C4QC83_SCHMA Loading...

Lin-7-like proteins

AlphaFold DB , UniProt , Accession C4QC83, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 193 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.5Very low61.4Low234 Ų234102.9 Ų102.9100%1.15355%0.552SS**  0115.20-65.8-176.8-70.100105.7E3M1-E3 PolarHBondContact O-N 2.91Å
2A41.9Very low63Low106 Ų106100.6 Ų100.688%0.87654%0.539SS*.PPolyproline II helixtrans-63.6123.3176.900000107.7S4A2-S4 PolarHBondContact O-N 3.37Å
3E52.6Low64.4Low167 Ų167105.7 Ų105.778%0.7855%0.546SS*.PPolyproline II helixtrans-60.3136.7178.1-81.9-176.9134.600109.5M1 L5M1-E3 PolarHBondContact O-N 2.91Å; E3-L5 PolarHBondContact O-N 2.98Å; E3-L5 VanDerWaalsContact O-N 3.14Å
4S54.4Low65.6Low93 Ų93102.5 Ų102.565%0.6553%0.534SS*.PPolyproline II helixtrans-60.7117.4177.140.70000109.7A2 S6A2-S4 PolarHBondContact O-N 3.37Å; S4-S6 PolarHBondContact O-N 3.42Å
5L55.6Low66.5Low110 Ų11097.5 Ų97.558%0.57651%0.508SS*.  trans-56.2111.5171.5-74157.8000108.2E3 E64E3-L5 PolarHBondContact O-N 2.98Å; E3-L5 VanDerWaalsContact O-N 3.14Å; L5-E64 HydrophobicContact CD1-CB 4.02Å
6S69.6Low67.5Low42 Ų4298.9 Ų98.929%0.29451%0.511SS..  trans-125.1106.2-180159.60000106.3S4 Q8 R9 D10S4-S6 PolarHBondContact O-N 3.42Å; S6-Q8 PolarHBondContact O-N 3.44Å; S6-R9 WeakPolarHBondContact O-CA 3.45Å; S6-R9 WeakPolarHBondContact O-CB 3.49Å; S6-R9 PolarHBondContact O-N 2.91Å; S6-R9 PolarHBondContact OG-N 2.98Å; S6-D10 PolarHBondContact O-N 3.45Å; S6-D10 VanDerWaalsContact O-N 3.17Å
7L68.6Low68.3Low55 Ų5598.2 Ų98.229%0.28851%0.508SS..Hα-helixtrans-52-32.6-179.9-178.755.9000111.7D10 I11 R48 Y51L7-D10 PolarHBondContact O-N 3.4Å; L7-I11 HydrophobicContact CD1-CD1 4.3Å; L7-I11 HydrophobicContact CD1-CG1 4.42Å; L7-I11 HydrophobicContact CG-CD1 4.12Å; L7-I11 VanDerWaalsContact O-CG1 3.29Å; L7-I11 WeakPolarHBondContact O-CG1 3.35Å; L7-I11 PolarHBondContact O-N 3.13Å; L7-R48 HydrophobicContact CD2-CB 4.3Å; L7-R48 HydrophobicContact CD2-CG 3.79Å; L7-R48 HydrophobicContact CG-CG 4.31Å; L7-Y51 HydrophobicContact CD2-CD1 3.59Å; L7-Y51 HydrophobicContact CD2-CE1 4.16Å; L7-Y51 HydrophobicContact CD2-CG 3.91Å
8Q71.8Confident68.9Low78 Ų7893.4 Ų93.436%0.36448%0.483SS..Hα-helixtrans-61.7-43.1173.3-169.664.336.500113.1S6 N12S6-Q8 PolarHBondContact O-N 3.44Å; Q8-N12 PolarHBondContact NE2-OD1 3.28Å; Q8-N12 WeakPolarHBondContact O-CB 3.3Å; Q8-N12 VanDerWaalsContact O-CG 3.23Å; Q8-N12 PolarHBondContact O-N 2.63Å; Q8-N12 PolarHBondContact O-ND2 2.84Å
9R74.5Confident69.4Low144 Ų14494 Ų9454%0.54348%0.483SS..Hα-helixtrans-66.4-41.5177.3-74.3-178.2177.1-175.6-1.5111.2S6 N12 R13S6-R9 WeakPolarHBondContact O-CA 3.45Å; S6-R9 WeakPolarHBondContact O-CB 3.49Å; S6-R9 PolarHBondContact O-N 2.91Å; S6-R9 PolarHBondContact OG-N 2.98Å; R9-N12 PolarHBondContact O-N 3.49Å; R9-R13 WeakPolarHBondContact O-CB 3.26Å; R9-R13 PolarHBondContact O-N 3.23Å
10D77.3Confident69.8Low79 Ų7994.5 Ų94.542%0.42249%0.486SS..Hα-helixtrans-64-42.6178.3-66.7-31.5000111.1S6 L7 R13 V14S6-D10 PolarHBondContact O-N 3.45Å; S6-D10 VanDerWaalsContact O-N 3.17Å; L7-D10 PolarHBondContact O-N 3.4Å; D10-R13 PolarHBondContact O-N 3.16Å; D10-V14 VanDerWaalsContact O-CG2 3.29Å; D10-V14 WeakPolarHBondContact O-CG2 3.01Å; D10-V14 PolarHBondContact O-N 3.33Å
11I74.1Confident70.1Confident24 Ų2493.2 Ų93.212%0.12348%0.479CS..Hα-helixtrans-62.5-47.3175-69.7168.8000111.2L7 R13 V14 L15L7-I11 HydrophobicContact CD1-CD1 4.3Å; L7-I11 HydrophobicContact CD1-CG1 4.42Å; L7-I11 HydrophobicContact CG-CD1 4.12Å; L7-I11 VanDerWaalsContact O-CG1 3.29Å; L7-I11 WeakPolarHBondContact O-CG1 3.35Å; L7-I11 PolarHBondContact O-N 3.13Å; I11-R13 VanDerWaalsContact C-N 3.27Å; I11-R13 PolarHBondContact O-N 2.9Å; I11-V14 PolarHBondContact O-N 3.03Å; I11-V14 VanDerWaalsContact O-N 3.13Å; I11-L15 HydrophobicContact CG2-CD1 4.21Å; I11-L15 HydrophobicContact CG2-CG 4.47Å; I11-L15 WeakPolarHBondContact O-CG 3.38Å; I11-L15 PolarHBondContact O-N 3.38Å
12N79.9Confident71.9Confident75 Ų7586 Ų8640%0.40144%0.443SS..Hα-helixtrans-59.5-41.4177.7-72.6-13.3000111.2Q8 R9 L15 E16Q8-N12 PolarHBondContact NE2-OD1 3.28Å; Q8-N12 WeakPolarHBondContact O-CB 3.3Å; Q8-N12 VanDerWaalsContact O-CG 3.23Å; Q8-N12 PolarHBondContact O-N 2.63Å; Q8-N12 PolarHBondContact O-ND2 2.84Å; R9-N12 PolarHBondContact O-N 3.49Å; N12-L15 PolarHBondContact O-N 2.86Å; N12-E16 PolarHBondContact O-N 3.47Å
13R81.4Confident73.6Confident167 Ų16791.1 Ų91.163%0.6344%0.44SS*.Hα-helixtrans-65.5-38.8176.1-169.5166.8-176.9111.3-1.8112R9 D10 I11 E16 L17R9-R13 WeakPolarHBondContact O-CB 3.26Å; R9-R13 PolarHBondContact O-N 3.23Å; D10-R13 PolarHBondContact O-N 3.16Å; I11-R13 VanDerWaalsContact C-N 3.27Å; I11-R13 PolarHBondContact O-N 2.9Å; R13-E16 PolarHBondContact O-N 3.08Å; R13-L17 HydrophobicContact CG-CD1 4.38Å; R13-L17 WeakPolarHBondContact O-CB 3.41Å; R13-L17 WeakPolarHBondContact O-CG 3.47Å; R13-L17 PolarHBondContact O-N 3.36Å
14V81.4Confident74.6Confident61 Ų6185.8 Ų85.837%0.3742%0.42SS..Hα-helixtrans-62.6-44.9172.8171.70000110.4D10 I11 E16 L17 L18 L39D10-V14 VanDerWaalsContact O-CG2 3.29Å; D10-V14 WeakPolarHBondContact O-CG2 3.01Å; D10-V14 PolarHBondContact O-N 3.33Å; I11-V14 PolarHBondContact O-N 3.03Å; I11-V14 VanDerWaalsContact O-N 3.13Å; V14-E16 PolarHBondContact O-N 3.33Å; V14-L17 PolarHBondContact O-N 2.7Å; V14-L18 HydrophobicContact CG1-CD1 4.09Å; V14-L18 HydrophobicContact CG1-CG 4.26Å; V14-L18 VanDerWaalsContact O-CG 3.27Å; V14-L18 WeakPolarHBondContact O-CG 3.32Å; V14-L18 PolarHBondContact O-N 3.28Å; V14-L39 HydrophobicContact CB-CD1 4.5Å; V14-L39 HydrophobicContact CG1-CD1 3.56Å
15L79.3Confident75.4Confident27 Ų2787.7 Ų87.714%0.14143%0.43CS..Hα-helixtrans-59.7-44.9177.4-70.4172.6000112.1I11 N12 L17 L18 E19 Q36 L39 Q40I11-L15 HydrophobicContact CG2-CD1 4.21Å; I11-L15 HydrophobicContact CG2-CG 4.47Å; I11-L15 WeakPolarHBondContact O-CG 3.38Å; I11-L15 PolarHBondContact O-N 3.38Å; N12-L15 PolarHBondContact O-N 2.86Å; L15-L17 PolarHBondContact O-N 2.88Å; L15-L18 PolarHBondContact O-N 3Å; L15-E19 PolarHBondContact O-N 3.48Å; L15-Q36 HydrophobicContact CD2-CG 3.82Å; L15-L39 HydrophobicContact CD2-CB 3.79Å; L15-L39 HydrophobicContact CD2-CD1 3.92Å; L15-L39 HydrophobicContact CG-CD1 4.48Å; L15-Q40 HydrophobicContact CD1-CG 4.34Å; L15-Q40 HydrophobicContact CD2-CG 4.15Å
16E82.2Confident76.5Confident120 Ų12091.5 Ų91.556%0.56145%0.445SS*.Hα-helixtrans-59.2-44.9173.8-74.9177.4178.600111.9N12 R13 V14 L18 E19 I20N12-E16 PolarHBondContact O-N 3.47Å; R13-E16 PolarHBondContact O-N 3.08Å; V14-E16 PolarHBondContact O-N 3.33Å; E16-L18 VanDerWaalsContact C-N 3.3Å; E16-L18 PolarHBondContact O-N 3.29Å; E16-E19 PolarHBondContact O-N 3.32Å; E16-I20 WeakPolarHBondContact O-CG1 3.5Å; E16-I20 PolarHBondContact O-N 3.49Å; E16-I20 VanDerWaalsContact O-N 3.08Å
17L80.4Confident76.7Confident88 Ų8892.7 Ų92.746%0.46145%0.447SS..Hα-helixtrans-63.9-35.5177.3-70.8171.2000111.9R13 V14 L15 I20 L21R13-L17 HydrophobicContact CG-CD1 4.38Å; R13-L17 WeakPolarHBondContact O-CB 3.41Å; R13-L17 WeakPolarHBondContact O-CG 3.47Å; R13-L17 PolarHBondContact O-N 3.36Å; V14-L17 PolarHBondContact O-N 2.7Å; L15-L17 PolarHBondContact O-N 2.88Å; L17-I20 PolarHBondContact O-N 2.92Å; L17-L21 WeakPolarHBondContact O-CB 3.33Å; L17-L21 VanDerWaalsContact O-CG 3.24Å; L17-L21 WeakPolarHBondContact O-CG 3.3Å; L17-L21 PolarHBondContact O-N 2.71Å
18L79.2Confident77.2Confident11 Ų1195.4 Ų95.46%0.05846%0.459CS..Hα-helixtrans-66.9-38.5175.7-66.9173.8000111.9V14 L15 E16 I20 L21 Q22 L32 L35 L39V14-L18 HydrophobicContact CG1-CD1 4.09Å; V14-L18 HydrophobicContact CG1-CG 4.26Å; V14-L18 VanDerWaalsContact O-CG 3.27Å; V14-L18 WeakPolarHBondContact O-CG 3.32Å; V14-L18 PolarHBondContact O-N 3.28Å; L15-L18 PolarHBondContact O-N 3Å; E16-L18 VanDerWaalsContact C-N 3.3Å; E16-L18 PolarHBondContact O-N 3.29Å; L18-I20 VanDerWaalsContact C-N 3.31Å; L18-I20 PolarHBondContact O-N 3.05Å; L18-L21 HydrophobicContact CD2-CD1 4.42Å; L18-L21 PolarHBondContact O-N 3.14Å; L18-Q22 PolarHBondContact O-N 2.68Å; L18-L32 HydrophobicContact CB-CD2 3.98Å; L18-L32 HydrophobicContact CD2-CD2 3.47Å; L18-L32 VanDerWaalsContact CD2-CD2 3.47Å; L18-L32 HydrophobicContact CG-CD2 4.29Å; L18-L35 HydrophobicContact CD1-CD2 4.02Å; L18-L35 HydrophobicContact CD1-CG 4.04Å; L18-L35 HydrophobicContact CD2-CD2 3.69Å; L18-L39 HydrophobicContact CD1-CD1 3.5Å
19E78Confident77.5Confident105 Ų10596.2 Ų96.249%0.49147%0.471SS..Hα-helixtrans-64.1-37.2173.3-73-173.4178.100112.2L15 E16L15-E19 PolarHBondContact O-N 3.48Å; E16-E19 PolarHBondContact O-N 3.32Å
20I78.6Confident77.7Confident103 Ų10393.1 Ų93.153%0.52847%0.471SS..Hα-helixtrans-66.3-44.9173.9-64.9167.6000110.1E16 L17 L18 Q22 R23E16-I20 WeakPolarHBondContact O-CG1 3.5Å; E16-I20 PolarHBondContact O-N 3.49Å; E16-I20 VanDerWaalsContact O-N 3.08Å; L17-I20 PolarHBondContact O-N 2.92Å; L18-I20 VanDerWaalsContact C-N 3.31Å; L18-I20 PolarHBondContact O-N 3.05Å; I20-Q22 VanDerWaalsContact C-N 3.28Å; I20-Q22 PolarHBondContact O-N 3.37Å; I20-R23 VanDerWaalsContact O-CB 3.32Å; I20-R23 WeakPolarHBondContact O-CB 3.33Å; I20-R23 PolarHBondContact O-N 2.84Å
21L75.8Confident77.7Confident68 Ų6896.1 Ų96.136%0.35648%0.48SS..Hα-helixtrans-65.7-27.3179.6-73.5167.3000113.2L17 L18 R23 C24 I27 L32L17-L21 WeakPolarHBondContact O-CB 3.33Å; L17-L21 VanDerWaalsContact O-CG 3.24Å; L17-L21 WeakPolarHBondContact O-CG 3.3Å; L17-L21 PolarHBondContact O-N 2.71Å; L18-L21 HydrophobicContact CD2-CD1 4.42Å; L18-L21 PolarHBondContact O-N 3.14Å; L21-R23 PolarHBondContact O-N 3.05Å; L21-C24 WeakPolarHBondContact O-CB 3.33Å; L21-C24 PolarHBondContact O-N 2.73Å; L21-I27 HydrophobicContact CB-CD1 4.07Å; L21-I27 HydrophobicContact CD2-CD1 3.69Å; L21-I27 HydrophobicContact CG-CD1 4.38Å; L21-L32 HydrophobicContact CB-CD1 4.35Å; L21-L32 HydrophobicContact CB-CD2 3.99Å
22Q74.2Confident78Confident84 Ų8495.4 Ų95.439%0.39348%0.477SS..THydrogen-bonded Turntrans-61.6-20.5171-82.1176.8000113.2L18 I20 C24 L32L18-Q22 PolarHBondContact O-N 2.68Å; I20-Q22 VanDerWaalsContact C-N 3.28Å; I20-Q22 PolarHBondContact O-N 3.37Å; Q22-C24 VanDerWaalsContact C-N 3.31Å; Q22-L32 HydrophobicContact CB-CD1 4.5Å; Q22-L32 HydrophobicContact CG-CB 3.96Å; Q22-L32 HydrophobicContact CG-CD1 3.87Å; Q22-L32 HydrophobicContact CG-CD2 4.38Å; Q22-L32 HydrophobicContact CG-CG 4.31Å
23R76.3Confident78Confident213 Ų21393.7 Ų93.780%0.80447%0.473SS*.THydrogen-bonded Turntrans-83.5-7.4174.7-54.5-178.4-176.4-175.41.3112.7I20 L21I20-R23 VanDerWaalsContact O-CB 3.32Å; I20-R23 WeakPolarHBondContact O-CB 3.33Å; I20-R23 PolarHBondContact O-N 2.84Å; L21-R23 PolarHBondContact O-N 3.05Å
24C75Confident78.1Confident55 Ų5587.3 Ų87.337%0.37246%0.456SS..  trans-86.1123.2177-64.90000110.7L21 Q22 E26 I27L21-C24 WeakPolarHBondContact O-CB 3.33Å; L21-C24 PolarHBondContact O-N 2.73Å; Q22-C24 VanDerWaalsContact C-N 3.31Å; C24-E26 PolarHBondContact O-N 3.39Å; C24-I27 HydrophobicContact CB-CD1 4.33Å; C24-I27 PolarHBondContact O-N 2.96Å
25P70.9Confident78.1Confident133 Ų13388 Ų8886%0.86446%0.457SS*.THydrogen-bonded Turntrans-69.1-16.1-174.425.4-32.9000114.5
26E78.7Confident78.3Confident190 Ų19088.1 Ų88.189%0.88846%0.457SS*.THydrogen-bonded Turntrans-82.5-12.8-177.6-61.4-155.6159.100114.4C24C24-E26 PolarHBondContact O-N 3.39Å
27I73.1Confident78.5Confident66 Ų6690.8 Ų90.834%0.33846%0.462SS..SBendtrans-103.7128.1-174.7-55.1170.2000109.9L21 C24 P29 L32L21-I27 HydrophobicContact CB-CD1 4.07Å; L21-I27 HydrophobicContact CD2-CD1 3.69Å; L21-I27 HydrophobicContact CG-CD1 4.38Å; C24-I27 HydrophobicContact CB-CD1 4.33Å; C24-I27 PolarHBondContact O-N 2.96Å; I27-P29 VanDerWaalsContact O-CD 3.25Å; I27-P29 WeakPolarHBondContact O-CD 3.45Å; I27-L32 HydrophobicContact CB-CD1 3.89Å; I27-L32 HydrophobicContact CG2-CD1 3.35Å; I27-L32 HydrophobicContact CG2-CG 3.9Å
28Q78.6Confident78.7Confident113 Ų11390.8 Ų90.853%0.52846%0.461SS..  trans-61117.8177.1-69.5-177.5-0.700110.8S30 K31 L32Q28-S30 PolarHBondContact O-N 2.99Å; Q28-S30 VanDerWaalsContact O-N 3.14Å; Q28-K31 HydrophobicContact CB-CD 4.47Å; Q28-K31 HydrophobicContact CB-CG 4.32Å; Q28-K31 PolarHBondContact O-N 3.28Å; Q28-K31 VanDerWaalsContact O-N 3.1Å; Q28-L32 PolarHBondContact O-N 3.27Å
29P78Confident78.9Confident94 Ų9491.8 Ų91.861%0.6147%0.467SS*.Hα-helixtrans-59.9-30.7-176.5-24.733.6000113.2I27 K31 L32 A33I27-P29 VanDerWaalsContact O-CD 3.25Å; I27-P29 WeakPolarHBondContact O-CD 3.45Å; P29-K31 VanDerWaalsContact C-N 3.34Å; P29-K31 PolarHBondContact O-N 3.1Å; P29-L32 PolarHBondContact O-N 3.4Å; P29-A33 WeakPolarHBondContact O-CB 3.45Å; P29-A33 PolarHBondContact O-N 3.47Å
30S79.2Confident79.2Confident79 Ų7992.6 Ų92.655%0.55247%0.471SS*.Hα-helixtrans-62.8-36.8178.756.20000113.2Q28 A34Q28-S30 PolarHBondContact O-N 2.99Å; Q28-S30 VanDerWaalsContact O-N 3.14Å; S30-A34 WeakPolarHBondContact O-CB 3.22Å; S30-A34 PolarHBondContact O-N 3Å
31K77.8Confident79.6Confident142 Ų14289.4 Ų89.462%0.61746%0.457SS*.Hα-helixtrans-72.7-41.5178-68.2-173.3178.3-178.70111.4Q28 P29 A34 L35Q28-K31 HydrophobicContact CB-CD 4.47Å; Q28-K31 HydrophobicContact CB-CG 4.32Å; Q28-K31 PolarHBondContact O-N 3.28Å; Q28-K31 VanDerWaalsContact O-N 3.1Å; P29-K31 VanDerWaalsContact C-N 3.34Å; P29-K31 PolarHBondContact O-N 3.1Å; K31-A34 PolarHBondContact O-N 2.82Å; K31-L35 PolarHBondContact O-N 3.21Å
32L79.7Confident80.1Confident9 Ų992.4 Ų92.45%0.04747%0.474CS..Hα-helixtrans-60.7-48.2174.2-88.8155.4000111.4L18 L21 Q22 I27 Q28 P29 A34 L35 Q36L18-L32 HydrophobicContact CB-CD2 3.98Å; L18-L32 HydrophobicContact CD2-CD2 3.47Å; L18-L32 VanDerWaalsContact CD2-CD2 3.47Å; L18-L32 HydrophobicContact CG-CD2 4.29Å; L21-L32 HydrophobicContact CB-CD1 4.35Å; L21-L32 HydrophobicContact CB-CD2 3.99Å; Q22-L32 HydrophobicContact CB-CD1 4.5Å; Q22-L32 HydrophobicContact CG-CB 3.96Å; Q22-L32 HydrophobicContact CG-CD1 3.87Å; Q22-L32 HydrophobicContact CG-CD2 4.38Å; Q22-L32 HydrophobicContact CG-CG 4.31Å; I27-L32 HydrophobicContact CB-CD1 3.89Å; I27-L32 HydrophobicContact CG2-CD1 3.35Å; I27-L32 HydrophobicContact CG2-CG 3.9Å; Q28-L32 PolarHBondContact O-N 3.27Å; P29-L32 PolarHBondContact O-N 3.4Å; L32-A34 VanDerWaalsContact C-N 3.29Å; L32-A34 PolarHBondContact O-N 2.86Å; L32-L35 PolarHBondContact O-N 2.82Å; L32-Q36 WeakPolarHBondContact O-CB 3.4Å; L32-Q36 PolarHBondContact O-N 3.04Å
33A81Confident80.5Confident39 Ų3993.8 Ų93.832%0.32248%0.479SS..Hα-helixtrans-63.7-33.5177.200000112.7P29 R37P29-A33 WeakPolarHBondContact O-CB 3.45Å; P29-A33 PolarHBondContact O-N 3.47Å; A33-R37 WeakPolarHBondContact O-CB 3.41Å; A33-R37 VanDerWaalsContact O-CG 3.28Å; A33-R37 WeakPolarHBondContact O-CG 3.39Å; A33-R37 PolarHBondContact O-N 3.42Å; A33-R37 PolarHBondContact O-NE 3.05Å
34A82.5Confident80.8Confident33 Ų3384.5 Ų84.527%0.27345%0.446SS..Hα-helixtrans-65.6-45.7172.600000111.7S30 K31 L32 R37 I38S30-A34 WeakPolarHBondContact O-CB 3.22Å; S30-A34 PolarHBondContact O-N 3Å; K31-A34 PolarHBondContact O-N 2.82Å; L32-A34 VanDerWaalsContact C-N 3.29Å; L32-A34 PolarHBondContact O-N 2.86Å; A34-R37 PolarHBondContact O-N 2.98Å; A34-I38 WeakPolarHBondContact O-CG1 3.26Å; A34-I38 PolarHBondContact O-N 3.34Å
35L81.8Confident81.3Confident77 Ų7785.2 Ų85.240%0.40345%0.446SS..Hα-helixtrans-64.9-42.3178.5-175.160.9000112L18 K31 L32 R37 I38 L39L18-L35 HydrophobicContact CD1-CD2 4.02Å; L18-L35 HydrophobicContact CD1-CG 4.04Å; L18-L35 HydrophobicContact CD2-CD2 3.69Å; K31-L35 PolarHBondContact O-N 3.21Å; L32-L35 PolarHBondContact O-N 2.82Å; L35-R37 VanDerWaalsContact C-N 3.32Å; L35-R37 PolarHBondContact O-N 3.39Å; L35-I38 WeakPolarHBondContact O-CB 3.23Å; L35-I38 PolarHBondContact O-N 3.28Å; L35-I38 VanDerWaalsContact O-N 3.12Å; L35-L39 HydrophobicContact CG-CD1 4.31Å; L35-L39 WeakPolarHBondContact O-CG 3.47Å; L35-L39 PolarHBondContact O-N 2.83Å
36Q83.1Confident81.9Confident29 Ų2984.5 Ų84.514%0.13643%0.433CS..Hα-helixtrans-61.7-41.8177-154172.54.400111.1L15 L32 I38 L39 Q40L15-Q36 HydrophobicContact CD2-CG 3.82Å; L32-Q36 WeakPolarHBondContact O-CB 3.4Å; L32-Q36 PolarHBondContact O-N 3.04Å; Q36-I38 VanDerWaalsContact C-N 3.33Å; Q36-I38 PolarHBondContact O-N 3.02Å; Q36-L39 PolarHBondContact O-N 2.87Å; Q36-Q40 WeakPolarHBondContact O-CB 3.38Å; Q36-Q40 WeakPolarHBondContact O-CG 3.5Å; Q36-Q40 PolarHBondContact O-N 2.95Å
37R85.7Confident82.3Confident175 Ų17577.9 Ų77.966%0.6640%0.403SS*.Hα-helixtrans-61.8-38.2172.5-77.8-174.7-64.4161.10113A33 A34 L35 Q40 S41A33-R37 WeakPolarHBondContact O-CB 3.41Å; A33-R37 VanDerWaalsContact O-CG 3.28Å; A33-R37 WeakPolarHBondContact O-CG 3.39Å; A33-R37 PolarHBondContact O-N 3.42Å; A33-R37 PolarHBondContact O-NE 3.05Å; A34-R37 PolarHBondContact O-N 2.98Å; L35-R37 VanDerWaalsContact C-N 3.32Å; L35-R37 PolarHBondContact O-N 3.39Å; R37-Q40 PolarHBondContact O-N 3.17Å; R37-S41 VanDerWaalsContact O-CB 3.32Å; R37-S41 WeakPolarHBondContact O-CB 3.47Å; R37-S41 PolarHBondContact O-N 2.82Å; R37-S41 VanDerWaalsContact O-N 3.09Å
38I86Confident82.8Confident88 Ų8877 Ų7745%0.45140%0.395SS..Hα-helixtrans-65-49.5176.6-68.6164.9000109.9A34 L35 Q36 Q40 S41 C44A34-I38 WeakPolarHBondContact O-CG1 3.26Å; A34-I38 PolarHBondContact O-N 3.34Å; L35-I38 WeakPolarHBondContact O-CB 3.23Å; L35-I38 PolarHBondContact O-N 3.28Å; L35-I38 VanDerWaalsContact O-N 3.12Å; Q36-I38 VanDerWaalsContact C-N 3.33Å; Q36-I38 PolarHBondContact O-N 3.02Å; I38-Q40 PolarHBondContact O-N 3.44Å; I38-S41 WeakPolarHBondContact O-CB 3.47Å; I38-S41 PolarHBondContact O-N 2.94Å; I38-S41 PolarHBondContact O-OG 3.42Å; I38-C44 VanDerWaalsContact O-CB 3.22Å; I38-C44 WeakPolarHBondContact O-CB 3.34Å
39L83.1Confident83.2Confident33 Ų3377.5 Ų77.517%0.17340%0.398CS..Hα-helixtrans-63.3-25.6-179.3-69.8171.8000113.5V14 L15 L18 L35 Q36V14-L39 HydrophobicContact CB-CD1 4.5Å; V14-L39 HydrophobicContact CG1-CD1 3.56Å; L15-L39 HydrophobicContact CD2-CB 3.79Å; L15-L39 HydrophobicContact CD2-CD1 3.92Å; L15-L39 HydrophobicContact CG-CD1 4.48Å; L18-L39 HydrophobicContact CD1-CD1 3.5Å; L35-L39 HydrophobicContact CG-CD1 4.31Å; L35-L39 WeakPolarHBondContact O-CG 3.47Å; L35-L39 PolarHBondContact O-N 2.83Å; Q36-L39 PolarHBondContact O-N 2.87Å
40Q83.7Confident83.6Confident122 Ų12275.3 Ų75.357%0.5738%0.383SS*.THydrogen-bonded Turntrans-97.84.7176.7-66.4176.2-16.500113.5L15 Q36 R37 I38L15-Q40 HydrophobicContact CD1-CG 4.34Å; L15-Q40 HydrophobicContact CD2-CG 4.15Å; Q36-Q40 WeakPolarHBondContact O-CB 3.38Å; Q36-Q40 WeakPolarHBondContact O-CG 3.5Å; Q36-Q40 PolarHBondContact O-N 2.95Å; R37-Q40 PolarHBondContact O-N 3.17Å; I38-Q40 PolarHBondContact O-N 3.44Å
41S87.1Confident84Confident35 Ų3573.4 Ų73.425%0.24536%0.364CS..SBendtrans-86.2152-17867.10000112R37 I38 F43 C44 D45R37-S41 VanDerWaalsContact O-CB 3.32Å; R37-S41 WeakPolarHBondContact O-CB 3.47Å; R37-S41 PolarHBondContact O-N 2.82Å; R37-S41 VanDerWaalsContact O-N 3.09Å; I38-S41 WeakPolarHBondContact O-CB 3.47Å; I38-S41 PolarHBondContact O-N 2.94Å; I38-S41 PolarHBondContact O-OG 3.42Å; S41-F43 PolarHBondContact O-N 3.3Å; S41-F43 WeakPolarHBondContact OG-CB 3.4Å; S41-C44 PolarHBondContact O-N 3.37Å; S41-C44 PolarHBondContact OG-N 3.48Å; S41-D45 PolarHBondContact O-N 3.36Å
42D86.9Confident84.4Confident131 Ų13170.6 Ų70.670%0.70135%0.353SS*.Hα-helixtrans-50.7-29.1169.5-57.5-15.9000112.1D45 M46D42-D45 PolarHBondContact O-N 2.74Å; D42-M46 VanDerWaalsContact O-CG 3.28Å; D42-M46 WeakPolarHBondContact O-CG 3.35Å; D42-M46 PolarHBondContact O-N 3.34Å
43F82.2Confident84.7Confident114 Ų11476.3 Ų76.350%0.538%0.379SS..Hα-helixtrans-63.6-41.9174.9173.5-105.7000112.8S41 D45 M46 I47S41-F43 PolarHBondContact O-N 3.3Å; S41-F43 WeakPolarHBondContact OG-CB 3.4Å; F43-D45 VanDerWaalsContact C-N 3.34Å; F43-M46 PolarHBondContact O-N 2.79Å; F43-I47 HydrophobicContact CD1-CD1 3.81Å; F43-I47 HydrophobicContact CE1-CD1 3.3Å; F43-I47 HydrophobicContact CE1-CG1 4.41Å; F43-I47 HydrophobicContact CE2-CD1 4.12Å; F43-I47 HydrophobicContact CE2-CG1 4.48Å; F43-I47 HydrophobicContact CG-CD1 4.42Å; F43-I47 HydrophobicContact CZ-CD1 3.49Å; F43-I47 VanDerWaalsContact CZ-CD1 3.49Å; F43-I47 HydrophobicContact CZ-CG1 4.28Å; F43-I47 WeakPolarHBondContact O-CG1 3.37Å; F43-I47 PolarHBondContact O-N 2.91Å
44C83.4Confident85Confident18 Ų1875.8 Ų75.812%0.12237%0.37CS..Hα-helixtrans-69.8-35.1177-166.90000111.4I38 S41 I47 R48I38-C44 VanDerWaalsContact O-CB 3.22Å; I38-C44 WeakPolarHBondContact O-CB 3.34Å; S41-C44 PolarHBondContact O-N 3.37Å; S41-C44 PolarHBondContact OG-N 3.48Å; C44-I47 PolarHBondContact O-N 3.06Å; C44-R48 PolarHBondContact O-N 2.95Å
45D84.4Confident85.1Confident69 Ų6976.3 Ų76.337%0.36937%0.366SS..Hα-helixtrans-63.4-43.4172.7-79.6-42.5000112S41 D42 F43 I47 R48 E49S41-D45 PolarHBondContact O-N 3.36Å; D42-D45 PolarHBondContact O-N 2.74Å; F43-D45 VanDerWaalsContact C-N 3.34Å; D45-I47 VanDerWaalsContact C-N 3.34Å; D45-I47 PolarHBondContact O-N 3.29Å; D45-R48 WeakPolarHBondContact O-CB 3.42Å; D45-R48 PolarHBondContact O-N 3.41Å; D45-R48 VanDerWaalsContact O-N 3.15Å; D45-R48 IonicContact OD1-NE 2.91Å; D45-R48 IonicContact OD1-NH2 3.3Å; D45-E49 PolarHBondContact O-N 3.33Å
46M84Confident85.4Confident118 Ų11877.7 Ų77.758%0.58138%0.377SS*.Hα-helixtrans-60.8-41.3173.4-71.5177.872.800112.1D42 F43 R48 E49 V50D42-M46 VanDerWaalsContact O-CG 3.28Å; D42-M46 WeakPolarHBondContact O-CG 3.35Å; D42-M46 PolarHBondContact O-N 3.34Å; F43-M46 PolarHBondContact O-N 2.79Å; M46-R48 VanDerWaalsContact C-N 3.3Å; M46-R48 PolarHBondContact O-N 3.13Å; M46-E49 PolarHBondContact O-N 2.9Å; M46-V50 WeakPolarHBondContact O-CG2 3.36Å; M46-V50 PolarHBondContact O-N 3.43Å; M46-V50 VanDerWaalsContact O-N 3.08Å
47I86.3Confident85.5Confident52 Ų5280.7 Ų80.727%0.26740%0.398SS..Hα-helixtrans-61.3-42.1175-69.8165.2000110.8F43 C44 D45 V50 Y51 T75 F79F43-I47 HydrophobicContact CD1-CD1 3.81Å; F43-I47 HydrophobicContact CE1-CD1 3.3Å; F43-I47 HydrophobicContact CE1-CG1 4.41Å; F43-I47 HydrophobicContact CE2-CD1 4.12Å; F43-I47 HydrophobicContact CE2-CG1 4.48Å; F43-I47 HydrophobicContact CG-CD1 4.42Å; F43-I47 HydrophobicContact CZ-CD1 3.49Å; F43-I47 VanDerWaalsContact CZ-CD1 3.49Å; F43-I47 HydrophobicContact CZ-CG1 4.28Å; F43-I47 WeakPolarHBondContact O-CG1 3.37Å; F43-I47 PolarHBondContact O-N 2.91Å; C44-I47 PolarHBondContact O-N 3.06Å; D45-I47 VanDerWaalsContact C-N 3.34Å; D45-I47 PolarHBondContact O-N 3.29Å; I47-V50 PolarHBondContact O-N 3.23Å; I47-Y51 WeakPolarHBondContact O-CB 3.39Å; I47-Y51 PolarHBondContact O-N 3.31Å; I47-T75 HydrophobicContact CG2-CG2 4.23Å; I47-F79 HydrophobicContact CB-CE2 4.19Å; I47-F79 HydrophobicContact CB-CZ 4.26Å; I47-F79 HydrophobicContact CG1-CE1 4.26Å; I47-F79 HydrophobicContact CG1-CE2 3.67Å; I47-F79 HydrophobicContact CG1-CZ 3.51Å; I47-F79 HydrophobicContact CG2-CE2 4.19Å
48R84.4Confident85.2Confident47 Ų4775.3 Ų75.318%0.17738%0.384CS..Hα-helixtrans-61.8-45.4178.3-177.7179.160.970.35.9111.2L7 C44 D45 M46 V50 Y51 E52L7-R48 HydrophobicContact CD2-CB 4.3Å; L7-R48 HydrophobicContact CD2-CG 3.79Å; L7-R48 HydrophobicContact CG-CG 4.31Å; C44-R48 PolarHBondContact O-N 2.95Å; D45-R48 WeakPolarHBondContact O-CB 3.42Å; D45-R48 PolarHBondContact O-N 3.41Å; D45-R48 VanDerWaalsContact O-N 3.15Å; D45-R48 IonicContact OD1-NE 2.91Å; D45-R48 IonicContact OD1-NH2 3.3Å; M46-R48 VanDerWaalsContact C-N 3.3Å; M46-R48 PolarHBondContact O-N 3.13Å; R48-V50 VanDerWaalsContact C-N 3.34Å; R48-V50 PolarHBondContact O-N 3.08Å; R48-Y51 PolarHBondContact O-N 3.5Å; R48-E52 HydrophobicContact CG-CG 4.48Å; R48-E52 WeakPolarHBondContact CG-OE1 3.49Å; R48-E52 IonicContact CZ-OE1 3.08Å; R48-E52 IonicContact NH1-OE1 2.68Å; R48-E52 PolarHBondContact NH1-OE1 2.79Å; R48-E52 IonicContact NH1-OE2 3.86Å; R48-E52 PolarHBondContact NH1-OE2 3.41Å; R48-E52 WeakPolarHBondContact O-CG 3.31Å; R48-E52 PolarHBondContact O-N 3.07Å
49E86.5Confident85Confident123 Ų12378 Ų7858%0.57540%0.4SS*.Hα-helixtrans-59.1-44.5175.8-72.6-176.3175.500112D45 M46 Y51 E52 H53D45-E49 PolarHBondContact O-N 3.33Å; M46-E49 PolarHBondContact O-N 2.9Å; E49-Y51 PolarHBondContact O-N 2.86Å; E49-E52 PolarHBondContact O-N 3.37Å; E49-H53 WeakPolarHBondContact O-CB 2.94Å; E49-H53 PolarHBondContact O-N 3.34Å
50V86.4Confident84.9Confident49 Ų4978.2 Ų78.230%0.29740%0.401SS..Hα-helixtrans-62.1-44.9176.1175.20000110.9M46 I47 R48 H53 I54 T75 F79M46-V50 WeakPolarHBondContact O-CG2 3.36Å; M46-V50 PolarHBondContact O-N 3.43Å; M46-V50 VanDerWaalsContact O-N 3.08Å; I47-V50 PolarHBondContact O-N 3.23Å; R48-V50 VanDerWaalsContact C-N 3.34Å; R48-V50 PolarHBondContact O-N 3.08Å; V50-H53 PolarHBondContact O-N 3.06Å; V50-I54 HydrophobicContact CG1-CD1 3.75Å; V50-I54 HydrophobicContact CG1-CG1 4.4Å; V50-I54 VanDerWaalsContact O-CG1 3.26Å; V50-I54 WeakPolarHBondContact O-CG1 3.43Å; V50-I54 PolarHBondContact O-N 3.46Å; V50-T75 HydrophobicContact CB-CG2 4.48Å; V50-T75 HydrophobicContact CG1-CG2 4.04Å; V50-F79 HydrophobicContact CB-CE2 4.22Å; V50-F79 HydrophobicContact CB-CZ 4.43Å; V50-F79 HydrophobicContact CG1-CE2 4.19Å; V50-F79 HydrophobicContact CG2-CE2 4.39Å; V50-F79 HydrophobicContact CG2-CZ 4.13Å
51Y88.2Confident84.8Confident39 Ų3979.6 Ų79.615%0.15341%0.412CS..Hα-helixtrans-60.2-48.5177.3179.9-83.7000111.9L7 I47 R48 E49 H53 I54 Y55 A68 T71 A72 T75L7-Y51 HydrophobicContact CD2-CD1 3.59Å; L7-Y51 HydrophobicContact CD2-CE1 4.16Å; L7-Y51 HydrophobicContact CD2-CG 3.91Å; I47-Y51 WeakPolarHBondContact O-CB 3.39Å; I47-Y51 PolarHBondContact O-N 3.31Å; R48-Y51 PolarHBondContact O-N 3.5Å; E49-Y51 PolarHBondContact O-N 2.86Å; Y51-H53 VanDerWaalsContact C-N 3.32Å; Y51-H53 PolarHBondContact O-N 3.5Å; Y51-I54 PolarHBondContact O-N 3.36Å; Y51-Y55 HydrophobicContact CE1-CD2 4.18Å; Y51-Y55 WeakPolarHBondContact O-CB 3.47Å; Y51-Y55 PolarHBondContact O-N 3.05Å; Y51-A68 WeakPolarHBondContact OH-CA 3.29Å; Y51-A68 WeakPolarHBondContact OH-CB 3.38Å; Y51-A68 PolarHBondContact OH-O 2.89Å; Y51-T71 HydrophobicContact CD1-CG2 4.23Å; Y51-T71 HydrophobicContact CD2-CG2 3.64Å; Y51-T71 HydrophobicContact CE1-CG2 4.12Å; Y51-T71 HydrophobicContact CE2-CG2 3.52Å; Y51-T71 HydrophobicContact CG-CG2 4Å; Y51-T71 WeakPolarHBondContact O-CG2 3.29Å; Y51-A72 HydrophobicContact CE2-CB 3.95Å; Y51-T75 WeakPolarHBondContact CA-OG1 3.41Å
52E86.9Confident84.6Confident82 Ų8280.6 Ų80.638%0.38343%0.428SS..Hα-helixtrans-62.4-40.4179.1-73.7174.9-166.800111.5R48 E49 Y55 T56R48-E52 HydrophobicContact CG-CG 4.48Å; R48-E52 WeakPolarHBondContact CG-OE1 3.49Å; R48-E52 IonicContact CZ-OE1 3.08Å; R48-E52 IonicContact NH1-OE1 2.68Å; R48-E52 PolarHBondContact NH1-OE1 2.79Å; R48-E52 IonicContact NH1-OE2 3.86Å; R48-E52 PolarHBondContact NH1-OE2 3.41Å; R48-E52 WeakPolarHBondContact O-CG 3.31Å; R48-E52 PolarHBondContact O-N 3.07Å; E49-E52 PolarHBondContact O-N 3.37Å; E52-Y55 PolarHBondContact O-N 3.11Å; E52-T56 WeakPolarHBondContact O-CG2 3.29Å; E52-T56 PolarHBondContact O-N 2.96Å; E52-T56 PolarHBondContact O-OG1 3.44Å
53H86.3Confident84.6Confident130 Ų13077.5 Ų77.560%0.60242%0.416SS*.Hα-helixtrans-64.7-42.3176.4-164.969.3000112.1E49 V50 Y51 T56 T57E49-H53 WeakPolarHBondContact O-CB 2.94Å; E49-H53 PolarHBondContact O-N 3.34Å; V50-H53 PolarHBondContact O-N 3.06Å; Y51-H53 VanDerWaalsContact C-N 3.32Å; Y51-H53 PolarHBondContact O-N 3.5Å; H53-T56 PolarHBondContact O-N 3.03Å; H53-T56 PolarHBondContact O-OG1 2.78Å; H53-T57 VanDerWaalsContact O-CB 3.22Å; H53-T57 WeakPolarHBondContact O-CB 3.36Å; H53-T57 PolarHBondContact O-N 2.86Å; H53-T57 PolarHBondContact O-OG1 2.85Å
54I86.1Confident84.8Confident27 Ų2777.5 Ų77.514%0.13842%0.418CS..Hα-helixtrans-66.4-42.8175.7-66.8171.6000110.3V50 Y51 T56 T57 V58 T71 A74 A78V50-I54 HydrophobicContact CG1-CD1 3.75Å; V50-I54 HydrophobicContact CG1-CG1 4.4Å; V50-I54 VanDerWaalsContact O-CG1 3.26Å; V50-I54 WeakPolarHBondContact O-CG1 3.43Å; V50-I54 PolarHBondContact O-N 3.46Å; Y51-I54 PolarHBondContact O-N 3.36Å; I54-T56 VanDerWaalsContact C-N 3.25Å; I54-T56 PolarHBondContact O-N 3.31Å; I54-T57 PolarHBondContact O-N 2.97Å; I54-V58 HydrophobicContact CG2-CG2 3.75Å; I54-V58 WeakPolarHBondContact O-CB 3.46Å; I54-V58 WeakPolarHBondContact O-CG2 3.41Å; I54-V58 PolarHBondContact O-N 3.13Å; I54-T71 HydrophobicContact CB-CG2 3.98Å; I54-T71 HydrophobicContact CG2-CG2 3.79Å; I54-A74 HydrophobicContact CD1-CB 4.48Å; I54-A74 HydrophobicContact CG2-CB 3.79Å; I54-A78 HydrophobicContact CD1-CB 4.49Å
55Y85.6Confident84.8Confident45 Ų4584 Ų8418%0.17645%0.447CS..Hα-helixtrans-59.9-37.2-179.9-164-91.3000112.5Y51 E52 E64 K67 A68 T71Y51-Y55 HydrophobicContact CE1-CD2 4.18Å; Y51-Y55 WeakPolarHBondContact O-CB 3.47Å; Y51-Y55 PolarHBondContact O-N 3.05Å; E52-Y55 PolarHBondContact O-N 3.11Å; Y55-E64 PolarHBondContact OH-OE2 3.5Å; Y55-K67 HydrophobicContact CD2-CG 4.15Å; Y55-K67 HydrophobicContact CE1-CD 3.98Å; Y55-K67 HydrophobicContact CE1-CG 4.48Å; Y55-K67 HydrophobicContact CE2-CB 4.17Å; Y55-K67 HydrophobicContact CE2-CD 4.01Å; Y55-K67 HydrophobicContact CE2-CG 3.6Å; Y55-K67 WeakPolarHBondContact O-CE 3.23Å; Y55-K67 PolarHBondContact O-NZ 2.99Å; Y55-K67 VanDerWaalsContact O-NZ 3.16Å; Y55-A68 HydrophobicContact CE2-CB 4.27Å; Y55-T71 HydrophobicContact CD2-CG2 4.02Å; Y55-T71 WeakPolarHBondContact CD2-OG1 3.46Å; Y55-T71 HydrophobicContact CG-CG2 4.44Å
56T86.6Confident84.8Confident106 Ų10684.3 Ų84.365%0.6545%0.45SS*.Hα-helixtrans-82.7-30.9-17949.60000112.8E52 H53 I54E52-T56 WeakPolarHBondContact O-CG2 3.29Å; E52-T56 PolarHBondContact O-N 2.96Å; E52-T56 PolarHBondContact O-OG1 3.44Å; H53-T56 PolarHBondContact O-N 3.03Å; H53-T56 PolarHBondContact O-OG1 2.78Å; I54-T56 VanDerWaalsContact C-N 3.25Å; I54-T56 PolarHBondContact O-N 3.31Å
57T85.4Confident85Confident91 Ų9180.6 Ų80.656%0.55843%0.431SS*.Hα-helixtrans-86.2-37-176.4-54.80000112.8H53 I54H53-T57 VanDerWaalsContact O-CB 3.22Å; H53-T57 WeakPolarHBondContact O-CB 3.36Å; H53-T57 PolarHBondContact O-N 2.86Å; H53-T57 PolarHBondContact O-OG1 2.85Å; I54-T57 PolarHBondContact O-N 2.97Å
58V80.4Confident85Confident63 Ų6379 Ų7938%0.38243%0.425SS..  trans-86.1119-175.5-170.20000109.9I54 I60I54-V58 HydrophobicContact CG2-CG2 3.75Å; I54-V58 WeakPolarHBondContact O-CB 3.46Å; I54-V58 WeakPolarHBondContact O-CG2 3.41Å; I54-V58 PolarHBondContact O-N 3.13Å; V58-I60 HydrophobicContact CB-CD1 4.21Å; V58-I60 HydrophobicContact CB-CG1 4.04Å; V58-I60 HydrophobicContact CG1-CD1 3.81Å; V58-I60 HydrophobicContact CG1-CG1 3.42Å; V58-I60 VanDerWaalsContact CG1-CG1 3.42Å; V58-I60 PolarHBondContact O-N 3.31Å
59D81.8Confident85.1Confident145 Ų14579.5 Ų79.578%0.77544%0.437SS*.  trans-83.695174.2-163.318.5000110.1
60I80.4Confident85.1Confident37 Ų3775.3 Ų75.319%0.1942%0.423CS..  trans-105.1110.2-176.8-50.6-178.4000108.4V58 G62 V66 K67 A70V58-I60 HydrophobicContact CB-CD1 4.21Å; V58-I60 HydrophobicContact CB-CG1 4.04Å; V58-I60 HydrophobicContact CG1-CD1 3.81Å; V58-I60 HydrophobicContact CG1-CG1 3.42Å; V58-I60 VanDerWaalsContact CG1-CG1 3.42Å; V58-I60 PolarHBondContact O-N 3.31Å; I60-G62 PolarHBondContact O-N 2.97Å; I60-V66 HydrophobicContact CG2-CG1 4.5Å; I60-K67 HydrophobicContact CB-CB 4.37Å; I60-K67 HydrophobicContact CB-CG 4.07Å; I60-K67 HydrophobicContact CD1-CG 4.27Å; I60-K67 HydrophobicContact CG1-CG 4.44Å; I60-A70 HydrophobicContact CD1-CB 3.53Å; I60-A70 HydrophobicContact CG2-CB 4.29Å
61N81.5Confident85.2Confident151 Ų15173 Ų7381%0.80741%0.408SS*.  trans-68.4121.5172.1-74.8-40.7000110.3
62G83.3Confident85.2Confident56 Ų5673.1 Ų73.158%0.57742%0.418SS*.SBendtrans157.9-173.9178.700000112.6I60I60-G62 PolarHBondContact O-N 2.97Å
63S87.6Confident85.2Confident66 Ų6676.1 Ų76.146%0.46243%0.429SS..  trans-68.7159.9168.262.60000110.9E65 V66 K67S63-E65 PolarHBondContact O-N 3.47Å; S63-E65 VanDerWaalsContact O-N 3.13Å; S63-V66 WeakPolarHBondContact O-CB 3.44Å; S63-V66 PolarHBondContact O-N 2.94Å; S63-V66 WeakPolarHBondContact OG-CG2 3.49Å; S63-V66 PolarHBondContact OG-N 3.15Å; S63-K67 PolarHBondContact O-N 3.39Å
64E85Confident85.3Confident114 Ų11471.8 Ų71.853%0.53342%0.416SS..Hα-helixtrans-53.2-34175.1-67.2-65.4120.600112.2L5 Y55 K67 A68L5-E64 HydrophobicContact CD1-CB 4.02Å; Y55-E64 PolarHBondContact OH-OE2 3.5Å; E64-K67 PolarHBondContact O-N 3.36Å; E64-A68 VanDerWaalsContact O-CB 3.3Å; E64-A68 WeakPolarHBondContact O-CB 3.43Å; E64-A68 PolarHBondContact O-N 2.89Å
65E83.7Confident85.4Confident155 Ų15570.8 Ų70.872%0.72441%0.411SS*.Hα-helixtrans-67-41176.4-169.5176.6-171.700112.5S63 A68 S69S63-E65 PolarHBondContact O-N 3.47Å; S63-E65 VanDerWaalsContact O-N 3.13Å; E65-A68 PolarHBondContact O-N 3.22Å; E65-S69 WeakPolarHBondContact O-CB 3.35Å; E65-S69 PolarHBondContact O-N 3.32Å
66V85.5Confident85.4Confident74 Ų7473.4 Ų73.445%0.44843%0.432SS..Hα-helixtrans-64.9-43.7174.7172.90000110I60 S63 S69 A70I60-V66 HydrophobicContact CG2-CG1 4.5Å; S63-V66 WeakPolarHBondContact O-CB 3.44Å; S63-V66 PolarHBondContact O-N 2.94Å; S63-V66 WeakPolarHBondContact OG-CG2 3.49Å; S63-V66 PolarHBondContact OG-N 3.15Å; V66-S69 PolarHBondContact O-N 3.46Å; V66-A70 VanDerWaalsContact O-CB 3.26Å; V66-A70 WeakPolarHBondContact O-CB 3.36Å; V66-A70 PolarHBondContact O-N 2.96Å
67K86.8Confident85.2Confident40 Ų4071 Ų7117%0.17442%0.423CS..Hα-helixtrans-61.4-46.1176.9-173.8171.4178.7177.90111.5Y55 I60 S63 E64 A70 T71Y55-K67 HydrophobicContact CD2-CG 4.15Å; Y55-K67 HydrophobicContact CE1-CD 3.98Å; Y55-K67 HydrophobicContact CE1-CG 4.48Å; Y55-K67 HydrophobicContact CE2-CB 4.17Å; Y55-K67 HydrophobicContact CE2-CD 4.01Å; Y55-K67 HydrophobicContact CE2-CG 3.6Å; Y55-K67 WeakPolarHBondContact O-CE 3.23Å; Y55-K67 PolarHBondContact O-NZ 2.99Å; Y55-K67 VanDerWaalsContact O-NZ 3.16Å; I60-K67 HydrophobicContact CB-CB 4.37Å; I60-K67 HydrophobicContact CB-CG 4.07Å; I60-K67 HydrophobicContact CD1-CG 4.27Å; I60-K67 HydrophobicContact CG1-CG 4.44Å; S63-K67 PolarHBondContact O-N 3.39Å; E64-K67 PolarHBondContact O-N 3.36Å; K67-A70 PolarHBondContact O-N 3.35Å; K67-T71 VanDerWaalsContact O-CB 3.3Å; K67-T71 WeakPolarHBondContact O-CB 3.4Å; K67-T71 PolarHBondContact O-N 3.49Å; K67-T71 PolarHBondContact O-OG1 2.95Å
68A85.9Confident85Confident18 Ų1869 Ų6915%0.14942%0.415CS..Hα-helixtrans-62.3-46.7177.100000112.1Y51 Y55 E64 E65 A70 T71 A72Y51-A68 WeakPolarHBondContact OH-CA 3.29Å; Y51-A68 WeakPolarHBondContact OH-CB 3.38Å; Y51-A68 PolarHBondContact OH-O 2.89Å; Y55-A68 HydrophobicContact CE2-CB 4.27Å; E64-A68 VanDerWaalsContact O-CB 3.3Å; E64-A68 WeakPolarHBondContact O-CB 3.43Å; E64-A68 PolarHBondContact O-N 2.89Å; E65-A68 PolarHBondContact O-N 3.22Å; A68-A70 PolarHBondContact O-N 3.44Å; A68-T71 PolarHBondContact O-N 3.47Å; A68-A72 WeakPolarHBondContact O-CB 3.22Å; A68-A72 PolarHBondContact O-N 3.48Å
69S86.8Confident84.8Confident59 Ų5968.4 Ų68.441%0.41341%0.408SS..Hα-helixtrans-61.7-45.2178.1-172.50000112.3E65 V66 A72 K73E65-S69 WeakPolarHBondContact O-CB 3.35Å; E65-S69 PolarHBondContact O-N 3.32Å; V66-S69 PolarHBondContact O-N 3.46Å; S69-A72 PolarHBondContact O-N 2.83Å; S69-K73 WeakPolarHBondContact O-CG 3.33Å; S69-K73 PolarHBondContact O-N 3.3Å
70A86.3Confident84.4Confident34 Ų3464.1 Ų64.128%0.28139%0.392SS..Hα-helixtrans-66.6-39.2178.100000111.8I60 V66 K67 A68 K73 A74I60-A70 HydrophobicContact CD1-CB 3.53Å; I60-A70 HydrophobicContact CG2-CB 4.29Å; V66-A70 VanDerWaalsContact O-CB 3.26Å; V66-A70 WeakPolarHBondContact O-CB 3.36Å; V66-A70 PolarHBondContact O-N 2.96Å; K67-A70 PolarHBondContact O-N 3.35Å; A68-A70 PolarHBondContact O-N 3.44Å; A70-K73 PolarHBondContact O-N 2.92Å; A70-A74 WeakPolarHBondContact O-CB 3.39Å; A70-A74 PolarHBondContact O-N 2.77Å
71T89.5Confident84Confident0 Ų065.5 Ų65.50%041%0.409CS..Hα-helixtrans-60.7-48.3173-57.80000110.8Y51 I54 Y55 K67 A68 K73 A74 T75Y51-T71 HydrophobicContact CD1-CG2 4.23Å; Y51-T71 HydrophobicContact CD2-CG2 3.64Å; Y51-T71 HydrophobicContact CE1-CG2 4.12Å; Y51-T71 HydrophobicContact CE2-CG2 3.52Å; Y51-T71 HydrophobicContact CG-CG2 4Å; Y51-T71 WeakPolarHBondContact O-CG2 3.29Å; I54-T71 HydrophobicContact CB-CG2 3.98Å; I54-T71 HydrophobicContact CG2-CG2 3.79Å; Y55-T71 HydrophobicContact CD2-CG2 4.02Å; Y55-T71 WeakPolarHBondContact CD2-OG1 3.46Å; Y55-T71 HydrophobicContact CG-CG2 4.44Å; K67-T71 VanDerWaalsContact O-CB 3.3Å; K67-T71 WeakPolarHBondContact O-CB 3.4Å; K67-T71 PolarHBondContact O-N 3.49Å; K67-T71 PolarHBondContact O-OG1 2.95Å; A68-T71 PolarHBondContact O-N 3.47Å; T71-K73 VanDerWaalsContact C-N 3.3Å; T71-K73 PolarHBondContact O-N 2.75Å; T71-A74 CarbonylContact O-C 3.54Å; T71-A74 WeakPolarHBondContact O-CB 3.49Å; T71-A74 PolarHBondContact O-N 2.84Å; T71-A74 VanDerWaalsContact O-N 3.08Å; T71-T75 PolarHBondContact O-N 3.49Å; T71-T75 PolarHBondContact O-OG1 2.9Å; T71-T75 VanDerWaalsContact O-OG1 3.04Å
72A87.7Confident83.4Confident42 Ų4261.5 Ų61.535%0.34739%0.393SS..Hα-helixtrans-57.6-44.4178.100000111.5Y51 A68 S69 T75 V76Y51-A72 HydrophobicContact CE2-CB 3.95Å; A68-A72 WeakPolarHBondContact O-CB 3.22Å; A68-A72 PolarHBondContact O-N 3.48Å; S69-A72 PolarHBondContact O-N 2.83Å; A72-T75 PolarHBondContact O-N 2.99Å; A72-V76 WeakPolarHBondContact O-CG2 3.44Å; A72-V76 PolarHBondContact O-N 2.9Å
73K88.2Confident82.1Confident145 Ų14564 Ų6463%0.6339%0.39SS*.Hα-helixtrans-62.6-41.8175.5-71.7176.4-174179.70112.1S69 A70 T71 V76 A77S69-K73 WeakPolarHBondContact O-CG 3.33Å; S69-K73 PolarHBondContact O-N 3.3Å; A70-K73 PolarHBondContact O-N 2.92Å; T71-K73 VanDerWaalsContact C-N 3.3Å; T71-K73 PolarHBondContact O-N 2.75Å; K73-V76 PolarHBondContact O-N 3.29Å; K73-A77 WeakPolarHBondContact O-CB 3.36Å; K73-A77 PolarHBondContact O-N 2.85Å
74A88Confident80.5Confident39 Ų3962.7 Ų62.732%0.32239%0.387SS..Hα-helixtrans-65.9-40176.800000111.9I54 A70 T71 A77 A78I54-A74 HydrophobicContact CD1-CB 4.48Å; I54-A74 HydrophobicContact CG2-CB 3.79Å; A70-A74 WeakPolarHBondContact O-CB 3.39Å; A70-A74 PolarHBondContact O-N 2.77Å; T71-A74 CarbonylContact O-C 3.54Å; T71-A74 WeakPolarHBondContact O-CB 3.49Å; T71-A74 PolarHBondContact O-N 2.84Å; T71-A74 VanDerWaalsContact O-N 3.08Å; A74-A77 PolarHBondContact O-N 2.78Å; A74-A78 WeakPolarHBondContact O-CB 3.17Å; A74-A78 PolarHBondContact O-N 2.83Å
75T87.7Confident79.3Confident6 Ų659.2 Ų59.24%0.03737%0.371CS..Hα-helixtrans-59.2-50.3173-55.90000110.6I47 V50 Y51 T71 A72 A77 A78 F79I47-T75 HydrophobicContact CG2-CG2 4.23Å; V50-T75 HydrophobicContact CB-CG2 4.48Å; V50-T75 HydrophobicContact CG1-CG2 4.04Å; Y51-T75 WeakPolarHBondContact CA-OG1 3.41Å; T71-T75 PolarHBondContact O-N 3.49Å; T71-T75 PolarHBondContact O-OG1 2.9Å; T71-T75 VanDerWaalsContact O-OG1 3.04Å; A72-T75 PolarHBondContact O-N 2.99Å; T75-A77 VanDerWaalsContact C-N 3.32Å; T75-A77 PolarHBondContact O-N 2.65Å; T75-A78 WeakPolarHBondContact O-CB 3.32Å; T75-A78 PolarHBondContact O-N 2.75Å; T75-F79 HydrophobicContact CG2-CD2 3.85Å; T75-F79 HydrophobicContact CG2-CE2 3.71Å; T75-F79 VanDerWaalsContact O-CD2 3.23Å; T75-F79 WeakPolarHBondContact O-CD2 3.45Å; T75-F79 PolarHBondContact O-N 2.93Å
76V85.4Confident78.4Confident101 Ų10154.8 Ų54.861%0.61236%0.36SS*.Hα-helixtrans-60.8-41.4176.5174.10000111.3A72 K73 A78 F79 A80A72-V76 WeakPolarHBondContact O-CG2 3.44Å; A72-V76 PolarHBondContact O-N 2.9Å; K73-V76 PolarHBondContact O-N 3.29Å; V76-A78 PolarHBondContact O-N 2.79Å; V76-F79 PolarHBondContact O-N 3.39Å; V76-A80 WeakPolarHBondContact O-CB 3.23Å; V76-A80 PolarHBondContact O-N 3.48Å
77A82.2Confident78.2Confident56 Ų5656.6 Ų56.646%0.46336%0.364SS..Hα-helixtrans-64.6-3917700000112.3K73 A74 T75 A80 A81K73-A77 WeakPolarHBondContact O-CB 3.36Å; K73-A77 PolarHBondContact O-N 2.85Å; A74-A77 PolarHBondContact O-N 2.78Å; T75-A77 VanDerWaalsContact C-N 3.32Å; T75-A77 PolarHBondContact O-N 2.65Å; A77-A80 PolarHBondContact O-N 3.45Å; A77-A81 VanDerWaalsContact O-CB 3.23Å; A77-A81 WeakPolarHBondContact O-CB 3.24Å; A77-A81 PolarHBondContact O-N 2.86Å
78A81.2Confident78.4Confident47 Ų4757.8 Ų57.839%0.38838%0.376SS..Hα-helixtrans-64.1-42.3175.500000111.5I54 A74 T75 V76 A81 S82I54-A78 HydrophobicContact CD1-CB 4.49Å; A74-A78 WeakPolarHBondContact O-CB 3.17Å; A74-A78 PolarHBondContact O-N 2.83Å; T75-A78 WeakPolarHBondContact O-CB 3.32Å; T75-A78 PolarHBondContact O-N 2.75Å; V76-A78 PolarHBondContact O-N 2.79Å; A78-A81 PolarHBondContact O-N 2.88Å; A78-S82 PolarHBondContact O-N 3.01Å
79F77.2Confident78.7Confident52 Ų5259.3 Ų59.323%0.22838%0.378CS..Hα-helixtrans-67.1-44.9173-80.2-72.6000112.3I47 V50 T75 V76 A81 S82 E83I47-F79 HydrophobicContact CB-CE2 4.19Å; I47-F79 HydrophobicContact CB-CZ 4.26Å; I47-F79 HydrophobicContact CG1-CE1 4.26Å; I47-F79 HydrophobicContact CG1-CE2 3.67Å; I47-F79 HydrophobicContact CG1-CZ 3.51Å; I47-F79 HydrophobicContact CG2-CE2 4.19Å; V50-F79 HydrophobicContact CB-CE2 4.22Å; V50-F79 HydrophobicContact CB-CZ 4.43Å; V50-F79 HydrophobicContact CG1-CE2 4.19Å; V50-F79 HydrophobicContact CG2-CE2 4.39Å; V50-F79 HydrophobicContact CG2-CZ 4.13Å; T75-F79 HydrophobicContact CG2-CD2 3.85Å; T75-F79 HydrophobicContact CG2-CE2 3.71Å; T75-F79 VanDerWaalsContact O-CD2 3.23Å; T75-F79 WeakPolarHBondContact O-CD2 3.45Å; T75-F79 PolarHBondContact O-N 2.93Å; V76-F79 PolarHBondContact O-N 3.39Å; F79-A81 VanDerWaalsContact C-N 3.26Å; F79-A81 PolarHBondContact O-N 3.31Å; F79-S82 WeakPolarHBondContact CA-OG 3.34Å; F79-S82 CarbonylContact O-C 3.59Å; F79-S82 WeakPolarHBondContact O-CA 3.39Å; F79-S82 PolarHBondContact O-N 3.36Å; F79-S82 PolarHBondContact O-OG 2.88Å; F79-E83 WeakPolarHBondContact O-CB 3.46Å; F79-E83 WeakPolarHBondContact O-CG 3.35Å; F79-E83 PolarHBondContact O-N 3.48Å
80A72.1Confident79.1Confident54 Ų5460.5 Ų60.545%0.44638%0.382SS..Hα-helixtrans-60.7-38.5176.600000111.9V76 A77 S82 E83 G84V76-A80 WeakPolarHBondContact O-CB 3.23Å; V76-A80 PolarHBondContact O-N 3.48Å; A77-A80 PolarHBondContact O-N 3.45Å; A80-S82 VanDerWaalsContact C-N 3.28Å; A80-S82 PolarHBondContact O-N 2.73Å; A80-E83 PolarHBondContact O-N 3.41Å; A80-G84 PolarHBondContact O-N 3.2Å; A80-G84 VanDerWaalsContact O-N 3.07Å
81A72.3Confident79.5Confident67 Ų6759.2 Ų59.255%0.55437%0.37SS*.Hα-helixtrans-65.5-30.8173.600000112.4A77 A78 F79 H85A77-A81 VanDerWaalsContact O-CB 3.23Å; A77-A81 WeakPolarHBondContact O-CB 3.24Å; A77-A81 PolarHBondContact O-N 2.86Å; A78-A81 PolarHBondContact O-N 2.88Å; F79-A81 VanDerWaalsContact C-N 3.26Å; F79-A81 PolarHBondContact O-N 3.31Å; A81-H85 PolarHBondContact O-CD2 3.28Å; A81-H85 VanDerWaalsContact O-CD2 3.31Å
82S69.4Low79.8Confident67 Ų6764.1 Ų64.147%0.46939%0.393SS..Hα-helixtrans-82.9-29.8174.578.90000113.1A78 F79 A80 H85A78-S82 PolarHBondContact O-N 3.01Å; F79-S82 WeakPolarHBondContact CA-OG 3.34Å; F79-S82 CarbonylContact O-C 3.59Å; F79-S82 WeakPolarHBondContact O-CA 3.39Å; F79-S82 PolarHBondContact O-N 3.36Å; F79-S82 PolarHBondContact O-OG 2.88Å; A80-S82 VanDerWaalsContact C-N 3.28Å; A80-S82 PolarHBondContact O-N 2.73Å; S82-H85 WeakPolarHBondContact O-CB 3.32Å; S82-H85 PolarHBondContact O-N 3.39Å
83E55.5Low80.3Confident107 Ų10762.1 Ų62.150%0.538%0.377SS..Hα-helixtrans-75.9-28.1178.5-77.9-169.1156.100113.4F79 A80 H85 A86 H87F79-E83 WeakPolarHBondContact O-CB 3.46Å; F79-E83 WeakPolarHBondContact O-CG 3.35Å; F79-E83 PolarHBondContact O-N 3.48Å; A80-E83 PolarHBondContact O-N 3.41Å; E83-H85 PolarHBondContact O-N 2.87Å; E83-A86 PolarHBondContact O-N 3.25Å; E83-H87 PolarHBondContact O-N 3.08Å; E83-H87 PolarHBondContact O-ND1 3.47Å
84G54.2Low80.7Confident40 Ų4058.4 Ų58.441%0.41237%0.367SS..THydrogen-bonded Turntrans-57.4-10.2173.400000113.5A80A80-G84 PolarHBondContact O-N 3.2Å; A80-G84 VanDerWaalsContact O-N 3.07Å
85H60.4Low81Confident41 Ų4159.2 Ų59.219%0.1936%0.364CS..THydrogen-bonded Turntrans-94.7-34.5175.3-74-109.5000113.2A81 S82 E83 K132 Y170A81-H85 PolarHBondContact O-CD2 3.28Å; A81-H85 VanDerWaalsContact O-CD2 3.31Å; S82-H85 WeakPolarHBondContact O-CB 3.32Å; S82-H85 PolarHBondContact O-N 3.39Å; E83-H85 PolarHBondContact O-N 2.87Å; H85-K132 PolarHBondContact CE1-NZ 2.64Å; H85-K132 PolarHBondContact NE2-NZ 3.45Å; H85-K132 VanDerWaalsContact NE2-NZ 3.11Å; H85-Y170 HydrophobicContact CB-CD1 3.48Å; H85-Y170 VanDerWaalsContact CB-CD1 3.48Å; H85-Y170 HydrophobicContact CB-CE1 4.31Å; H85-Y170 HydrophobicContact CB-CG 3.94Å; H85-Y170 AromaticContact CE1-CE1 3.9Å; H85-Y170 AromaticContact CG-CD1 3.58Å; H85-Y170 AromaticContact CG-CG 3.95Å; H85-Y170 AromaticContact ND1-CD1 2.92Å; H85-Y170 WeakPolarHBondContact ND1-CD1 3.38Å; H85-Y170 AromaticContact ND1-CD2 3.77Å; H85-Y170 AromaticContact ND1-CE1 3.13Å; H85-Y170 WeakPolarHBondContact ND1-CE1 3.35Å; H85-Y170 AromaticContact ND1-CG 3.2Å; H85-Y170 AromaticContact ND1-CZ 3.71Å; H85-Y170 CarbonylContact O-C 3.59Å; H85-Y170 VanDerWaalsContact O-CA 3.26Å; H85-Y170 WeakPolarHBondContact O-CA 3.45Å; H85-Y170 WeakPolarHBondContact O-CB 3.41Å; H85-Y170 PolarHBondContact O-N 3.29Å
86A65.1Low81.2Confident61 Ų6161.2 Ų61.250%0.50438%0.376SS..THydrogen-bonded Turntrans-79.1-24-176.800000114E83 R169E83-A86 PolarHBondContact O-N 3.25Å; A86-R169 VanDerWaalsContact O-CD 3.28Å; A86-R169 WeakPolarHBondContact O-CD 3.4Å; A86-R169 VanDerWaalsContact O-CG 3.22Å; A86-R169 WeakPolarHBondContact O-CG 3.45Å
87H80.9Confident81.4Confident113 Ų11365.1 Ų65.152%0.52339%0.393SS..SBendtrans-94.4149.8-178.3-6790.1000112.7E83 R89E83-H87 PolarHBondContact O-N 3.08Å; E83-H87 PolarHBondContact O-ND1 3.47Å; H87-R89 PolarHBondContact O-N 3.18Å
88P90.7Very high81.8Confident65 Ų6568 Ų6842%0.42240%0.398SS..  trans-55.2128.1168.3-2535.6000111.2L138 V167 V168P88-L138 HydrophobicContact CB-CD1 3.93Å; P88-L138 HydrophobicContact CG-CD1 3.95Å; P88-V167 HydrophobicContact CB-CG1 3.97Å; P88-V168 CarbonylContact C-O 3.51Å; P88-V168 VanDerWaalsContact CA-O 3.28Å; P88-V168 WeakPolarHBondContact CA-O 3.42Å
89R91.6Very high82.3Confident50 Ų5066.6 Ų66.619%0.18939%0.387CS..EExtended strand (participates in β ladder)trans-123.5149.4174.865.5-173.3-166.6-76.82.2110.6H87 I91 G130 D135 V167 V168H87-R89 PolarHBondContact O-N 3.18Å; R89-I91 HydrophobicContact CG-CG1 4.48Å; R89-G130 PolarHBondContact NE-O 3.44Å; R89-G130 PolarHBondContact NH2-O 3.02Å; R89-D135 IonicContact CZ-OD1 2.7Å; R89-D135 IonicContact CZ-OD2 3.75Å; R89-D135 IonicContact NH1-OD1 3.14Å; R89-D135 PolarHBondContact NH1-OD1 3.45Å; R89-D135 IonicContact NH1-OD2 3.72Å; R89-D135 IonicContact NH2-OD1 3.99Å; R89-D135 PolarHBondContact NH2-OD1 3.12Å; R89-D135 IonicContact NH2-OD2 3.7Å; R89-D135 PolarHBondContact NH2-OD2 3.09Å; R89-V167 WeakPolarHBondContact O-CA 3.14Å; R89-V168 HydrophobicContact CG-CG2 3.65Å; R89-V168 PolarHBondContact N-O 3.26Å; R89-V168 PolarHBondContact O-N 3.45Å
90V94.8Very high83.3Confident84 Ų8464.6 Ų64.651%0.50938%0.379SS..EExtended strand (participates in β ladder)trans-94.3131.9177.3-179.40000108.6E92 K165 L166 V167V90-E92 HydrophobicContact CG1-CG 4.5Å; V90-K165 HydrophobicContact CG1-CD 4.15Å; V90-K165 HydrophobicContact CG1-CG 3.7Å; V90-L166 CarbonylContact C-O 3.46Å; V90-L166 WeakPolarHBondContact CA-O 3.4Å; V90-V167 HydrophobicContact CG2-CG2 4.32Å
91I95Very high84.4Confident6 Ų662.4 Ų62.43%0.03136%0.361CS..EExtended strand (participates in β ladder)trans-126.8130.1175-57173.8000107.7R89 L93 G130 L131 L166 V168R89-I91 HydrophobicContact CG-CG1 4.48Å; I91-L93 HydrophobicContact CG2-CD2 4.07Å; I91-L93 HydrophobicContact CG2-CG 3.93Å; I91-G130 WeakPolarHBondContact CD1-O 3.15Å; I91-L131 HydrophobicContact CD1-CB 4.09Å; I91-L131 HydrophobicContact CD1-CD1 3.57Å; I91-L131 HydrophobicContact CD1-CG 4.46Å; I91-L166 PolarHBondContact N-O 3.27Å; I91-L166 PolarHBondContact O-N 3.11Å; I91-V168 HydrophobicContact CD1-CG2 3.42Å; I91-V168 VanDerWaalsContact CD1-CG2 3.42Å; I91-V168 HydrophobicContact CG1-CG2 4.11Å
92E97.2Very high85.6Confident103 Ų10360.3 Ų60.348%0.48134%0.34SS..EExtended strand (participates in β ladder)trans-110.1116.6175.9-70.5-175.1-179.200109.1V90 H128 T163 V164 K165V90-E92 HydrophobicContact CG1-CG 4.5Å; E92-H128 PolarHBondContact O-NE2 2.97Å; E92-T163 HydrophobicContact CB-CG2 3.72Å; E92-T163 HydrophobicContact CG-CG2 4.26Å; E92-V164 WeakPolarHBondContact CA-O 3.4Å; E92-K165 HydrophobicContact CG-CB 4.32Å; E92-K165 HydrophobicContact CG-CG 4.15Å
93L97.2Very high87Confident0 Ų060.7 Ų60.70%034%0.337CS..EExtended strand (participates in β ladder)trans-115.5132.5-178.9-67175.9000110.4I91 K95 L100 F102 V124 A125 H128 L131 V164 L166I91-L93 HydrophobicContact CG2-CD2 4.07Å; I91-L93 HydrophobicContact CG2-CG 3.93Å; L93-K95 PolarHBondContact O-N 3.43Å; L93-L100 HydrophobicContact CB-CD2 3.97Å; L93-F102 HydrophobicContact CD1-CD1 4.35Å; L93-F102 HydrophobicContact CD1-CE1 3.91Å; L93-V124 HydrophobicContact CB-CG1 4.5Å; L93-V124 HydrophobicContact CD2-CG1 4.46Å; L93-A125 HydrophobicContact CD1-CB 4.11Å; L93-H128 HydrophobicContact CD2-CB 3.47Å; L93-H128 VanDerWaalsContact CD2-CB 3.47Å; L93-H128 VanDerWaalsContact CD2-CG 3.41Å; L93-L131 HydrophobicContact CD1-CD2 4.37Å; L93-V164 PolarHBondContact N-O 3.06Å; L93-V164 PolarHBondContact O-N 3.03Å; L93-L166 HydrophobicContact CD1-CD1 3.94Å
94P96.3Very high89Confident67 Ų6756.7 Ų56.744%0.43532%0.32SS..EExtended strand (participates in β ladder)trans-69.6124.1171.928.5-32.4000109.9T96 V124P94-T96 PolarHBondContact O-N 3.08Å; P94-V124 HydrophobicContact CG-CG1 3.87Å; P94-V124 WeakPolarHBondContact O-CG1 3.45Å
95K94.7Very high90.9Very high57 Ų5756.5 Ų56.525%0.24831%0.308CS..  trans-73.2119169.4-17075.1173.4-170.60108.9L93 L100 L157 A160 G162 V164L93-K95 PolarHBondContact O-N 3.43Å; K95-L100 HydrophobicContact CB-CD2 4.44Å; K95-L100 HydrophobicContact CD-CD1 4.33Å; K95-L100 HydrophobicContact CD-CD2 3.75Å; K95-L100 HydrophobicContact CD-CG 3.71Å; K95-L157 PolarHBondContact NZ-O 3.3Å; K95-A160 WeakPolarHBondContact CG-O 3.39Å; K95-G162 WeakPolarHBondContact CB-O 3.44Å; K95-G162 PolarHBondContact N-O 3.46Å; K95-V164 HydrophobicContact CB-CG2 3.91Å; K95-V164 HydrophobicContact CD-CG2 4.36Å
96T92.6Very high92.6Very high48 Ų4854.6 Ų54.629%0.29430%0.3SS..BIsolated β-bridgetrans-114.4175.6177.364.70000110.5P94 E98 G99 V124P94-T96 PolarHBondContact O-N 3.08Å; T96-E98 PolarHBondContact O-N 3.4Å; T96-E98 WeakPolarHBondContact OG1-CG 3.24Å; T96-G99 PolarHBondContact N-O 3.38Å; T96-G99 WeakPolarHBondContact O-CA 3.27Å; T96-G99 PolarHBondContact O-N 2.92Å; T96-G99 PolarHBondContact OG1-O 3.38Å; T96-G99 VanDerWaalsContact OG1-O 3.06Å; T96-V124 HydrophobicContact CG2-CG2 3.83Å; T96-V124 VanDerWaalsContact OG1-CG2 3.31Å; T96-V124 WeakPolarHBondContact OG1-CG2 3.1Å
97N89.5Confident94.1Very high182 Ų18251.7 Ų51.797%0.97328%0.276SS*.THydrogen-bonded Turntrans-63.5-25.4176.4-64.7-16.6000113G99N97-G99 PolarHBondContact O-N 3.28Å
98E89.3Confident94.8Very high118 Ų11851.8 Ų51.855%0.55128%0.275SS*.THydrogen-bonded Turntrans-79.7-4.2172.255.9176.4-170.300112.9T96 V124 R127T96-E98 PolarHBondContact O-N 3.4Å; T96-E98 WeakPolarHBondContact OG1-CG 3.24Å; E98-V124 HydrophobicContact CG-CG2 4.19Å; E98-V124 VanDerWaalsContact OE1-CG2 3.29Å; E98-V124 WeakPolarHBondContact OE1-CG2 3.26Å; E98-R127 IonicContact OE1-CZ 3.63Å; E98-R127 VanDerWaalsContact OE1-CZ 3.3Å; E98-R127 IonicContact OE1-NH1 3.9Å; E98-R127 PolarHBondContact OE1-NH1 2.86Å; E98-R127 IonicContact OE1-NH2 2.73Å; E98-R127 PolarHBondContact OE1-NH2 3.39Å; E98-R127 IonicContact OE2-NH1 3.8Å
99G93.3Very high94.9Very high16 Ų1653 Ų5317%0.16528%0.275CS..BIsolated β-bridgetrans92.3-146.1-177.200000112.9T96 N97 V124T96-G99 PolarHBondContact N-O 3.38Å; T96-G99 WeakPolarHBondContact O-CA 3.27Å; T96-G99 PolarHBondContact O-N 2.92Å; T96-G99 PolarHBondContact OG1-O 3.38Å; T96-G99 VanDerWaalsContact OG1-O 3.06Å; N97-G99 PolarHBondContact O-N 3.28Å; G99-V124 WeakPolarHBondContact O-CG2 3.38Å
100L96.6Very high94.9Very high11 Ų1154.4 Ų54.46%0.05828%0.283CS..SBendtrans-104.1-8.8-178.8-64.9167.5000113.2L93 K95 F102 A125 L157 V164L93-L100 HydrophobicContact CB-CD2 3.97Å; K95-L100 HydrophobicContact CB-CD2 4.44Å; K95-L100 HydrophobicContact CD-CD1 4.33Å; K95-L100 HydrophobicContact CD-CD2 3.75Å; K95-L100 HydrophobicContact CD-CG 3.71Å; L100-F102 HydrophobicContact CB-CD1 3.75Å; L100-F102 HydrophobicContact CB-CE1 3.39Å; L100-F102 HydrophobicContact CB-CZ 4.17Å; L100-F102 HydrophobicContact CD1-CE1 3.86Å; L100-F102 HydrophobicContact CD1-CZ 3.9Å; L100-F102 HydrophobicContact CG-CE1 4.2Å; L100-A125 VanDerWaalsContact O-CB 3.24Å; L100-A125 WeakPolarHBondContact O-CB 3.42Å; L100-A125 PolarHBondContact O-N 3.49Å; L100-L157 HydrophobicContact CD1-CB 4.43Å; L100-L157 HydrophobicContact CD1-CD2 3.84Å; L100-V164 HydrophobicContact CD1-CG1 4.5Å; L100-V164 HydrophobicContact CD1-CG2 4.46Å; L100-V164 HydrophobicContact CD2-CB 4.18Å; L100-V164 HydrophobicContact CD2-CG2 3.79Å
101G96.6Very high94.8Very high8 Ų857.8 Ų57.88%0.08230%0.298CS..SBendtrans77.228.5176.100000115.7I120G101-I120 WeakPolarHBondContact O-CB 3.32Å; G101-I120 PolarHBondContact O-N 3.14Å
102F97.8Very high94.7Very high23 Ų2358 Ų5810%0.10130%0.301CS..EExtended strand (participates in β ladder)trans-149.3161.2174.564.8-98000112.4L93 L100 V104 I116 R118 I119 A125 L131 L157 L166L93-F102 HydrophobicContact CD1-CD1 4.35Å; L93-F102 HydrophobicContact CD1-CE1 3.91Å; L100-F102 HydrophobicContact CB-CD1 3.75Å; L100-F102 HydrophobicContact CB-CE1 3.39Å; L100-F102 HydrophobicContact CB-CZ 4.17Å; L100-F102 HydrophobicContact CD1-CE1 3.86Å; L100-F102 HydrophobicContact CD1-CZ 3.9Å; L100-F102 HydrophobicContact CG-CE1 4.2Å; F102-V104 HydrophobicContact CD2-CG1 4.03Å; F102-V104 HydrophobicContact CE2-CG1 3.75Å; F102-I116 HydrophobicContact CB-CG2 4.07Å; F102-I116 HydrophobicContact CD2-CD1 3.64Å; F102-I116 HydrophobicContact CD2-CG2 4.34Å; F102-I116 HydrophobicContact CE2-CD1 3.59Å; F102-I116 HydrophobicContact CG-CD1 4.45Å; F102-I116 HydrophobicContact CG-CG2 4.44Å; F102-I116 HydrophobicContact CZ-CD1 4.36Å; F102-R118 CarbonylContact C-O 3.54Å; F102-R118 VanDerWaalsContact CA-O 3.23Å; F102-R118 WeakPolarHBondContact CA-O 3.31Å; F102-R118 WeakPolarHBondContact CB-O 3.13Å; F102-I119 HydrophobicContact CB-CD1 3.88Å; F102-A125 HydrophobicContact CB-CB 4.39Å; F102-A125 HydrophobicContact CD1-CB 3.9Å; F102-L131 HydrophobicContact CB-CD2 4.08Å; F102-L131 HydrophobicContact CD1-CD2 3.37Å; F102-L131 HydrophobicContact CD2-CD2 4.29Å; F102-L131 HydrophobicContact CE1-CD2 3.71Å; F102-L131 HydrophobicContact CG-CD2 3.67Å; F102-L131 HydrophobicContact CZ-CD2 4.31Å; F102-L157 HydrophobicContact CE2-CD1 4Å; F102-L157 HydrophobicContact CE2-CD2 4.49Å; F102-L157 HydrophobicContact CZ-CD1 4.28Å; F102-L157 HydrophobicContact CZ-CD2 3.95Å; F102-L166 HydrophobicContact CE1-CD1 3.96Å; F102-L166 HydrophobicContact CZ-CD1 3.88Å
103N97.2Very high94.6Very high75 Ų7554.9 Ų54.940%0.40129%0.289SS..EExtended strand (participates in β ladder)trans-110.6148.1173.4-652.3000110.5I116 S117 R118N103-I116 WeakPolarHBondContact O-CA 2.92Å; N103-S117 PolarHBondContact O-N 3.41Å; N103-S117 PolarHBondContact O-OG 2.77Å; N103-R118 HydrophobicContact CB-CB 4.18Å; N103-R118 PolarHBondContact N-O 3.17Å
104V97.1Very high94.6Very high23 Ų2355 Ų5514%0.13929%0.29CS..EExtended strand (participates in β ladder)trans-110.1157.1172.7-64.50000111.3F102 I114 Y115 I116 V154 L157F102-V104 HydrophobicContact CD2-CG1 4.03Å; F102-V104 HydrophobicContact CE2-CG1 3.75Å; V104-I114 HydrophobicContact CB-CG2 4.02Å; V104-I114 HydrophobicContact CG1-CG2 4.27Å; V104-Y115 CarbonylContact C-O 3.01Å; V104-Y115 WeakPolarHBondContact CA-O 3.37Å; V104-I116 HydrophobicContact CG1-CD1 3.88Å; V104-V154 HydrophobicContact CG2-CG2 3.7Å; V104-L157 HydrophobicContact CG1-CD1 4.03Å
105M95.8Very high94.7Very high35 Ų3551.8 Ų51.817%0.17227%0.269CS..EExtended strand (participates in β ladder)trans-143.3174.5170.172.5179.2-81.800110.9I114 Y115 L175 E179 F182M105-I114 WeakPolarHBondContact O-CA 3.43Å; M105-Y115 PolarHBondContact N-O 2.96Å; M105-Y115 PolarHBondContact O-N 2.82Å; M105-L175 HydrophobicContact CE-CD1 4.35Å; M105-L175 HydrophobicContact CG-CD1 4.08Å; M105-L175 HydrophobicContact SD-CD1 3.45Å; M105-L175 WeakPolarHBondContact SD-CD1 3.13Å; M105-E179 HydrophobicContact CE-CG 4Å; M105-E179 HydrophobicContact SD-CG 4Å; M105-F182 HydrophobicContact CE-CD2 3.44Å; M105-F182 VanDerWaalsContact CE-CD2 3.44Å; M105-F182 HydrophobicContact CE-CE2 3.49Å; M105-F182 VanDerWaalsContact CE-CE2 3.49Å
106G95.6Very high94.8Very high1 Ų149.1 Ų49.11%0.0126%0.257CS..EExtended strand (participates in β ladder)trans76.6-166.3-174.900000111.9Q110 S112 H150G106-Q110 PolarHBondContact O-NE2 2.98Å; G106-S112 WeakPolarHBondContact CA-OG 3.46Å; G106-H150 VanDerWaalsContact O-CB 3.26Å; G106-H150 WeakPolarHBondContact O-CB 3.42Å; G106-H150 PolarHBondContact O-ND1 2.84Å
107G95.9Very high95Very high0 Ų048 Ų480%025%0.252CS..EExtended strand (participates in β ladder)trans136.9157.6-170.500000111.7E109 Q110 N111 S112G107-E109 PolarHBondContact O-N 3.07Å; G107-Q110 PolarHBondContact O-N 2.91Å; G107-N111 PolarHBondContact O-N 3.34Å; G107-S112 CarbonylContact C-O 3.51Å; G107-S112 VanDerWaalsContact CA-O 3.32Å; G107-S112 WeakPolarHBondContact CA-O 3.39Å; G107-S112 PolarHBondContact N-O 3.02Å; G107-S112 PolarHBondContact N-OG 3.44Å; G107-S112 VanDerWaalsContact N-OG 3.15Å; G107-S112 PolarHBondContact O-N 2.86Å; G107-S112 PolarHBondContact O-OG 3.19Å
108K95.5Very high95.3Very high116 Ų11646.8 Ų46.850%0.50423%0.233SC..G310 helixtrans-54.4-38.9-178.6-175.1-176.1-169.8168.60113.1Q110 N111 S147 E148K108-Q110 PolarHBondContact O-N 3.48Å; K108-Q110 VanDerWaalsContact O-N 3.13Å; K108-N111 PolarHBondContact O-N 3.38Å; K108-S147 WeakPolarHBondContact CD-O 3.27Å; K108-E148 WeakPolarHBondContact CB-O 3.46Å; K108-E148 PolarHBondContact N-O 3.42Å
109E94Very high95.7Very high90 Ų9042.6 Ų42.642%0.42122%0.215SC..G310 helixtrans-64.1-16.9178.972.1-63.3151.600113.6G107 H149 H150G107-E109 PolarHBondContact O-N 3.07Å; E109-H149 WeakPolarHBondContact OE2-CA 3.49Å; E109-H149 IonicContact OE2-CG 3.51Å; E109-H149 IonicContact OE2-ND1 2.75Å; E109-H149 PolarHBondContact OE2-ND1 3.05Å; E109-H149 VanDerWaalsContact OE2-ND1 3.14Å; E109-H150 VanDerWaalsContact OE1-CB 3.23Å; E109-H150 WeakPolarHBondContact OE1-CB 3.32Å; E109-H150 PolarHBondContact OE2-N 2.92Å
110Q91.3Very high95.9Very high80 Ų8045.3 Ų45.337%0.37422%0.224SC..G310 helixtrans-104.410175.6-65.3168.570.400112.4G106 G107 K108 S112 F182G106-Q110 PolarHBondContact O-NE2 2.98Å; G107-Q110 PolarHBondContact O-N 2.91Å; K108-Q110 PolarHBondContact O-N 3.48Å; K108-Q110 VanDerWaalsContact O-N 3.13Å; Q110-S112 PolarHBondContact O-N 2.89Å; Q110-F182 HydrophobicContact CB-CE1 4.09Å; Q110-F182 HydrophobicContact CB-CZ 3.94Å; Q110-F182 HydrophobicContact CG-CE1 4.33Å; Q110-F182 HydrophobicContact CG-CZ 4.39Å
111N92Very high95.9Very high154 Ų15449.8 Ų49.882%0.82425%0.254SS*.THydrogen-bonded Turntrans49.545-171.4-69.4-35.7000112.2G107 K108G107-N111 PolarHBondContact O-N 3.34Å; K108-N111 PolarHBondContact O-N 3.38Å
112S93.2Very high95.9Very high11 Ų1151.6 Ų51.68%0.07727%0.272CS..EExtended strand (participates in β ladder)trans-144.4146.1-174.965.60000112.3G106 G107 Q110 M178G106-S112 WeakPolarHBondContact CA-OG 3.46Å; G107-S112 CarbonylContact C-O 3.51Å; G107-S112 VanDerWaalsContact CA-O 3.32Å; G107-S112 WeakPolarHBondContact CA-O 3.39Å; G107-S112 PolarHBondContact N-O 3.02Å; G107-S112 PolarHBondContact N-OG 3.44Å; G107-S112 VanDerWaalsContact N-OG 3.15Å; G107-S112 PolarHBondContact O-N 2.86Å; G107-S112 PolarHBondContact O-OG 3.19Å; Q110-S112 PolarHBondContact O-N 2.89Å; S112-M178 VanDerWaalsContact CB-CE 3.47Å
113P95.1Very high95.8Very high38 Ų3850.7 Ų50.725%0.24727%0.27CS..EExtended strand (participates in β ladder)trans-66.3167.4171-14.829.1000111.5Y115 Q136P113-Y115 HydrophobicContact CB-CD2 4.22Å; P113-Y115 HydrophobicContact CB-CE2 3.83Å; P113-Y115 HydrophobicContact CG-CE2 4.08Å; P113-Q136 HydrophobicContact CB-CG 4Å
114I97.5Very high95.8Very high1 Ų147.4 Ų47.41%0.00525%0.252CS..EExtended strand (participates in β ladder)trans-88.3126.7177.8-58-173.8000109.3V104 M105 Q136 L137 V145 A153V104-I114 HydrophobicContact CB-CG2 4.02Å; V104-I114 HydrophobicContact CG1-CG2 4.27Å; M105-I114 WeakPolarHBondContact O-CA 3.43Å; I114-Q136 CarbonylContact O-C 3.48Å; I114-Q136 WeakPolarHBondContact O-CA 3.39Å; I114-L137 HydrophobicContact CB-CB 4.46Å; I114-L137 HydrophobicContact CG2-CB 4.2Å; I114-L137 HydrophobicContact CG2-CD2 4.23Å; I114-L137 PolarHBondContact O-N 2.68Å; I114-V145 HydrophobicContact CD1-CB 4.37Å; I114-A153 HydrophobicContact CD1-CB 3.16Å; I114-A153 HydrophobicContact CG2-CB 4.41Å
115Y97.1Very high95.8Very high1 Ų146.3 Ų46.30%0.00425%0.246CC..EExtended strand (participates in β ladder)trans-125.1148.6-177-86.9-94.4000112.4V104 M105 P113 S117 G134 D135 Q136 T171 I174 L175 M178V104-Y115 CarbonylContact C-O 3.01Å; V104-Y115 WeakPolarHBondContact CA-O 3.37Å; M105-Y115 PolarHBondContact N-O 2.96Å; M105-Y115 PolarHBondContact O-N 2.82Å; P113-Y115 HydrophobicContact CB-CD2 4.22Å; P113-Y115 HydrophobicContact CB-CE2 3.83Å; P113-Y115 HydrophobicContact CG-CE2 4.08Å; Y115-S117 PolarHBondContact O-N 2.98Å; Y115-G134 WeakPolarHBondContact CE1-O 3.37Å; Y115-D135 CarbonylContact C-O 3.57Å; Y115-D135 VanDerWaalsContact CA-O 3.31Å; Y115-D135 WeakPolarHBondContact CA-O 3.43Å; Y115-D135 VanDerWaalsContact CD1-C 3.5Å; Y115-D135 WeakPolarHBondContact CD1-O 3.35Å; Y115-Q136 HydrophobicContact CD1-CB 4.21Å; Y115-Q136 HydrophobicContact CE1-CB 3.73Å; Y115-Q136 HydrophobicContact CE2-CB 4.15Å; Y115-Q136 HydrophobicContact CE2-CG 4.09Å; Y115-T171 VanDerWaalsContact CE1-OG1 3.25Å; Y115-T171 WeakPolarHBondContact CE1-OG1 3.39Å; Y115-T171 PolarHBondContact OH-OG1 3.48Å; Y115-I174 HydrophobicContact CE2-CG2 4.14Å; Y115-I174 WeakPolarHBondContact OH-CB 3.28Å; Y115-I174 WeakPolarHBondContact OH-CG2 3.46Å; Y115-L175 HydrophobicContact CD1-CB 3.9Å; Y115-L175 HydrophobicContact CD1-CD1 4.42Å; Y115-L175 HydrophobicContact CE1-CB 4.22Å; Y115-L175 HydrophobicContact CG-CB 4.42Å; Y115-L175 HydrophobicContact CG-CD1 4.21Å; Y115-M178 HydrophobicContact CD2-CE 3.97Å; Y115-M178 HydrophobicContact CD2-SD 3.7Å; Y115-M178 HydrophobicContact CE2-SD 3.69Å
116I97.3Very high95.8Very high0 Ų048.4 Ų48.40%026%0.258CS..EExtended strand (participates in β ladder)trans-74.4105.2165.3-48.9-51000108.6F102 N103 V104 I119 L131 G134 D135F102-I116 HydrophobicContact CB-CG2 4.07Å; F102-I116 HydrophobicContact CD2-CD1 3.64Å; F102-I116 HydrophobicContact CD2-CG2 4.34Å; F102-I116 HydrophobicContact CE2-CD1 3.59Å; F102-I116 HydrophobicContact CG-CD1 4.45Å; F102-I116 HydrophobicContact CG-CG2 4.44Å; F102-I116 HydrophobicContact CZ-CD1 4.36Å; N103-I116 WeakPolarHBondContact O-CA 2.92Å; V104-I116 HydrophobicContact CG1-CD1 3.88Å; I116-I119 HydrophobicContact CG2-CD1 3.63Å; I116-I119 HydrophobicContact CG2-CG1 4.48Å; I116-L131 HydrophobicContact CD1-CD2 4.23Å; I116-L131 HydrophobicContact CG1-CD1 4.06Å; I116-L131 HydrophobicContact CG1-CD2 4.15Å; I116-L131 HydrophobicContact CG1-CG 4.19Å; I116-L131 HydrophobicContact CG2-CD2 4.19Å; I116-L131 HydrophobicContact CG2-CG 4.46Å; I116-G134 PolarHBondContact O-N 3.3Å; I116-D135 HydrophobicContact CB-CB 4.21Å; I116-D135 HydrophobicContact CG1-CB 3.74Å; I116-D135 PolarHBondContact N-O 3.37Å
117S96.6Very high95.8Very high25 Ų2555.4 Ų55.418%0.17528%0.284CS..EExtended strand (participates in β ladder)trans-85.4-28.5-177.858.30000112.9N103 Y115 R133N103-S117 PolarHBondContact O-N 3.41Å; N103-S117 PolarHBondContact O-OG 2.77Å; Y115-S117 PolarHBondContact O-N 2.98Å; S117-R133 VanDerWaalsContact O-CD 3.27Å; S117-R133 WeakPolarHBondContact O-CD 3.46Å; S117-R133 WeakPolarHBondContact O-CG 3.16Å; S117-R133 PolarHBondContact O-NE 3Å
118R97.2Very high95.8Very high157 Ų15759.8 Ų59.859%0.59230%0.304SS*.EExtended strand (participates in β ladder)trans-152137.5-178.3179.6179.4-111.6-149.6-3.8110.8F102 N103F102-R118 CarbonylContact C-O 3.54Å; F102-R118 VanDerWaalsContact CA-O 3.23Å; F102-R118 WeakPolarHBondContact CA-O 3.31Å; F102-R118 WeakPolarHBondContact CB-O 3.13Å; N103-R118 HydrophobicContact CB-CB 4.18Å; N103-R118 PolarHBondContact N-O 3.17Å
119I97.5Very high95.6Very high30 Ų3056.6 Ų56.615%0.15430%0.304CS..EExtended strand (participates in β ladder)trans-96.5132.6162.3-57.3-60.8000107.6F102 I116 P121 A125 D126 L131F102-I119 HydrophobicContact CB-CD1 3.88Å; I116-I119 HydrophobicContact CG2-CD1 3.63Å; I116-I119 HydrophobicContact CG2-CG1 4.48Å; I119-P121 WeakPolarHBondContact O-CD 3.38Å; I119-A125 HydrophobicContact CD1-CB 4.28Å; I119-A125 HydrophobicContact CG2-CB 4.44Å; I119-D126 HydrophobicContact CG2-CB 3.68Å; I119-L131 HydrophobicContact CD1-CB 4.13Å; I119-L131 HydrophobicContact CD1-CD2 3.76Å; I119-L131 HydrophobicContact CD1-CG 3.89Å
120I97.4Very high95.5Very high72 Ų7253.4 Ų53.437%0.36930%0.296SS..PPolyproline II helixtrans-82.4118.5-179.1-60.4177.5000108.2G101 G122 G123 D126G101-I120 WeakPolarHBondContact O-CB 3.32Å; G101-I120 PolarHBondContact O-N 3.14Å; I120-G122 PolarHBondContact O-N 3.1Å; I120-G123 PolarHBondContact O-N 3.2Å; I120-D126 WeakPolarHBondContact O-CB 3.19Å
121P97Very high95.7Very high106 Ų10650 Ų5069%0.68828%0.28SS*.THydrogen-bonded Turntrans-55.6131.7179.1-26.135.3000112I119 G123 D126I119-P121 WeakPolarHBondContact O-CD 3.38Å; P121-G123 PolarHBondContact O-N 2.98Å; P121-D126 WeakPolarHBondContact CA-OD2 3.25Å
122G95.4Very high95.8Very high45 Ų4546.6 Ų46.646%0.46426%0.258SS..THydrogen-bonded Turntrans72.2-1.7-176.900000115I120 D126 R127I120-G122 PolarHBondContact O-N 3.1Å; G122-D126 PolarHBondContact N-OD2 3.14Å; G122-R127 PolarHBondContact O-NH1 2.82Å
123G96Very high95.9Very high5 Ų551.5 Ų51.55%0.05228%0.275CS..SBendtrans-78.3174.4176.700000113.3I120 P121 A125 D126 R127I120-G123 PolarHBondContact O-N 3.2Å; P121-G123 PolarHBondContact O-N 2.98Å; G123-A125 PolarHBondContact O-N 3.33Å; G123-D126 WeakPolarHBondContact O-CB 3.47Å; G123-D126 PolarHBondContact O-N 2.96Å; G123-D126 VanDerWaalsContact O-N 3.13Å; G123-R127 WeakPolarHBondContact O-CG 3.28Å; G123-R127 PolarHBondContact O-N 2.76Å
124V96.8Very high95.8Very high5 Ų549.7 Ų49.73%0.0326%0.263CS..Hα-helixtrans-52-51.5-177179.80000113.1L93 P94 T96 E98 G99 D126 R127 H128L93-V124 HydrophobicContact CB-CG1 4.5Å; L93-V124 HydrophobicContact CD2-CG1 4.46Å; P94-V124 HydrophobicContact CG-CG1 3.87Å; P94-V124 WeakPolarHBondContact O-CG1 3.45Å; T96-V124 HydrophobicContact CG2-CG2 3.83Å; T96-V124 VanDerWaalsContact OG1-CG2 3.31Å; T96-V124 WeakPolarHBondContact OG1-CG2 3.1Å; E98-V124 HydrophobicContact CG-CG2 4.19Å; E98-V124 VanDerWaalsContact OE1-CG2 3.29Å; E98-V124 WeakPolarHBondContact OE1-CG2 3.26Å; G99-V124 WeakPolarHBondContact O-CG2 3.38Å; V124-D126 VanDerWaalsContact C-N 3.31Å; V124-D126 PolarHBondContact O-N 2.83Å; V124-R127 PolarHBondContact O-N 3.18Å; V124-H128 WeakPolarHBondContact O-CB 3.43Å; V124-H128 PolarHBondContact O-N 3.19Å
125A97.2Very high95.7Very high0 Ų049.7 Ų49.70%026%0.263CS..Hα-helixtrans-63.7-35.4-179.200000113.3L93 L100 F102 I119 G123 H128 G129 L131L93-A125 HydrophobicContact CD1-CB 4.11Å; L100-A125 VanDerWaalsContact O-CB 3.24Å; L100-A125 WeakPolarHBondContact O-CB 3.42Å; L100-A125 PolarHBondContact O-N 3.49Å; F102-A125 HydrophobicContact CB-CB 4.39Å; F102-A125 HydrophobicContact CD1-CB 3.9Å; I119-A125 HydrophobicContact CD1-CB 4.28Å; I119-A125 HydrophobicContact CG2-CB 4.44Å; G123-A125 PolarHBondContact O-N 3.33Å; A125-H128 PolarHBondContact O-N 3.02Å; A125-G129 PolarHBondContact O-N 2.94Å; A125-G129 VanDerWaalsContact O-N 3.08Å; A125-L131 HydrophobicContact CB-CB 4.32Å; A125-L131 HydrophobicContact CB-CD2 3.99Å
126D97.1Very high95.7Very high79 Ų7950.7 Ų50.742%0.42227%0.268SS..Hα-helixtrans-66.8-48.4176.7-166.842000111I119 I120 P121 G122 G123 V124 H128 G129I119-D126 HydrophobicContact CG2-CB 3.68Å; I120-D126 WeakPolarHBondContact O-CB 3.19Å; P121-D126 WeakPolarHBondContact CA-OD2 3.25Å; G122-D126 PolarHBondContact N-OD2 3.14Å; G123-D126 WeakPolarHBondContact O-CB 3.47Å; G123-D126 PolarHBondContact O-N 2.96Å; G123-D126 VanDerWaalsContact O-N 3.13Å; V124-D126 VanDerWaalsContact C-N 3.31Å; V124-D126 PolarHBondContact O-N 2.83Å; D126-H128 PolarHBondContact O-N 3.35Å; D126-G129 PolarHBondContact O-N 2.79Å; D126-G129 VanDerWaalsContact O-N 3.1Å
127R95.6Very high95.7Very high148 Ų14850.7 Ų50.756%0.55827%0.268SS*.Hα-helixtrans-63.1-29.7177.2-63.1-171.3-51.8-1033.6112.8E98 G122 G123 V124E98-R127 IonicContact OE1-CZ 3.63Å; E98-R127 VanDerWaalsContact OE1-CZ 3.3Å; E98-R127 IonicContact OE1-NH1 3.9Å; E98-R127 PolarHBondContact OE1-NH1 2.86Å; E98-R127 IonicContact OE1-NH2 2.73Å; E98-R127 PolarHBondContact OE1-NH2 3.39Å; E98-R127 IonicContact OE2-NH1 3.8Å; G122-R127 PolarHBondContact O-NH1 2.82Å; G123-R127 WeakPolarHBondContact O-CG 3.28Å; G123-R127 PolarHBondContact O-N 2.76Å; V124-R127 PolarHBondContact O-N 3.18Å
128H94.6Very high95.7Very high92 Ų9249.9 Ų49.943%0.42626%0.262SS..Hα-helixtrans-76-32174.9-177.7-89000112.7E92 L93 V124 A125 D126 G130E92-H128 PolarHBondContact O-NE2 2.97Å; L93-H128 HydrophobicContact CD2-CB 3.47Å; L93-H128 VanDerWaalsContact CD2-CB 3.47Å; L93-H128 VanDerWaalsContact CD2-CG 3.41Å; V124-H128 WeakPolarHBondContact O-CB 3.43Å; V124-H128 PolarHBondContact O-N 3.19Å; A125-H128 PolarHBondContact O-N 3.02Å; D126-H128 PolarHBondContact O-N 3.35Å; H128-G130 PolarHBondContact ND1-N 3.38Å; H128-G130 PolarHBondContact O-N 2.88Å
129G92.7Very high95.7Very high49 Ų4943.1 Ų43.151%0.50524%0.239SC..  trans72.1-12.1175.900000116.6A125 D126A125-G129 PolarHBondContact O-N 2.94Å; A125-G129 VanDerWaalsContact O-N 3.08Å; D126-G129 PolarHBondContact O-N 2.79Å; D126-G129 VanDerWaalsContact O-N 3.1Å
130G91.7Very high95.8Very high24 Ų2441.8 Ų41.825%0.24723%0.232CC..  trans-74.9-25.1179.700000115.5R89 I91 H128R89-G130 PolarHBondContact NE-O 3.44Å; R89-G130 PolarHBondContact NH2-O 3.02Å; I91-G130 WeakPolarHBondContact CD1-O 3.15Å; H128-G130 PolarHBondContact ND1-N 3.38Å; H128-G130 PolarHBondContact O-N 2.88Å
131L94.4Very high95.7Very high7 Ų742 Ų424%0.03723%0.233CC..  trans-99.2138.2-177.6-163.673.8000110.2I91 L93 F102 I116 I119 A125 D135 V168I91-L131 HydrophobicContact CD1-CB 4.09Å; I91-L131 HydrophobicContact CD1-CD1 3.57Å; I91-L131 HydrophobicContact CD1-CG 4.46Å; L93-L131 HydrophobicContact CD1-CD2 4.37Å; F102-L131 HydrophobicContact CB-CD2 4.08Å; F102-L131 HydrophobicContact CD1-CD2 3.37Å; F102-L131 HydrophobicContact CD2-CD2 4.29Å; F102-L131 HydrophobicContact CE1-CD2 3.71Å; F102-L131 HydrophobicContact CG-CD2 3.67Å; F102-L131 HydrophobicContact CZ-CD2 4.31Å; I116-L131 HydrophobicContact CD1-CD2 4.23Å; I116-L131 HydrophobicContact CG1-CD1 4.06Å; I116-L131 HydrophobicContact CG1-CD2 4.15Å; I116-L131 HydrophobicContact CG1-CG 4.19Å; I116-L131 HydrophobicContact CG2-CD2 4.19Å; I116-L131 HydrophobicContact CG2-CG 4.46Å; I119-L131 HydrophobicContact CD1-CB 4.13Å; I119-L131 HydrophobicContact CD1-CD2 3.76Å; I119-L131 HydrophobicContact CD1-CG 3.89Å; A125-L131 HydrophobicContact CB-CB 4.32Å; A125-L131 HydrophobicContact CB-CD2 3.99Å; L131-D135 HydrophobicContact CD1-CB 4.44Å; L131-V168 HydrophobicContact CD1-CG1 3.88Å; L131-V168 HydrophobicContact CD1-CG2 4.33Å
132K93.6Very high95.7Very high83 Ų8340 Ų4036%0.36123%0.232SC..  trans-129.9149.3-176.1-61.8-176.2-179.3-175.60110.6H85 G134 D135 Y170H85-K132 PolarHBondContact CE1-NZ 2.64Å; H85-K132 PolarHBondContact NE2-NZ 3.45Å; H85-K132 VanDerWaalsContact NE2-NZ 3.11Å; K132-G134 PolarHBondContact O-N 2.97Å; K132-D135 PolarHBondContact N-OD2 3.5Å; K132-D135 WeakPolarHBondContact O-CB 3.28Å; K132-D135 PolarHBondContact O-N 2.94Å; K132-D135 VanDerWaalsContact O-OD2 3.09Å; K132-Y170 HydrophobicContact CB-CD2 3.96Å; K132-Y170 HydrophobicContact CB-CE2 3.76Å; K132-Y170 HydrophobicContact CD-CD2 4.43Å; K132-Y170 HydrophobicContact CD-CE2 4.17Å
133R95.2Very high95.8Very high114 Ų11441.9 Ų41.943%0.4323%0.231SC..THydrogen-bonded Turntrans-58.3133.4164.7172.7177.2174.1-100.2-0.5108.6S117 Y170 L175 E179S117-R133 VanDerWaalsContact O-CD 3.27Å; S117-R133 WeakPolarHBondContact O-CD 3.46Å; S117-R133 WeakPolarHBondContact O-CG 3.16Å; S117-R133 PolarHBondContact O-NE 3Å; R133-Y170 VanDerWaalsContact O-CE2 3.31Å; R133-Y170 WeakPolarHBondContact O-CE2 3.39Å; R133-L175 HydrophobicContact CG-CD2 3.78Å; R133-E179 IonicContact CZ-OE1 2.9Å; R133-E179 IonicContact CZ-OE2 3.49Å; R133-E179 IonicContact NE-OE1 2.65Å; R133-E179 VanDerWaalsContact NH2-CD 3.28Å; R133-E179 IonicContact NH2-OE1 3.63Å; R133-E179 PolarHBondContact NH2-OE1 3.04Å; R133-E179 VanDerWaalsContact NH2-OE1 3.08Å; R133-E179 IonicContact NH2-OE2 3.95Å; R133-E179 PolarHBondContact NH2-OE2 3.23Å
134G94.3Very high95.8Very high1 Ų144.5 Ų44.51%0.0125%0.249CC..THydrogen-bonded Turntrans96.8-0.9-174.800000114.3Y115 I116 K132 T171 L175Y115-G134 WeakPolarHBondContact CE1-O 3.37Å; I116-G134 PolarHBondContact O-N 3.3Å; K132-G134 PolarHBondContact O-N 2.97Å; G134-T171 CarbonylContact O-C 3.5Å; G134-T171 PolarHBondContact O-N 3.35Å; G134-L175 VanDerWaalsContact CA-CD2 3.46Å
135D95.6Very high95.9Very high0 Ų044.3 Ų44.30%025%0.247CC..EExtended strand (participates in β ladder)trans-71.6126.1167.5-77.8-34.1000111.5R89 Y115 I116 L131 K132 V168 R169 Y170R89-D135 IonicContact CZ-OD1 2.7Å; R89-D135 IonicContact CZ-OD2 3.75Å; R89-D135 IonicContact NH1-OD1 3.14Å; R89-D135 PolarHBondContact NH1-OD1 3.45Å; R89-D135 IonicContact NH1-OD2 3.72Å; R89-D135 IonicContact NH2-OD1 3.99Å; R89-D135 PolarHBondContact NH2-OD1 3.12Å; R89-D135 IonicContact NH2-OD2 3.7Å; R89-D135 PolarHBondContact NH2-OD2 3.09Å; Y115-D135 CarbonylContact C-O 3.57Å; Y115-D135 VanDerWaalsContact CA-O 3.31Å; Y115-D135 WeakPolarHBondContact CA-O 3.43Å; Y115-D135 VanDerWaalsContact CD1-C 3.5Å; Y115-D135 WeakPolarHBondContact CD1-O 3.35Å; I116-D135 HydrophobicContact CB-CB 4.21Å; I116-D135 HydrophobicContact CG1-CB 3.74Å; I116-D135 PolarHBondContact N-O 3.37Å; L131-D135 HydrophobicContact CD1-CB 4.44Å; K132-D135 PolarHBondContact N-OD2 3.5Å; K132-D135 WeakPolarHBondContact O-CB 3.28Å; K132-D135 PolarHBondContact O-N 2.94Å; K132-D135 VanDerWaalsContact O-OD2 3.09Å; D135-V168 HydrophobicContact CB-CB 4.09Å; D135-V168 HydrophobicContact CB-CG1 4.48Å; D135-V168 HydrophobicContact CB-CG2 4.46Å; D135-R169 CarbonylContact C-O 3.36Å; D135-R169 WeakPolarHBondContact CA-O 3.47Å; D135-Y170 WeakPolarHBondContact OD1-CA 3.31Å; D135-Y170 WeakPolarHBondContact OD1-CB 3.36Å; D135-Y170 WeakPolarHBondContact OD1-CD2 3.4Å
136Q96.3Very high95.7Very high22 Ų2248.6 Ų48.610%0.10327%0.267CS..EExtended strand (participates in β ladder)trans-74.7127.9161.1-173-175.5-9.800108.9P113 I114 Y115 L138 V168 R169P113-Q136 HydrophobicContact CB-CG 4Å; I114-Q136 CarbonylContact O-C 3.48Å; I114-Q136 WeakPolarHBondContact O-CA 3.39Å; Y115-Q136 HydrophobicContact CD1-CB 4.21Å; Y115-Q136 HydrophobicContact CE1-CB 3.73Å; Y115-Q136 HydrophobicContact CE2-CB 4.15Å; Y115-Q136 HydrophobicContact CE2-CG 4.09Å; Q136-L138 HydrophobicContact CB-CD2 4.47Å; Q136-L138 HydrophobicContact CG-CD2 3.87Å; Q136-V168 CarbonylContact O-C 3.52Å; Q136-V168 WeakPolarHBondContact O-CA 3.25Å; Q136-V168 WeakPolarHBondContact O-CB 3.28Å; Q136-R169 PolarHBondContact N-O 3.45Å; Q136-R169 PolarHBondContact O-N 3.04Å
137L97.5Very high95.6Very high0 Ų049.1 Ų49.10%028%0.277CS..EExtended strand (participates in β ladder)trans-83119.1171.7-174.463.6000109.4I114 V140 V145 L157 L166 V168I114-L137 HydrophobicContact CB-CB 4.46Å; I114-L137 HydrophobicContact CG2-CB 4.2Å; I114-L137 HydrophobicContact CG2-CD2 4.23Å; I114-L137 PolarHBondContact O-N 2.68Å; L137-V140 HydrophobicContact CD1-CG2 4.22Å; L137-V140 HydrophobicContact CD2-CG2 3.8Å; L137-V140 HydrophobicContact CG-CG2 4.26Å; L137-V145 HydrophobicContact CB-CG2 4.25Å; L137-V145 HydrophobicContact CD2-CG2 3.95Å; L137-V145 HydrophobicContact CG-CG2 3.66Å; L137-V145 WeakPolarHBondContact O-CG2 3.42Å; L137-L157 HydrophobicContact CD2-CD1 4.16Å; L137-L166 HydrophobicContact CD1-CB 4.18Å; L137-L166 HydrophobicContact CD1-CD2 4.08Å; L137-V168 HydrophobicContact CD1-CG1 3.95Å
138L97.2Very high95.6Very high9 Ų945.7 Ų45.75%0.04727%0.268CS..EExtended strand (participates in β ladder)trans-99.7-41.9-178.5-54.4179.6000111.6P88 Q136 S144 V145 E146 V167 R169P88-L138 HydrophobicContact CB-CD1 3.93Å; P88-L138 HydrophobicContact CG-CD1 3.95Å; Q136-L138 HydrophobicContact CB-CD2 4.47Å; Q136-L138 HydrophobicContact CG-CD2 3.87Å; L138-S144 CarbonylContact O-C 3.42Å; L138-S144 WeakPolarHBondContact O-CA 3.41Å; L138-S144 PolarHBondContact O-OG 3.08Å; L138-V145 PolarHBondContact O-N 3.4Å; L138-E146 HydrophobicContact CB-CG 4.2Å; L138-E146 HydrophobicContact CD2-CG 3.83Å; L138-V167 WeakPolarHBondContact CA-O 3.4Å; L138-V167 HydrophobicContact CB-CB 4.36Å; L138-V167 HydrophobicContact CB-CG1 4.25Å; L138-V167 WeakPolarHBondContact CB-O 3.35Å; L138-V167 HydrophobicContact CD1-CG1 4.13Å; L138-V167 PolarHBondContact N-O 3.06Å; L138-R169 HydrophobicContact CD1-CB 4.06Å
139S97.7Very high95.7Very high15 Ų1545.3 Ų45.311%0.10527%0.266CS..EExtended strand (participates in β ladder)trans-150.4156.2175.672.50000113.5I143 L166 V167S139-I143 CarbonylContact C-O 3.58Å; S139-I143 WeakPolarHBondContact CA-O 3.35Å; S139-I143 WeakPolarHBondContact CB-O 3.26Å; S139-L166 WeakPolarHBondContact O-CA 3.43Å; S139-V167 PolarHBondContact N-O 3Å; S139-V167 PolarHBondContact O-N 2.84Å; S139-V167 VanDerWaalsContact OG-CB 3.26Å; S139-V167 WeakPolarHBondContact OG-CB 3.46Å; S139-V167 WeakPolarHBondContact OG-CG2 3.37Å
140V97.9Very high95.9Very high2 Ų245.4 Ų45.41%0.01225%0.253CS..EExtended strand (participates in β ladder)trans-124.9118.8173.9-176.40000108.2L137 G142 I143 V145 L156 L157 V164 L166L137-V140 HydrophobicContact CD1-CG2 4.22Å; L137-V140 HydrophobicContact CD2-CG2 3.8Å; L137-V140 HydrophobicContact CG-CG2 4.26Å; V140-G142 PolarHBondContact O-N 3.26Å; V140-I143 PolarHBondContact N-O 3.48Å; V140-I143 WeakPolarHBondContact O-CB 3.28Å; V140-I143 PolarHBondContact O-N 3.34Å; V140-V145 HydrophobicContact CG2-CG1 4.21Å; V140-L156 HydrophobicContact CB-CB 4.29Å; V140-L156 HydrophobicContact CG1-CB 4.26Å; V140-L157 HydrophobicContact CG1-CD2 3.95Å; V140-L157 HydrophobicContact CG2-CD2 3.77Å; V140-L157 HydrophobicContact CG2-CG 4.12Å; V140-V164 HydrophobicContact CG1-CG1 4.01Å; V140-L166 HydrophobicContact CB-CD2 4.37Å; V140-L166 HydrophobicContact CG1-CD2 4.1Å; V140-L166 HydrophobicContact CG2-CD2 4.02Å
141N96.7Very high96.2Very high75 Ų7551.9 Ų51.940%0.40128%0.277SS..THydrogen-bonded Turntrans49.639.3-176.9-70-13.2000113.5I143 V164 K165N141-I143 VanDerWaalsContact C-N 3.28Å; N141-I143 PolarHBondContact O-N 2.97Å; N141-V164 WeakPolarHBondContact OD1-CA 3.22Å; N141-K165 PolarHBondContact N-O 3.35Å; N141-K165 PolarHBondContact OD1-N 2.86Å
142G96.2Very high96.3Very high65 Ų6556.2 Ų56.267%0.6729%0.293SS*.THydrogen-bonded Turntrans82.3-5.5-179.600000115.2V140V140-G142 PolarHBondContact O-N 3.26Å
143I97.2Very high96.5Very high85 Ų8552.2 Ų52.244%0.43628%0.275SS..EExtended strand (participates in β ladder)trans-88.3118.6173.9-59.4170.9000108.4S139 V140 N141 L156S139-I143 CarbonylContact C-O 3.58Å; S139-I143 WeakPolarHBondContact CA-O 3.35Å; S139-I143 WeakPolarHBondContact CB-O 3.26Å; V140-I143 PolarHBondContact N-O 3.48Å; V140-I143 WeakPolarHBondContact O-CB 3.28Å; V140-I143 PolarHBondContact O-N 3.34Å; N141-I143 VanDerWaalsContact C-N 3.28Å; N141-I143 PolarHBondContact O-N 2.97Å; I143-L156 HydrophobicContact CB-CD1 4.31Å; I143-L156 HydrophobicContact CD1-CD2 3.76Å; I143-L156 HydrophobicContact CG2-CD1 3.82Å; I143-L156 HydrophobicContact CG2-CD2 4.49Å
144S97.3Very high96.6Very high60 Ų6048.3 Ų48.342%0.4226%0.264SS..EExtended strand (participates in β ladder)trans-64.6140.9176.7-179.40000111.1L138 E146L138-S144 CarbonylContact O-C 3.42Å; L138-S144 WeakPolarHBondContact O-CA 3.41Å; L138-S144 PolarHBondContact O-OG 3.08Å; S144-E146 PolarHBondContact OG-N 3.34Å
145V97.2Very high96.7Very high0 Ų052.4 Ų52.40%028%0.283CS..  trans-123.59.2176.3-60.60000112.7I114 L137 L138 V140 S147 E148 A153 L156I114-V145 HydrophobicContact CD1-CB 4.37Å; L137-V145 HydrophobicContact CB-CG2 4.25Å; L137-V145 HydrophobicContact CD2-CG2 3.95Å; L137-V145 HydrophobicContact CG-CG2 3.66Å; L137-V145 WeakPolarHBondContact O-CG2 3.42Å; L138-V145 PolarHBondContact O-N 3.4Å; V140-V145 HydrophobicContact CG2-CG1 4.21Å; V145-S147 PolarHBondContact O-N 3.03Å; V145-E148 HydrophobicContact CB-CB 4.31Å; V145-E148 HydrophobicContact CB-CG 4.5Å; V145-E148 PolarHBondContact O-N 2.8Å; V145-A153 HydrophobicContact CB-CB 4.22Å; V145-A153 HydrophobicContact CG1-CB 4.11Å; V145-L156 HydrophobicContact CG1-CD1 3.65Å
146E94.9Very high96.8Very high91 Ų9153.2 Ų53.243%0.42529%0.287SS..THydrogen-bonded Turntrans-61.6-31.3-174-69.3-179.891.500113.6L138 S144L138-E146 HydrophobicContact CB-CG 4.2Å; L138-E146 HydrophobicContact CD2-CG 3.83Å; S144-E146 PolarHBondContact OG-N 3.34Å
147S93.3Very high96.8Very high90 Ų9052.8 Ų52.863%0.62929%0.286SS*.THydrogen-bonded Turntrans-122.727.5-179.7-63.80000112.1K108 V145K108-S147 WeakPolarHBondContact CD-O 3.27Å; V145-S147 PolarHBondContact O-N 3.03Å
148E96.3Very high96.6Very high76 Ų7660.1 Ų60.136%0.35532%0.317SS..  trans-98.6159.7-178.8-72.9-61.2153.600112.5K108 V145K108-E148 WeakPolarHBondContact CB-O 3.46Å; K108-E148 PolarHBondContact N-O 3.42Å; V145-E148 HydrophobicContact CB-CB 4.31Å; V145-E148 HydrophobicContact CB-CG 4.5Å; V145-E148 PolarHBondContact O-N 2.8Å
149H97.3Very high96.5Very high84 Ų8465.1 Ų65.139%0.38934%0.344SS..  trans-68.5150.8171.4-74.1-77.3000111.2E109 E151 R152 A153E109-H149 WeakPolarHBondContact OE2-CA 3.49Å; E109-H149 IonicContact OE2-CG 3.51Å; E109-H149 IonicContact OE2-ND1 2.75Å; E109-H149 PolarHBondContact OE2-ND1 3.05Å; E109-H149 VanDerWaalsContact OE2-ND1 3.14Å; H149-E151 VanDerWaalsContact C-N 3.25Å; H149-E151 PolarHBondContact O-N 3.26Å; H149-R152 HydrophobicContact CB-CB 4.49Å; H149-R152 PolarHBondContact O-N 2.94Å; H149-R152 VanDerWaalsContact O-N 3.11Å; H149-A153 PolarHBondContact O-N 3.07Å
150H97.2Very high96.3Very high50 Ų5064.9 Ų64.923%0.23134%0.342CS..Hα-helixtrans-51.1-48.6177-176.482.2000112G106 E109 R152 A153 V154G106-H150 VanDerWaalsContact O-CB 3.26Å; G106-H150 WeakPolarHBondContact O-CB 3.42Å; G106-H150 PolarHBondContact O-ND1 2.84Å; E109-H150 VanDerWaalsContact OE1-CB 3.23Å; E109-H150 WeakPolarHBondContact OE1-CB 3.32Å; E109-H150 PolarHBondContact OE2-N 2.92Å; H150-R152 VanDerWaalsContact C-N 3.3Å; H150-R152 PolarHBondContact O-N 2.74Å; H150-A153 PolarHBondContact O-N 3.12Å; H150-V154 WeakPolarHBondContact O-CG2 3.42Å; H150-V154 PolarHBondContact O-N 3.43Å
151E97.3Very high96.1Very high160 Ų16072.7 Ų72.775%0.74838%0.379SS*.Hα-helixtrans-59.9-40.2-178.1-65-179171.600112H149 V154 E155H149-E151 VanDerWaalsContact C-N 3.25Å; H149-E151 PolarHBondContact O-N 3.26Å; E151-V154 PolarHBondContact O-N 3.1Å; E151-E155 WeakPolarHBondContact O-CB 3.34Å; E151-E155 PolarHBondContact O-N 3.33Å
152R96.6Very high96Very high98 Ų9871.7 Ų71.737%0.3739%0.386SS..Hα-helixtrans-66.3-42.1-180-178.155.3177.2167.41111.9H149 H150 E155 L156H149-R152 HydrophobicContact CB-CB 4.49Å; H149-R152 PolarHBondContact O-N 2.94Å; H149-R152 VanDerWaalsContact O-N 3.11Å; H150-R152 VanDerWaalsContact C-N 3.3Å; H150-R152 PolarHBondContact O-N 2.74Å; R152-E155 WeakPolarHBondContact CD-OE2 3.35Å; R152-E155 IonicContact CZ-OE2 3.92Å; R152-E155 IonicContact NE-OE2 2.83Å; R152-E155 VanDerWaalsContact NH1-CD 3.34Å; R152-E155 IonicContact NH1-OE1 3.77Å; R152-E155 IonicContact NH1-OE2 3.2Å; R152-E155 PolarHBondContact NH1-OE2 3.38Å; R152-E155 WeakPolarHBondContact O-CB 3.37Å; R152-E155 PolarHBondContact O-N 3.24Å; R152-L156 WeakPolarHBondContact O-CG 3.45Å; R152-L156 PolarHBondContact O-N 2.99Å
153A97Very high96Very high0 Ų072.6 Ų72.60%038%0.379CS..Hα-helixtrans-67.4-39.2175.900000112.3I114 V145 H149 H150 E155 L156 L157I114-A153 HydrophobicContact CD1-CB 3.16Å; I114-A153 HydrophobicContact CG2-CB 4.41Å; V145-A153 HydrophobicContact CB-CB 4.22Å; V145-A153 HydrophobicContact CG1-CB 4.11Å; H149-A153 PolarHBondContact O-N 3.07Å; H150-A153 PolarHBondContact O-N 3.12Å; A153-E155 VanDerWaalsContact C-N 3.3Å; A153-E155 PolarHBondContact O-N 3.45Å; A153-L156 PolarHBondContact O-N 3.47Å; A153-L157 WeakPolarHBondContact O-CB 3.22Å; A153-L157 VanDerWaalsContact O-CG 3.27Å; A153-L157 WeakPolarHBondContact O-CG 3.49Å; A153-L157 PolarHBondContact O-N 2.95Å
154V97Very high96Very high32 Ų3268.6 Ų68.619%0.19436%0.358CS..Hα-helixtrans-61.8-41.3173.9171.40000110.9V104 H150 E151 L157 K158V104-V154 HydrophobicContact CG2-CG2 3.7Å; H150-V154 WeakPolarHBondContact O-CG2 3.42Å; H150-V154 PolarHBondContact O-N 3.43Å; E151-V154 PolarHBondContact O-N 3.1Å; V154-L157 PolarHBondContact O-N 3.42Å; V154-K158 HydrophobicContact CG1-CD 3.93Å; V154-K158 HydrophobicContact CG1-CG 4.34Å; V154-K158 WeakPolarHBondContact O-CB 3.36Å; V154-K158 VanDerWaalsContact O-CG 3.28Å; V154-K158 WeakPolarHBondContact O-CG 3.27Å; V154-K158 PolarHBondContact O-N 3.34Å
155E96.9Very high96.1Very high86 Ų8670.3 Ų70.340%0.40236%0.358SS..Hα-helixtrans-60.2-50.1175.2-172.2-169.9-168.600111.3E151 R152 A153 L157 K158 L159E151-E155 WeakPolarHBondContact O-CB 3.34Å; E151-E155 PolarHBondContact O-N 3.33Å; R152-E155 WeakPolarHBondContact CD-OE2 3.35Å; R152-E155 IonicContact CZ-OE2 3.92Å; R152-E155 IonicContact NE-OE2 2.83Å; R152-E155 VanDerWaalsContact NH1-CD 3.34Å; R152-E155 IonicContact NH1-OE1 3.77Å; R152-E155 IonicContact NH1-OE2 3.2Å; R152-E155 PolarHBondContact NH1-OE2 3.38Å; R152-E155 WeakPolarHBondContact O-CB 3.37Å; R152-E155 PolarHBondContact O-N 3.24Å; A153-E155 VanDerWaalsContact C-N 3.3Å; A153-E155 PolarHBondContact O-N 3.45Å; E155-L157 VanDerWaalsContact C-N 3.31Å; E155-L157 PolarHBondContact O-N 2.94Å; E155-K158 PolarHBondContact O-N 3.12Å; E155-L159 HydrophobicContact CG-CD1 3.77Å; E155-L159 HydrophobicContact CG-CG 4.25Å; E155-L159 WeakPolarHBondContact O-CB 3.48Å; E155-L159 WeakPolarHBondContact O-CG 3.14Å; E155-L159 PolarHBondContact O-N 2.7Å
156L96.9Very high96.1Very high18 Ų1870.3 Ų70.39%0.09436%0.358CS..Hα-helixtrans-56.9-43.5176.4-71172.3000112.1V140 I143 V145 R152 A153 K158 A160V140-L156 HydrophobicContact CB-CB 4.29Å; V140-L156 HydrophobicContact CG1-CB 4.26Å; I143-L156 HydrophobicContact CB-CD1 4.31Å; I143-L156 HydrophobicContact CD1-CD2 3.76Å; I143-L156 HydrophobicContact CG2-CD1 3.82Å; I143-L156 HydrophobicContact CG2-CD2 4.49Å; V145-L156 HydrophobicContact CG1-CD1 3.65Å; R152-L156 WeakPolarHBondContact O-CG 3.45Å; R152-L156 PolarHBondContact O-N 2.99Å; A153-L156 PolarHBondContact O-N 3.47Å; L156-K158 VanDerWaalsContact C-N 3.33Å; L156-K158 PolarHBondContact O-N 2.86Å; L156-A160 WeakPolarHBondContact O-CB 3.36Å; L156-A160 PolarHBondContact O-N 3.28Å; L156-A160 VanDerWaalsContact O-N 3.14Å
157L96.6Very high96.2Very high13 Ų1367.5 Ų67.57%0.06835%0.347CS..Hα-helixtrans-66.8-32.5176.9-70.5169.7000112.9K95 L100 F102 V104 L137 V140 A153 V154 E155 L166K95-L157 PolarHBondContact NZ-O 3.3Å; L100-L157 HydrophobicContact CD1-CB 4.43Å; L100-L157 HydrophobicContact CD1-CD2 3.84Å; F102-L157 HydrophobicContact CE2-CD1 4Å; F102-L157 HydrophobicContact CE2-CD2 4.49Å; F102-L157 HydrophobicContact CZ-CD1 4.28Å; F102-L157 HydrophobicContact CZ-CD2 3.95Å; V104-L157 HydrophobicContact CG1-CD1 4.03Å; L137-L157 HydrophobicContact CD2-CD1 4.16Å; V140-L157 HydrophobicContact CG1-CD2 3.95Å; V140-L157 HydrophobicContact CG2-CD2 3.77Å; V140-L157 HydrophobicContact CG2-CG 4.12Å; A153-L157 WeakPolarHBondContact O-CB 3.22Å; A153-L157 VanDerWaalsContact O-CG 3.27Å; A153-L157 WeakPolarHBondContact O-CG 3.49Å; A153-L157 PolarHBondContact O-N 2.95Å; V154-L157 PolarHBondContact O-N 3.42Å; E155-L157 VanDerWaalsContact C-N 3.31Å; E155-L157 PolarHBondContact O-N 2.94Å; L157-L166 HydrophobicContact CD2-CD2 3.79Å
158K94.8Very high96.4Very high154 Ų15463.2 Ų63.267%0.6732%0.317SS*.Hα-helixtrans-76.5-41.2178-78.9177.2178.6177.90112.3V154 E155 L156 A160V154-K158 HydrophobicContact CG1-CD 3.93Å; V154-K158 HydrophobicContact CG1-CG 4.34Å; V154-K158 WeakPolarHBondContact O-CB 3.36Å; V154-K158 VanDerWaalsContact O-CG 3.28Å; V154-K158 WeakPolarHBondContact O-CG 3.27Å; V154-K158 PolarHBondContact O-N 3.34Å; E155-K158 PolarHBondContact O-N 3.12Å; L156-K158 VanDerWaalsContact C-N 3.33Å; L156-K158 PolarHBondContact O-N 2.86Å; K158-A160 VanDerWaalsContact C-N 3.32Å
159L93.9Very high96.2Very high114 Ų11463.7 Ų63.760%0.59732%0.316SS*.Hα-helixtrans-74.5-22-179.4-69.2175.8000113.1E155 Q161E155-L159 HydrophobicContact CG-CD1 3.77Å; E155-L159 HydrophobicContact CG-CG 4.25Å; E155-L159 WeakPolarHBondContact O-CB 3.48Å; E155-L159 WeakPolarHBondContact O-CG 3.14Å; E155-L159 PolarHBondContact O-N 2.7Å; L159-Q161 PolarHBondContact O-N 3.22Å
160A94Very high96Very high9 Ų962.9 Ų62.97%0.07431%0.309CS..  trans-59.8135.9177.100000111.8K95 L156 K158 V164K95-A160 WeakPolarHBondContact CG-O 3.39Å; L156-A160 WeakPolarHBondContact O-CB 3.36Å; L156-A160 PolarHBondContact O-N 3.28Å; L156-A160 VanDerWaalsContact O-N 3.14Å; K158-A160 VanDerWaalsContact C-N 3.32Å; A160-V164 HydrophobicContact CB-CB 4.35Å; A160-V164 HydrophobicContact CB-CG1 3.9Å; A160-V164 HydrophobicContact CB-CG2 3.59Å
161Q93.4Very high95.7Very high167 Ų16761.9 Ų61.978%0.7831%0.307SS*.  trans-126.4159.4-179.8-62.8-174.64.400110.4L159 T163L159-Q161 PolarHBondContact O-N 3.22Å; Q161-T163 PolarHBondContact O-N 3.35Å
162G94.9Very high95.4Very high53 Ų5355.8 Ų55.855%0.54628%0.281SS..SBendtrans63.8-122.7-179.800000111.1K95K95-G162 WeakPolarHBondContact CB-O 3.44Å; K95-G162 PolarHBondContact N-O 3.46Å
163T96.6Very high95Very high85 Ų8560.4 Ų60.452%0.52130%0.299SS..EExtended strand (participates in β ladder)trans-93.6125176.9-57.40000110.6E92 Q161E92-T163 HydrophobicContact CB-CG2 3.72Å; E92-T163 HydrophobicContact CG-CG2 4.26Å; Q161-T163 PolarHBondContact O-N 3.35Å
164V97.6Very high94.7Very high0 Ų063.7 Ų63.70%032%0.316CS..EExtended strand (participates in β ladder)trans-97.7117.9177.6-168.50000109.3E92 L93 K95 L100 V140 N141 A160 L166E92-V164 WeakPolarHBondContact CA-O 3.4Å; L93-V164 PolarHBondContact N-O 3.06Å; L93-V164 PolarHBondContact O-N 3.03Å; K95-V164 HydrophobicContact CB-CG2 3.91Å; K95-V164 HydrophobicContact CD-CG2 4.36Å; L100-V164 HydrophobicContact CD1-CG1 4.5Å; L100-V164 HydrophobicContact CD1-CG2 4.46Å; L100-V164 HydrophobicContact CD2-CB 4.18Å; L100-V164 HydrophobicContact CD2-CG2 3.79Å; V140-V164 HydrophobicContact CG1-CG1 4.01Å; N141-V164 WeakPolarHBondContact OD1-CA 3.22Å; A160-V164 HydrophobicContact CB-CB 4.35Å; A160-V164 HydrophobicContact CB-CG1 3.9Å; A160-V164 HydrophobicContact CB-CG2 3.59Å; V164-L166 HydrophobicContact CG1-CD2 3.7Å; V164-L166 HydrophobicContact CG1-CG 4.35Å
165K98.1Very high94.5Very high96 Ų9662.2 Ų62.242%0.41731%0.307SS..EExtended strand (participates in β ladder)trans-91.2113.3176-170.6179.9-170.5175.90109.8V90 E92 N141V90-K165 HydrophobicContact CG1-CD 4.15Å; V90-K165 HydrophobicContact CG1-CG 3.7Å; E92-K165 HydrophobicContact CG-CB 4.32Å; E92-K165 HydrophobicContact CG-CG 4.15Å; N141-K165 PolarHBondContact N-O 3.35Å; N141-K165 PolarHBondContact OD1-N 2.86Å
166L98Very high94.3Very high0 Ų063 Ų630%031%0.31CS..EExtended strand (participates in β ladder)trans-105.2139.4176.5-53.1-180000109.3V90 I91 L93 F102 L137 S139 V140 L157 V164 V168V90-L166 CarbonylContact C-O 3.46Å; V90-L166 WeakPolarHBondContact CA-O 3.4Å; I91-L166 PolarHBondContact N-O 3.27Å; I91-L166 PolarHBondContact O-N 3.11Å; L93-L166 HydrophobicContact CD1-CD1 3.94Å; F102-L166 HydrophobicContact CE1-CD1 3.96Å; F102-L166 HydrophobicContact CZ-CD1 3.88Å; L137-L166 HydrophobicContact CD1-CB 4.18Å; L137-L166 HydrophobicContact CD1-CD2 4.08Å; S139-L166 WeakPolarHBondContact O-CA 3.43Å; V140-L166 HydrophobicContact CB-CD2 4.37Å; V140-L166 HydrophobicContact CG1-CD2 4.1Å; V140-L166 HydrophobicContact CG2-CD2 4.02Å; L157-L166 HydrophobicContact CD2-CD2 3.79Å; V164-L166 HydrophobicContact CG1-CD2 3.7Å; V164-L166 HydrophobicContact CG1-CG 4.35Å; L166-V168 HydrophobicContact CB-CG1 4.25Å
167V97.1Very high94Very high33 Ų3367.9 Ų67.920%0.233%0.333CS..EExtended strand (participates in β ladder)trans-108.1123.7164.1-176.40000107.5P88 R89 V90 L138 S139P88-V167 HydrophobicContact CB-CG1 3.97Å; R89-V167 WeakPolarHBondContact O-CA 3.14Å; V90-V167 HydrophobicContact CG2-CG2 4.32Å; L138-V167 WeakPolarHBondContact CA-O 3.4Å; L138-V167 HydrophobicContact CB-CB 4.36Å; L138-V167 HydrophobicContact CB-CG1 4.25Å; L138-V167 WeakPolarHBondContact CB-O 3.35Å; L138-V167 HydrophobicContact CD1-CG1 4.13Å; L138-V167 PolarHBondContact N-O 3.06Å; S139-V167 PolarHBondContact N-O 3Å; S139-V167 PolarHBondContact O-N 2.84Å; S139-V167 VanDerWaalsContact OG-CB 3.26Å; S139-V167 WeakPolarHBondContact OG-CB 3.46Å; S139-V167 WeakPolarHBondContact OG-CG2 3.37Å
168V95.9Very high93.8Very high0 Ų067.3 Ų67.30%033%0.329CS..EExtended strand (participates in β ladder)trans-133.5156.5-175.3-590000112.1P88 R89 I91 L131 D135 Q136 L137 L166P88-V168 CarbonylContact C-O 3.51Å; P88-V168 VanDerWaalsContact CA-O 3.28Å; P88-V168 WeakPolarHBondContact CA-O 3.42Å; R89-V168 HydrophobicContact CG-CG2 3.65Å; R89-V168 PolarHBondContact N-O 3.26Å; R89-V168 PolarHBondContact O-N 3.45Å; I91-V168 HydrophobicContact CD1-CG2 3.42Å; I91-V168 VanDerWaalsContact CD1-CG2 3.42Å; I91-V168 HydrophobicContact CG1-CG2 4.11Å; L131-V168 HydrophobicContact CD1-CG1 3.88Å; L131-V168 HydrophobicContact CD1-CG2 4.33Å; D135-V168 HydrophobicContact CB-CB 4.09Å; D135-V168 HydrophobicContact CB-CG1 4.48Å; D135-V168 HydrophobicContact CB-CG2 4.46Å; Q136-V168 CarbonylContact O-C 3.52Å; Q136-V168 WeakPolarHBondContact O-CA 3.25Å; Q136-V168 WeakPolarHBondContact O-CB 3.28Å; L137-V168 HydrophobicContact CD1-CG1 3.95Å; L166-V168 HydrophobicContact CB-CG1 4.25Å
169R93.8Very high93.7Very high86 Ų8662.3 Ų62.333%0.32531%0.308SS..EExtended strand (participates in β ladder)trans-131.5132.2172.7-175-175.3-65.7165.5-0.1109A86 D135 Q136 L138 T171A86-R169 VanDerWaalsContact O-CD 3.28Å; A86-R169 WeakPolarHBondContact O-CD 3.4Å; A86-R169 VanDerWaalsContact O-CG 3.22Å; A86-R169 WeakPolarHBondContact O-CG 3.45Å; D135-R169 CarbonylContact C-O 3.36Å; D135-R169 WeakPolarHBondContact CA-O 3.47Å; Q136-R169 PolarHBondContact N-O 3.45Å; Q136-R169 PolarHBondContact O-N 3.04Å; L138-R169 HydrophobicContact CD1-CB 4.06Å; R169-T171 HydrophobicContact CG-CG2 4.22Å; R169-T171 PolarHBondContact O-N 2.95Å
170Y92.6Very high93.6Very high66 Ų6659 Ų5926%0.25930%0.298SS..EExtended strand (participates in β ladder)trans-86.4109.5-177.7-176.5-99.2000111H85 K132 R133 D135 P172H85-Y170 HydrophobicContact CB-CD1 3.48Å; H85-Y170 VanDerWaalsContact CB-CD1 3.48Å; H85-Y170 HydrophobicContact CB-CE1 4.31Å; H85-Y170 HydrophobicContact CB-CG 3.94Å; H85-Y170 AromaticContact CE1-CE1 3.9Å; H85-Y170 AromaticContact CG-CD1 3.58Å; H85-Y170 AromaticContact CG-CG 3.95Å; H85-Y170 AromaticContact ND1-CD1 2.92Å; H85-Y170 WeakPolarHBondContact ND1-CD1 3.38Å; H85-Y170 AromaticContact ND1-CD2 3.77Å; H85-Y170 AromaticContact ND1-CE1 3.13Å; H85-Y170 WeakPolarHBondContact ND1-CE1 3.35Å; H85-Y170 AromaticContact ND1-CG 3.2Å; H85-Y170 AromaticContact ND1-CZ 3.71Å; H85-Y170 CarbonylContact O-C 3.59Å; H85-Y170 VanDerWaalsContact O-CA 3.26Å; H85-Y170 WeakPolarHBondContact O-CA 3.45Å; H85-Y170 WeakPolarHBondContact O-CB 3.41Å; H85-Y170 PolarHBondContact O-N 3.29Å; K132-Y170 HydrophobicContact CB-CD2 3.96Å; K132-Y170 HydrophobicContact CB-CE2 3.76Å; K132-Y170 HydrophobicContact CD-CD2 4.43Å; K132-Y170 HydrophobicContact CD-CE2 4.17Å; R133-Y170 VanDerWaalsContact O-CE2 3.31Å; R133-Y170 WeakPolarHBondContact O-CE2 3.39Å; D135-Y170 WeakPolarHBondContact OD1-CA 3.31Å; D135-Y170 WeakPolarHBondContact OD1-CB 3.36Å; D135-Y170 WeakPolarHBondContact OD1-CD2 3.4Å; Y170-P172 HydrophobicContact CD1-CG 3.84Å; Y170-P172 HydrophobicContact CE1-CB 4.16Å; Y170-P172 HydrophobicContact CE1-CG 3.35Å; Y170-P172 HydrophobicContact CE2-CB 4.31Å; Y170-P172 HydrophobicContact CE2-CG 4.35Å
171T90.7Very high93.5Very high30 Ų3065.4 Ų65.418%0.18432%0.32CS..  trans-135.662.2-177.7410000109.9Y115 G134 R169 R173 I174 L175Y115-T171 VanDerWaalsContact CE1-OG1 3.25Å; Y115-T171 WeakPolarHBondContact CE1-OG1 3.39Å; Y115-T171 PolarHBondContact OH-OG1 3.48Å; G134-T171 CarbonylContact O-C 3.5Å; G134-T171 PolarHBondContact O-N 3.35Å; R169-T171 HydrophobicContact CG-CG2 4.22Å; R169-T171 PolarHBondContact O-N 2.95Å; T171-R173 VanDerWaalsContact C-N 3.3Å; T171-R173 PolarHBondContact O-N 3.22Å; T171-I174 HydrophobicContact CG2-CD1 4.36Å; T171-I174 PolarHBondContact O-N 2.84Å; T171-I174 VanDerWaalsContact O-N 3.1Å; T171-L175 PolarHBondContact O-N 3.02Å
172P90.3Very high93.3Very high31 Ų3159.9 Ų59.920%0.20129%0.293CS..Hα-helixtrans-63.3-33.4-169.228.4-39.5000112.9Y170 I174 L175 E176Y170-P172 HydrophobicContact CD1-CG 3.84Å; Y170-P172 HydrophobicContact CE1-CB 4.16Å; Y170-P172 HydrophobicContact CE1-CG 3.35Å; Y170-P172 HydrophobicContact CE2-CB 4.31Å; Y170-P172 HydrophobicContact CE2-CG 4.35Å; P172-I174 VanDerWaalsContact C-N 3.27Å; P172-I174 PolarHBondContact O-N 3.49Å; P172-L175 WeakPolarHBondContact O-CB 3.23Å; P172-L175 PolarHBondContact O-N 2.91Å; P172-L175 VanDerWaalsContact O-N 3.12Å; P172-E176 WeakPolarHBondContact O-CG 3.13Å; P172-E176 PolarHBondContact O-N 3.17Å
173R89.6Confident93.1Very high196 Ų19662.5 Ų62.574%0.7430%0.295SS*.Hα-helixtrans-59.1-39.5177.1-68.4-173.2178.2178.90111.9T171 E176 E177T171-R173 VanDerWaalsContact C-N 3.3Å; T171-R173 PolarHBondContact O-N 3.22Å; R173-E176 PolarHBondContact O-N 3.08Å; R173-E177 WeakPolarHBondContact O-CG 3.26Å; R173-E177 PolarHBondContact O-N 2.96Å
174I90.3Very high92.8Very high69 Ų6965.5 Ų65.535%0.35430%0.301SS..Hα-helixtrans-68.1-39.3178.2-58.5-178.2000110.3Y115 T171 P172 E177 M178Y115-I174 HydrophobicContact CE2-CG2 4.14Å; Y115-I174 WeakPolarHBondContact OH-CB 3.28Å; Y115-I174 WeakPolarHBondContact OH-CG2 3.46Å; T171-I174 HydrophobicContact CG2-CD1 4.36Å; T171-I174 PolarHBondContact O-N 2.84Å; T171-I174 VanDerWaalsContact O-N 3.1Å; P172-I174 VanDerWaalsContact C-N 3.27Å; P172-I174 PolarHBondContact O-N 3.49Å; I174-E177 PolarHBondContact O-N 3.15Å; I174-M178 HydrophobicContact CG2-CG 4.48Å; I174-M178 HydrophobicContact CG2-SD 4.15Å; I174-M178 WeakPolarHBondContact O-CB 3.36Å; I174-M178 VanDerWaalsContact O-CG 3.25Å; I174-M178 WeakPolarHBondContact O-CG 3.48Å; I174-M178 PolarHBondContact O-N 3.28Å
175L92.6Very high92.2Very high1 Ų170.3 Ų70.31%0.00532%0.323CS..Hα-helixtrans-60.2-47.3173.6175.363.3000111.2M105 Y115 R133 G134 T171 P172 E177 M178 E179M105-L175 HydrophobicContact CE-CD1 4.35Å; M105-L175 HydrophobicContact CG-CD1 4.08Å; M105-L175 HydrophobicContact SD-CD1 3.45Å; M105-L175 WeakPolarHBondContact SD-CD1 3.13Å; Y115-L175 HydrophobicContact CD1-CB 3.9Å; Y115-L175 HydrophobicContact CD1-CD1 4.42Å; Y115-L175 HydrophobicContact CE1-CB 4.22Å; Y115-L175 HydrophobicContact CG-CB 4.42Å; Y115-L175 HydrophobicContact CG-CD1 4.21Å; R133-L175 HydrophobicContact CG-CD2 3.78Å; G134-L175 VanDerWaalsContact CA-CD2 3.46Å; T171-L175 PolarHBondContact O-N 3.02Å; P172-L175 WeakPolarHBondContact O-CB 3.23Å; P172-L175 PolarHBondContact O-N 2.91Å; P172-L175 VanDerWaalsContact O-N 3.12Å; L175-E177 VanDerWaalsContact C-N 3.35Å; L175-E177 PolarHBondContact O-N 3.43Å; L175-M178 WeakPolarHBondContact O-CB 3.49Å; L175-M178 PolarHBondContact O-N 3.44Å; L175-M178 VanDerWaalsContact O-N 3.12Å; L175-E179 HydrophobicContact CD1-CG 4.15Å; L175-E179 HydrophobicContact CG-CG 4.42Å; L175-E179 WeakPolarHBondContact O-CG 3.3Å; L175-E179 PolarHBondContact O-N 3.31Å
176E91.9Very high91.7Very high102 Ų10271.4 Ų71.448%0.47733%0.328SS..Hα-helixtrans-60.1-43.7178.8-70.5167-177.100111.7P172 R173 M178 E179 A180P172-E176 WeakPolarHBondContact O-CG 3.13Å; P172-E176 PolarHBondContact O-N 3.17Å; R173-E176 PolarHBondContact O-N 3.08Å; E176-M178 VanDerWaalsContact C-N 3.33Å; E176-M178 PolarHBondContact O-N 3.45Å; E176-E179 PolarHBondContact O-N 3.16Å; E176-A180 WeakPolarHBondContact O-CB 3.32Å; E176-A180 PolarHBondContact O-N 2.88Å
177E91.9Very high91.2Very high121 Ų12173.7 Ų73.757%0.56535%0.347SS*.Hα-helixtrans-64-36.3174.1-72.4173.5-174.100112.6R173 I174 L175 R181R173-E177 WeakPolarHBondContact O-CG 3.26Å; R173-E177 PolarHBondContact O-N 2.96Å; I174-E177 PolarHBondContact O-N 3.15Å; L175-E177 VanDerWaalsContact C-N 3.35Å; L175-E177 PolarHBondContact O-N 3.43Å; E177-R181 WeakPolarHBondContact O-CB 3.25Å; E177-R181 VanDerWaalsContact O-CG 3.3Å; E177-R181 WeakPolarHBondContact O-CG 3.41Å; E177-R181 PolarHBondContact O-N 3.24Å; E177-R181 VanDerWaalsContact O-N 3.08Å; E177-R181 PolarHBondContact O-NE 3.11Å
178M91.5Very high90.7Very high0 Ų080.9 Ų80.90%037%0.37CS..Hα-helixtrans-65.4-49.9174.2-78.2175.25200111.6S112 Y115 I174 L175 E176 A180 R181 F182S112-M178 VanDerWaalsContact CB-CE 3.47Å; Y115-M178 HydrophobicContact CD2-CE 3.97Å; Y115-M178 HydrophobicContact CD2-SD 3.7Å; Y115-M178 HydrophobicContact CE2-SD 3.69Å; I174-M178 HydrophobicContact CG2-CG 4.48Å; I174-M178 HydrophobicContact CG2-SD 4.15Å; I174-M178 WeakPolarHBondContact O-CB 3.36Å; I174-M178 VanDerWaalsContact O-CG 3.25Å; I174-M178 WeakPolarHBondContact O-CG 3.48Å; I174-M178 PolarHBondContact O-N 3.28Å; L175-M178 WeakPolarHBondContact O-CB 3.49Å; L175-M178 PolarHBondContact O-N 3.44Å; L175-M178 VanDerWaalsContact O-N 3.12Å; E176-M178 VanDerWaalsContact C-N 3.33Å; E176-M178 PolarHBondContact O-N 3.45Å; M178-A180 VanDerWaalsContact C-N 3.34Å; M178-A180 PolarHBondContact O-N 3.13Å; M178-R181 VanDerWaalsContact CG-NH2 3.25Å; M178-R181 WeakPolarHBondContact O-CB 3.3Å; M178-R181 PolarHBondContact O-N 3.2Å; M178-R181 VanDerWaalsContact O-N 3.17Å; M178-F182 HydrophobicContact CB-CE2 4.29Å; M178-F182 HydrophobicContact CE-CE2 4.17Å; M178-F182 WeakPolarHBondContact O-CD2 3.37Å; M178-F182 PolarHBondContact O-N 3.14Å
179E93Very high90.1Very high49 Ų4988.6 Ų88.623%0.22940%0.399CS..Hα-helixtrans-57.4-47.3177.1-72.4174.3161.800110.8M105 R133 L175 E176 R181 F182 D183M105-E179 HydrophobicContact CE-CG 4Å; M105-E179 HydrophobicContact SD-CG 4Å; R133-E179 IonicContact CZ-OE1 2.9Å; R133-E179 IonicContact CZ-OE2 3.49Å; R133-E179 IonicContact NE-OE1 2.65Å; R133-E179 VanDerWaalsContact NH2-CD 3.28Å; R133-E179 IonicContact NH2-OE1 3.63Å; R133-E179 PolarHBondContact NH2-OE1 3.04Å; R133-E179 VanDerWaalsContact NH2-OE1 3.08Å; R133-E179 IonicContact NH2-OE2 3.95Å; R133-E179 PolarHBondContact NH2-OE2 3.23Å; L175-E179 HydrophobicContact CD1-CG 4.15Å; L175-E179 HydrophobicContact CG-CG 4.42Å; L175-E179 WeakPolarHBondContact O-CG 3.3Å; L175-E179 PolarHBondContact O-N 3.31Å; E176-E179 PolarHBondContact O-N 3.16Å; E179-R181 VanDerWaalsContact C-N 3.3Å; E179-R181 PolarHBondContact O-N 3.32Å; E179-F182 PolarHBondContact O-N 2.95Å; E179-F182 VanDerWaalsContact O-N 3.16Å; E179-D183 PolarHBondContact O-N 3.47Å
180A93Very high89.5Confident45 Ų4592.9 Ų92.937%0.37242%0.415SS..Hα-helixtrans-61.2-36.3177.300000113.1E176 M178 K184E176-A180 WeakPolarHBondContact O-CB 3.32Å; E176-A180 PolarHBondContact O-N 2.88Å; M178-A180 VanDerWaalsContact C-N 3.34Å; M178-A180 PolarHBondContact O-N 3.13Å; A180-K184 WeakPolarHBondContact O-CB 3.49Å; A180-K184 VanDerWaalsContact O-CG 3.3Å; A180-K184 WeakPolarHBondContact O-CG 3.41Å; A180-K184 PolarHBondContact O-N 2.95Å; A180-K184 VanDerWaalsContact O-N 3.11Å
181R91.2Very high88.7Confident144 Ų14497.6 Ų97.654%0.54344%0.44SS..Hα-helixtrans-67-44.9174.2-79.4-174.9-67.3164.7-3.8111.8E177 M178 E179 K184 Q185E177-R181 WeakPolarHBondContact O-CB 3.25Å; E177-R181 VanDerWaalsContact O-CG 3.3Å; E177-R181 WeakPolarHBondContact O-CG 3.41Å; E177-R181 PolarHBondContact O-N 3.24Å; E177-R181 VanDerWaalsContact O-N 3.08Å; E177-R181 PolarHBondContact O-NE 3.11Å; M178-R181 VanDerWaalsContact CG-NH2 3.25Å; M178-R181 WeakPolarHBondContact O-CB 3.3Å; M178-R181 PolarHBondContact O-N 3.2Å; M178-R181 VanDerWaalsContact O-N 3.17Å; E179-R181 VanDerWaalsContact C-N 3.3Å; E179-R181 PolarHBondContact O-N 3.32Å; R181-K184 PolarHBondContact O-N 2.88Å; R181-Q185 PolarHBondContact O-N 3.25Å
182F87.8Confident87.8Confident51 Ų51103.2 Ų103.222%0.22447%0.468CS..Hα-helixtrans-64.7-40.6178.2-69.7-50.4000112.1M105 Q110 M178 E179 Q185 K186M105-F182 HydrophobicContact CE-CD2 3.44Å; M105-F182 VanDerWaalsContact CE-CD2 3.44Å; M105-F182 HydrophobicContact CE-CE2 3.49Å; M105-F182 VanDerWaalsContact CE-CE2 3.49Å; Q110-F182 HydrophobicContact CB-CE1 4.09Å; Q110-F182 HydrophobicContact CB-CZ 3.94Å; Q110-F182 HydrophobicContact CG-CE1 4.33Å; Q110-F182 HydrophobicContact CG-CZ 4.39Å; M178-F182 HydrophobicContact CB-CE2 4.29Å; M178-F182 HydrophobicContact CE-CE2 4.17Å; M178-F182 WeakPolarHBondContact O-CD2 3.37Å; M178-F182 PolarHBondContact O-N 3.14Å; E179-F182 PolarHBondContact O-N 2.95Å; E179-F182 VanDerWaalsContact O-N 3.16Å; F182-Q185 PolarHBondContact O-N 3.04Å; F182-K186 WeakPolarHBondContact O-CB 3.37Å; F182-K186 PolarHBondContact O-N 3.41Å
183D90.9Very high86.4Confident107 Ų107111.1 Ų111.157%0.57251%0.509SS*.Hα-helixtrans-63.2-43.8176.3-77.8-21000112E179 Q185 K186 A187E179-D183 PolarHBondContact O-N 3.47Å; D183-Q185 VanDerWaalsContact C-N 3.33Å; D183-Q185 PolarHBondContact O-N 2.86Å; D183-K186 PolarHBondContact O-N 3.15Å; D183-A187 WeakPolarHBondContact O-CB 3.47Å; D183-A187 PolarHBondContact O-N 3.08Å
184K90.5Very high86.2Confident149 Ų149106.9 Ų106.965%0.64850%0.497SS*.Hα-helixtrans-59.4-42.9173.8-76.8174.2-176.8176.50112A180 R181 R188A180-K184 WeakPolarHBondContact O-CB 3.49Å; A180-K184 VanDerWaalsContact O-CG 3.3Å; A180-K184 WeakPolarHBondContact O-CG 3.41Å; A180-K184 PolarHBondContact O-N 2.95Å; A180-K184 VanDerWaalsContact O-N 3.11Å; R181-K184 PolarHBondContact O-N 2.88Å; K184-R188 WeakPolarHBondContact O-CG 3.36Å; K184-R188 PolarHBondContact O-N 3.37Å; K184-R188 VanDerWaalsContact O-N 3.08Å
185Q85.8Confident86Confident100 Ų100108.9 Ų108.947%0.46751%0.505SS..Hα-helixtrans-67.7-40.1179.1-167.9177.679.700111.7R181 F182 D183 R188 R189R181-Q185 PolarHBondContact O-N 3.25Å; F182-Q185 PolarHBondContact O-N 3.04Å; D183-Q185 VanDerWaalsContact C-N 3.33Å; D183-Q185 PolarHBondContact O-N 2.86Å; Q185-R188 PolarHBondContact O-N 3.27Å; Q185-R189 WeakPolarHBondContact O-CG 3.47Å; Q185-R189 PolarHBondContact O-N 3.49Å; Q185-R189 VanDerWaalsContact O-N 3.09Å
186K86.7Confident85.7Confident120 Ų120114.9 Ų114.952%0.52253%0.533SS..Hα-helixtrans-66.3-40.6176.6-168.3176.6-177.4177.70112F182 D183 R189 R190F182-K186 WeakPolarHBondContact O-CB 3.37Å; F182-K186 PolarHBondContact O-N 3.41Å; D183-K186 PolarHBondContact O-N 3.15Å; K186-R189 PolarHBondContact O-N 3.3Å; K186-R190 WeakPolarHBondContact O-CG 3.44Å; K186-R190 PolarHBondContact O-N 3.42Å; K186-R190 VanDerWaalsContact O-N 3.15Å
187A87.5Confident85.3Confident48 Ų48115.6 Ų115.640%0.39754%0.536SS..Hα-helixtrans-61.9-43.917500000111.8D183 R189 R190 Q191D183-A187 WeakPolarHBondContact O-CB 3.47Å; D183-A187 PolarHBondContact O-N 3.08Å; A187-R189 PolarHBondContact O-N 3.09Å; A187-R190 PolarHBondContact O-N 3.11Å; A187-Q191 PolarHBondContact O-N 3.33Å
188R88Confident84.9Confident183 Ų183115.3 Ų115.369%0.69153%0.534SS*.Hα-helixtrans-60.3-45.3175.1-74.8-177.8-180-143.60.2112.2K184 Q185 R190 Q191 L192K184-R188 WeakPolarHBondContact O-CG 3.36Å; K184-R188 PolarHBondContact O-N 3.37Å; K184-R188 VanDerWaalsContact O-N 3.08Å; Q185-R188 PolarHBondContact O-N 3.27Å; R188-R190 VanDerWaalsContact C-N 3.27Å; R188-R190 PolarHBondContact O-N 3.42Å; R188-Q191 PolarHBondContact O-N 3.32Å; R188-Q191 VanDerWaalsContact O-N 3.11Å; R188-L192 WeakPolarHBondContact O-CD1 3.44Å; R188-L192 PolarHBondContact O-N 3.41Å
189R83.3Confident84.4Confident162 Ų162123 Ų12361%0.61157%0.57SS**Hα-helixtrans-61.1-34.2178.2-73179.1-178.5174.73.4113Q185 K186 A187 Q191 L192Q185-R189 WeakPolarHBondContact O-CG 3.47Å; Q185-R189 PolarHBondContact O-N 3.49Å; Q185-R189 VanDerWaalsContact O-N 3.09Å; K186-R189 PolarHBondContact O-N 3.3Å; A187-R189 PolarHBondContact O-N 3.09Å; R189-Q191 VanDerWaalsContact C-N 3.31Å; R189-Q191 PolarHBondContact O-N 3.49Å; R189-L192 PolarHBondContact O-N 3.39Å
190R80.7Confident83.8Confident176 Ų176128.3 Ų128.366%0.66459%0.594SS**Hα-helixtrans-71.1-22.4176.3-73.5175.8173.2179.9-4.4114.1K186 A187 R188K186-R190 WeakPolarHBondContact O-CG 3.44Å; K186-R190 PolarHBondContact O-N 3.42Å; K186-R190 VanDerWaalsContact O-N 3.15Å; A187-R190 PolarHBondContact O-N 3.11Å; R188-R190 VanDerWaalsContact C-N 3.27Å; R188-R190 PolarHBondContact O-N 3.42Å
191Q75.7Confident83.1Confident166 Ų166134.7 Ų134.778%0.77661%0.611SS**Hα-helixtrans-85.8-16176.7-70.5178.6-9.100112.7A187 R188 R189A187-Q191 PolarHBondContact O-N 3.33Å; R188-Q191 PolarHBondContact O-N 3.32Å; R188-Q191 VanDerWaalsContact O-N 3.11Å; R189-Q191 VanDerWaalsContact C-N 3.31Å; R189-Q191 PolarHBondContact O-N 3.49Å
192L71.9Confident82.4Confident147 Ų147133.9 Ų133.977%0.7762%0.617SS**  trans-93.4-6178.9-92126.8000113.5R188 R189R188-L192 WeakPolarHBondContact O-CD1 3.44Å; R188-L192 PolarHBondContact O-N 3.41Å; R189-L192 PolarHBondContact O-N 3.39Å
193N60.4Low82Confident198 Ų198141.5 Ų141.5100%1.05965%0.652SS**  trans-118.80178.4-66.7-8.5000109.7

Retrieved 193 of 193 residues in 54.1 ms (Link to these results)

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