%0.405CS..EExtended strand (participates in β ladder)trans-94.5124167.9-176.30000107.6V126 K127 D128 F130 Y171V59-V126 CarbonylContact O-C 3.58Å; V59-V126 WeakPolarHBondContact O-CA 3.4Å; V59-K127 HydrophobicContact CB-CB 4.36Å; V59-K127 HydrophobicContact CG1-CB 4.2Å; V59-K127 HydrophobicContact CG1-CD 4.31Å; V59-K127 PolarHBondContact O-N 3.41Å; V59-D128 HydrophobicContact CB-CB 3.98Å; V59-D128 HydrophobicContact CG2-CB 3.98Å; V59-D128 PolarHBondContact N-O 3.24Å; V59-D128 PolarHBondContact O-N 3.01Å; V59-F130 HydrophobicContact CG2-CD1 4.15Å; V59-F130 HydrophobicContact CG2-CE1 3.83Å; V59-Y171 HydrophobicContact CG2-CD1 4.03Å; V59-Y171 HydrophobicContact CG2-CE1 4.02Å
60R81.2Confident68.1Low110 Ų11077.6 Ų77.642%0.41542%0.417SS..EExtended strand (participates in β ladder)trans-67.7144.1177.6-71.6-172.3133.8108.75.7111.6S79 E125R60-S79 VanDerWaalsContact NH1-CB 3.31Å; R60-S79 PolarHBondContact NH1-OG 3.01Å; R60-E125 WeakPolarHBondContact CA-O 3.25Å
61S77.1Confident65.6Low33 Ų3378.5 Ų78.523%0.23143%0.432CS..PPolyproline II helixtrans-67.1152.9170.6-164.60000111.4K63 P123 E125S61-K63 VanDerWaalsContact C-N 3.3Å; S61-P123 PolarHBondContact OG-O 3.38Å; S61-E125 PolarHBondContact N-O 3.16Å
62E68.3Low63.3Low159 Ų15981 Ų8174%0.74344%0.438SS*.SBendtrans-78.3-14.6-178.8-70.8168.6-149.400112.7K127E62-K127 IonicContact OE1-NZ 3.35Å; E62-K127 PolarHBondContact OE1-NZ 3.18Å
63K48.2Very low60.5Low160 Ų16079.7 Ų79.770%0.69644%0.443SS*.SBendtrans-74.7130.2178.6-70.6-174.7178179.80110.3S61 C65S61-K63 VanDerWaalsContact C-N 3.3Å; K63-C65 PolarHBondContact O-N 3.34Å; K63-C65 VanDerWaalsContact O-N 3.16Å
64P38.6Very low57.6Low121 Ų12184.6 Ų84.679%0.78648%0.478SS*.  trans-63.2120.6169.4-011.3000107.6E66P64-E66 PolarHBondContact O-N 3.24Å
65C37.3Very low54.5Low78 Ų7886 Ų8653%0.52749%0.493SS..  trans-57.8111.4169.2-134.70000107.2K63 V67K63-C65 PolarHBondContact O-N 3.34Å; K63-C65 VanDerWaalsContact O-N 3.16Å; C65-V67 PolarHBondContact O-N 3.33Å
66E31.9Very low51.5Low197 Ų19792 Ų9292%0.92152%0.522SS*.SBendtrans-70.85.3-176.6-139.8170.7-164.900112.9P64P64-E66 PolarHBondContact O-N 3.24Å
67V40.3Very low48.9Very low110 Ų11094.1 Ų94.167%0.66753%0.533SS*.SBendtrans-135.2100.2178.5-175.60000109.6C65C65-V67 PolarHBondContact O-N 3.33Å
68L34.7Very low46.6Very low153 Ų15394.5 Ų94.580%0.80154%0.536SS*.SBendtrans58.585.3156.6-65.5162.7000118.6
69A34.7Very low44.5Very low66 Ų6694.9 Ų94.955%0.54554%0.538SS..  trans-157.4139.3140.600000110.4
70P31.2Very low42.6Very low79 Ų7993.2 Ų93.251%0.51353%0.528SS..  trans-63.9143.9169.827.1-31.3000109.9Y40 L72Y40-P70 WeakPolarHBondContact OH-CD 3.27Å; Y40-P70 WeakPolarHBondContact OH-CG 3.37Å; P70-L72 PolarHBondContact O-N 2.9Å; P70-L72 VanDerWaalsContact O-N 3.15Å
71P33.4Very low40.5Very low127 Ų12790.3 Ų90.383%0.82552%0.521SS*.  trans-68.2113-17826.6-31.8000109.9
72L37.3Very low38.8Very low86 Ų8695.9 Ų95.945%0.4554%0.536SS..  trans-68.6132.5159.9-87.9115.9000108P70 S74 I77P70-L72 PolarHBondContact O-N 2.9Å; P70-L72 VanDerWaalsContact O-N 3.15Å; L72-S74 PolarHBondContact O-N 2.86Å; L72-I77 HydrophobicContact CB-CD1 4.03Å
73P34.2Very low37.2Very low108 Ų10891.7 Ų91.770%0.70153%0.525SS*.  trans-61.8130.8-171.617.5-26.3000112.3
74S34.4Very low36.3Very low118 Ų11887.1 Ų87.183%0.82551%0.511SS*.SBendtrans-34.3120175.51740000115.2L72L72-S74 PolarHBondContact O-N 2.86Å
75A29.7Very low36.2Very low45 Ų4591 Ų9137%0.37252%0.519SS..SBend174.1120.1117.800000107.9I77 K174A75-I77 PolarHBondContact O-N 2.8Å; A75-K174 WeakPolarHBondContact O-CE 3.34Å; A75-K174 PolarHBondContact O-NZ 3.06Å
76M31.9Very low36.1Very low127 Ų12796.8 Ų96.863%0.62654%0.535SS*.  trans34.775.3-178.2-72.4-163.6-176.800114.5V78 Q172M76-V78 PolarHBondContact O-N 2.93Å; M76-V78 VanDerWaalsContact O-N 3.14Å; M76-Q172 HydrophobicContact SD-CB 3.97Å; M76-Q172 HydrophobicContact SD-CG 4.42Å
77I39Very low36Very low55 Ų5591.9 Ų91.928%0.28252%0.52SS..  trans-81.696.1174.8-59.1169.9000107.5L72 A75 S79L72-I77 HydrophobicContact CB-CD1 4.03Å; A75-I77 PolarHBondContact O-N 2.8Å; I77-S79 PolarHBondContact O-N 3.39Å; I77-S79 VanDerWaalsContact O-N 3.14Å
78V42.1Very low35.6Very low8 Ų892.1 Ų92.15%0.04853%0.527CS..EExtended strand (participates in β ladder)trans-69.9104.4159.1-174.70000106.3F57 T58 M76 F130 Q172 I173 T177F57-V78 HydrophobicContact CB-CG1 3.41Å; F57-V78 VanDerWaalsContact CB-CG1 3.41Å; F57-V78 HydrophobicContact CD1-CB 4.46Å; F57-V78 HydrophobicContact CD1-CG1 3.27Å; F57-V78 HydrophobicContact CE1-CG1 4.27Å; F57-V78 HydrophobicContact CG-CG1 3.62Å; T58-V78 CarbonylContact O-C 3.26Å; T58-V78 VanDerWaalsContact O-CA 3.28Å; T58-V78 WeakPolarHBondContact O-CA 3.25Å; M76-V78 PolarHBondContact O-N 2.93Å; M76-V78 VanDerWaalsContact O-N 3.14Å; V78-F130 HydrophobicContact CG1-CE1 4.08Å; V78-F130 HydrophobicContact CG1-CZ 3.87Å; V78-F130 HydrophobicContact CG2-CE1 4.5Å; V78-F130 HydrophobicContact CG2-CZ 4.17Å; V78-Q172 WeakPolarHBondContact CG2-O 3.17Å; V78-I173 HydrophobicContact CG2-CG1 4.14Å; V78-T177 HydrophobicContact CB-CG2 4.28Å; V78-T177 HydrophobicContact CG1-CG2 4.44Å; V78-T177 VanDerWaalsContact O-CG2 3.26Å; V78-T177 WeakPolarHBondContact O-CG2 3.42Å; V78-T177 PolarHBondContact O-OG1 2.77Å
79S43.2Very low35.7Very low14 Ų1496.5 Ų96.510%0.09853%0.533CS..EExtended strand (participates in β ladder)trans-94.3130.2-177.4-163.60000109T58 R60 I77T58-S79 PolarHBondContact N-O 2.83Å; T58-S79 PolarHBondContact O-N 3.27Å; T58-S79 PolarHBondContact OG1-O 2.86Å; R60-S79 VanDerWaalsContact NH1-CB 3.31Å; R60-S79 PolarHBondContact NH1-OG 3.01Å; I77-S79 PolarHBondContact O-N 3.39Å; I77-S79 VanDerWaalsContact O-N 3.14Å
80F45.6Very low35.8Very low3 Ų3100.3 Ų100.31%0.01353%0.533CS..PPolyproline II helixtrans-55.1147.5153.2-77.1-50000109.9V42 L43 L44 F57 R82 T177 L180V42-F80 HydrophobicContact CB-CB 3.76Å; V42-F80 HydrophobicContact CB-CD2 4.42Å; V42-F80 HydrophobicContact CB-CG 4.49Å; V42-F80 HydrophobicContact CG1-CB 4.43Å; V42-F80 HydrophobicContact CG2-CD2 4.39Å; L43-F80 WeakPolarHBondContact O-CB 3.4Å; L43-F80 WeakPolarHBondContact O-CD1 3.26Å; L43-F80 VanDerWaalsContact O-CG 3.26Å; L43-F80 WeakPolarHBondContact O-CG 3.42Å; L44-F80 HydrophobicContact CB-CD1 4.3Å; L44-F80 HydrophobicContact CB-CE1 4.08Å; L44-F80 HydrophobicContact CB-CZ 4.46Å; L44-F80 HydrophobicContact CD1-CD2 4.44Å; L44-F80 HydrophobicContact CD1-CE2 4.45Å; L44-F80 HydrophobicContact CD2-CD2 4.43Å; L44-F80 HydrophobicContact CD2-CE1 3.85Å; L44-F80 HydrophobicContact CD2-CE2 3.69Å; L44-F80 HydrophobicContact CD2-CZ 3.36Å; L44-F80 HydrophobicContact CG-CD1 3.87Å; L44-F80 HydrophobicContact CG-CD2 4.03Å; L44-F80 HydrophobicContact CG-CE1 3.61Å; L44-F80 HydrophobicContact CG-CE2 3.77Å; L44-F80 HydrophobicContact CG-CG 4.08Å; L44-F80 HydrophobicContact CG-CZ 3.56Å; F57-F80 HydrophobicContact CD1-CE1 4.17Å; F57-F80 AromaticContact CE1-CE1 3.73Å; F57-F80 HydrophobicContact CE1-CE1 3.73Å; F57-F80 AromaticContact CE1-CZ 3.81Å; F57-F80 HydrophobicContact CE1-CZ 3.81Å; F57-F80 HydrophobicContact CZ-CE1 4.4Å; F57-F80 HydrophobicContact CZ-CZ 4.49Å; F80-R82 PolarHBondContact O-N 2.91Å; F80-R82 VanDerWaalsContact O-N 3.07Å; F80-T177 HydrophobicContact CD2-CG2 4.27Å; F80-T177 HydrophobicContact CE2-CG2 3.73Å; F80-T177 HydrophobicContact CZ-CG2 4.01Å; F80-L180 HydrophobicContact CD2-CD1 4.38Å; F80-L180 HydrophobicContact CE2-CB 4.08Å; F80-L180 HydrophobicContact CE2-CD1 4.11Å
81L37Very low36Very low50 Ų50102.6 Ų102.626%0.26254%0.537SS..EExtended strand (participates in β ladder)trans-55.3120.3178.8-67.2172.4000107.9L43 L56 T58 S83L43-L81 HydrophobicContact CB-CB 4.34Å; L43-L81 WeakPolarHBondContact CB-O 3.1Å; L43-L81 HydrophobicContact CD2-CB 4.48Å; L43-L81 HydrophobicContact CD2-CD1 4.46Å; L43-L81 PolarHBondContact N-O 3.08Å; L56-L81 HydrophobicContact CD2-CD1 4.3Å; L56-L81 HydrophobicContact CD2-CG 4.4Å; T58-L81 HydrophobicContact CG2-CD2 3.62Å; T58-L81 HydrophobicContact CG2-CG 4.38Å; L81-S83 PolarHBondContact O-N 2.84Å
82R41.5Very low36.2Very low150 Ų150102.6 Ų102.657%0.56653%0.526SS*.EExtended strand (participates in β ladder)trans-60.7129.2163.8-172.3178.2-171.8178.12.9104.8F80 P84F80-R82 PolarHBondContact O-N 2.91Å; F80-R82 VanDerWaalsContact O-N 3.07Å; R82-P84 WeakPolarHBondContact O-CD 3.36Å
83S34.3Very low36.2Very low71 Ų71100.7 Ų100.750%0.49752%0.515SS..  trans-44.7119.8-179.3179.30000108.8L81L81-S83 PolarHBondContact O-N 2.84Å
84P30.9Very low36.3Very low64 Ų6495.6 Ų95.642%0.41648%0.481SS..  trans-61148.3174.8-11.824.1000107.7R82 K86 P87R82-P84 WeakPolarHBondContact O-CD 3.36Å; P84-K86 PolarHBondContact O-N 2.63Å; P84-P87 HydrophobicContact CB-CG 3.98Å; P84-P87 HydrophobicContact CG-CG 3.72Å
85Q35Very low36.3Very low203 Ų20390.3 Ų90.395%0.94944%0.444SS*.SBendtrans-61.295155.3-85-166.111.200106.8
86K35.1Very low36.6Very low199 Ų19988.3 Ų88.387%0.86543%0.427SS*.  trans50.6112.2175.6-67.3-178.5177.2176.60117.1P84P84-K86 PolarHBondContact O-N 2.63Å
87P29.8Very low37.2Very low93 Ų9383.8 Ų83.860%0.60441%0.407SS*.  trans-110.4140.9136.47.914.6000109.2P84 R89P84-P87 HydrophobicContact CB-CG 3.98Å; P84-P87 HydrophobicContact CG-CG 3.72Å; P87-R89 PolarHBondContact O-N 3.09Å
88S31.7Very low37.5Very low116 Ų11681.5 Ų81.581%0.81140%0.396SS*.SBendtrans-51.6128.2-176.736.80000114.1
89R37Very low38Very low244 Ų24482.7 Ų82.792%0.92141%0.405SS*.  trans45.278.9152-162.6-176.9-168.5178.43116.8P87P87-R89 PolarHBondContact O-N 3.09Å
90R36.9Very low38.5Very low146 Ų14683.4 Ų83.455%0.55141%0.406SS*.  trans-141.5143152.3-67.2-167.5-165.6-1153.4111.7H92 D114R90-H92 PolarHBondContact O-CE1 3.35Å; R90-H92 VanDerWaalsContact O-CE1 3.28Å; R90-H92 PolarHBondContact O-N 3.14Å; R90-H92 PolarHBondContact O-ND1 3.24Å; R90-D114 VanDerWaalsContact CZ-CB 3.41Å; R90-D114 IonicContact CZ-OD2 2.59Å; R90-D114 IonicContact NH1-OD2 3.61Å; R90-D114 PolarHBondContact NH1-OD2 2.86Å; R90-D114 VanDerWaalsContact NH2-CB 3.28Å; R90-D114 VanDerWaalsContact NH2-CG 3.27Å; R90-D114 IonicContact NH2-OD2 3.12Å; R90-D114 PolarHBondContact NH2-OD2 2.86Å
91Q36Very low38.9Very low127 Ų12785.6 Ų85.659%0.59342%0.42SS*.  trans-71.9115.4-163.5-56.5173.514.600110.9H93Q91-H93 WeakPolarHBondContact CB-NE2 3.31Å; Q91-H93 PolarHBondContact OE1-NE2 3.43Å
92H37Very low39.9Very low128 Ų12887.5 Ų87.559%0.59343%0.434SS*.  trans-82.6114.8176.8-59.452.1000106.7R90R90-H92 PolarHBondContact O-CE1 3.35Å; R90-H92 VanDerWaalsContact O-CE1 3.28Å; R90-H92 PolarHBondContact O-N 3.14Å; R90-H92 PolarHBondContact O-ND1 3.24Å
93H38.4Very low41.3Very low46 Ų4684.3 Ų84.321%0.21343%0.428CS..EExtended strand (participates in β ladder)trans-128.8138.1178-72-79.5000109.1Q91Q91-H93 WeakPolarHBondContact CB-NE2 3.31Å; Q91-H93 PolarHBondContact OE1-NE2 3.43Å
94A35.2Very low43.4Very low0 Ų082 Ų820%041%0.411CS..EExtended strand (participates in β ladder)trans7092.6177.900000116.4L23 D27 C96 F109 V110L23-A94 HydrophobicContact CB-CB 4.27Å; D27-A94 HydrophobicContact CB-CB 4.2Å; D27-A94 PolarHBondContact OD2-N 3.33Å; D27-A94 VanDerWaalsContact OD2-N 3.12Å; A94-C96 PolarHBondContact O-N 3.06Å; A94-F109 WeakPolarHBondContact O-CA 3.22Å; A94-V110 PolarHBondContact O-N 3.32Å
95P34.5Very low45.8Very low8 Ų878.9 Ų78.95%0.05239%0.391CS..EExtended strand (participates in β ladder)trans-49.6107.113923.1-35.2000109.7D27 I28 G29 T107 P108D27-P95 WeakPolarHBondContact OD1-CD 3.46Å; D27-P95 VanDerWaalsContact OD1-CG 3.23Å; D27-P95 WeakPolarHBondContact OD1-CG 3.45Å; I28-P95 HydrophobicContact CD1-CB 4.35Å; I28-P95 HydrophobicContact CG1-CB 3.71Å; I28-P95 HydrophobicContact CG1-CG 3.72Å; G29-P95 VanDerWaalsContact N-CG 3.25Å; G29-P95 WeakPolarHBondContact O-CG 3.39Å; P95-T107 HydrophobicContact CB-CG2 4.18Å; P95-P108 CarbonylContact C-O 3.55Å; P95-P108 WeakPolarHBondContact CA-O 3.45Å
96C37.2Very low48.1Very low2 Ų269.7 Ų69.71%0.01435%0.348CS..  trans-78.7163.2161.3-67.20000108.3A94 A98 P108 L183A94-C96 PolarHBondContact O-N 3.06Å; C96-A98 PolarHBondContact O-N 2.87Å; C96-P108 VanDerWaalsContact C-CG 3.48Å; C96-P108 HydrophobicContact CB-CB 4.49Å; C96-P108 HydrophobicContact CB-CG 3.88Å; C96-P108 PolarHBondContact N-O 3.36Å; C96-P108 WeakPolarHBondContact O-CD 3.25Å; C96-P108 WeakPolarHBondContact O-CG 3.22Å; C96-L183 HydrophobicContact CB-CD2 4.26Å
97T43.8Very low50.4Low32 Ų3261.6 Ų61.620%0.19632%0.315CS..  trans-40123.7-171.8-39.10000114.2P108 S208 F212T97-P108 WeakPolarHBondContact O-CG 3.33Å; T97-S208 WeakPolarHBondContact CG2-O 3.23Å; T97-S208 VanDerWaalsContact OG1-CB 3.28Å; T97-S208 WeakPolarHBondContact OG1-CB 3.37Å; T97-F212 HydrophobicContact CG2-CB 4.45Å
98A44.9Very low53.1Low7 Ų757.1 Ų57.16%0.05829%0.287CS..  trans-63.8138.9178.400000110.7C96 L105 I106 F212C96-A98 PolarHBondContact O-N 2.87Å; A98-L105 HydrophobicContact CB-CD1 3.62Å; A98-L105 HydrophobicContact CB-CG 4.36Å; A98-I106 CarbonylContact C-O 3.57Å; A98-I106 VanDerWaalsContact CA-O 3.29Å; A98-I106 WeakPolarHBondContact CA-O 3.47Å; A98-F212 HydrophobicContact CB-CD2 4.13Å; A98-F212 HydrophobicContact CB-CE2 3.87Å; A98-F212 HydrophobicContact CB-CZ 4.49Å; A98-F212 VanDerWaalsContact O-CD2 3.25Å; A98-F212 WeakPolarHBondContact O-CD2 3.29Å
99C52.3Low55.6Low34 Ų3454.3 Ų54.323%0.2326%0.26CS..EExtended strand (participates in β ladder)trans-113132.5-177.6-66.60000110.1I106 M176C99-I106 HydrophobicContact CB-CB 4.32Å; C99-I106 PolarHBondContact N-O 3.48Å; C99-I106 PolarHBondContact O-N 3.28Å; C99-M176 HydrophobicContact CB-CG 4.14Å; C99-M176 HydrophobicContact CB-SD 3.42Å; C99-M176 WeakPolarHBondContact CB-SD 3.34Å
100E53.4Low58.1Low28 Ų2842.9 Ų42.913%0.13122%0.217CC..EExtended strand (participates in β ladder)trans-103.8139.7-178.1-65.1-172.4164.300112.8Y37 T104 L105 F212 V215 H216Y37-E100 PolarHBondContact OH-OE1 2.94Å; E100-T104 WeakPolarHBondContact CA-O 3.47Å; E100-L105 HydrophobicContact CG-CD1 4.15Å; E100-F212 HydrophobicContact CG-CD2 4.16Å; E100-F212 HydrophobicContact CG-CE2 3.68Å; E100-F212 WeakPolarHBondContact OE1-CE2 3.46Å; E100-V215 HydrophobicContact CB-CG1 4.11Å; E100-V215 WeakPolarHBondContact OE2-CG1 3.24Å; E100-H216 WeakPolarHBondContact OE1-CB 3.15Å; E100-H216 IonicContact OE1-CG 2.86Å; E100-H216 IonicContact OE1-ND1 3.16Å; E100-H216 PolarHBondContact OE1-ND1 2.7Å; E100-H216 VanDerWaalsContact OE1-ND1 3.12Å; E100-H216 WeakPolarHBondContact OE2-CA 3.14Å; E100-H216 PolarHBondContact OE2-N 3.12Å; E100-H216 VanDerWaalsContact OE2-N 3.14Å
101T53.8Low60.5Low50 Ų5036.3 Ų36.331%0.30720%0.195SC..EExtended strand (participates in β ladder)trans-130.110616158.30000109.1D103 T104T101-D103 VanDerWaalsContact C-N 3.27Å; T101-D103 PolarHBondContact O-N 3.16Å; T101-T104 PolarHBondContact N-O 3.43Å; T101-T104 WeakPolarHBondContact O-CB 3.47Å; T101-T104 PolarHBondContact O-N 3.2Å; T101-T104 WeakPolarHBondContact OG1-CB 3.35Å
102T58.2Low62.9Low90 Ų9032.3 Ų32.355%0.55218%0.177SC*.THydrogen-bonded Turntrans40.8-69.6-178.658.90000116.4
103D70.8Confident65.3Low82 Ų8227.6 Ų27.644%0.43916%0.156SC..THydrogen-bonded Turntrans-120.113.5179.9-54.1-41.7000113.9N38 T101N38-D103 VanDerWaalsContact CB-O 3.32Å; N38-D103 WeakPolarHBondContact CB-O 3.45Å; N38-D103 PolarHBondContact N-O 3.44Å; N38-D103 PolarHBondContact ND2-O 2.92Å; T101-D103 VanDerWaalsContact C-N 3.27Å; T101-D103 PolarHBondContact O-N 3.16Å
104T79.1Confident67.1Low22 Ų2227.2 Ų27.214%0.13516%0.155CC..EExtended strand (participates in β ladder)trans-126.9133.3-173-67.70000111.5N38 Y40 E100 T101 I106N38-T104 CarbonylContact O-C 3.51Å; N38-T104 VanDerWaalsContact O-CA 3.24Å; N38-T104 WeakPolarHBondContact O-CA 3.35Å; Y40-T104 HydrophobicContact CD2-CG2 3.34Å; Y40-T104 HydrophobicContact CE2-CG2 3.65Å; Y40-T104 HydrophobicContact CG-CG2 4.34Å; E100-T104 WeakPolarHBondContact CA-O 3.47Å; T101-T104 PolarHBondContact N-O 3.43Å; T101-T104 WeakPolarHBondContact O-CB 3.47Å; T101-T104 PolarHBondContact O-N 3.2Å; T101-T104 WeakPolarHBondContact OG1-CB 3.35Å; T104-I106 HydrophobicContact CG2-CG1 4.05Å
105L81.5Confident69Low0 Ų030.3 Ų30.30%017%0.17CC..EExtended strand (participates in β ladder)trans-110.2122174.1-176.470.1000109.4Y37 N38 K39 Y40 A98 E100 F212Y37-L105 HydrophobicContact CD2-CB 4.12Å; Y37-L105 HydrophobicContact CD2-CD2 4.49Å; Y37-L105 HydrophobicContact CG-CB 3.94Å; N38-L105 PolarHBondContact O-N 2.94Å; K39-L105 WeakPolarHBondContact CA-O 3.39Å; Y40-L105 PolarHBondContact N-O 2.94Å; A98-L105 HydrophobicContact CB-CD1 3.62Å; A98-L105 HydrophobicContact CB-CG 4.36Å; E100-L105 HydrophobicContact CG-CD1 4.15Å; L105-F212 HydrophobicContact CD1-CE2 3.58Å; L105-F212 HydrophobicContact CD1-CZ 3.99Å
106I82.8Confident71.1Confident9 Ų935.4 Ų35.45%0.04620%0.197CC..EExtended strand (participates in β ladder)trans-105.3118.5177.2-57.9175.6000108.6Y40 V42 A98 C99 T104 P108 M176Y40-I106 WeakPolarHBondContact O-CA 3.46Å; V42-I106 HydrophobicContact CG1-CG2 3.94Å; V42-I106 HydrophobicContact CG2-CG2 3.89Å; A98-I106 CarbonylContact C-O 3.57Å; A98-I106 VanDerWaalsContact CA-O 3.29Å; A98-I106 WeakPolarHBondContact CA-O 3.47Å; C99-I106 HydrophobicContact CB-CB 4.32Å; C99-I106 PolarHBondContact N-O 3.48Å; C99-I106 PolarHBondContact O-N 3.28Å; T104-I106 HydrophobicContact CG2-CG1 4.05Å; I106-P108 WeakPolarHBondContact O-CD 3.42Å; I106-M176 HydrophobicContact CB-SD 4.33Å; I106-M176 HydrophobicContact CD1-CE 3.53Å; I106-M176 HydrophobicContact CD1-SD 3.63Å; I106-M176 HydrophobicContact CG2-CE 4.09Å; I106-M176 HydrophobicContact CG2-SD 4.26Å
107T84.1Confident73.2Confident29 Ų2939.8 Ų39.818%0.17822%0.216CC..EExtended strand (participates in β ladder)trans-102.6106.9176.6-50.60000110Y40 S41 V42 P95 F109Y40-T107 PolarHBondContact O-N 2.91Å; S41-T107 VanDerWaalsContact CA-O 3.29Å; S41-T107 WeakPolarHBondContact CA-O 3.32Å; V42-T107 PolarHBondContact N-O 3.49Å; V42-T107 VanDerWaalsContact N-O 3.17Å; P95-T107 HydrophobicContact CB-CG2 4.18Å; T107-F109 HydrophobicContact CG2-CD2 4.43Å; T107-F109 HydrophobicContact CG2-CE1 4.32Å; T107-F109 HydrophobicContact CG2-CE2 3.65Å; T107-F109 HydrophobicContact CG2-CZ 3.59Å; T107-F109 WeakPolarHBondContact O-CD2 3.39Å; T107-F109 WeakPolarHBondContact O-CE2 3.43Å
108P86.3Confident74.8Confident0 Ų045.3 Ų45.30%024%0.239CC..EExtended strand (participates in β ladder)trans-82.6132.4178.132.3-34.3000111.8V42 L44 P95 C96 T97 I106 L180V42-P108 HydrophobicContact CG2-CB 3.64Å; V42-P108 CarbonylContact O-C 3.59Å; V42-P108 WeakPolarHBondContact O-CA 3.35Å; L44-P108 HydrophobicContact CD1-CB 3.52Å; P95-P108 CarbonylContact C-O 3.55Å; P95-P108 WeakPolarHBondContact CA-O 3.45Å; C96-P108 VanDerWaalsContact C-CG 3.48Å; C96-P108 HydrophobicContact CB-CB 4.49Å; C96-P108 HydrophobicContact CB-CG 3.88Å; C96-P108 PolarHBondContact N-O 3.36Å; C96-P108 WeakPolarHBondContact O-CD 3.25Å; C96-P108 WeakPolarHBondContact O-CG 3.22Å; T97-P108 WeakPolarHBondContact O-CG 3.33Å; I106-P108 WeakPolarHBondContact O-CD 3.42Å; P108-L180 HydrophobicContact CB-CD1 3.98Å; P108-L180 HydrophobicContact CB-CD2 4Å; P108-L180 HydrophobicContact CG-CD1 4.5Å; P108-L180 HydrophobicContact CG-CD2 3.8Å
109F84.9Confident76.5Confident57 Ų5746.9 Ų46.925%0.2525%0.252CS..EExtended strand (participates in β ladder)trans-116136.4176.3-65.8-86.5000110.1V42 L43 L44 A94 T107V42-F109 PolarHBondContact O-N 3.02Å; L43-F109 CarbonylContact C-O 3.56Å; L43-F109 WeakPolarHBondContact CA-O 3.33Å; L43-F109 HydrophobicContact CD1-CB 4.38Å; L44-F109 PolarHBondContact N-O 3.37Å; A94-F109 WeakPolarHBondContact O-CA 3.22Å; T107-F109 HydrophobicContact CG2-CD2 4.43Å; T107-F109 HydrophobicContact CG2-CE1 4.32Å; T107-F109 HydrophobicContact CG2-CE2 3.65Å; T107-F109 HydrophobicContact CG2-CZ 3.59Å; T107-F109 WeakPolarHBondContact O-CD2 3.39Å; T107-F109 WeakPolarHBondContact O-CE2 3.43Å
110V88.2Confident78Confident4 Ų454 Ų542%0.02428%0.282CS..EExtended strand (participates in β ladder)trans-92128.3173.9-172.40000110.3L23 L44 L46 A94 V184L23-V110 HydrophobicContact CD1-CB 4.12Å; L23-V110 HydrophobicContact CD1-CG1 3.59Å; L23-V110 HydrophobicContact CD2-CB 4.38Å; L23-V110 HydrophobicContact CD2-CG1 4.32Å; L23-V110 HydrophobicContact CD2-CG2 4.04Å; L44-V110 HydrophobicContact CB-CG2 4.27Å; L46-V110 HydrophobicContact CD1-CG1 3.42Å; L46-V110 VanDerWaalsContact CD1-CG1 3.42Å; L46-V110 HydrophobicContact CG-CG1 4.03Å; A94-V110 PolarHBondContact O-N 3.32Å; V110-V184 HydrophobicContact CG2-CG2 3.95Å
111G87.8Confident79.3Confident8 Ų855.7 Ų55.78%0.08230%0.296CS..EExtended strand (participates in β ladder)trans-117.8128.4-178.500000111.5L44 P45 L46L44-G111 PolarHBondContact O-N 3.48Å; P45-G111 CarbonylContact C-O 3.53Å; P45-G111 WeakPolarHBondContact CA-O 3.41Å; L46-G111 PolarHBondContact N-O 2.91Å
112L87.6Confident80.7Confident43 Ų4357 Ų5723%0.22530%0.301CS..EExtended strand (participates in β ladder)trans-88.1116.1171.6-53.1178000108.7L16 K20 L46L16-L112 HydrophobicContact CB-CD1 4.43Å; L16-L112 HydrophobicContact CD2-CB 4.39Å; L16-L112 HydrophobicContact CD2-CD2 4Å; K20-L112 HydrophobicContact CB-CD1 3.9Å; K20-L112 HydrophobicContact CD-CD1 4.21Å; K20-L112 HydrophobicContact CG-CD1 4.16Å; L46-L112 HydrophobicContact CB-CD2 4.04Å; L46-L112 HydrophobicContact CD1-CD2 3.88Å
113I86.3Confident81.8Confident29 Ų2957.6 Ų57.615%0.14931%0.306CS..EExtended strand (participates in β ladder)trans-95.6140.7-174.6-54.5-55.3000110.2P45 L46 V47 F117P45-I113 HydrophobicContact CB-CD1 3.92Å; P45-I113 HydrophobicContact CB-CG1 3.48Å; P45-I113 VanDerWaalsContact CB-CG1 3.48Å; L46-I113 WeakPolarHBondContact O-CB 3.32Å; L46-I113 PolarHBondContact O-N 3.32Å; V47-I113 HydrophobicContact CG2-CB 3.95Å; V47-I113 HydrophobicContact CG2-CG1 4.29Å; V47-I113 HydrophobicContact CG2-CG2 4.26Å; I113-F117 HydrophobicContact CG2-CB 3.52Å; I113-F117 HydrophobicContact CG2-CD1 3.59Å; I113-F117 HydrophobicContact CG2-CD2 4.46Å; I113-F117 HydrophobicContact CG2-CE1 4.43Å; I113-F117 HydrophobicContact CG2-CG 3.6Å
114D77.1Confident82.2Confident37 Ų3756.2 Ų56.220%0.19831%0.306CS..PPolyproline II helixtrans-64.3148.4175.7-156.2-83.8000111.6R90 N116 F117R90-D114 VanDerWaalsContact CZ-CB 3.41Å; R90-D114 IonicContact CZ-OD2 2.59Å; R90-D114 IonicContact NH1-OD2 3.61Å; R90-D114 PolarHBondContact NH1-OD2 2.86Å; R90-D114 VanDerWaalsContact NH2-CB 3.28Å; R90-D114 VanDerWaalsContact NH2-CG 3.27Å; R90-D114 IonicContact NH2-OD2 3.12Å; R90-D114 PolarHBondContact NH2-OD2 2.86Å; D114-N116 VanDerWaalsContact C-N 3.26Å; D114-N116 PolarHBondContact O-N 2.66Å; D114-N116 VanDerWaalsContact OD1-CB 3.3Å; D114-N116 WeakPolarHBondContact OD1-CB 3.42Å; D114-N116 PolarHBondContact OD1-N 2.97Å; D114-N116 PolarHBondContact OD1-ND2 2.76Å; D114-F117 HydrophobicContact CB-CB 4.49Å; D114-F117 WeakPolarHBondContact O-CB 3.49Å; D114-F117 PolarHBondContact O-N 3.29Å; D114-F117 VanDerWaalsContact O-N 3.16Å
115H75.1Confident82Confident66 Ų6660.4 Ų60.431%0.30632%0.324SS..THydrogen-bonded Turntrans-70.2-23.8176.465.9-94000113.6E9 R12E9-H115 IonicContact OE1-CE1 2.77Å; E9-H115 IonicContact OE1-NE2 3.56Å; R12-H115 PolarHBondContact NH1-CD2 3.22Å; R12-H115 PolarHBondContact NH1-ND1 3.41Å
116N77.8Confident82.1Confident114 Ų11461.4 Ų61.461%0.6133%0.33SS*.THydrogen-bonded Turntrans-82.4-3.2175.2-63.1-46.9000112.5D114 Q118D114-N116 VanDerWaalsContact C-N 3.26Å; D114-N116 PolarHBondContact O-N 2.66Å; D114-N116 VanDerWaalsContact OD1-CB 3.3Å; D114-N116 WeakPolarHBondContact OD1-CB 3.42Å; D114-N116 PolarHBondContact OD1-N 2.97Å; D114-N116 PolarHBondContact OD1-ND2 2.76Å; N116-Q118 PolarHBondContact O-N 2.82Å
117F81.6Confident82.2Confident94 Ų9466.9 Ų66.941%0.41235%0.354SS..  trans-66.1123.9176.5176.3-102000110.1L56 I113 D114 A119L56-F117 HydrophobicContact CD1-CE1 4.04Å; I113-F117 HydrophobicContact CG2-CB 3.52Å; I113-F117 HydrophobicContact CG2-CD1 3.59Å; I113-F117 HydrophobicContact CG2-CD2 4.46Å; I113-F117 HydrophobicContact CG2-CE1 4.43Å; I113-F117 HydrophobicContact CG2-CG 3.6Å; D114-F117 HydrophobicContact CB-CB 4.49Å; D114-F117 WeakPolarHBondContact O-CB 3.49Å; D114-F117 PolarHBondContact O-N 3.29Å; D114-F117 VanDerWaalsContact O-N 3.16Å; F117-A119 HydrophobicContact CE1-CB 3.96Å; F117-A119 HydrophobicContact CZ-CB 4.31Å
118Q78.3Confident82.4Confident149 Ų14968.2 Ų68.270%0.69636%0.36SS*.  trans-111.3122.9169.6-68.8-67.4-18.100107.8N116 Q120N116-Q118 PolarHBondContact O-N 2.82Å; Q118-Q120 PolarHBondContact O-N 2.96Å
119A79.6Confident82.6Confident40 Ų4070 Ų7033%0.33137%0.37SS..  trans-67.4127178.500000109.7F117 P121 V129F117-A119 HydrophobicContact CE1-CB 3.96Å; F117-A119 HydrophobicContact CZ-CB 4.31Å; A119-P121 WeakPolarHBondContact O-CD 3.3Å; A119-V129 HydrophobicContact CB-CB 4.41Å; A119-V129 HydrophobicContact CB-CG1 3.94Å; A119-V129 HydrophobicContact CB-CG2 4.44Å
120Q83.8Confident82.9Confident182 Ų18267.6 Ų67.685%0.8536%0.36SS*.  trans-114.283.2173.1-66-174.95.500108.2Q118 N122Q118-Q120 PolarHBondContact O-N 2.96Å; Q120-N122 PolarHBondContact O-N 3.47Å
121P80.3Confident83.1Confident65 Ų6569.4 Ų69.442%0.42237%0.369SS..  trans-65.4134.9-176.325.2-32.2000111.1A119 P123 V126 V129A119-P121 WeakPolarHBondContact O-CD 3.3Å; P121-P123 WeakPolarHBondContact O-CD 3.31Å; P121-V126 HydrophobicContact CB-CB 4.03Å; P121-V126 HydrophobicContact CB-CG1 3.75Å; P121-V129 HydrophobicContact CB-CG2 3.92Å; P121-V129 HydrophobicContact CG-CG2 4.31Å
122N83.2Confident83.5Confident76 Ų7669 Ų6941%0.40637%0.365SS..  trans-78.5111.7167.4176.16.7000108.6Q120 A124 E125 V126Q120-N122 PolarHBondContact O-N 3.47Å; N122-A124 PolarHBondContact O-N 2.95Å; N122-A124 VanDerWaalsContact O-N 3.09Å; N122-A124 WeakPolarHBondContact OD1-CB 3.46Å; N122-A124 PolarHBondContact OD1-N 3.44Å; N122-A124 VanDerWaalsContact OD1-N 3.14Å; N122-E125 PolarHBondContact O-N 2.94Å; N122-V126 PolarHBondContact O-N 2.99Å
123P81.4Confident84Confident103 Ų10368.5 Ų68.567%0.66937%0.365SS*.THydrogen-bonded Turntrans-64.2-18.5-175.327.2-35.8000113.7S61 P121 E125 V126S61-P123 PolarHBondContact OG-O 3.38Å; P121-P123 WeakPolarHBondContact O-CD 3.31Å; P123-E125 VanDerWaalsContact C-N 3.25Å; P123-E125 PolarHBondContact O-N 3.3Å; P123-V126 WeakPolarHBondContact CA-O 3.26Å
124A79.4Confident84.5Confident53 Ų5367.2 Ų67.244%0.43836%0.358SS..THydrogen-bonded Turntrans-65.9-29.1172.800000112.5N122N122-A124 PolarHBondContact O-N 2.95Å; N122-A124 VanDerWaalsContact O-N 3.09Å; N122-A124 WeakPolarHBondContact OD1-CB 3.46Å; N122-A124 PolarHBondContact OD1-N 3.44Å; N122-A124 VanDerWaalsContact OD1-N 3.14Å
125E74.6Confident85.5Confident110 Ų11067.9 Ų67.951%0.51437%0.369SS..THydrogen-bonded Turntrans-117.2-37.1-173.6-67.2178.8-153.300112.9R60 S61 N122 P123R60-E125 WeakPolarHBondContact CA-O 3.25Å; S61-E125 PolarHBondContact N-O 3.16Å; N122-E125 PolarHBondContact O-N 2.94Å; P123-E125 VanDerWaalsContact C-N 3.25Å; P123-E125 PolarHBondContact O-N 3.3Å
126V83.6Confident86.6Confident21 Ų2165.9 Ų65.913%0.12736%0.359CS..EExtended strand (participates in β ladder)trans-122.2114.4-171.5178.20000108.8T58 V59 P121 N122 P123 D128 V129T58-V126 HydrophobicContact CG2-CG1 4.21Å; T58-V126 HydrophobicContact CG2-CG2 4.46Å; V59-V126 CarbonylContact O-C 3.58Å; V59-V126 WeakPolarHBondContact O-CA 3.4Å; P121-V126 HydrophobicContact CB-CB 4.03Å; P121-V126 HydrophobicContact CB-CG1 3.75Å; N122-V126 PolarHBondContact O-N 2.99Å; P123-V126 WeakPolarHBondContact CA-O 3.26Å; V126-D128 VanDerWaalsContact CG1-O 3.26Å; V126-D128 WeakPolarHBondContact CG1-O 3.19Å; V126-V129 HydrophobicContact CG1-CG2 3.75Å
127K86.2Confident87.5Confident124 Ų12460.4 Ų60.454%0.53933%0.33SS..EExtended strand (participates in β ladder)trans-73.5-39.6175.3179.7171.1178.9173.90111.6V59 E62V59-K127 HydrophobicContact CB-CB 4.36Å; V59-K127 HydrophobicContact CG1-CB 4.2Å; V59-K127 HydrophobicContact CG1-CD 4.31Å; V59-K127 PolarHBondContact O-N 3.41Å; E62-K127 IonicContact OE1-NZ 3.35Å; E62-K127 PolarHBondContact OE1-NZ 3.18Å
128D87.1Confident88.3Confident57 Ų5756 Ų5631%0.30531%0.31SS..EExtended strand (participates in β ladder)trans-157158.5-173.5-163.713.9000112T58 V59 V126 Y171T58-D128 CarbonylContact C-O 3.52Å; T58-D128 WeakPolarHBondContact CA-O 3.38Å; V59-D128 HydrophobicContact CB-CB 3.98Å; V59-D128 HydrophobicContact CG2-CB 3.98Å; V59-D128 PolarHBondContact N-O 3.24Å; V59-D128 PolarHBondContact O-N 3.01Å; V126-D128 VanDerWaalsContact CG1-O 3.26Å; V126-D128 WeakPolarHBondContact CG1-O 3.19Å; D128-Y171 WeakPolarHBondContact OD2-CE1 3.3Å; D128-Y171 PolarHBondContact OD2-OH 3.47Å
129V90.3Very high89.2Confident37 Ų3753.6 Ų53.622%0.22430%0.299CS..EExtended strand (participates in β ladder)trans-134.9129.1177.8-178.30000109.2L56 F57 T58 A119 P121 V126L56-V129 HydrophobicContact CD1-CG1 3.91Å; L56-V129 HydrophobicContact CD2-CG1 3.81Å; L56-V129 HydrophobicContact CG-CG1 3.74Å; F57-V129 WeakPolarHBondContact O-CA 3.31Å; F57-V129 WeakPolarHBondContact O-CG1 3.18Å; T58-V129 HydrophobicContact CG2-CG2 4.23Å; A119-V129 HydrophobicContact CB-CB 4.41Å; A119-V129 HydrophobicContact CB-CG1 3.94Å; A119-V129 HydrophobicContact CB-CG2 4.44Å; P121-V129 HydrophobicContact CB-CG2 3.92Å; P121-V129 HydrophobicContact CG-CG2 4.31Å; V126-V129 HydrophobicContact CG1-CG2 3.75Å
130F92.2Very high90Very high8 Ų852.8 Ų52.84%0.03529%0.29CS..EExtended strand (participates in β ladder)trans-141160.6-17866.5-80.5000111.8F57 V59 V78 V132 Y171 I173F57-F130 HydrophobicContact CB-CD1 4.01Å; F57-F130 HydrophobicContact CB-CD2 4.24Å; F57-F130 HydrophobicContact CB-CE1 3.54Å; F57-F130 HydrophobicContact CB-CE2 3.81Å; F57-F130 HydrophobicContact CB-CG 4.33Å; F57-F130 HydrophobicContact CB-CZ 3.44Å; F57-F130 VanDerWaalsContact CB-CZ 3.44Å; F57-F130 HydrophobicContact CD2-CE2 4.04Å; F57-F130 HydrophobicContact CD2-CZ 4.38Å; F57-F130 HydrophobicContact CG-CE2 4.16Å; F57-F130 HydrophobicContact CG-CZ 4.02Å; F57-F130 PolarHBondContact N-O 3.28Å; F57-F130 PolarHBondContact O-N 2.99Å; F57-F130 VanDerWaalsContact O-N 3.09Å; V59-F130 HydrophobicContact CG2-CD1 4.15Å; V59-F130 HydrophobicContact CG2-CE1 3.83Å; V78-F130 HydrophobicContact CG1-CE1 4.08Å; V78-F130 HydrophobicContact CG1-CZ 3.87Å; V78-F130 HydrophobicContact CG2-CE1 4.5Å; V78-F130 HydrophobicContact CG2-CZ 4.17Å; F130-V132 HydrophobicContact CD2-CG2 3.74Å; F130-V132 HydrophobicContact CE2-CG2 3.52Å; F130-Y171 HydrophobicContact CB-CD2 4.42Å; F130-Y171 HydrophobicContact CB-CE1 4.29Å; F130-Y171 HydrophobicContact CB-CE2 3.89Å; F130-Y171 AromaticContact CD1-CD1 3.57Å; F130-Y171 HydrophobicContact CD1-CD1 3.57Å; F130-Y171 HydrophobicContact CD1-CD2 4.4Å; F130-Y171 AromaticContact CD1-CE1 3.55Å; F130-Y171 HydrophobicContact CD1-CE1 3.55Å; F130-Y171 HydrophobicContact CD1-CE2 4.38Å; F130-Y171 HydrophobicContact CD1-CG 4Å; F130-Y171 AromaticContact CD1-CZ 3.97Å; F130-Y171 HydrophobicContact CD2-CD1 4.28Å; F130-Y171 AromaticContact CD2-CD2 3.76Å; F130-Y171 HydrophobicContact CD2-CD2 3.76Å; F130-Y171 HydrophobicContact CD2-CE2 4.1Å; F130-Y171 AromaticContact CD2-CG 3.84Å; F130-Y171 HydrophobicContact CD2-CG 3.84Å; F130-Y171 AromaticContact CE1-CD1 3.51Å; F130-Y171 HydrophobicContact CE1-CD1 3.51Å; F130-Y171 AromaticContact CE1-CE1 3.97Å; F130-Y171 HydrophobicContact CE1-CE1 3.97Å; F130-Y171 AromaticContact CE1-CG 3.9Å; F130-Y171 HydrophobicContact CE1-CG 3.9Å; F130-Y171 HydrophobicContact CE2-CD1 4.21Å; F130-Y171 HydrophobicContact CE2-CD2 4.05Å; F130-Y171 AromaticContact CE2-CG 3.72Å; F130-Y171 HydrophobicContact CE2-CG 3.72Å; F130-Y171 AromaticContact CG-CD1 3.98Å; F130-Y171 HydrophobicContact CG-CD1 3.98Å; F130-Y171 AromaticContact CG-CD2 3.95Å; F130-Y171 HydrophobicContact CG-CD2 3.95Å; F130-Y171 AromaticContact CG-CE1 3.91Å; F130-Y171 HydrophobicContact CG-CE1 3.91Å; F130-Y171 AromaticContact CG-CE2 3.88Å; F130-Y171 HydrophobicContact CG-CE2 3.88Å; F130-Y171 AromaticContact CG-CG 3.98Å; F130-Y171 HydrophobicContact CG-CG 3.98Å; F130-Y171 AromaticContact CG-CZ 3.85Å; F130-Y171 AromaticContact CZ-CD1 3.85Å; F130-Y171 HydrophobicContact CZ-CD1 3.85Å; F130-Y171 HydrophobicContact CZ-CD2 4.49Å; F130-Y171 AromaticContact CZ-CG 3.75Å; F130-Y171 HydrophobicContact CZ-CG 3.75Å; F130-I173 HydrophobicContact CE2-CD1 4.25Å; F130-I173 HydrophobicContact CE2-CG1 4.44Å; F130-I173 HydrophobicContact CZ-CG1 4.28Å
131L93.1Very high90.6Very high41 Ų4152.8 Ų52.822%0.21529%0.29CS..EExtended strand (participates in β ladder)trans-110.9138.7177.8-64.6-179.5000110.1V47 K49 H54 L55 L56 Y162V47-L131 HydrophobicContact CB-CD2 4.39Å; V47-L131 HydrophobicContact CG2-CD2 4.12Å; K49-L131 HydrophobicContact CD-CD1 3.79Å; H54-L131 HydrophobicContact CB-CB 4.23Å; H54-L131 HydrophobicContact CB-CD2 4.47Å; L55-L131 WeakPolarHBondContact O-CA 3.36Å; L56-L131 HydrophobicContact CB-CD2 3.54Å; L56-L131 HydrophobicContact CD1-CD2 4.15Å; L56-L131 HydrophobicContact CG-CD2 4.02Å; L131-Y162 WeakPolarHBondContact O-CE1 3.26Å
132V95.8Very high91.3Very high0 Ų053 Ų530%029%0.29CS..EExtended strand (participates in β ladder)trans-122.5130.1171.2-174.10000109.1H54 L55 F57 F130 L134 Y136 F137 Y162 I173H54-V132 CarbonylContact C-O 3.57Å; H54-V132 VanDerWaalsContact CA-O 3.22Å; H54-V132 WeakPolarHBondContact CA-O 3.08Å; L55-V132 PolarHBondContact N-O 3.28Å; L55-V132 PolarHBondContact O-N 3.16Å; F57-V132 HydrophobicContact CD2-CB 4.19Å; F57-V132 HydrophobicContact CD2-CG2 3.69Å; F57-V132 HydrophobicContact CE2-CB 3.85Å; F57-V132 HydrophobicContact CE2-CG2 3.76Å; F130-V132 HydrophobicContact CD2-CG2 3.74Å; F130-V132 HydrophobicContact CE2-CG2 3.52Å; V132-L134 PolarHBondContact O-N 2.86Å; V132-Y136 HydrophobicContact CG1-CD1 3.83Å; V132-Y136 HydrophobicContact CG1-CG 3.99Å; V132-F137 HydrophobicContact CB-CE2 3.94Å; V132-F137 HydrophobicContact CB-CZ 3.97Å; V132-F137 HydrophobicContact CG1-CE2 3.73Å; V132-F137 HydrophobicContact CG1-CZ 3.76Å; V132-F137 HydrophobicContact CG2-CZ 4.39Å; V132-Y162 HydrophobicContact CB-CD1 4.43Å; V132-Y162 HydrophobicContact CG1-CD1 4.3Å; V132-Y162 HydrophobicContact CG1-CD2 3.84Å; V132-Y162 HydrophobicContact CG1-CE2 4.13Å; V132-Y162 HydrophobicContact CG1-CG 3.92Å; V132-Y162 HydrophobicContact CG2-CD1 3.69Å; V132-Y162 HydrophobicContact CG2-CE1 4.06Å; V132-Y162 HydrophobicContact CG2-CG 4.02Å; V132-I173 HydrophobicContact CG2-CD1 3.99Å
133P97.3Very high92Very high33 Ų3351.8 Ų51.821%0.21428%0.282CS..EExtended strand (participates in β ladder)trans-55.3130.7174.3-23.532000110.8H54 A135 Y136 Y162H54-P133 VanDerWaalsContact CD2-CA 3.45Å; H54-P133 WeakPolarHBondContact CD2-CA 3.08Å; P133-A135 PolarHBondContact O-N 3.19Å; P133-A135 VanDerWaalsContact O-N 3.14Å; P133-Y136 WeakPolarHBondContact O-CB 2.81Å; P133-Y136 PolarHBondContact O-N 3.08Å; P133-Y162 WeakPolarHBondContact CD-OH 3.02Å; P133-Y162 HydrophobicContact CG-CE2 4.44Å
134L97.1Very high92.6Very high1 Ų151.8 Ų51.81%0.00528%0.276CS..G310 helixtrans-58.5-34.7-175.5-174.865.7000112.1L46 L53 L55 V132 Y136 F137 V184 A185 I188 L189L46-L134 HydrophobicContact CD2-CD1 4.27Å; L46-L134 HydrophobicContact CD2-CD2 4.16Å; L53-L134 HydrophobicContact CB-CB 4.15Å; L53-L134 HydrophobicContact CB-CD2 4.05Å; L53-L134 HydrophobicContact CD1-CD2 4.29Å; L53-L134 VanDerWaalsContact O-CB 3.27Å; L53-L134 WeakPolarHBondContact O-CB 3.26Å; L53-L134 PolarHBondContact O-N 3.35Å; L55-L134 HydrophobicContact CD1-CD1 3.69Å; L55-L134 HydrophobicContact CG-CD1 3.88Å; V132-L134 PolarHBondContact O-N 2.86Å; L134-Y136 PolarHBondContact O-N 3.38Å; L134-F137 PolarHBondContact O-N 3.36Å; L134-V184 HydrophobicContact CD1-CG1 4.23Å; L134-A185 HydrophobicContact CD1-CB 3.68Å; L134-A185 HydrophobicContact CG-CB 3.83Å; L134-A185 WeakPolarHBondContact O-CB 3.32Å; L134-I188 HydrophobicContact CD2-CB 3.95Å; L134-I188 HydrophobicContact CD2-CD1 3.96Å; L134-I188 HydrophobicContact CD2-CG2 3.9Å; L134-L189 HydrophobicContact CB-CD1 4.36Å; L134-L189 HydrophobicContact CD2-CD1 4.27Å; L134-L189 HydrophobicContact CD2-CD2 4.31Å; L134-L189 HydrophobicContact CD2-CG 4.08Å; L134-L189 HydrophobicContact CG-CD1 4.04Å; L134-L189 HydrophobicContact CG-CG 4.38Å
135A97.6Very high93.3Very high52 Ų5251.8 Ų51.843%0.4327%0.267SS..G310 helixtrans-64.4-22.6177.400000113.9P133 F137 L138 H139 L189P133-A135 PolarHBondContact O-N 3.19Å; P133-A135 VanDerWaalsContact O-N 3.14Å; A135-F137 PolarHBondContact O-N 3.23Å; A135-L138 PolarHBondContact O-N 2.89Å; A135-L138 VanDerWaalsContact O-N 3.09Å; A135-H139 PolarHBondContact O-N 3.14Å; A135-L189 HydrophobicContact CB-CD1 3.92Å
136Y97.8Very high94.2Very high23 Ų2350.2 Ų50.29%0.0926%0.26CS..G310 helixtrans-58.7-36.9177.8-171.9-101.2000111.7V132 P133 L134 L138 H139 P140 Q141 V142 F160 E161 Y162V132-Y136 HydrophobicContact CG1-CD1 3.83Å; V132-Y136 HydrophobicContact CG1-CG 3.99Å; P133-Y136 WeakPolarHBondContact O-CB 2.81Å; P133-Y136 PolarHBondContact O-N 3.08Å; L134-Y136 PolarHBondContact O-N 3.38Å; Y136-L138 PolarHBondContact O-N 3.05Å; Y136-L138 VanDerWaalsContact O-N 3.14Å; Y136-H139 CarbonylContact O-C 3.53Å; Y136-H139 PolarHBondContact O-N 2.83Å; Y136-P140 HydrophobicContact CD1-CB 4.49Å; Y136-P140 HydrophobicContact CE1-CB 4Å; Y136-P140 HydrophobicContact CE2-CB 4.26Å; Y136-P140 VanDerWaalsContact O-CA 3.26Å; Y136-P140 WeakPolarHBondContact O-CA 3.37Å; Y136-P140 WeakPolarHBondContact O-CB 3.19Å; Y136-P140 WeakPolarHBondContact O-CD 3.49Å; Y136-Q141 HydrophobicContact CE2-CB 4.33Å; Y136-Q141 PolarHBondContact OH-N 3.02Å; Y136-V142 PolarHBondContact OH-N 3.41Å; Y136-V142 PolarHBondContact OH-O 3.48Å; Y136-F160 HydrophobicContact CE1-CB 4.26Å; Y136-F160 HydrophobicContact CE1-CD1 4.28Å; Y136-E161 PolarHBondContact OH-O 3.19Å; Y136-Y162 HydrophobicContact CD1-CD2 4.15Å; Y136-Y162 HydrophobicContact CD2-CD2 4.01Å; Y136-Y162 HydrophobicContact CD2-CE2 4.49Å; Y136-Y162 HydrophobicContact CE1-CD2 4.2Å; Y136-Y162 HydrophobicContact CE2-CD2 4.08Å; Y136-Y162 HydrophobicContact CG-CD2 4.07Å
137F97.7Very high94.6Very high0 Ų054.1 Ų54.10%027%0.273CS..G310 helixtrans-73.1-1.7179.8-62-72.1000114.2L55 F57 V132 L134 A135 F160 I173 A181 V182 A185 F195L55-F137 HydrophobicContact CB-CE2 4.49Å; L55-F137 HydrophobicContact CD1-CD2 4.29Å; L55-F137 HydrophobicContact CD1-CE2 4.03Å; F57-F137 AromaticContact CE2-CE2 3.85Å; F57-F137 HydrophobicContact CE2-CE2 3.85Å; F57-F137 AromaticContact CE2-CZ 3.54Å; F57-F137 HydrophobicContact CE2-CZ 3.54Å; F57-F137 HydrophobicContact CZ-CE1 4.31Å; F57-F137 AromaticContact CZ-CE2 3.85Å; F57-F137 HydrophobicContact CZ-CE2 3.85Å; F57-F137 AromaticContact CZ-CZ 3.38Å; F57-F137 HydrophobicContact CZ-CZ 3.38Å; V132-F137 HydrophobicContact CB-CE2 3.94Å; V132-F137 HydrophobicContact CB-CZ 3.97Å; V132-F137 HydrophobicContact CG1-CE2 3.73Å; V132-F137 HydrophobicContact CG1-CZ 3.76Å; V132-F137 HydrophobicContact CG2-CZ 4.39Å; L134-F137 PolarHBondContact O-N 3.36Å; A135-F137 PolarHBondContact O-N 3.23Å; F137-F160 HydrophobicContact CD1-CD2 4.13Å; F137-F160 HydrophobicContact CD1-CE2 4.15Å; F137-F160 HydrophobicContact CD1-CG 4.32Å; F137-F160 HydrophobicContact CD1-CZ 4.37Å; F137-F160 HydrophobicContact CE1-CD2 4.38Å; F137-I173 HydrophobicContact CE1-CD1 4.14Å; F137-I173 HydrophobicContact CE1-CG2 4.2Å; F137-I173 HydrophobicContact CZ-CD1 4.16Å; F137-A181 HydrophobicContact CD1-CB 3.7Å; F137-A181 HydrophobicContact CD2-CB 3.95Å; F137-A181 HydrophobicContact CE1-CB 3.74Å; F137-A181 HydrophobicContact CE2-CB 3.99Å; F137-A181 HydrophobicContact CG-CB 3.81Å; F137-A181 HydrophobicContact CZ-CB 3.9Å; F137-V182 HydrophobicContact CB-CG2 4.26Å; F137-A185 HydrophobicContact CB-CB 4.03Å; F137-F195 VanDerWaalsContact O-CZ 3.25Å; F137-F195 WeakPolarHBondContact O-CZ 3.35Å
138L97.7Very high94.6Very high1 Ų150.2 Ų50.21%0.00526%0.259CS..THydrogen-bonded Turntrans-111.7-32.6173.1-59.3176.6000111.7A135 Y136 A185 F186 L189 K191 P193 T194A135-L138 PolarHBondContact O-N 2.89Å; A135-L138 VanDerWaalsContact O-N 3.09Å; Y136-L138 PolarHBondContact O-N 3.05Å; Y136-L138 VanDerWaalsContact O-N 3.14Å; L138-A185 HydrophobicContact CD1-CB 4.16Å; L138-A185 HydrophobicContact CD2-CB 4.03Å; L138-A185 HydrophobicContact CG-CB 3.82Å; L138-F186 HydrophobicContact CD2-CB 4.24Å; L138-L189 HydrophobicContact CD1-CB 3.95Å; L138-L189 HydrophobicContact CD1-CD1 3.92Å; L138-L189 HydrophobicContact CD1-CG 4.49Å; L138-K191 HydrophobicContact CD1-CB 3.88Å; L138-K191 WeakPolarHBondContact CD1-O 3.13Å; L138-P193 HydrophobicContact CD2-CB 4.1Å; L138-P193 VanDerWaalsContact O-CA 3.3Å; L138-P193 WeakPolarHBondContact O-CA 3.37Å; L138-T194 PolarHBondContact O-N 2.92Å
139H97.8Very high94.5Very high99 Ų9952.3 Ų52.346%0.45827%0.274SS..SBendtrans-133.569.2-179.2-57.976.3000109.3A135 Y136 K192 T194A135-H139 PolarHBondContact O-N 3.14Å; Y136-H139 CarbonylContact O-C 3.53Å; Y136-H139 PolarHBondContact O-N 2.83Å; H139-K192 PolarHBondContact CE1-O 2.84Å; H139-T194 WeakPolarHBondContact CD2-CG2 3.28Å
140P97Very high94Very high22 Ų2257.6 Ų57.614%0.14329%0.29CS..  trans-72.2154.5-178.732.7-39.2000111.1Y136 H143 F160 F195Y136-P140 HydrophobicContact CD1-CB 4.49Å; Y136-P140 HydrophobicContact CE1-CB 4Å; Y136-P140 HydrophobicContact CE2-CB 4.26Å; Y136-P140 VanDerWaalsContact O-CA 3.26Å; Y136-P140 WeakPolarHBondContact O-CA 3.37Å; Y136-P140 WeakPolarHBondContact O-CB 3.19Å; Y136-P140 WeakPolarHBondContact O-CD 3.49Å; P140-H143 HydrophobicContact CB-CB 3.85Å; P140-H143 HydrophobicContact CG-CB 3.37Å; P140-F160 HydrophobicContact CB-CD1 3.71Å; P140-F160 HydrophobicContact CB-CE1 3.89Å; P140-F160 HydrophobicContact CG-CD1 4.08Å; P140-F160 HydrophobicContact CG-CE1 3.8Å; P140-F195 HydrophobicContact CG-CD1 4.25Å; P140-F195 HydrophobicContact CG-CE1 3.99Å
141Q95.3Very high93.2Very high182 Ų18258.9 Ų58.985%0.8530%0.297SS*.SBendtrans-82-40.4169.6-71.3-176.3-15.600111.2Y136Y136-Q141 HydrophobicContact CE2-CB 4.33Å; Y136-Q141 PolarHBondContact OH-N 3.02Å
142V95.6Very high92.6Very high70 Ų7059 Ų5942%0.42431%0.308SS..EExtended strand (participates in β ladder)trans-126.5113.8178.6-174.80000108.8Y136 E161Y136-V142 PolarHBondContact OH-N 3.41Å; Y136-V142 PolarHBondContact OH-O 3.48Å; V142-E161 HydrophobicContact CB-CB 3.99Å; V142-E161 HydrophobicContact CB-CG 4.46Å; V142-E161 HydrophobicContact CG1-CB 3.82Å; V142-E161 HydrophobicContact CG1-CG 3.77Å; V142-E161 PolarHBondContact O-N 2.84Å; V142-E161 VanDerWaalsContact O-N 3.13Å
143H97.2Very high91.9Very high51 Ų5161.5 Ų61.524%0.23632%0.32CS..EExtended strand (participates in β ladder)trans-148.9138.6-179.3169.2-102.6000110.8P140 H158 I159 F160 F195P140-H143 HydrophobicContact CB-CB 3.85Å; P140-H143 HydrophobicContact CG-CB 3.37Å; H143-H158 AromaticContact CE1-ND1 3.89Å; H143-H158 AromaticContact NE2-CG 3.8Å; H143-H158 AromaticContact NE2-ND1 3.24Å; H143-H158 PolarHBondContact NE2-ND1 3.29Å; H143-I159 WeakPolarHBondContact CA-O 3.35Å; H143-F160 HydrophobicContact CB-CD1 4.14Å; H143-F160 HydrophobicContact CB-CE1 4.29Å; H143-F160 AromaticContact CD2-CD1 3.55Å; H143-F160 AromaticContact CD2-CE1 3.25Å; H143-F160 WeakPolarHBondContact CD2-CE1 3.26Å; H143-F160 AromaticContact CD2-CZ 3.52Å; H143-F160 AromaticContact CG-CE1 3.98Å; H143-F160 AromaticContact NE2-CE1 3.95Å; H143-F160 AromaticContact NE2-CZ 3.81Å; H143-F195 AromaticContact CE1-CD1 3.71Å; H143-F195 AromaticContact CE1-CD2 3.7Å; H143-F195 AromaticContact CE1-CG 3.36Å; H143-F195 WeakPolarHBondContact CE1-CG 3.17Å; H143-F195 AromaticContact ND1-CD1 3.85Å; H143-F195 AromaticContact ND1-CG 3.88Å; H143-F195 AromaticContact NE2-CD2 3.92Å; H143-F195 AromaticContact NE2-CG 3.93Å
144D94.4Very high91.5Very high102 Ų10266.9 Ų66.955%0.54534%0.336SS..EExtended strand (participates in β ladder)trans-131.4157167.6-172.423.3000109.4I159D144-I159 PolarHBondContact N-O 3.18Å; D144-I159 PolarHBondContact O-N 3.23Å
145Q94.6Very high91Very high53 Ų5369 Ų6925%0.24835%0.346CS..EExtended strand (participates in β ladder)trans-146.6141.617662175.921.900111.6I156 N157 H158 E196Q145-I156 HydrophobicContact CB-CG2 4.11Å; Q145-N157 WeakPolarHBondContact CA-O 3.33Å; Q145-H158 PolarHBondContact OE1-CE1 2.96Å; Q145-H158 VanDerWaalsContact OE1-CE1 3.27Å; Q145-H158 PolarHBondContact OE1-ND1 3.4Å; Q145-E196 PolarHBondContact OE1-O 3.31Å
146H92.3Very high90.7Very high77 Ų7767 Ų6736%0.35633%0.328SS..EExtended strand (participates in β ladder)trans-138.9156.5171.957.4-88.6000110.8N157H146-N157 PolarHBondContact CE1-ND2 3.41Å; H146-N157 PolarHBondContact N-O 3.11Å; H146-N157 PolarHBondContact NE2-ND2 3.05Å; H146-N157 PolarHBondContact O-N 3.48Å
147Y92.3Very high90.2Very high103 Ų10367.6 Ų67.640%0.40433%0.332SS..EExtended strand (participates in β ladder)trans-85.7138.9177.4-57.8-75.1000111.2R154 F155 I156 E196Y147-R154 HydrophobicContact CD1-CG 3.97Å; Y147-R154 HydrophobicContact CG-CG 4.16Å; Y147-F155 CarbonylContact C-O 3.57Å; Y147-F155 VanDerWaalsContact CA-O 3.31Å; Y147-F155 WeakPolarHBondContact CA-O 3.28Å; Y147-I156 HydrophobicContact CD1-CG1 3.91Å; Y147-I156 HydrophobicContact CE1-CD1 4.16Å; Y147-I156 HydrophobicContact CE1-CG1 3.78Å; Y147-E196 PolarHBondContact OH-OE2 2.98Å
148V86Confident89.9Confident42 Ų4267.7 Ų67.726%0.25533%0.332SS..EExtended strand (participates in β ladder)trans-128124.3174.6-174.80000108.5R150 F155 N157V148-R150 HydrophobicContact CG1-CG 3.97Å; V148-F155 PolarHBondContact N-O 2.68Å; V148-F155 WeakPolarHBondContact O-CB 3.28Å; V148-F155 PolarHBondContact O-N 3.17Å; V148-N157 HydrophobicContact CG2-CB 3.81Å
149T86.4Confident89.7Confident101 Ų10169.3 Ų69.362%0.6234%0.341SS*.EExtended strand (participates in β ladder)trans-86.4119175.1-57.40000109.6H153T149-H153 CarbonylContact C-O 3.49Å; T149-H153 WeakPolarHBondContact CA-O 3.31Å
150R79.4Confident89.5Confident149 Ų14964.6 Ų64.656%0.56232%0.319SS*.EExtended strand (participates in β ladder)trans-132.9140.6175-64.4-168.8174.9-154.2-1.1110.1V148 G152 H153 F155V148-R150 HydrophobicContact CG1-CG 3.97Å; R150-G152 PolarHBondContact O-N 3.41Å; R150-H153 PolarHBondContact N-O 3.05Å; R150-H153 PolarHBondContact O-N 3.23Å; R150-H153 VanDerWaalsContact O-O 3.07Å; R150-F155 HydrophobicContact CB-CD2 3.89Å; R150-F155 HydrophobicContact CB-CE2 3.92Å; R150-F155 WeakPolarHBondContact O-CE2 3.37Å
151L75.9Confident89.4Confident34 Ų3466.8 Ų66.818%0.17833%0.327CS..THydrogen-bonded Turntrans47.535.2-175.4-64.2170.8000111.8H153 V215 K218 A219L151-H153 PolarHBondContact O-N 2.65Å; L151-V215 HydrophobicContact CB-CG1 4.43Å; L151-V215 HydrophobicContact CD1-CG1 3.51Å; L151-K218 WeakPolarHBondContact O-CD 3.29Å; L151-K218 WeakPolarHBondContact O-CE 3.45Å; L151-K218 WeakPolarHBondContact O-CG 3.41Å; L151-K218 PolarHBondContact O-NZ 3.22Å; L151-A219 HydrophobicContact CD1-CB 4.36Å
152G79.1Confident89.4Confident44 Ų4459.2 Ų59.245%0.45429%0.291SS..THydrogen-bonded Turntrans50.135.8-174.100000115.4R150 K218R150-G152 PolarHBondContact O-N 3.41Å; G152-K218 VanDerWaalsContact CA-NZ 3.27Å; G152-K218 PolarHBondContact O-NZ 3.37Å; G152-K218 VanDerWaalsContact O-NZ 3.11Å
153H82.1Confident89.3Confident52 Ų5259.5 Ų59.524%0.24129%0.293CS..EExtended strand (participates in β ladder)trans-120.1147162.4-171.775.5000109.2T149 R150 L151 F155 Q198 L211T149-H153 CarbonylContact C-O 3.49Å; T149-H153 WeakPolarHBondContact CA-O 3.31Å; R150-H153 PolarHBondContact N-O 3.05Å; R150-H153 PolarHBondContact O-N 3.23Å; R150-H153 VanDerWaalsContact O-O 3.07Å; L151-H153 PolarHBondContact O-N 2.65Å; H153-F155 HydrophobicContact CB-CE2 3.88Å; H153-F155 HydrophobicContact CB-CZ 4.28Å; H153-F155 AromaticContact CD2-CE2 3.95Å; H153-F155 AromaticContact CD2-CZ 3.9Å; H153-F155 WeakPolarHBondContact O-CD2 3.11Å; H153-Q198 PolarHBondContact NE2-NE2 3.15Å; H153-L211 WeakPolarHBondContact CD2-CD1 3.47Å; H153-L211 WeakPolarHBondContact NE2-CD1 3.33Å
154R87.8Confident89.1Confident146 Ų14657.9 Ų57.955%0.55129%0.286SS*.EExtended strand (participates in β ladder)trans-89.7114-179.5-167.9173.574168.75.4109.8Y147 Q198Y147-R154 HydrophobicContact CD1-CG 3.97Å; Y147-R154 HydrophobicContact CG-CG 4.16Å; R154-Q198 PolarHBondContact O-NE2 3.31Å
155F87.4Confident89Confident47 Ų4758.2 Ų58.221%0.20629%0.294CS..EExtended strand (participates in β ladder)trans-101.5147176.8-67.2-86.2000111.6Y147 V148 R150 H153 L211 V215Y147-F155 CarbonylContact C-O 3.57Å; Y147-F155 VanDerWaalsContact CA-O 3.31Å; Y147-F155 WeakPolarHBondContact CA-O 3.28Å; V148-F155 PolarHBondContact N-O 2.68Å; V148-F155 WeakPolarHBondContact O-CB 3.28Å; V148-F155 PolarHBondContact O-N 3.17Å; R150-F155 HydrophobicContact CB-CD2 3.89Å; R150-F155 HydrophobicContact CB-CE2 3.92Å; R150-F155 WeakPolarHBondContact O-CE2 3.37Å; H153-F155 HydrophobicContact CB-CE2 3.88Å; H153-F155 HydrophobicContact CB-CZ 4.28Å; H153-F155 AromaticContact CD2-CE2 3.95Å; H153-F155 AromaticContact CD2-CZ 3.9Å; H153-F155 WeakPolarHBondContact O-CD2 3.11Å; F155-L211 HydrophobicContact CE1-CD1 4.11Å; F155-L211 HydrophobicContact CE1-CD2 4.24Å; F155-L211 HydrophobicContact CE1-CG 4.43Å; F155-L211 HydrophobicContact CZ-CD1 4.43Å; F155-V215 HydrophobicContact CE1-CG2 4.46Å; F155-V215 HydrophobicContact CE2-CG2 4.48Å; F155-V215 HydrophobicContact CZ-CG2 3.63Å
156I90.2Very high88.7Confident10 Ų1062 Ų625%0.05131%0.311CS..EExtended strand (participates in β ladder)trans-88.6126.6167.4-54.2-178.5000108.5Q145 Y147 H158 N179 E196Q145-I156 HydrophobicContact CB-CG2 4.11Å; Y147-I156 HydrophobicContact CD1-CG1 3.91Å; Y147-I156 HydrophobicContact CE1-CD1 4.16Å; Y147-I156 HydrophobicContact CE1-CG1 3.78Å; I156-H158 WeakPolarHBondContact CG2-CE1 3.26Å; I156-N179 PolarHBondContact O-ND2 2.62Å; I156-N179 VanDerWaalsContact O-ND2 3.09Å; I156-N179 PolarHBondContact O-OD1 2.83Å; I156-E196 HydrophobicContact CD1-CB 4.05Å
157N88.4Confident88.7Confident34 Ų3462.5 Ų62.518%0.18232%0.317CS..EExtended strand (participates in β ladder)trans-105.1101.8171.1-174.134.7000108.7Q145 H146 V148 G175Q145-N157 WeakPolarHBondContact CA-O 3.33Å; H146-N157 PolarHBondContact CE1-ND2 3.41Å; H146-N157 PolarHBondContact N-O 3.11Å; H146-N157 PolarHBondContact NE2-ND2 3.05Å; H146-N157 PolarHBondContact O-N 3.48Å; V148-N157 HydrophobicContact CG2-CB 3.81Å; N157-G175 WeakPolarHBondContact OD1-CA 3.41Å; N157-G175 PolarHBondContact OD1-N 3.49Å; N157-G175 VanDerWaalsContact OD1-N 3.08Å
158H91.8Very high88.7Confident2 Ų260 Ų601%0.00932%0.322CS..EExtended strand (participates in β ladder)trans-78145.6173.8-61.7-53000111.3H143 Q145 I156 F160 K174 G175 A178 N179 F195 E196H143-H158 AromaticContact CE1-ND1 3.89Å; H143-H158 AromaticContact NE2-CG 3.8Å; H143-H158 AromaticContact NE2-ND1 3.24Å; H143-H158 PolarHBondContact NE2-ND1 3.29Å; Q145-H158 PolarHBondContact OE1-CE1 2.96Å; Q145-H158 VanDerWaalsContact OE1-CE1 3.27Å; Q145-H158 PolarHBondContact OE1-ND1 3.4Å; I156-H158 WeakPolarHBondContact CG2-CE1 3.26Å; H158-F160 HydrophobicContact CB-CD2 4.1Å; H158-F160 HydrophobicContact CB-CE2 3.55Å; H158-F160 HydrophobicContact CB-CZ 4.24Å; H158-K174 WeakPolarHBondContact O-CA 3.49Å; H158-K174 WeakPolarHBondContact O-CB 3.48Å; H158-G175 PolarHBondContact O-N 3.22Å; H158-A178 HydrophobicContact CB-CB 3.92Å; H158-N179 PolarHBondContact CD2-OD1 2.91Å; H158-F195 AromaticContact CE1-CD2 3.64Å; H158-F195 AromaticContact CE1-CE2 3.69Å; H158-F195 AromaticContact NE2-CE2 3.92Å; H158-E196 PolarHBondContact CE1-O 3.17Å
159I92.8Very high89Confident36 Ų3661 Ų6119%0.18533%0.328CS..EExtended strand (participates in β ladder)trans-128.3112.5168.7-58.1169.4000106.9H143 D144 K174H143-I159 WeakPolarHBondContact CA-O 3.35Å; D144-I159 PolarHBondContact N-O 3.18Å; D144-I159 PolarHBondContact O-N 3.23Å; I159-K174 HydrophobicContact CG1-CB 4.07Å
160F94.1Very high89.3Confident0 Ų059.7 Ų59.70%032%0.321CS..EExtended strand (participates in β ladder)trans-105136.2173.2-65.3-84.3000109.1Y136 F137 P140 H143 H158 Q172 I173 A178 V182 F195Y136-F160 HydrophobicContact CE1-CB 4.26Å; Y136-F160 HydrophobicContact CE1-CD1 4.28Å; F137-F160 HydrophobicContact CD1-CD2 4.13Å; F137-F160 HydrophobicContact CD1-CE2 4.15Å; F137-F160 HydrophobicContact CD1-CG 4.32Å; F137-F160 HydrophobicContact CD1-CZ 4.37Å; F137-F160 HydrophobicContact CE1-CD2 4.38Å; P140-F160 HydrophobicContact CB-CD1 3.71Å; P140-F160 HydrophobicContact CB-CE1 3.89Å; P140-F160 HydrophobicContact CG-CD1 4.08Å; P140-F160 HydrophobicContact CG-CE1 3.8Å; H143-F160 HydrophobicContact CB-CD1 4.14Å; H143-F160 HydrophobicContact CB-CE1 4.29Å; H143-F160 AromaticContact CD2-CD1 3.55Å; H143-F160 AromaticContact CD2-CE1 3.25Å; H143-F160 WeakPolarHBondContact CD2-CE1 3.26Å; H143-F160 AromaticContact CD2-CZ 3.52Å; H143-F160 AromaticContact CG-CE1 3.98Å; H143-F160 AromaticContact NE2-CE1 3.95Å; H143-F160 AromaticContact NE2-CZ 3.81Å; H158-F160 HydrophobicContact CB-CD2 4.1Å; H158-F160 HydrophobicContact CB-CE2 3.55Å; H158-F160 HydrophobicContact CB-CZ 4.24Å; F160-Q172 CarbonylContact O-C 3.57Å; F160-Q172 VanDerWaalsContact O-CA 3.29Å; F160-Q172 WeakPolarHBondContact O-CA 3.35Å; F160-I173 HydrophobicContact CB-CB 4.36Å; F160-I173 PolarHBondContact N-O 2.96Å; F160-I173 PolarHBondContact O-N 3.26Å; F160-A178 HydrophobicContact CD2-CB 3.79Å; F160-A178 HydrophobicContact CE2-CB 3.86Å; F160-V182 HydrophobicContact CE2-CG2 3.76Å; F160-V182 HydrophobicContact CZ-CG2 3.58Å; F160-F195 AromaticContact CE1-CE1 3.95Å; F160-F195 HydrophobicContact CE1-CE1 3.95Å; F160-F195 AromaticContact CE1-CZ 3.94Å; F160-F195 HydrophobicContact CE1-CZ 3.94Å; F160-F195 HydrophobicContact CZ-CE1 4.08Å; F160-F195 HydrophobicContact CZ-CE2 4.19Å; F160-F195 AromaticContact CZ-CZ 3.59Å; F160-F195 HydrophobicContact CZ-CZ 3.59Å
161E94.8Very high89.9Confident68 Ų6853.4 Ų53.432%0.31830%0.297SS..EExtended strand (participates in β ladder)trans-110121.9167.7-47.4-161.2144.500108.6Y136 V142 T170 Y171 Q172Y136-E161 PolarHBondContact OH-O 3.19Å; V142-E161 HydrophobicContact CB-CB 3.99Å; V142-E161 HydrophobicContact CB-CG 4.46Å; V142-E161 HydrophobicContact CG1-CB 3.82Å; V142-E161 HydrophobicContact CG1-CG 3.77Å; V142-E161 PolarHBondContact O-N 2.84Å; V142-E161 VanDerWaalsContact O-N 3.13Å; E161-T170 HydrophobicContact CB-CG2 4.26Å; E161-Y171 CarbonylContact C-O 3.53Å; E161-Y171 WeakPolarHBondContact CA-O 3.39Å; E161-Q172 HydrophobicContact CG-CG 4.16Å; E161-Q172 PolarHBondContact OE1-NE2 3.38Å
162Y94.3Very high90.7Very high22 Ų2254.7 Ų54.79%0.08630%0.302CS..EExtended strand (participates in β ladder)trans-120.6118179.3174-100.7000109.7L131 V132 P133 Y136 N164 P165 T170 Y171L131-Y162 WeakPolarHBondContact O-CE1 3.26Å; V132-Y162 HydrophobicContact CB-CD1 4.43Å; V132-Y162 HydrophobicContact CG1-CD1 4.3Å; V132-Y162 HydrophobicContact CG1-CD2 3.84Å; V132-Y162 HydrophobicContact CG1-CE2 4.13Å; V132-Y162 HydrophobicContact CG1-CG 3.92Å; V132-Y162 HydrophobicContact CG2-CD1 3.69Å; V132-Y162 HydrophobicContact CG2-CE1 4.06Å; V132-Y162 HydrophobicContact CG2-CG 4.02Å; P133-Y162 WeakPolarHBondContact CD-OH 3.02Å; P133-Y162 HydrophobicContact CG-CE2 4.44Å; Y136-Y162 HydrophobicContact CD1-CD2 4.15Å; Y136-Y162 HydrophobicContact CD2-CD2 4.01Å; Y136-Y162 HydrophobicContact CD2-CE2 4.49Å; Y136-Y162 HydrophobicContact CE1-CD2 4.2Å; Y136-Y162 HydrophobicContact CE2-CD2 4.08Å; Y136-Y162 HydrophobicContact CG-CD2 4.07Å; Y162-N164 HydrophobicContact CE1-CB 4.03Å; Y162-P165 WeakPolarHBondContact OH-CD 3.45Å; Y162-T170 CarbonylContact O-C 3.37Å; Y162-T170 WeakPolarHBondContact O-CA 3.11Å; Y162-Y171 PolarHBondContact N-O 2.81Å; Y162-Y171 PolarHBondContact O-N 3.09Å
163T94.9Very high91.4Very high76 Ų7652.6 Ų52.647%0.46628%0.28SS..EExtended strand (participates in β ladder)trans-91.3118.6171.2-51.20000109P165 V169 T170T163-P165 WeakPolarHBondContact O-CD 3.33Å; T163-V169 CarbonylContact C-O 3.59Å; T163-V169 WeakPolarHBondContact CA-O 2.86Å; T163-T170 WeakPolarHBondContact CG2-OG1 3.42Å; T163-T170 PolarHBondContact OG1-OG1 3.45Å
164N92.1Very high91.7Very high18 Ų1852.5 Ų52.510%0.09628%0.279CS..  trans-68.9120.9175.2175.515.4000109.1Y162 E166 D167 G168 V169 Y171Y162-N164 HydrophobicContact CE1-CB 4.03Å; N164-E166 PolarHBondContact O-N 2.73Å; N164-E166 PolarHBondContact OD1-N 2.79Å; N164-E166 VanDerWaalsContact OD1-N 3.13Å; N164-D167 VanDerWaalsContact CB-OD1 3.22Å; N164-D167 WeakPolarHBondContact CB-OD1 3.5Å; N164-D167 PolarHBondContact ND2-OD1 3.07Å; N164-D167 PolarHBondContact ND2-OD2 3.26Å; N164-G168 VanDerWaalsContact O-CA 3.28Å; N164-G168 WeakPolarHBondContact O-CA 3.45Å; N164-G168 PolarHBondContact O-N 3.05Å; N164-V169 PolarHBondContact N-O 3.14Å; N164-Y171 HydrophobicContact CB-CE2 4.2Å
165P91.6Very high91.7Very high109 Ų10946.4 Ų46.471%0.70826%0.262SS*.THydrogen-bonded Turntrans-68.8-17.8-178.128-36.1000113.6Y162 T163Y162-P165 WeakPolarHBondContact OH-CD 3.45Å; T163-P165 WeakPolarHBondContact O-CD 3.33Å
166E89.8Confident91.6Very high131 Ų13147 Ų4761%0.61227%0.266SS*.THydrogen-bonded Turntrans-77.4-37.6-178.4-66.2-178-179.600112.9K49 N164K49-E166 IonicContact NZ-OE1 2.66Å; K49-E166 PolarHBondContact NZ-OE1 3.34Å; K49-E166 IonicContact NZ-OE2 2.67Å; N164-E166 PolarHBondContact O-N 2.73Å; N164-E166 PolarHBondContact OD1-N 2.79Å; N164-E166 VanDerWaalsContact OD1-N 3.13Å
167D91.2Very high91.5Very high88 Ų8847.2 Ų47.247%0.47127%0.268SS..THydrogen-bonded Turntrans-123-9.4-174.258.223.2000114N164 V169N164-D167 VanDerWaalsContact CB-OD1 3.22Å; N164-D167 WeakPolarHBondContact CB-OD1 3.5Å; N164-D167 PolarHBondContact ND2-OD1 3.07Å; N164-D167 PolarHBondContact ND2-OD2 3.26Å; D167-V169 VanDerWaalsContact C-N 3.25Å; D167-V169 HydrophobicContact CB-CG2 4.25Å; D167-V169 PolarHBondContact O-N 2.8Å; D167-V169 WeakPolarHBondContact OD1-CB 3.08Å; D167-V169 PolarHBondContact OD1-N 2.63Å
168G92.9Very high91.7Very high50 Ų5045.6 Ų45.652%0.51526%0.259SS..  trans764.6-177.900000114.8N164N164-G168 VanDerWaalsContact O-CA 3.28Å; N164-G168 WeakPolarHBondContact O-CA 3.45Å; N164-G168 PolarHBondContact O-N 3.05Å
169V91.9Very high91.6Very high63 Ų6347.4 Ų47.438%0.38227%0.269SS..  trans-75.4133.8-178.8-178.10000110T163 N164 D167 Y171T163-V169 CarbonylContact C-O 3.59Å; T163-V169 WeakPolarHBondContact CA-O 2.86Å; N164-V169 PolarHBondContact N-O 3.14Å; D167-V169 VanDerWaalsContact C-N 3.25Å; D167-V169 HydrophobicContact CB-CG2 4.25Å; D167-V169 PolarHBondContact O-N 2.8Å; D167-V169 WeakPolarHBondContact OD1-CB 3.08Å; D167-V169 PolarHBondContact OD1-N 2.63Å; V169-Y171 HydrophobicContact CB-CE2 3.82Å; V169-Y171 HydrophobicContact CG1-CD2 4.3Å; V169-Y171 HydrophobicContact CG1-CE1 3.92Å; V169-Y171 HydrophobicContact CG1-CE2 3.65Å; V169-Y171 VanDerWaalsContact CG1-CZ 3.44Å
170T93Very high91.6Very high75 Ų7546 Ų4646%0.4626%0.261SS..EExtended strand (participates in β ladder)trans-103.3127.6178.4-57.30000111.3E161 Y162 T163E161-T170 HydrophobicContact CB-CG2 4.26Å; Y162-T170 CarbonylContact O-C 3.37Å; Y162-T170 WeakPolarHBondContact O-CA 3.11Å; T163-T170 WeakPolarHBondContact CG2-OG1 3.42Å; T163-T170 PolarHBondContact OG1-OG1 3.45Å
171Y92.4Very high91.6Very high17 Ų1746 Ų467%0.06726%0.261CS..EExtended strand (participates in β ladder)trans-114.8136.1-178.5-58.8-86.5000110.6V59 D128 F130 E161 Y162 N164 V169V59-Y171 HydrophobicContact CG2-CD1 4.03Å; V59-Y171 HydrophobicContact CG2-CE1 4.02Å; D128-Y171 WeakPolarHBondContact OD2-CE1 3.3Å; D128-Y171 PolarHBondContact OD2-OH 3.47Å; F130-Y171 HydrophobicContact CB-CD2 4.42Å; F130-Y171 HydrophobicContact CB-CE1 4.29Å; F130-Y171 HydrophobicContact CB-CE2 3.89Å; F130-Y171 AromaticContact CD1-CD1 3.57Å; F130-Y171 HydrophobicContact CD1-CD1 3.57Å; F130-Y171 HydrophobicContact CD1-CD2 4.4Å; F130-Y171 AromaticContact CD1-CE1 3.55Å; F130-Y171 HydrophobicContact CD1-CE1 3.55Å; F130-Y171 HydrophobicContact CD1-CE2 4.38Å; F130-Y171 HydrophobicContact CD1-CG 4Å; F130-Y171 AromaticContact CD1-CZ 3.97Å; F130-Y171 HydrophobicContact CD2-CD1 4.28Å; F130-Y171 AromaticContact CD2-CD2 3.76Å; F130-Y171 HydrophobicContact CD2-CD2 3.76Å; F130-Y171 HydrophobicContact CD2-CE2 4.1Å; F130-Y171 AromaticContact CD2-CG 3.84Å; F130-Y171 HydrophobicContact CD2-CG 3.84Å; F130-Y171 AromaticContact CE1-CD1 3.51Å; F130-Y171 HydrophobicContact CE1-CD1 3.51Å; F130-Y171 AromaticContact CE1-CE1 3.97Å; F130-Y171 HydrophobicContact CE1-CE1 3.97Å; F130-Y171 AromaticContact CE1-CG 3.9Å; F130-Y171 HydrophobicContact CE1-CG 3.9Å; F130-Y171 HydrophobicContact CE2-CD1 4.21Å; F130-Y171 HydrophobicContact CE2-CD2 4.05Å; F130-Y171 AromaticContact CE2-CG 3.72Å; F130-Y171 HydrophobicContact CE2-CG 3.72Å; F130-Y171 AromaticContact CG-CD1 3.98Å; F130-Y171 HydrophobicContact CG-CD1 3.98Å; F130-Y171 AromaticContact CG-CD2 3.95Å; F130-Y171 HydrophobicContact CG-CD2 3.95Å; F130-Y171 AromaticContact CG-CE1 3.91Å; F130-Y171 HydrophobicContact CG-CE1 3.91Å; F130-Y171 AromaticContact CG-CE2 3.88Å; F130-Y171 HydrophobicContact CG-CE2 3.88Å; F130-Y171 AromaticContact CG-CG 3.98Å; F130-Y171 HydrophobicContact CG-CG 3.98Å; F130-Y171 AromaticContact CG-CZ 3.85Å; F130-Y171 AromaticContact CZ-CD1 3.85Å; F130-Y171 HydrophobicContact CZ-CD1 3.85Å; F130-Y171 HydrophobicContact CZ-CD2 4.49Å; F130-Y171 AromaticContact CZ-CG 3.75Å; F130-Y171 HydrophobicContact CZ-CG 3.75Å; E161-Y171 CarbonylContact C-O 3.53Å; E161-Y171 WeakPolarHBondContact CA-O 3.39Å; Y162-Y171 PolarHBondContact N-O 2.81Å; Y162-Y171 PolarHBondContact O-N 3.09Å; N164-Y171 HydrophobicContact CB-CE2 4.2Å; V169-Y171 HydrophobicContact CB-CE2 3.82Å; V169-Y171 HydrophobicContact CG1-CD2 4.3Å; V169-Y171 HydrophobicContact CG1-CE1 3.92Å; V169-Y171 HydrophobicContact CG1-CE2 3.65Å; V169-Y171 VanDerWaalsContact CG1-CZ 3.44Å
172Q92.9Very high91.7Very high60 Ų6042.8 Ų42.828%0.2825%0.247SC..EExtended strand (participates in β ladder)trans-98.1127.7170.7-68.4-170.4-9.400111M76 V78 F160 E161M76-Q172 HydrophobicContact SD-CB 3.97Å; M76-Q172 HydrophobicContact SD-CG 4.42Å; V78-Q172 WeakPolarHBondContact CG2-O 3.17Å; F160-Q172 CarbonylContact O-C 3.57Å; F160-Q172 VanDerWaalsContact O-CA 3.29Å; F160-Q172 WeakPolarHBondContact O-CA 3.35Å; E161-Q172 HydrophobicContact CG-CG 4.16Å; E161-Q172 PolarHBondContact OE1-NE2 3.38Å
173I92.1Very high91.7Very high0 Ų042.2 Ų42.20%025%0.245CC..EExtended strand (participates in β ladder)trans-118.9120.6177.4-54.3128.6000108.2F57 V78 F130 V132 F137 F160 T177 A178F57-I173 HydrophobicContact CE1-CG2 4.33Å; V78-I173 HydrophobicContact CG2-CG1 4.14Å; F130-I173 HydrophobicContact CE2-CD1 4.25Å; F130-I173 HydrophobicContact CE2-CG1 4.44Å; F130-I173 HydrophobicContact CZ-CG1 4.28Å; V132-I173 HydrophobicContact CG2-CD1 3.99Å; F137-I173 HydrophobicContact CE1-CD1 4.14Å; F137-I173 HydrophobicContact CE1-CG2 4.2Å; F137-I173 HydrophobicContact CZ-CD1 4.16Å; F160-I173 HydrophobicContact CB-CB 4.36Å; F160-I173 PolarHBondContact N-O 2.96Å; F160-I173 PolarHBondContact O-N 3.26Å; I173-T177 HydrophobicContact CG2-CG2 3.96Å; I173-A178 HydrophobicContact CG2-CB 4.24Å
174K89.9Confident91.7Very high51 Ų5138.6 Ų38.622%0.22222%0.223CC..EExtended strand (participates in β ladder)trans-143173.7-173.566.6-175.1175.6-167.50115.4A75 H158 I159 A178A75-K174 WeakPolarHBondContact O-CE 3.34Å; A75-K174 PolarHBondContact O-NZ 3.06Å; H158-K174 WeakPolarHBondContact O-CA 3.49Å; H158-K174 WeakPolarHBondContact O-CB 3.48Å; I159-K174 HydrophobicContact CG1-CB 4.07Å; K174-A178 PolarHBondContact O-N 2.79Å
175G87.9Confident91.9Very high18 Ų1837.7 Ų37.719%0.18622%0.218CC..Hα-helixtrans63.3-140.3172.600000113.4N157 H158 T177 A178 N179N157-G175 WeakPolarHBondContact OD1-CA 3.41Å; N157-G175 PolarHBondContact OD1-N 3.49Å; N157-G175 VanDerWaalsContact OD1-N 3.08Å; H158-G175 PolarHBondContact O-N 3.22Å; G175-T177 VanDerWaalsContact C-N 3.28Å; G175-T177 PolarHBondContact O-N 2.91Å; G175-A178 PolarHBondContact O-N 3.09Å; G175-N179 PolarHBondContact O-N 2.94Å
176M85.3Confident92.2Very high59 Ų5933.5 Ų33.529%0.29119%0.189SC..Hα-helixtrans-59.8-38.4-178.5-172.8-172.663.700112.2C99 I106 A178 N179 L180C99-M176 HydrophobicContact CB-CG 4.14Å; C99-M176 HydrophobicContact CB-SD 3.42Å; C99-M176 WeakPolarHBondContact CB-SD 3.34Å; I106-M176 HydrophobicContact CB-SD 4.33Å; I106-M176 HydrophobicContact CD1-CE 3.53Å; I106-M176 HydrophobicContact CD1-SD 3.63Å; I106-M176 HydrophobicContact CG2-CE 4.09Å; I106-M176 HydrophobicContact CG2-SD 4.26Å; M176-A178 VanDerWaalsContact C-N 3.34Å; M176-A178 PolarHBondContact O-N 3.48Å; M176-N179 PolarHBondContact O-N 3.19Å; M176-L180 HydrophobicContact CG-CD1 4.14Å; M176-L180 HydrophobicContact CG-CG 4.4Å; M176-L180 WeakPolarHBondContact O-CG 3.46Å; M176-L180 PolarHBondContact O-N 3.2Å
177T88.1Confident92.4Very high15 Ų1527.4 Ų27.49%0.09216%0.16CC..Hα-helixtrans-59.2-47177-57.70000110.9F57 V78 F80 I173 G175 L180 A181F57-T177 HydrophobicContact CD1-CG2 4.15Å; F57-T177 HydrophobicContact CE1-CG2 3.75Å; V78-T177 HydrophobicContact CB-CG2 4.28Å; V78-T177 HydrophobicContact CG1-CG2 4.44Å; V78-T177 VanDerWaalsContact O-CG2 3.26Å; V78-T177 WeakPolarHBondContact O-CG2 3.42Å; V78-T177 PolarHBondContact O-OG1 2.77Å; F80-T177 HydrophobicContact CD2-CG2 4.27Å; F80-T177 HydrophobicContact CE2-CG2 3.73Å; F80-T177 HydrophobicContact CZ-CG2 4.01Å; I173-T177 HydrophobicContact CG2-CG2 3.96Å; G175-T177 VanDerWaalsContact C-N 3.28Å; G175-T177 PolarHBondContact O-N 2.91Å; T177-L180 PolarHBondContact O-N 3.41Å; T177-A181 WeakPolarHBondContact O-CB 3.1Å; T177-A181 PolarHBondContact O-N 2.93Å
178A91.7Very high92.6Very high0 Ų023.5 Ų23.50%014%0.14CC..Hα-helixtrans-63.2-45.2177.100000111.9H158 F160 I173 K174 G175 M176 L180 A181 V182H158-A178 HydrophobicContact CB-CB 3.92Å; F160-A178 HydrophobicContact CD2-CB 3.79Å; F160-A178 HydrophobicContact CE2-CB 3.86Å; I173-A178 HydrophobicContact CG2-CB 4.24Å; K174-A178 PolarHBondContact O-N 2.79Å; G175-A178 PolarHBondContact O-N 3.09Å; M176-A178 VanDerWaalsContact C-N 3.34Å; M176-A178 PolarHBondContact O-N 3.48Å; A178-L180 VanDerWaalsContact C-N 3.33Å; A178-L180 PolarHBondContact O-N 3.32Å; A178-A181 PolarHBondContact O-N 3.14Å; A178-V182 VanDerWaalsContact O-CG2 3.31Å; A178-V182 WeakPolarHBondContact O-CG2 3.23Å; A178-V182 PolarHBondContact O-N 2.77Å
179N90.9Very high92.7Very high39 Ų3923.5 Ų23.521%0.20913%0.128CC..Hα-helixtrans-59.4-42.3178.2-72.5-21000112.4I156 H158 G175 M176 L183I156-N179 PolarHBondContact O-ND2 2.62Å; I156-N179 VanDerWaalsContact O-ND2 3.09Å; I156-N179 PolarHBondContact O-OD1 2.83Å; H158-N179 PolarHBondContact CD2-OD1 2.91Å; G175-N179 PolarHBondContact O-N 2.94Å; M176-N179 PolarHBondContact O-N 3.19Å; N179-L183 WeakPolarHBondContact O-CB 3.37Å; N179-L183 PolarHBondContact O-N 3.12Å
180L91.4Very high92.8Very high6 Ų626 Ų263%0.03114%0.135CC..Hα-helixtrans-68.2-38.6176.4-68171000112.1V42 L44 F80 P108 M176 T177 A178 L183 V184V42-L180 HydrophobicContact CG2-CD1 4.26Å; L44-L180 HydrophobicContact CD2-CB 3.81Å; F80-L180 HydrophobicContact CD2-CD1 4.38Å; F80-L180 HydrophobicContact CE2-CB 4.08Å; F80-L180 HydrophobicContact CE2-CD1 4.11Å; P108-L180 HydrophobicContact CB-CD1 3.98Å; P108-L180 HydrophobicContact CB-CD2 4Å; P108-L180 HydrophobicContact CG-CD1 4.5Å; P108-L180 HydrophobicContact CG-CD2 3.8Å; M176-L180 HydrophobicContact CG-CD1 4.14Å; M176-L180 HydrophobicContact CG-CG 4.4Å; M176-L180 WeakPolarHBondContact O-CG 3.46Å; M176-L180 PolarHBondContact O-N 3.2Å; T177-L180 PolarHBondContact O-N 3.41Å; A178-L180 VanDerWaalsContact C-N 3.33Å; A178-L180 PolarHBondContact O-N 3.32Å; L180-L183 PolarHBondContact O-N 3.34Å; L180-V184 WeakPolarHBondContact O-CG2 3.32Å; L180-V184 PolarHBondContact O-N 3.48Å
181A95.3Very high92.9Very high0 Ų028.5 Ų28.50%014%0.139CC..Hα-helixtrans-63.1-43.4176.300000111.9L55 F57 F137 T177 A178 A185L55-A181 HydrophobicContact CD1-CB 3.8Å; F57-A181 HydrophobicContact CZ-CB 4.24Å; F137-A181 HydrophobicContact CD1-CB 3.7Å; F137-A181 HydrophobicContact CD2-CB 3.95Å; F137-A181 HydrophobicContact CE1-CB 3.74Å; F137-A181 HydrophobicContact CE2-CB 3.99Å; F137-A181 HydrophobicContact CG-CB 3.81Å; F137-A181 HydrophobicContact CZ-CB 3.9Å; T177-A181 WeakPolarHBondContact O-CB 3.1Å; T177-A181 PolarHBondContact O-N 2.93Å; A178-A181 PolarHBondContact O-N 3.14Å; A181-A185 VanDerWaalsContact O-CB 3.25Å; A181-A185 WeakPolarHBondContact O-CB 3.27Å; A181-A185 PolarHBondContact O-N 3.47Å
182V96.2Very high93.1Very high1 Ų134.5 Ų34.51%0.00617%0.166CC..Hα-helixtrans-62-45.7174.5175.10000111.1F137 F160 A178 A185 F186 F195 V197 F199F137-V182 HydrophobicContact CB-CG2 4.26Å; F160-V182 HydrophobicContact CE2-CG2 3.76Å; F160-V182 HydrophobicContact CZ-CG2 3.58Å; A178-V182 VanDerWaalsContact O-CG2 3.31Å; A178-V182 WeakPolarHBondContact O-CG2 3.23Å; A178-V182 PolarHBondContact O-N 2.77Å; V182-A185 PolarHBondContact O-N 3.12Å; V182-F186 WeakPolarHBondContact O-CB 3.09Å; V182-F186 PolarHBondContact O-N 3.39Å; V182-F195 HydrophobicContact CG1-CE2 4.17Å; V182-F195 HydrophobicContact CG1-CZ 4.29Å; V182-F195 HydrophobicContact CG2-CE2 4.16Å; V182-F195 HydrophobicContact CG2-CZ 3.98Å; V182-V197 HydrophobicContact CG1-CG1 3.73Å; V182-F199 HydrophobicContact CG1-CE1 4.45Å; V182-F199 HydrophobicContact CG1-CZ 4.37Å
183L94.2Very high93.3Very high10 Ų1032.4 Ų32.45%0.05216%0.157CC..Hα-helixtrans-58.9-50.1178.3177.162.9000111.7C96 N179 L180 A185 F186 I187 F199 V204C96-L183 HydrophobicContact CB-CD2 4.26Å; N179-L183 WeakPolarHBondContact O-CB 3.37Å; N179-L183 PolarHBondContact O-N 3.12Å; L180-L183 PolarHBondContact O-N 3.34Å; L183-A185 VanDerWaalsContact C-N 3.34Å; L183-A185 PolarHBondContact O-N 2.94Å; L183-F186 PolarHBondContact O-N 3.06Å; L183-I187 HydrophobicContact CD1-CD1 3.84Å; L183-I187 HydrophobicContact CD1-CG1 4.3Å; L183-I187 HydrophobicContact CG-CD1 3.89Å; L183-I187 WeakPolarHBondContact O-CG1 3.45Å; L183-I187 PolarHBondContact O-N 2.93Å; L183-F199 HydrophobicContact CB-CE1 3.93Å; L183-F199 HydrophobicContact CB-CZ 4.45Å; L183-F199 HydrophobicContact CD1-CD1 3.95Å; L183-F199 HydrophobicContact CD1-CE1 3.78Å; L183-F199 HydrophobicContact CD1-CE2 4.34Å; L183-F199 HydrophobicContact CD1-CG 4.32Å; L183-F199 HydrophobicContact CD1-CZ 3.99Å; L183-F199 HydrophobicContact CG-CE1 4.47Å; L183-V204 HydrophobicContact CD1-CG1 3.42Å; L183-V204 VanDerWaalsContact CD1-CG1 3.42Å
184V95Very high93.4Very high0 Ų036.9 Ų36.90%019%0.185CC..Hα-helixtrans-63.7-41.3178.5170.90000111.1L44 L46 V110 L134 L180 F186 I187 I188L44-V184 HydrophobicContact CD2-CG2 3.72Å; L46-V184 HydrophobicContact CD1-CG1 4.4Å; L46-V184 HydrophobicContact CD2-CG1 4.31Å; V110-V184 HydrophobicContact CG2-CG2 3.95Å; L134-V184 HydrophobicContact CD1-CG1 4.23Å; L180-V184 WeakPolarHBondContact O-CG2 3.32Å; L180-V184 PolarHBondContact O-N 3.48Å; V184-F186 VanDerWaalsContact C-N 3.34Å; V184-F186 PolarHBondContact O-N 3.27Å; V184-I187 PolarHBondContact O-N 2.8Å; V184-I188 HydrophobicContact CG1-CD1 3.55Å; V184-I188 HydrophobicContact CG1-CG1 4.4Å; V184-I188 WeakPolarHBondContact O-CB 3.42Å; V184-I188 WeakPolarHBondContact O-CG1 3.25Å; V184-I188 PolarHBondContact O-N 3.28Å
185A96.9Very high93.7Very high0 Ų035.7 Ų35.70%018%0.18CC..Hα-helixtrans-61.6-43.8176.300000111.6L134 F137 L138 A181 V182 L183 L189L134-A185 HydrophobicContact CD1-CB 3.68Å; L134-A185 HydrophobicContact CG-CB 3.83Å; L134-A185 WeakPolarHBondContact O-CB 3.32Å; F137-A185 HydrophobicContact CB-CB 4.03Å; L138-A185 HydrophobicContact CD1-CB 4.16Å; L138-A185 HydrophobicContact CD2-CB 4.03Å; L138-A185 HydrophobicContact CG-CB 3.82Å; A181-A185 VanDerWaalsContact O-CB 3.25Å; A181-A185 WeakPolarHBondContact O-CB 3.27Å; A181-A185 PolarHBondContact O-N 3.47Å; V182-A185 PolarHBondContact O-N 3.12Å; L183-A185 VanDerWaalsContact C-N 3.34Å; L183-A185 PolarHBondContact O-N 2.94Å; A185-L189 WeakPolarHBondContact O-CB 3.29Å; A185-L189 WeakPolarHBondContact O-CG 3.48Å; A185-L189 PolarHBondContact O-N 3.32Å
186F96.2Very high94.1Very high20 Ų2039.8 Ų39.89%0.08819%0.194CC..Hα-helixtrans-63.2-48177.6-178.2-100.3000111.8L138 V182 L183 V184 I188 E190 K191 F199 L201 V204L138-F186 HydrophobicContact CD2-CB 4.24Å; V182-F186 WeakPolarHBondContact O-CB 3.09Å; V182-F186 PolarHBondContact O-N 3.39Å; L183-F186 PolarHBondContact O-N 3.06Å; V184-F186 VanDerWaalsContact C-N 3.34Å; V184-F186 PolarHBondContact O-N 3.27Å; F186-I188 VanDerWaalsContact C-N 3.33Å; F186-I188 PolarHBondContact O-N 2.8Å; F186-E190 VanDerWaalsContact O-CA 3.23Å; F186-E190 WeakPolarHBondContact O-CA 3.01Å; F186-E190 PolarHBondContact O-N 3.45Å; F186-K191 VanDerWaalsContact CD2-O 3.26Å; F186-K191 WeakPolarHBondContact CD2-O 3.47Å; F186-F199 HydrophobicContact CB-CE2 4.31Å; F186-F199 HydrophobicContact CB-CZ 4.07Å; F186-F199 AromaticContact CD1-CE2 3.77Å; F186-F199 HydrophobicContact CD1-CE2 3.77Å; F186-F199 HydrophobicContact CD1-CZ 4.36Å; F186-F199 HydrophobicContact CE1-CE2 4.34Å; F186-F199 HydrophobicContact CG-CE2 4Å; F186-F199 HydrophobicContact CG-CZ 4.26Å; F186-L201 HydrophobicContact CD2-CD2 3.94Å; F186-L201 HydrophobicContact CE1-CD2 4.41Å; F186-L201 HydrophobicContact CE2-CB 4.43Å; F186-L201 HydrophobicContact CE2-CD2 3.63Å; F186-L201 HydrophobicContact CG-CD2 4.48Å; F186-L201 HydrophobicContact CZ-CB 4.06Å; F186-L201 HydrophobicContact CZ-CD2 3.87Å; F186-L201 WeakPolarHBondContact CZ-O 3.22Å; F186-V204 HydrophobicContact CD1-CG2 3.75Å; F186-V204 HydrophobicContact CE1-CG2 3.41Å; F186-V204 VanDerWaalsContact CE1-CG2 3.41Å
187I94.2Very high94.5Very high3 Ų338.2 Ų38.22%0.01519%0.188CC..Hα-helixtrans-59.4-44179.4-72.8167.9000111.5R22 L23 Y26 L183 V184R22-I187 HydrophobicContact CB-CG2 4.5Å; L23-I187 HydrophobicContact CD2-CG2 3.99Å; Y26-I187 HydrophobicContact CD1-CD1 4.13Å; Y26-I187 HydrophobicContact CD1-CG1 4.41Å; Y26-I187 HydrophobicContact CD2-CB 4.32Å; Y26-I187 HydrophobicContact CD2-CD1 3.92Å; Y26-I187 HydrophobicContact CD2-CG1 3.91Å; Y26-I187 HydrophobicContact CD2-CG2 3.48Å; Y26-I187 VanDerWaalsContact CD2-CG2 3.48Å; Y26-I187 HydrophobicContact CE1-CG1 4.36Å; Y26-I187 HydrophobicContact CE2-CB 4.2Å; Y26-I187 HydrophobicContact CE2-CD1 4.34Å; Y26-I187 HydrophobicContact CE2-CG1 3.83Å; Y26-I187 HydrophobicContact CE2-CG2 3.56Å; Y26-I187 HydrophobicContact CG-CD1 3.78Å; Y26-I187 HydrophobicContact CG-CG1 4.19Å; Y26-I187 HydrophobicContact CG-CG2 4.41Å; L183-I187 HydrophobicContact CD1-CD1 3.84Å; L183-I187 HydrophobicContact CD1-CG1 4.3Å; L183-I187 HydrophobicContact CG-CD1 3.89Å; L183-I187 WeakPolarHBondContact O-CG1 3.45Å; L183-I187 PolarHBondContact O-N 2.93Å; V184-I187 PolarHBondContact O-N 2.8Å
188I95.4Very high94.5Very high7 Ų739.9 Ų39.94%0.03619%0.194CC..Hα-helixtrans-82.1-43.5-173.3-67172.4000111.3A19 R22 L23 L46 L53 L134 V184 F186A19-I188 HydrophobicContact CB-CD1 4.19Å; A19-I188 HydrophobicContact CB-CG1 4.32Å; A19-I188 HydrophobicContact CB-CG2 3.9Å; R22-I188 WeakPolarHBondContact CD-O 3.45Å; R22-I188 PolarHBondContact NE-O 3.35Å; R22-I188 PolarHBondContact NH1-O 3.13Å; L23-I188 HydrophobicContact CD1-CD1 4.08Å; L23-I188 HydrophobicContact CD1-CG1 4.44Å; L23-I188 HydrophobicContact CD2-CD1 4.25Å; L23-I188 HydrophobicContact CD2-CG1 4.19Å; L23-I188 HydrophobicContact CG-CD1 4.23Å; L23-I188 HydrophobicContact CG-CG1 4.1Å; L46-I188 HydrophobicContact CD1-CD1 3.37Å; L46-I188 HydrophobicContact CD2-CD1 4.17Å; L46-I188 HydrophobicContact CG-CD1 4.42Å; L53-I188 HydrophobicContact CD1-CG2 3.59Å; L134-I188 HydrophobicContact CD2-CB 3.95Å; L134-I188 HydrophobicContact CD2-CD1 3.96Å; L134-I188 HydrophobicContact CD2-CG2 3.9Å; V184-I188 HydrophobicContact CG1-CD1 3.55Å; V184-I188 HydrophobicContact CG1-CG1 4.4Å; V184-I188 WeakPolarHBondContact O-CB 3.42Å; V184-I188 WeakPolarHBondContact O-CG1 3.25Å; V184-I188 PolarHBondContact O-N 3.28Å; F186-I188 VanDerWaalsContact C-N 3.33Å; F186-I188 PolarHBondContact O-N 2.8Å
189L95.5Very high94.3Very high50 Ų5041 Ų4126%0.26220%0.199SC..Hα-helixtrans-91.4-17.7-173-56.4177.7000112.8L134 A135 L138 A185 K191L134-L189 HydrophobicContact CB-CD1 4.36Å; L134-L189 HydrophobicContact CD2-CD1 4.27Å; L134-L189 HydrophobicContact CD2-CD2 4.31Å; L134-L189 HydrophobicContact CD2-CG 4.08Å; L134-L189 HydrophobicContact CG-CD1 4.04Å; L134-L189 HydrophobicContact CG-CG 4.38Å; A135-L189 HydrophobicContact CB-CD1 3.92Å; L138-L189 HydrophobicContact CD1-CB 3.95Å; L138-L189 HydrophobicContact CD1-CD1 3.92Å; L138-L189 HydrophobicContact CD1-CG 4.49Å; A185-L189 WeakPolarHBondContact O-CB 3.29Å; A185-L189 WeakPolarHBondContact O-CG 3.48Å; A185-L189 PolarHBondContact O-N 3.32Å; L189-K191 PolarHBondContact O-N 3.22Å
190E94.3Very high94.2Very high114 Ų11443.1 Ų43.153%0.53321%0.211SC..  trans52.526.6-179.1-62.9170.7154.600113.2R22 F186R22-E190 IonicContact CZ-OE2 3.99Å; R22-E190 IonicContact NH1-OE1 2.86Å; R22-E190 IonicContact NH1-OE2 2.84Å; R22-E190 PolarHBondContact NH1-OE2 2.91Å; R22-E190 IonicContact NH2-OE2 2.62Å; F186-E190 VanDerWaalsContact O-CA 3.23Å; F186-E190 WeakPolarHBondContact O-CA 3.01Å; F186-E190 PolarHBondContact O-N 3.45Å
191K95.8Very high94.1Very high128 Ų12845.3 Ų45.356%0.55722%0.222SC*.PPolyproline II helixtrans-100.6139.7175.3-68.7-177.3-178.4-174.80109.6L138 F186 L189L138-K191 HydrophobicContact CD1-CB 3.88Å; L138-K191 WeakPolarHBondContact CD1-O 3.13Å; F186-K191 VanDerWaalsContact CD2-O 3.26Å; F186-K191 WeakPolarHBondContact CD2-O 3.47Å; L189-K191 PolarHBondContact O-N 3.22Å
192K95.8Very high93.8Very high143 Ų14352 Ų5262%0.62226%0.258SS*.PPolyproline II helixtrans-70.6136.3175.8-65.5-174.8178.2-178.10110.1H139 L201H139-K192 PolarHBondContact CE1-O 2.84Å; K192-L201 HydrophobicContact CG-CD1 4.41Å
193P96.4Very high93.5Very high16 Ų1656 Ų5610%0.10428%0.279CS..PPolyproline II helixtrans-69.2157172.328.2-31.9000111.1L138 F195 V197 L201L138-P193 HydrophobicContact CD2-CB 4.1Å; L138-P193 VanDerWaalsContact O-CA 3.3Å; L138-P193 WeakPolarHBondContact O-CA 3.37Å; P193-F195 HydrophobicContact CB-CD1 4.28Å; P193-F195 HydrophobicContact CB-CD2 4.3Å; P193-F195 HydrophobicContact CB-CE1 3.95Å; P193-F195 HydrophobicContact CB-CE2 3.98Å; P193-F195 HydrophobicContact CB-CG 4.43Å; P193-F195 HydrophobicContact CB-CZ 3.77Å; P193-F195 PolarHBondContact O-N 3.11Å; P193-V197 HydrophobicContact CB-CG1 4.38Å; P193-V197 HydrophobicContact CG-CG1 3.65Å; P193-L201 HydrophobicContact CG-CD2 4.33Å
194T95.4Very high93.3Very high94 Ų9455.8 Ų55.858%0.57728%0.279SS*.SBendtrans-81.88.5176.757.30000113.9L138 H139L138-T194 PolarHBondContact O-N 2.92Å; H139-T194 WeakPolarHBondContact CD2-CG2 3.28Å
195F96.3Very high92.9Very high27 Ų2758.9 Ų58.912%0.11830%0.295CS..SBendtrans-144.4171-173.853.2-96000110.2F137 P140 H143 H158 F160 V182 P193 V197F137-F195 VanDerWaalsContact O-CZ 3.25Å; F137-F195 WeakPolarHBondContact O-CZ 3.35Å; P140-F195 HydrophobicContact CG-CD1 4.25Å; P140-F195 HydrophobicContact CG-CE1 3.99Å; H143-F195 AromaticContact CE1-CD1 3.71Å; H143-F195 AromaticContact CE1-CD2 3.7Å; H143-F195 AromaticContact CE1-CG 3.36Å; H143-F195 WeakPolarHBondContact CE1-CG 3.17Å; H143-F195 AromaticContact ND1-CD1 3.85Å; H143-F195 AromaticContact ND1-CG 3.88Å; H143-F195 AromaticContact NE2-CD2 3.92Å; H143-F195 AromaticContact NE2-CG 3.93Å; H158-F195 AromaticContact CE1-CD2 3.64Å; H158-F195 AromaticContact CE1-CE2 3.69Å; H158-F195 AromaticContact NE2-CE2 3.92Å; F160-F195 AromaticContact CE1-CE1 3.95Å; F160-F195 HydrophobicContact CE1-CE1 3.95Å; F160-F195 AromaticContact CE1-CZ 3.94Å; F160-F195 HydrophobicContact CE1-CZ 3.94Å; F160-F195 HydrophobicContact CZ-CE1 4.08Å; F160-F195 HydrophobicContact CZ-CE2 4.19Å; F160-F195 AromaticContact CZ-CZ 3.59Å; F160-F195 HydrophobicContact CZ-CZ 3.59Å; V182-F195 HydrophobicContact CG1-CE2 4.17Å; V182-F195 HydrophobicContact CG1-CZ 4.29Å; V182-F195 HydrophobicContact CG2-CE2 4.16Å; V182-F195 HydrophobicContact CG2-CZ 3.98Å; P193-F195 HydrophobicContact CB-CD1 4.28Å; P193-F195 HydrophobicContact CB-CD2 4.3Å; P193-F195 HydrophobicContact CB-CE1 3.95Å; P193-F195 HydrophobicContact CB-CE2 3.98Å; P193-F195 HydrophobicContact CB-CG 4.43Å; P193-F195 HydrophobicContact CB-CZ 3.77Å; P193-F195 PolarHBondContact O-N 3.11Å; F195-V197 HydrophobicContact CD2-CG1 4.29Å; F195-V197 HydrophobicContact CE2-CG1 3.96Å
196E95.3Very high92.4Very high104 Ų10461 Ų6149%0.48631%0.313SS..  trans-74.1147.5-179.6-64.1-168.717200112.5Q145 Y147 I156 H158Q145-E196 PolarHBondContact OE1-O 3.31Å; Y147-E196 PolarHBondContact OH-OE2 2.98Å; I156-E196 HydrophobicContact CD1-CB 4.05Å; H158-E196 PolarHBondContact CE1-O 3.17Å
197V93.5Very high91.9Very high26 Ų2661.2 Ų61.216%0.15832%0.316CS..  trans-127.1160.4178.4-67.90000112.3V182 P193 F195 F199 L201V182-V197 HydrophobicContact CG1-CG1 3.73Å; P193-V197 HydrophobicContact CB-CG1 4.38Å; P193-V197 HydrophobicContact CG-CG1 3.65Å; F195-V197 HydrophobicContact CD2-CG1 4.29Å; F195-V197 HydrophobicContact CE2-CG1 3.96Å; V197-F199 VanDerWaalsContact C-N 3.34Å; V197-F199 HydrophobicContact CB-CD1 4.49Å; V197-F199 HydrophobicContact CB-CE1 4.21Å; V197-F199 HydrophobicContact CB-CZ 4.25Å; V197-F199 HydrophobicContact CG1-CZ 4.44Å; V197-F199 HydrophobicContact CG2-CD2 4.22Å; V197-F199 HydrophobicContact CG2-CE2 4.07Å; V197-F199 HydrophobicContact CG2-CZ 4.23Å; V197-F199 WeakPolarHBondContact CG2-O 3.42Å; V197-F199 PolarHBondContact O-N 3.34Å; V197-L201 HydrophobicContact CG2-CD2 3.54Å; V197-L201 HydrophobicContact CG2-CG 4.07Å
198Q88.3Confident91.6Very high49 Ų4961.5 Ų61.523%0.22932%0.318CS..SBendtrans-70.6-27.9-176.9-171.663.355.700113.9H153 R154 L211H153-Q198 PolarHBondContact NE2-NE2 3.15Å; R154-Q198 PolarHBondContact O-NE2 3.31Å; Q198-L211 HydrophobicContact CG-CD2 3.5Å; Q198-L211 VanDerWaalsContact CG-CD2 3.5Å
199F87.9Confident91.1Very high24 Ų2463.5 Ų63.511%0.10533%0.328CS..SBendtrans-103.9159.4-176.154.3-96.4000111.5V182 L183 F186 V197 L201 V204V182-F199 HydrophobicContact CG1-CE1 4.45Å; V182-F199 HydrophobicContact CG1-CZ 4.37Å; L183-F199 HydrophobicContact CB-CE1 3.93Å; L183-F199 HydrophobicContact CB-CZ 4.45Å; L183-F199 HydrophobicContact CD1-CD1 3.95Å; L183-F199 HydrophobicContact CD1-CE1 3.78Å; L183-F199 HydrophobicContact CD1-CE2 4.34Å; L183-F199 HydrophobicContact CD1-CG 4.32Å; L183-F199 HydrophobicContact CD1-CZ 3.99Å; L183-F199 HydrophobicContact CG-CE1 4.47Å; F186-F199 HydrophobicContact CB-CE2 4.31Å; F186-F199 HydrophobicContact CB-CZ 4.07Å; F186-F199 AromaticContact CD1-CE2 3.77Å; F186-F199 HydrophobicContact CD1-CE2 3.77Å; F186-F199 HydrophobicContact CD1-CZ 4.36Å; F186-F199 HydrophobicContact CE1-CE2 4.34Å; F186-F199 HydrophobicContact CG-CE2 4Å; F186-F199 HydrophobicContact CG-CZ 4.26Å; V197-F199 VanDerWaalsContact C-N 3.34Å; V197-F199 HydrophobicContact CB-CD1 4.49Å; V197-F199 HydrophobicContact CB-CE1 4.21Å; V197-F199 HydrophobicContact CB-CZ 4.25Å; V197-F199 HydrophobicContact CG1-CZ 4.44Å; V197-F199 HydrophobicContact CG2-CD2 4.22Å; V197-F199 HydrophobicContact CG2-CE2 4.07Å; V197-F199 HydrophobicContact CG2-CZ 4.23Å; V197-F199 WeakPolarHBondContact CG2-O 3.42Å; V197-F199 PolarHBondContact O-N 3.34Å; F199-L201 HydrophobicContact CD2-CD2 4.45Å; F199-L201 HydrophobicContact CE2-CD2 3.9Å; F199-L201 PolarHBondContact O-N 2.86Å; F199-V204 HydrophobicContact CD2-CB 4.44Å; F199-V204 HydrophobicContact CD2-CG1 4.12Å; F199-V204 HydrophobicContact CD2-CG2 3.91Å; F199-V204 HydrophobicContact CE2-CG2 4.15Å; F199-V204 HydrophobicContact CG-CG1 4.45Å
200N89Confident90.8Very high83 Ų8366 Ų6644%0.44434%0.338SS..  trans-76.2121.5175.4-172.8-21.4000110N202 D203 V204 S207N200-N202 PolarHBondContact O-N 2.59Å; N200-N202 PolarHBondContact OD1-N 3.16Å; N200-D203 CarbonylContact O-C 3.53Å; N200-D203 VanDerWaalsContact O-C 3.26Å; N200-D203 PolarHBondContact O-N 2.71Å; N200-D203 VanDerWaalsContact O-N 3.14Å; N200-V204 WeakPolarHBondContact O-CA 3.43Å; N200-V204 WeakPolarHBondContact O-CG2 3.42Å; N200-V204 PolarHBondContact O-N 3.26Å; N200-V204 VanDerWaalsContact O-N 3.16Å; N200-S207 PolarHBondContact N-OG 3.45Å
201L89.3Confident90.4Very high52 Ų5262.1 Ų62.127%0.27232%0.321SS..THydrogen-bonded Turntrans-61.2-25.2179.7-62.2178.4000113.5F186 K192 P193 V197 F199F186-L201 HydrophobicContact CD2-CD2 3.94Å; F186-L201 HydrophobicContact CE1-CD2 4.41Å; F186-L201 HydrophobicContact CE2-CB 4.43Å; F186-L201 HydrophobicContact CE2-CD2 3.63Å; F186-L201 HydrophobicContact CG-CD2 4.48Å; F186-L201 HydrophobicContact CZ-CB 4.06Å; F186-L201 HydrophobicContact CZ-CD2 3.87Å; F186-L201 WeakPolarHBondContact CZ-O 3.22Å; K192-L201 HydrophobicContact CG-CD1 4.41Å; P193-L201 HydrophobicContact CG-CD2 4.33Å; V197-L201 HydrophobicContact CG2-CD2 3.54Å; V197-L201 HydrophobicContact CG2-CG 4.07Å; F199-L201 HydrophobicContact CD2-CD2 4.45Å; F199-L201 HydrophobicContact CE2-CD2 3.9Å; F199-L201 PolarHBondContact O-N 2.86Å
202N89.2Confident89.9Confident142 Ų14256.4 Ų56.476%0.75930%0.296SS*.THydrogen-bonded Turntrans-93.2-15-180-58.9-35.4000112.8N200N200-N202 PolarHBondContact O-N 2.59Å; N200-N202 PolarHBondContact OD1-N 3.16Å
203D90.3Very high89.5Confident83 Ų8353.3 Ų53.344%0.44429%0.286SS..  trans-150.467.9-177-169.72.1000110.8N200 L205 A206 S207N200-D203 CarbonylContact O-C 3.53Å; N200-D203 VanDerWaalsContact O-C 3.26Å; N200-D203 PolarHBondContact O-N 2.71Å; N200-D203 VanDerWaalsContact O-N 3.14Å; D203-L205 PolarHBondContact O-N 3.1Å; D203-A206 VanDerWaalsContact OD1-CB 3.31Å; D203-A206 WeakPolarHBondContact OD1-CB 3.36Å; D203-A206 PolarHBondContact OD1-N 3.18Å; D203-A206 VanDerWaalsContact OD2-CB 3.28Å; D203-A206 WeakPolarHBondContact OD2-CB 3.39Å; D203-S207 VanDerWaalsContact O-CB 3.26Å; D203-S207 WeakPolarHBondContact O-CB 3.29Å; D203-S207 PolarHBondContact O-N 3.34Å; D203-S207 VanDerWaalsContact O-N 3.17Å; D203-S207 PolarHBondContact O-OG 2.97Å
204V88.8Confident89Confident7 Ų757.6 Ų57.64%0.04230%0.303CS..Hα-helixtrans-63-44.4-171.7176.10000111.5Y26 L183 F186 F199 N200 S207 S208Y26-V204 HydrophobicContact CD1-CG1 4.38Å; Y26-V204 HydrophobicContact CE1-CB 3.84Å; Y26-V204 HydrophobicContact CE1-CG1 4.04Å; L183-V204 HydrophobicContact CD1-CG1 3.42Å; L183-V204 VanDerWaalsContact CD1-CG1 3.42Å; F186-V204 HydrophobicContact CD1-CG2 3.75Å; F186-V204 HydrophobicContact CE1-CG2 3.41Å; F186-V204 VanDerWaalsContact CE1-CG2 3.41Å; F199-V204 HydrophobicContact CD2-CB 4.44Å; F199-V204 HydrophobicContact CD2-CG1 4.12Å; F199-V204 HydrophobicContact CD2-CG2 3.91Å; F199-V204 HydrophobicContact CE2-CG2 4.15Å; F199-V204 HydrophobicContact CG-CG1 4.45Å; N200-V204 WeakPolarHBondContact O-CA 3.43Å; N200-V204 WeakPolarHBondContact O-CG2 3.42Å; N200-V204 PolarHBondContact O-N 3.26Å; N200-V204 VanDerWaalsContact O-N 3.16Å; V204-S207 PolarHBondContact O-OG 2.86Å; V204-S208 WeakPolarHBondContact O-CB 3.35Å; V204-S208 PolarHBondContact O-N 3.14Å; V204-S208 PolarHBondContact O-OG 3.29Å
205L86.4Confident88.4Confident65 Ų6553.5 Ų53.534%0.3428%0.278SS..Hα-helixtrans-68.4-52-173.4-176.663.7000111.2Y26 I28 D203 S208 E209Y26-L205 HydrophobicContact CD1-CB 4.24Å; Y26-L205 HydrophobicContact CE1-CB 4.45Å; I28-L205 HydrophobicContact CG2-CD1 3.76Å; D203-L205 PolarHBondContact O-N 3.1Å; L205-S208 PolarHBondContact O-N 3.36Å; L205-E209 WeakPolarHBondContact O-CB 3.34Å; L205-E209 PolarHBondContact O-N 3.07Å
206A87Confident87.8Confident45 Ų4554 Ų5437%0.37228%0.28SS..Hα-helixtrans-67.1-42.6-176.800000111.6D203 S208 E209 E210D203-A206 VanDerWaalsContact OD1-CB 3.31Å; D203-A206 WeakPolarHBondContact OD1-CB 3.36Å; D203-A206 PolarHBondContact OD1-N 3.18Å; D203-A206 VanDerWaalsContact OD2-CB 3.28Å; D203-A206 WeakPolarHBondContact OD2-CB 3.39Å; A206-S208 VanDerWaalsContact C-N 3.31Å; A206-S208 PolarHBondContact O-N 2.86Å; A206-E209 PolarHBondContact O-N 3.26Å; A206-E210 VanDerWaalsContact O-CB 3.3Å; A206-E210 WeakPolarHBondContact O-CB 2.99Å; A206-E210 PolarHBondContact O-N 2.92Å
207S86.8Confident87.3Confident24 Ų2456.7 Ų56.717%0.16829%0.29CS..Hα-helixtrans-64.6-36.3178.162.20000112.7N200 D203 V204 L211N200-S207 PolarHBondContact N-OG 3.45Å; D203-S207 VanDerWaalsContact O-CB 3.26Å; D203-S207 WeakPolarHBondContact O-CB 3.29Å; D203-S207 PolarHBondContact O-N 3.34Å; D203-S207 VanDerWaalsContact O-N 3.17Å; D203-S207 PolarHBondContact O-OG 2.97Å; V204-S207 PolarHBondContact O-OG 2.86Å; S207-L211 WeakPolarHBondContact O-CB 3.43Å; S207-L211 PolarHBondContact O-N 3.37Å
208S85.9Confident86.8Confident8 Ų859.1 Ų59.16%0.05630%0.299CS..Hα-helixtrans-69.4-42.7175.7-65.40000112.2T97 V204 L205 A206 L211 F212T97-S208 WeakPolarHBondContact CG2-O 3.23Å; T97-S208 VanDerWaalsContact OG1-CB 3.28Å; T97-S208 WeakPolarHBondContact OG1-CB 3.37Å; V204-S208 WeakPolarHBondContact O-CB 3.35Å; V204-S208 PolarHBondContact O-N 3.14Å; V204-S208 PolarHBondContact O-OG 3.29Å; L205-S208 PolarHBondContact O-N 3.36Å; A206-S208 VanDerWaalsContact C-N 3.31Å; A206-S208 PolarHBondContact O-N 2.86Å; S208-L211 PolarHBondContact O-N 2.78Å; S208-F212 PolarHBondContact O-N 3.05Å
209E86.7Confident86.2Confident50 Ų5057.1 Ų57.123%0.23429%0.29CS..Hα-helixtrans-64.9-44.1175.6174.4164.7-178.800111.5K31 Y32 L205 A206 L211 F212 L213K31-E209 WeakPolarHBondContact CE-OE1 3.38Å; K31-E209 IonicContact NZ-OE1 3.86Å; K31-E209 PolarHBondContact NZ-OE1 2.77Å; K31-E209 IonicContact NZ-OE2 3.97Å; K31-E209 PolarHBondContact NZ-OE2 2.73Å; Y32-E209 WeakPolarHBondContact OH-CG 3.17Å; Y32-E209 PolarHBondContact OH-OE1 2.86Å; L205-E209 WeakPolarHBondContact O-CB 3.34Å; L205-E209 PolarHBondContact O-N 3.07Å; A206-E209 PolarHBondContact O-N 3.26Å; E209-L211 VanDerWaalsContact C-N 3.31Å; E209-L211 PolarHBondContact O-N 2.83Å; E209-F212 WeakPolarHBondContact O-CB 3.34Å; E209-F212 PolarHBondContact O-N 2.83Å; E209-L213 HydrophobicContact CG-CD1 3.97Å; E209-L213 HydrophobicContact CG-CG 4.34Å; E209-L213 WeakPolarHBondContact O-CG 3.34Å; E209-L213 PolarHBondContact O-N 2.88Å
210E87.4Confident85.7Confident101 Ų10158.6 Ų58.647%0.47230%0.302SS..Hα-helixtrans-60.2-43.3177.1-172.9-171.1177.900111.3A206 L213 K214A206-E210 VanDerWaalsContact O-CB 3.3Å; A206-E210 WeakPolarHBondContact O-CB 2.99Å; A206-E210 PolarHBondContact O-N 2.92Å; E210-L213 PolarHBondContact O-N 2.79Å; E210-K214 VanDerWaalsContact CD-NZ 3.31Å; E210-K214 HydrophobicContact CG-CD 4.28Å; E210-K214 WeakPolarHBondContact O-CB 2.98Å; E210-K214 VanDerWaalsContact O-CG 3.32Å; E210-K214 WeakPolarHBondContact O-CG 3.39Å; E210-K214 PolarHBondContact O-N 2.67Å; E210-K214 WeakPolarHBondContact OE1-CE 3.44Å; E210-K214 IonicContact OE1-NZ 3.95Å; E210-K214 PolarHBondContact OE1-NZ 2.79Å; E210-K214 IonicContact OE2-NZ 3.66Å
211L85.9Confident84.9Confident33 Ų3358.8 Ų58.817%0.17331%0.309CS..Hα-helixtrans-58.6-49174.9176.461.2000111.3H153 F155 Q198 S207 S208 E209 L213 K214 V215H153-L211 WeakPolarHBondContact CD2-CD1 3.47Å; H153-L211 WeakPolarHBondContact NE2-CD1 3.33Å; F155-L211 HydrophobicContact CE1-CD1 4.11Å; F155-L211 HydrophobicContact CE1-CD2 4.24Å; F155-L211 HydrophobicContact CE1-CG 4.43Å; F155-L211 HydrophobicContact CZ-CD1 4.43Å; Q198-L211 HydrophobicContact CG-CD2 3.5Å; Q198-L211 VanDerWaalsContact CG-CD2 3.5Å; S207-L211 WeakPolarHBondContact O-CB 3.43Å; S207-L211 PolarHBondContact O-N 3.37Å; S208-L211 PolarHBondContact O-N 2.78Å; E209-L211 VanDerWaalsContact C-N 3.31Å; E209-L211 PolarHBondContact O-N 2.83Å; L211-L213 PolarHBondContact O-N 2.99Å; L211-K214 PolarHBondContact O-N 3.01Å; L211-V215 HydrophobicContact CD1-CG2 4.26Å; L211-V215 WeakPolarHBondContact O-CG2 3.42Å; L211-V215 PolarHBondContact O-N 2.94Å; L211-V215 VanDerWaalsContact O-N 3.12Å
212F86.1Confident83.6Confident8 Ų864.8 Ų64.84%0.03533%0.328CS..Hα-helixtrans-56.6-50.5177.1171.6-100.1000111.4Y32 L35 T97 A98 E100 L105 S208 E209 K214 V215 H216Y32-F212 HydrophobicContact CD1-CD1 4.24Å; Y32-F212 AromaticContact CD1-CE1 3.46Å; Y32-F212 HydrophobicContact CD1-CE1 3.46Å; Y32-F212 VanDerWaalsContact CD1-CE1 3.46Å; Y32-F212 HydrophobicContact CD1-CZ 4.19Å; Y32-F212 HydrophobicContact CD2-CD1 4.36Å; Y32-F212 HydrophobicContact CD2-CE1 4.02Å; Y32-F212 HydrophobicContact CD2-CZ 4.48Å; Y32-F212 HydrophobicContact CE1-CD1 4.04Å; Y32-F212 AromaticContact CE1-CE1 3.68Å; Y32-F212 HydrophobicContact CE1-CE1 3.68Å; Y32-F212 HydrophobicContact CE2-CD1 4.18Å; Y32-F212 HydrophobicContact CE2-CE1 4.22Å; Y32-F212 HydrophobicContact CG-CD1 4.39Å; Y32-F212 AromaticContact CG-CE1 3.64Å; Y32-F212 HydrophobicContact CG-CE1 3.64Å; Y32-F212 HydrophobicContact CG-CZ 4.03Å; L35-F212 HydrophobicContact CD1-CE1 4.18Å; L35-F212 HydrophobicContact CD1-CZ 3.79Å; T97-F212 HydrophobicContact CG2-CB 4.45Å; A98-F212 HydrophobicContact CB-CD2 4.13Å; A98-F212 HydrophobicContact CB-CE2 3.87Å; A98-F212 HydrophobicContact CB-CZ 4.49Å; A98-F212 VanDerWaalsContact O-CD2 3.25Å; A98-F212 WeakPolarHBondContact O-CD2 3.29Å; E100-F212 HydrophobicContact CG-CD2 4.16Å; E100-F212 HydrophobicContact CG-CE2 3.68Å; E100-F212 WeakPolarHBondContact OE1-CE2 3.46Å; L105-F212 HydrophobicContact CD1-CE2 3.58Å; L105-F212 HydrophobicContact CD1-CZ 3.99Å; S208-F212 PolarHBondContact O-N 3.05Å; E209-F212 WeakPolarHBondContact O-CB 3.34Å; E209-F212 PolarHBondContact O-N 2.83Å; F212-K214 VanDerWaalsContact C-N 3.34Å; F212-K214 PolarHBondContact O-N 2.71Å; F212-V215 PolarHBondContact O-N 3.43Å; F212-H216 WeakPolarHBondContact O-CB 3.3Å; F212-H216 PolarHBondContact O-N 3.28Å
213L87.1Confident81.8Confident78 Ų7866.2 Ų66.241%0.40834%0.335SS..Hα-helixtrans-63.4-36.7-179-67.4174.4000113Y32 E209 E210 L211 K217Y32-L213 HydrophobicContact CE1-CD2 4.29Å; E209-L213 HydrophobicContact CG-CD1 3.97Å; E209-L213 HydrophobicContact CG-CG 4.34Å; E209-L213 WeakPolarHBondContact O-CG 3.34Å; E209-L213 PolarHBondContact O-N 2.88Å; E210-L213 PolarHBondContact O-N 2.79Å; L211-L213 PolarHBondContact O-N 2.99Å; L213-K217 WeakPolarHBondContact O-CB 3.48Å; L213-K217 PolarHBondContact O-N 2.94Å
214K86.1Confident81.4Confident106 Ų10665.4 Ų65.446%0.46133%0.33SS..Hα-helixtrans-62.6-42.9174.8-79174.7-179.2167.80111.8E210 L211 F212 K218E210-K214 VanDerWaalsContact CD-NZ 3.31Å; E210-K214 HydrophobicContact CG-CD 4.28Å; E210-K214 WeakPolarHBondContact O-CB 2.98Å; E210-K214 VanDerWaalsContact O-CG 3.32Å; E210-K214 WeakPolarHBondContact O-CG 3.39Å; E210-K214 PolarHBondContact O-N 2.67Å; E210-K214 WeakPolarHBondContact OE1-CE 3.44Å; E210-K214 IonicContact OE1-NZ 3.95Å; E210-K214 PolarHBondContact OE1-NZ 2.79Å; E210-K214 IonicContact OE2-NZ 3.66Å; L211-K214 PolarHBondContact O-N 3.01Å; F212-K214 VanDerWaalsContact C-N 3.34Å; F212-K214 PolarHBondContact O-N 2.71Å; K214-K218 PolarHBondContact O-N 3.15Å
215V83.5Confident81Confident9 Ų968.5 Ų68.56%0.05535%0.345CS..Hα-helixtrans-69.3-45.8179.1-1790000110E100 L151 F155 L211 F212 K217 K218 A219E100-V215 HydrophobicContact CB-CG1 4.11Å; E100-V215 WeakPolarHBondContact OE2-CG1 3.24Å; L151-V215 HydrophobicContact CB-CG1 4.43Å; L151-V215 HydrophobicContact CD1-CG1 3.51Å; F155-V215 HydrophobicContact CE1-CG2 4.46Å; F155-V215 HydrophobicContact CE2-CG2 4.48Å; F155-V215 HydrophobicContact CZ-CG2 3.63Å; L211-V215 HydrophobicContact CD1-CG2 4.26Å; L211-V215 WeakPolarHBondContact O-CG2 3.42Å; L211-V215 PolarHBondContact O-N 2.94Å; L211-V215 VanDerWaalsContact O-N 3.12Å; F212-V215 PolarHBondContact O-N 3.43Å; V215-K217 PolarHBondContact O-N 3.34Å; V215-K218 PolarHBondContact O-N 3.21Å; V215-K218 VanDerWaalsContact O-N 3.07Å; V215-A219 PolarHBondContact O-N 2.77Å
216H83.4Confident80.7Confident37 Ų3768.7 Ų68.717%0.17135%0.345CS..Hα-helixtrans-54.9-50.9177.1179.966.7000112.6Y37 E100 F212 K218 A219 T220Y37-H216 AromaticContact CE2-CE1 3.56Å; Y37-H216 AromaticContact CE2-ND1 3.41Å; Y37-H216 WeakPolarHBondContact CE2-ND1 3.47Å; Y37-H216 AromaticContact CZ-CE1 3.81Å; Y37-H216 AromaticContact CZ-ND1 3.51Å; Y37-H216 PolarHBondContact OH-CE1 2.82Å; Y37-H216 PolarHBondContact OH-ND1 3.19Å; E100-H216 WeakPolarHBondContact OE1-CB 3.15Å; E100-H216 IonicContact OE1-CG 2.86Å; E100-H216 IonicContact OE1-ND1 3.16Å; E100-H216 PolarHBondContact OE1-ND1 2.7Å; E100-H216 VanDerWaalsContact OE1-ND1 3.12Å; E100-H216 WeakPolarHBondContact OE2-CA 3.14Å; E100-H216 PolarHBondContact OE2-N 3.12Å; E100-H216 VanDerWaalsContact OE2-N 3.14Å; F212-H216 WeakPolarHBondContact O-CB 3.3Å; F212-H216 PolarHBondContact O-N 3.28Å; H216-K218 PolarHBondContact O-N 3.2Å; H216-A219 PolarHBondContact O-N 3.46Å; H216-T220 PolarHBondContact O-N 3.08Å; H216-T220 PolarHBondContact O-OG1 3.3Å
217K85.4Confident80.3Confident161 Ų16170.1 Ų70.170%0.734%0.343SS*.Hα-helixtrans-59.3-36.1178.5-175176.8-179.3177.90111.8L213 V215 T220 S221L213-K217 WeakPolarHBondContact O-CB 3.48Å; L213-K217 PolarHBondContact O-N 2.94Å; V215-K217 PolarHBondContact O-N 3.34Å; K217-T220 WeakPolarHBondContact CA-OG1 3.33Å; K217-T220 PolarHBondContact O-OG1 3.27Å; K217-S221 WeakPolarHBondContact O-CB 3.02Å; K217-S221 PolarHBondContact O-N 2.96Å; K217-S221 VanDerWaalsContact O-N 3.08Å; K217-S221 PolarHBondContact O-OG 3.29Å
218K81.8Confident79.9Confident77 Ų7772.9 Ų72.934%0.33535%0.354SS..Hα-helixtrans-79-36.4-178.9-165.4139.1169.1-172.50112.6L151 G152 K214 V215 H216 S221L151-K218 WeakPolarHBondContact O-CD 3.29Å; L151-K218 WeakPolarHBondContact O-CE 3.45Å; L151-K218 WeakPolarHBondContact O-CG 3.41Å; L151-K218 PolarHBondContact O-NZ 3.22Å; G152-K218 VanDerWaalsContact CA-NZ 3.27Å; G152-K218 PolarHBondContact O-NZ 3.37Å; G152-K218 VanDerWaalsContact O-NZ 3.11Å; K214-K218 PolarHBondContact O-N 3.15Å; V215-K218 PolarHBondContact O-N 3.21Å; V215-K218 VanDerWaalsContact O-N 3.07Å; H216-K218 PolarHBondContact O-N 3.2Å; K218-S221 WeakPolarHBondContact CA-OG 3.32Å; K218-S221 PolarHBondContact O-OG 3.27Å
219A76.1Confident79.5Confident6 Ų677.3 Ų77.35%0.0537%0.374CS..Hα-helixtrans-63-48.517300000110.9L151 V215 H216 S221 R222L151-A219 HydrophobicContact CD1-CB 4.36Å; V215-A219 PolarHBondContact O-N 2.77Å; H216-A219 PolarHBondContact O-N 3.46Å; A219-S221 PolarHBondContact O-N 3.16Å; A219-R222 PolarHBondContact O-N 2.9Å
220T77.5Confident79Confident56 Ų5679.2 Ų79.234%0.34438%0.384SS..Hα-helixtrans-67.7-31.3178.449.60000113.8H216 K217 R222 L223H216-T220 PolarHBondContact O-N 3.08Å; H216-T220 PolarHBondContact O-OG1 3.3Å; K217-T220 WeakPolarHBondContact CA-OG1 3.33Å; K217-T220 PolarHBondContact O-OG1 3.27Å; T220-R222 PolarHBondContact O-N 3.36Å; T220-L223 PolarHBondContact O-N 2.95Å
221S73.1Confident78.4Confident86 Ų8677.5 Ų77.560%0.60138%0.378SS*.THydrogen-bonded Turntrans-68.9-10.1174.369.40000115.2K217 K218 A219K217-S221 WeakPolarHBondContact O-CB 3.02Å; K217-S221 PolarHBondContact O-N 2.96Å; K217-S221 VanDerWaalsContact O-N 3.08Å; K217-S221 PolarHBondContact O-OG 3.29Å; K218-S221 WeakPolarHBondContact CA-OG 3.32Å; K218-S221 PolarHBondContact O-OG 3.27Å; A219-S221 PolarHBondContact O-N 3.16Å
222R60.8Low77.8Confident179 Ų17981.3 Ų81.368%0.67540%0.395SS*.THydrogen-bonded Turntrans-104.6-6.5179.7-70.8-177.5174-149.1-4.4113.2A219 T220A219-R222 PolarHBondContact O-N 2.9Å; T220-R222 PolarHBondContact O-N 3.36Å
223L52.2Low77Confident172 Ų17287.9 Ų87.990%0.90143%0.427SS*.  trans-880171.7-75163.3000109.4T220T220-L223 PolarHBondContact O-N 2.95Å

Retrieved 223 of 223 residues in 221 ms (Link to these results)

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