A0A087Y303_POEFO Loading...

Glutamine--tRNA ligase

Glutamine--tRNA ligase. Plays a critical role in brain development.

AlphaFold DB , UniProt , Accession A0A087Y303, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 780 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
1M55.2Low72.6Confident193 Ų19369.9 Ų69.995%0.95140%0.395SS*.  0-51.40-86.1-167.1-88.100112.6E3 I4 L5M1-E3 PolarHBondContact O-N 3.14Å; M1-I4 PolarHBondContact O-N 3.13Å; M1-L5 WeakPolarHBondContact O-CB 3.3Å; M1-L5 PolarHBondContact O-N 2.69Å
2A59.5Low73Confident79 Ų7967.1 Ų67.165%0.65339%0.393SS*.Hα-helixtrans-58.2-41.9179.600000113.9I4 L5 T6A2-I4 PolarHBondContact O-N 3Å; A2-L5 PolarHBondContact O-N 3.45Å; A2-T6 PolarHBondContact O-N 3.08Å; A2-T6 PolarHBondContact O-OG1 3.37Å
3E68.1Low73.8Confident162 Ų16263.3 Ų63.376%0.75737%0.37SS*.Hα-helixtrans-67.6-32.4177.9-70.2-179157.400114.6M1 T6 L7M1-E3 PolarHBondContact O-N 3.14Å; E3-T6 WeakPolarHBondContact CA-OG1 3.27Å; E3-T6 PolarHBondContact O-OG1 2.82Å; E3-L7 VanDerWaalsContact O-CB 3.29Å; E3-L7 WeakPolarHBondContact O-CB 3.3Å; E3-L7 PolarHBondContact O-N 3.05Å; E3-L7 VanDerWaalsContact O-N 3.08Å
4I71.7Confident74.5Confident40 Ų4063.8 Ų63.821%0.20538%0.379CS..Hα-helixtrans-77-34.9177.6-58176.8000109.4M1 A2 L7 F8 L22M1-I4 PolarHBondContact O-N 3.13Å; A2-I4 PolarHBondContact O-N 3Å; I4-L7 PolarHBondContact O-N 2.97Å; I4-F8 HydrophobicContact CG2-CD1 4.36Å; I4-F8 HydrophobicContact CG2-CD2 3.84Å; I4-F8 HydrophobicContact CG2-CE1 4Å; I4-F8 HydrophobicContact CG2-CE2 3.44Å; I4-F8 VanDerWaalsContact CG2-CE2 3.44Å; I4-F8 HydrophobicContact CG2-CG 4.28Å; I4-F8 HydrophobicContact CG2-CZ 3.52Å; I4-F8 WeakPolarHBondContact O-CB 3.47Å; I4-F8 WeakPolarHBondContact O-CG 3.48Å; I4-F8 PolarHBondContact O-N 3.1Å; I4-L22 HydrophobicContact CB-CD2 4.23Å; I4-L22 HydrophobicContact CG2-CD2 3.57Å
5L75.5Confident74.9Confident65 Ų6568.3 Ų68.334%0.3440%0.395SS..Hα-helixtrans-64.8-43.4175.9-167.9125.7000111.2M1 A2 T9 V18 L22M1-L5 WeakPolarHBondContact O-CB 3.3Å; M1-L5 PolarHBondContact O-N 2.69Å; A2-L5 PolarHBondContact O-N 3.45Å; L5-T9 WeakPolarHBondContact O-CG2 3.38Å; L5-T9 PolarHBondContact O-N 3.14Å; L5-T9 VanDerWaalsContact O-N 3.08Å; L5-T9 PolarHBondContact O-OG1 3.35Å; L5-V18 HydrophobicContact CD1-CG1 4.17Å; L5-V18 HydrophobicContact CG-CG1 4.1Å; L5-L22 HydrophobicContact CD1-CD1 4.25Å
6T76.4Confident75.4Confident84 Ų8472.8 Ų72.852%0.51541%0.411SS..Hα-helixtrans-67.4-35.3173.948.50000112.8A2 E3 T9 S10A2-T6 PolarHBondContact O-N 3.08Å; A2-T6 PolarHBondContact O-OG1 3.37Å; E3-T6 WeakPolarHBondContact CA-OG1 3.27Å; E3-T6 PolarHBondContact O-OG1 2.82Å; T6-T9 WeakPolarHBondContact CA-OG1 3.37Å; T6-T9 PolarHBondContact O-OG1 2.77Å; T6-S10 VanDerWaalsContact O-CB 3.32Å; T6-S10 WeakPolarHBondContact O-CB 3.28Å; T6-S10 PolarHBondContact O-N 3.4Å; T6-S10 PolarHBondContact O-OG 2.73Å
7L79.9Confident75.8Confident29 Ų2973.7 Ų73.715%0.15241%0.409CS..Hα-helixtrans-68.1-37.5176.6-170.869.9000112.6E3 I4 S10 K32 I35E3-L7 VanDerWaalsContact O-CB 3.29Å; E3-L7 WeakPolarHBondContact O-CB 3.3Å; E3-L7 PolarHBondContact O-N 3.05Å; E3-L7 VanDerWaalsContact O-N 3.08Å; I4-L7 PolarHBondContact O-N 2.97Å; L7-S10 PolarHBondContact O-OG 2.71Å; L7-K32 HydrophobicContact CD2-CG 4.01Å; L7-I35 HydrophobicContact CD1-CG2 3.77Å; L7-I35 HydrophobicContact CD2-CD1 4.39Å; L7-I35 HydrophobicContact CD2-CG2 4.33Å; L7-I35 HydrophobicContact CG-CD1 4.21Å; L7-I35 HydrophobicContact CG-CG2 4.07Å
8F81.4Confident76.1Confident0 Ų069.6 Ų69.60%039%0.386CS..Hα-helixtrans-81.1-29.8-179.4-68.3-7.1000112.7I4 I11 L13 V18 T21 L22 S28 L31 K32 I35I4-F8 HydrophobicContact CG2-CD1 4.36Å; I4-F8 HydrophobicContact CG2-CD2 3.84Å; I4-F8 HydrophobicContact CG2-CE1 4Å; I4-F8 HydrophobicContact CG2-CE2 3.44Å; I4-F8 VanDerWaalsContact CG2-CE2 3.44Å; I4-F8 HydrophobicContact CG2-CG 4.28Å; I4-F8 HydrophobicContact CG2-CZ 3.52Å; I4-F8 WeakPolarHBondContact O-CB 3.47Å; I4-F8 WeakPolarHBondContact O-CG 3.48Å; I4-F8 PolarHBondContact O-N 3.1Å; F8-I11 WeakPolarHBondContact O-CG1 3.3Å; F8-L13 HydrophobicContact CB-CD1 4.22Å; F8-L13 WeakPolarHBondContact O-CB 3.34Å; F8-L13 PolarHBondContact O-N 3.28Å; F8-V18 HydrophobicContact CB-CB 4.42Å; F8-V18 HydrophobicContact CB-CG1 3.93Å; F8-V18 HydrophobicContact CB-CG2 3.71Å; F8-V18 HydrophobicContact CD2-CG1 4.22Å; F8-T21 HydrophobicContact CE2-CG2 4.21Å; F8-L22 HydrophobicContact CD2-CD2 4.41Å; F8-L22 HydrophobicContact CE2-CD2 4.12Å; F8-S28 WeakPolarHBondContact CE2-OG 3.33Å; F8-S28 WeakPolarHBondContact CZ-O 3.36Å; F8-L31 HydrophobicContact CD1-CD2 3.92Å; F8-L31 HydrophobicContact CD1-CG 4.25Å; F8-L31 HydrophobicContact CD2-CD2 4.33Å; F8-L31 HydrophobicContact CE1-CB 4.23Å; F8-L31 HydrophobicContact CE1-CD2 3.72Å; F8-L31 HydrophobicContact CE1-CG 3.76Å; F8-L31 HydrophobicContact CE2-CD2 4.14Å; F8-L31 HydrophobicContact CG-CD2 4.24Å; F8-L31 HydrophobicContact CZ-CB 4.2Å; F8-L31 HydrophobicContact CZ-CD2 3.84Å; F8-L31 HydrophobicContact CZ-CG 4.11Å; F8-K32 HydrophobicContact CE1-CB 4.39Å; F8-I35 HydrophobicContact CD1-CD1 3.81Å; F8-I35 HydrophobicContact CE1-CD1 3.9Å
9T79.5Confident76.4Confident48 Ų4872.5 Ų72.529%0.29440%0.395SS..Hα-helixtrans-74.2-32.6171.551.60000112.4L5 T6 I11 G12 E15 V18L5-T9 WeakPolarHBondContact O-CG2 3.38Å; L5-T9 PolarHBondContact O-N 3.14Å; L5-T9 VanDerWaalsContact O-N 3.08Å; L5-T9 PolarHBondContact O-OG1 3.35Å; T6-T9 WeakPolarHBondContact CA-OG1 3.37Å; T6-T9 PolarHBondContact O-OG1 2.77Å; T9-I11 PolarHBondContact O-N 2.82Å; T9-G12 PolarHBondContact O-N 2.92Å; T9-E15 HydrophobicContact CG2-CG 4.46Å; T9-V18 HydrophobicContact CG2-CG2 4.03Å
10S77.1Confident76.8Confident67 Ų6774.1 Ų74.147%0.46940%0.399SS..Hα-helixtrans-63.6-29.4177.9690000113T6 L7 G12T6-S10 VanDerWaalsContact O-CB 3.32Å; T6-S10 WeakPolarHBondContact O-CB 3.28Å; T6-S10 PolarHBondContact O-N 3.4Å; T6-S10 PolarHBondContact O-OG 2.73Å; L7-S10 PolarHBondContact O-OG 2.71Å; S10-G12 VanDerWaalsContact C-N 3.28Å; S10-G12 PolarHBondContact O-N 2.94Å
11I74.6Confident77.1Confident2 Ų270.6 Ų70.61%0.0138%0.381CS..THydrogen-bonded Turntrans-85.26.8175.565.7154.4000114F8 T9 L13 L31 I35 V47F8-I11 WeakPolarHBondContact O-CG1 3.3Å; T9-I11 PolarHBondContact O-N 2.82Å; I11-L13 HydrophobicContact CD1-CD1 3.98Å; I11-L13 HydrophobicContact CD1-CG 4.27Å; I11-L13 HydrophobicContact CG1-CD1 4.39Å; I11-L13 HydrophobicContact CG1-CG 4.35Å; I11-L31 HydrophobicContact CD1-CD1 4.15Å; I11-L31 HydrophobicContact CD1-CD2 4.42Å; I11-I35 HydrophobicContact CD1-CD1 3.57Å; I11-I35 HydrophobicContact CD1-CG1 4.21Å; I11-I35 HydrophobicContact CG1-CD1 4.21Å; I11-I35 HydrophobicContact CG2-CD1 4.02Å; I11-I35 HydrophobicContact CG2-CG1 4.15Å; I11-I35 HydrophobicContact CG2-CG2 4.25Å; I11-V47 HydrophobicContact CG2-CG1 4Å
12G77.4Confident78.5Confident36 Ų3663.7 Ų63.737%0.37135%0.347SS..THydrogen-bonded Turntrans94.69.6170.900000116.4T9 S10T9-G12 PolarHBondContact O-N 2.92Å; S10-G12 VanDerWaalsContact C-N 3.28Å; S10-G12 PolarHBondContact O-N 2.94Å
13L82.9Confident79.7Confident18 Ų1868.5 Ų68.59%0.09435%0.353CS..  trans-76.2139.1173.2-61.3172.2000111F8 I11 V18 L31 Y56F8-L13 HydrophobicContact CB-CD1 4.22Å; F8-L13 WeakPolarHBondContact O-CB 3.34Å; F8-L13 PolarHBondContact O-N 3.28Å; I11-L13 HydrophobicContact CD1-CD1 3.98Å; I11-L13 HydrophobicContact CD1-CG 4.27Å; I11-L13 HydrophobicContact CG1-CD1 4.39Å; I11-L13 HydrophobicContact CG1-CG 4.35Å; L13-V18 HydrophobicContact CB-CG2 3.63Å; L13-V18 HydrophobicContact CD1-CG2 4.48Å; L13-L31 HydrophobicContact CD1-CD2 4.13Å; L13-Y56 HydrophobicContact CD1-CD2 3.62Å; L13-Y56 HydrophobicContact CD1-CE2 4.02Å; L13-Y56 HydrophobicContact CD1-CG 4.34Å; L13-Y56 HydrophobicContact CD2-CD1 4.29Å; L13-Y56 HydrophobicContact CD2-CD2 3.89Å; L13-Y56 HydrophobicContact CD2-CE2 4.27Å; L13-Y56 HydrophobicContact CD2-CG 3.89Å; L13-Y56 HydrophobicContact CG-CD2 4.4Å
14S84.4Confident80.6Confident70 Ų7064.5 Ų64.549%0.4934%0.337SS..  trans-67149.2173.867.10000111Q16 K17 V18S14-Q16 PolarHBondContact O-N 2.88Å; S14-Q16 VanDerWaalsContact O-N 3.1Å; S14-K17 PolarHBondContact O-N 2.89Å; S14-K17 WeakPolarHBondContact OG-CB 3.39Å; S14-K17 PolarHBondContact OG-N 2.96Å; S14-V18 WeakPolarHBondContact O-CG2 3.32Å; S14-V18 PolarHBondContact O-N 2.87Å
15E80.2Confident81.2Confident132 Ų13270.6 Ų70.662%0.61737%0.365SS*.Hα-helixtrans-54.7-34.9-179.2-67.1-170.8173.500113.2T9 K19T9-E15 HydrophobicContact CG2-CG 4.46Å; E15-K19 WeakPolarHBondContact O-CG 3.28Å; E15-K19 PolarHBondContact O-N 2.89Å; E15-K19 VanDerWaalsContact O-N 3.08Å
16Q82.4Confident81.5Confident140 Ų14071 Ų7165%0.65438%0.378SS*.Hα-helixtrans-62.6-47.8174.7-176.5177.7-7.700111.5S14 V18 K19 E20S14-Q16 PolarHBondContact O-N 2.88Å; S14-Q16 VanDerWaalsContact O-N 3.1Å; Q16-V18 VanDerWaalsContact C-N 3.33Å; Q16-V18 PolarHBondContact O-N 2.87Å; Q16-K19 PolarHBondContact O-N 3.48Å; Q16-E20 PolarHBondContact O-N 2.77Å; Q16-E20 VanDerWaalsContact O-N 3.11Å
17K82.1Confident82Confident88 Ų8868 Ų6838%0.38336%0.358SS..Hα-helixtrans-70.4-31-178.8-160.8156.9-175.5173.20112.2S14 E20 T21 Y56S14-K17 PolarHBondContact O-N 2.89Å; S14-K17 WeakPolarHBondContact OG-CB 3.39Å; S14-K17 PolarHBondContact OG-N 2.96Å; K17-E20 PolarHBondContact O-N 3.43Å; K17-T21 WeakPolarHBondContact O-CB 3.47Å; K17-T21 PolarHBondContact O-N 3.1Å; K17-T21 PolarHBondContact O-OG1 3.38Å; K17-Y56 WeakPolarHBondContact CE-OH 3.44Å
18V81.9Confident82.2Confident0 Ų067.3 Ų67.30%036%0.356CS..Hα-helixtrans-63.2-46.3171.1173.90000110.9L5 F8 T9 L13 S14 Q16 E20 T21 L22L5-V18 HydrophobicContact CD1-CG1 4.17Å; L5-V18 HydrophobicContact CG-CG1 4.1Å; F8-V18 HydrophobicContact CB-CB 4.42Å; F8-V18 HydrophobicContact CB-CG1 3.93Å; F8-V18 HydrophobicContact CB-CG2 3.71Å; F8-V18 HydrophobicContact CD2-CG1 4.22Å; T9-V18 HydrophobicContact CG2-CG2 4.03Å; L13-V18 HydrophobicContact CB-CG2 3.63Å; L13-V18 HydrophobicContact CD1-CG2 4.48Å; S14-V18 WeakPolarHBondContact O-CG2 3.32Å; S14-V18 PolarHBondContact O-N 2.87Å; Q16-V18 VanDerWaalsContact C-N 3.33Å; Q16-V18 PolarHBondContact O-N 2.87Å; V18-E20 VanDerWaalsContact C-N 3.3Å; V18-E20 PolarHBondContact O-N 3.47Å; V18-T21 PolarHBondContact O-N 2.85Å; V18-L22 HydrophobicContact CG1-CD1 3.93Å; V18-L22 HydrophobicContact CG1-CG 4.33Å; V18-L22 WeakPolarHBondContact O-CB 3.42Å; V18-L22 VanDerWaalsContact O-CG 3.28Å; V18-L22 WeakPolarHBondContact O-CG 3.39Å; V18-L22 PolarHBondContact O-N 3.12Å
19K82.1Confident82.4Confident125 Ų12570.9 Ų70.954%0.54338%0.381SS..Hα-helixtrans-61.9-36.3176.8-72.8173.4-175173.80112.7E15 Q16 K23E15-K19 WeakPolarHBondContact O-CG 3.28Å; E15-K19 PolarHBondContact O-N 2.89Å; E15-K19 VanDerWaalsContact O-N 3.08Å; Q16-K19 PolarHBondContact O-N 3.48Å; K19-K23 WeakPolarHBondContact O-CG 3.43Å
20E83.9Confident82.7Confident103 Ų10369.2 Ų69.248%0.48137%0.372SS..Hα-helixtrans-69.2-42.7174.3-71.3169.3-171.300111.9Q16 K17 V18 L22 K23Q16-E20 PolarHBondContact O-N 2.77Å; Q16-E20 VanDerWaalsContact O-N 3.11Å; K17-E20 PolarHBondContact O-N 3.43Å; V18-E20 VanDerWaalsContact C-N 3.3Å; V18-E20 PolarHBondContact O-N 3.47Å; E20-L22 PolarHBondContact O-N 2.87Å; E20-K23 WeakPolarHBondContact O-CB 3.15Å; E20-K23 PolarHBondContact O-N 2.92Å
21T83.7Confident83.1Confident2 Ų266 Ų661%0.01235%0.35CS..Hα-helixtrans-66.3-38.1-179.8-560000111.6F8 K17 V18 K23 N24 L27 L31 Y56F8-T21 HydrophobicContact CE2-CG2 4.21Å; K17-T21 WeakPolarHBondContact O-CB 3.47Å; K17-T21 PolarHBondContact O-N 3.1Å; K17-T21 PolarHBondContact O-OG1 3.38Å; V18-T21 PolarHBondContact O-N 2.85Å; T21-K23 PolarHBondContact O-N 3.01Å; T21-N24 PolarHBondContact O-N 3.04Å; T21-N24 VanDerWaalsContact O-O 3.13Å; T21-L27 HydrophobicContact CG2-CD2 3.94Å; T21-L27 HydrophobicContact CG2-CG 3.95Å; T21-L31 HydrophobicContact CG2-CD2 4.13Å; T21-Y56 HydrophobicContact CG2-CE2 3.93Å; T21-Y56 WeakPolarHBondContact OG1-CE2 3.4Å; T21-Y56 PolarHBondContact OG1-OH 2.96Å
22L83.4Confident83.7Confident48 Ų4870.1 Ų70.125%0.25137%0.367SS..Hα-helixtrans-64.5-22.2176.2-75171.2000113.7I4 L5 F8 V18 E20 N24I4-L22 HydrophobicContact CB-CD2 4.23Å; I4-L22 HydrophobicContact CG2-CD2 3.57Å; L5-L22 HydrophobicContact CD1-CD1 4.25Å; F8-L22 HydrophobicContact CD2-CD2 4.41Å; F8-L22 HydrophobicContact CE2-CD2 4.12Å; V18-L22 HydrophobicContact CG1-CD1 3.93Å; V18-L22 HydrophobicContact CG1-CG 4.33Å; V18-L22 WeakPolarHBondContact O-CB 3.42Å; V18-L22 VanDerWaalsContact O-CG 3.28Å; V18-L22 WeakPolarHBondContact O-CG 3.39Å; V18-L22 PolarHBondContact O-N 3.12Å; E20-L22 PolarHBondContact O-N 2.87Å; L22-N24 PolarHBondContact O-N 3.48Å
23K85.3Confident84Confident180 Ų18073.3 Ų73.378%0.78337%0.373SS*.THydrogen-bonded Turntrans-73.5-18.9173.7-67.5174.6-178.8-179.10112.5K19 E20 T21K19-K23 WeakPolarHBondContact O-CG 3.43Å; E20-K23 WeakPolarHBondContact O-CB 3.15Å; E20-K23 PolarHBondContact O-N 2.92Å; T21-K23 PolarHBondContact O-N 3.01Å
24N87.3Confident84.1Confident78 Ų7872.5 Ų72.542%0.41737%0.369SS..  trans-103.695.2176.5-175.7-20.5000109.2T21 L22 A26 L27 S28T21-N24 PolarHBondContact O-N 3.04Å; T21-N24 VanDerWaalsContact O-O 3.13Å; L22-N24 PolarHBondContact O-N 3.48Å; N24-A26 VanDerWaalsContact C-N 3.3Å; N24-A26 PolarHBondContact O-N 3.33Å; N24-A26 PolarHBondContact OD1-N 3.41Å; N24-L27 HydrophobicContact CB-CB 3.95Å; N24-L27 VanDerWaalsContact CG-CB 3.48Å; N24-L27 PolarHBondContact O-N 2.89Å; N24-L27 PolarHBondContact OD1-N 2.96Å; N24-L27 VanDerWaalsContact OD1-N 3.12Å; N24-S28 WeakPolarHBondContact O-CB 3.47Å; N24-S28 PolarHBondContact O-N 3.28Å
25E83.3Confident84Confident168 Ų16869.2 Ų69.279%0.78535%0.345SS*.Hα-helixtrans-59.1-38.7-175.9-66.4-174.9167.500112.9S28 S29E25-S28 PolarHBondContact O-N 3.13Å; E25-S29 WeakPolarHBondContact O-CB 3.13Å; E25-S29 PolarHBondContact O-N 2.99Å
26A83.1Confident84.3Confident74 Ų7466 Ų6661%0.61233%0.332SS*.Hα-helixtrans-65.6-47.1179.200000111.8N24 S29 A30N24-A26 VanDerWaalsContact C-N 3.3Å; N24-A26 PolarHBondContact O-N 3.33Å; N24-A26 PolarHBondContact OD1-N 3.41Å; A26-S29 PolarHBondContact O-N 3.27Å; A26-A30 WeakPolarHBondContact O-CB 3.45Å; A26-A30 PolarHBondContact O-N 3.31Å
27L85.7Confident84.4Confident21 Ų2160.9 Ų60.911%0.1131%0.308CS..Hα-helixtrans-64.4-43.6176.1177.557.1000111.5T21 N24 S29 A30 L31 A59T21-L27 HydrophobicContact CG2-CD2 3.94Å; T21-L27 HydrophobicContact CG2-CG 3.95Å; N24-L27 HydrophobicContact CB-CB 3.95Å; N24-L27 VanDerWaalsContact CG-CB 3.48Å; N24-L27 PolarHBondContact O-N 2.89Å; N24-L27 PolarHBondContact OD1-N 2.96Å; N24-L27 VanDerWaalsContact OD1-N 3.12Å; L27-S29 VanDerWaalsContact C-N 3.29Å; L27-S29 PolarHBondContact O-N 3.06Å; L27-A30 PolarHBondContact O-N 3.22Å; L27-L31 WeakPolarHBondContact O-CB 3.48Å; L27-L31 PolarHBondContact O-N 2.65Å; L27-A59 HydrophobicContact CD1-CB 3.87Å; L27-A59 WeakPolarHBondContact CD1-O 3.4Å
28S85.1Confident84.4Confident13 Ų1356.7 Ų56.79%0.09129%0.29CS..Hα-helixtrans-62.6-36.7178.2-1740000111.9F8 N24 E25 K32F8-S28 WeakPolarHBondContact CE2-OG 3.33Å; F8-S28 WeakPolarHBondContact CZ-O 3.36Å; N24-S28 WeakPolarHBondContact O-CB 3.47Å; N24-S28 PolarHBondContact O-N 3.28Å; E25-S28 PolarHBondContact O-N 3.13Å; S28-K32 VanDerWaalsContact O-CB 3.28Å; S28-K32 WeakPolarHBondContact O-CB 3.16Å; S28-K32 PolarHBondContact O-N 3.16Å; S28-K32 VanDerWaalsContact O-N 3.14Å
29S85.4Confident84.6Confident75 Ų7559 Ų5952%0.52430%0.3SS..Hα-helixtrans-69.4-49.9176.9-168.50000111.6E25 A26 L27 L31 K32 E33E25-S29 WeakPolarHBondContact O-CB 3.13Å; E25-S29 PolarHBondContact O-N 2.99Å; A26-S29 PolarHBondContact O-N 3.27Å; L27-S29 VanDerWaalsContact C-N 3.29Å; L27-S29 PolarHBondContact O-N 3.06Å; S29-L31 PolarHBondContact O-N 3.39Å; S29-K32 PolarHBondContact O-N 2.79Å; S29-E33 PolarHBondContact O-N 2.63Å
30A85.1Confident84.7Confident13 Ų1362 Ų6211%0.10731%0.308CS..Hα-helixtrans-61.3-42.2179.300000112.4A26 L27 E33 G34 A59 L68A26-A30 WeakPolarHBondContact O-CB 3.45Å; A26-A30 PolarHBondContact O-N 3.31Å; L27-A30 PolarHBondContact O-N 3.22Å; A30-E33 PolarHBondContact O-N 2.73Å; A30-G34 PolarHBondContact O-N 2.84Å; A30-A59 HydrophobicContact CB-CB 4.27Å; A30-L68 HydrophobicContact CB-CD1 3.73Å
31L85.9Confident84.5Confident1 Ų160.1 Ų60.11%0.00530%0.304CS..Hα-helixtrans-64.9-43.7177.2-178.958.5000111.7F8 I11 L13 T21 L27 S29 E33 G34 I35 L55 Y56 A59F8-L31 HydrophobicContact CD1-CD2 3.92Å; F8-L31 HydrophobicContact CD1-CG 4.25Å; F8-L31 HydrophobicContact CD2-CD2 4.33Å; F8-L31 HydrophobicContact CE1-CB 4.23Å; F8-L31 HydrophobicContact CE1-CD2 3.72Å; F8-L31 HydrophobicContact CE1-CG 3.76Å; F8-L31 HydrophobicContact CE2-CD2 4.14Å; F8-L31 HydrophobicContact CG-CD2 4.24Å; F8-L31 HydrophobicContact CZ-CB 4.2Å; F8-L31 HydrophobicContact CZ-CD2 3.84Å; F8-L31 HydrophobicContact CZ-CG 4.11Å; I11-L31 HydrophobicContact CD1-CD1 4.15Å; I11-L31 HydrophobicContact CD1-CD2 4.42Å; L13-L31 HydrophobicContact CD1-CD2 4.13Å; T21-L31 HydrophobicContact CG2-CD2 4.13Å; L27-L31 WeakPolarHBondContact O-CB 3.48Å; L27-L31 PolarHBondContact O-N 2.65Å; S29-L31 PolarHBondContact O-N 3.39Å; L31-E33 VanDerWaalsContact C-N 3.32Å; L31-E33 PolarHBondContact O-N 3.21Å; L31-G34 PolarHBondContact O-N 2.81Å; L31-I35 HydrophobicContact CD1-CD1 4.03Å; L31-I35 HydrophobicContact CD1-CG1 4.24Å; L31-I35 HydrophobicContact CG-CD1 3.87Å; L31-I35 WeakPolarHBondContact O-CD1 3.2Å; L31-I35 WeakPolarHBondContact O-CG1 3.35Å; L31-I35 PolarHBondContact O-N 2.84Å; L31-L55 HydrophobicContact CD1-CB 4.38Å; L31-Y56 HydrophobicContact CD2-CD2 3.71Å; L31-Y56 HydrophobicContact CD2-CE2 4.35Å; L31-A59 HydrophobicContact CB-CB 3.99Å; L31-A59 HydrophobicContact CD1-CB 4.23Å
32K86.7Confident84.2Confident88 Ų8862.9 Ų62.938%0.38332%0.318SS..Hα-helixtrans-60.1-44.4176.5-177.2-176.6177.4-174.90111.1L7 F8 S28 S29 I35 I36L7-K32 HydrophobicContact CD2-CG 4.01Å; F8-K32 HydrophobicContact CE1-CB 4.39Å; S28-K32 VanDerWaalsContact O-CB 3.28Å; S28-K32 WeakPolarHBondContact O-CB 3.16Å; S28-K32 PolarHBondContact O-N 3.16Å; S28-K32 VanDerWaalsContact O-N 3.14Å; S29-K32 PolarHBondContact O-N 2.79Å; K32-I35 PolarHBondContact O-N 2.93Å; K32-I36 HydrophobicContact CG-CD1 3.92Å; K32-I36 VanDerWaalsContact O-CG1 3.27Å; K32-I36 WeakPolarHBondContact O-CG1 3.26Å; K32-I36 PolarHBondContact O-N 2.93Å
33E85.1Confident83.7Confident103 Ų10362.3 Ų62.348%0.48132%0.324SS..Hα-helixtrans-63.3-45.1178.7-170.3170.9-171.800112S29 A30 L31 I35 I36 Q37 L68S29-E33 PolarHBondContact O-N 2.63Å; A30-E33 PolarHBondContact O-N 2.73Å; L31-E33 VanDerWaalsContact C-N 3.32Å; L31-E33 PolarHBondContact O-N 3.21Å; E33-I35 PolarHBondContact O-N 3.21Å; E33-I36 PolarHBondContact O-N 3.08Å; E33-Q37 WeakPolarHBondContact O-CB 3.33Å; E33-Q37 PolarHBondContact O-N 3.28Å; E33-L68 HydrophobicContact CB-CD2 4.18Å; E33-L68 HydrophobicContact CG-CD2 3.97Å
34G83.5Confident82.8Confident1 Ų157.5 Ų57.51%0.0132%0.318CS..Hα-helixtrans-62.8-39.2176.300000113.4A30 L31 Q37 A38 S72A30-G34 PolarHBondContact O-N 2.84Å; L31-G34 PolarHBondContact O-N 2.81Å; G34-Q37 PolarHBondContact O-N 2.8Å; G34-A38 WeakPolarHBondContact O-CB 3.47Å; G34-A38 PolarHBondContact O-N 2.96Å; G34-S72 WeakPolarHBondContact CA-OG 3.43Å
35I83.9Confident81.6Confident0 Ų061.6 Ų61.60%034%0.34CS..Hα-helixtrans-66.1-45.5175.9-65.2163.9000111.1L7 F8 I11 L31 K32 E33 Q37 A38 Q39 L55L7-I35 HydrophobicContact CD1-CG2 3.77Å; L7-I35 HydrophobicContact CD2-CD1 4.39Å; L7-I35 HydrophobicContact CD2-CG2 4.33Å; L7-I35 HydrophobicContact CG-CD1 4.21Å; L7-I35 HydrophobicContact CG-CG2 4.07Å; F8-I35 HydrophobicContact CD1-CD1 3.81Å; F8-I35 HydrophobicContact CE1-CD1 3.9Å; I11-I35 HydrophobicContact CD1-CD1 3.57Å; I11-I35 HydrophobicContact CD1-CG1 4.21Å; I11-I35 HydrophobicContact CG1-CD1 4.21Å; I11-I35 HydrophobicContact CG2-CD1 4.02Å; I11-I35 HydrophobicContact CG2-CG1 4.15Å; I11-I35 HydrophobicContact CG2-CG2 4.25Å; L31-I35 HydrophobicContact CD1-CD1 4.03Å; L31-I35 HydrophobicContact CD1-CG1 4.24Å; L31-I35 HydrophobicContact CG-CD1 3.87Å; L31-I35 WeakPolarHBondContact O-CD1 3.2Å; L31-I35 WeakPolarHBondContact O-CG1 3.35Å; L31-I35 PolarHBondContact O-N 2.84Å; K32-I35 PolarHBondContact O-N 2.93Å; E33-I35 PolarHBondContact O-N 3.21Å; I35-Q37 VanDerWaalsContact C-N 3.26Å; I35-Q37 PolarHBondContact O-N 3.18Å; I35-A38 PolarHBondContact O-N 3.36Å; I35-Q39 HydrophobicContact CG2-CG 4.25Å; I35-Q39 WeakPolarHBondContact O-CB 3.46Å; I35-Q39 VanDerWaalsContact O-CG 3.3Å; I35-Q39 WeakPolarHBondContact O-CG 3.42Å; I35-Q39 PolarHBondContact O-N 2.84Å; I35-L55 HydrophobicContact CG1-CD1 4.33Å
36I85.6Confident80.8Confident65 Ų6554.9 Ų54.933%0.33332%0.316SS..Hα-helixtrans-60.3-41.8178.3-71.6167.9000110.2K32 E33 Q39 R40K32-I36 HydrophobicContact CG-CD1 3.92Å; K32-I36 VanDerWaalsContact O-CG1 3.27Å; K32-I36 WeakPolarHBondContact O-CG1 3.26Å; K32-I36 PolarHBondContact O-N 2.93Å; E33-I36 PolarHBondContact O-N 3.08Å; I36-Q39 PolarHBondContact O-N 3.12Å; I36-R40 WeakPolarHBondContact O-CG 3.23Å; I36-R40 PolarHBondContact O-N 3.15Å
37Q84.1Confident80.6Confident32 Ų3252.2 Ų52.215%0.1529%0.292CS..Hα-helixtrans-65.1-44.6177.7-171.96214.200111.7E33 G34 I35 Q39 R40 V41 V69 D73E33-Q37 WeakPolarHBondContact O-CB 3.33Å; E33-Q37 PolarHBondContact O-N 3.28Å; G34-Q37 PolarHBondContact O-N 2.8Å; I35-Q37 VanDerWaalsContact C-N 3.26Å; I35-Q37 PolarHBondContact O-N 3.18Å; Q37-Q39 VanDerWaalsContact C-N 3.32Å; Q37-Q39 PolarHBondContact O-N 3.37Å; Q37-R40 WeakPolarHBondContact O-CB 3.32Å; Q37-R40 PolarHBondContact O-N 2.93Å; Q37-R40 VanDerWaalsContact O-N 3.16Å; Q37-V41 PolarHBondContact O-N 2.68Å; Q37-V69 HydrophobicContact CG-CG1 4.28Å; Q37-D73 VanDerWaalsContact CG-OD1 3.27Å; Q37-D73 WeakPolarHBondContact CG-OD1 3.49Å; Q37-D73 PolarHBondContact NE2-OD1 2.82Å
38A83.3Confident80.4Confident0 Ų054 Ų540%030%0.302CS..Hα-helixtrans-62.9-37.5175.200000112.9G34 I35 R40 V41 N42 V47 M51 L55 A76G34-A38 WeakPolarHBondContact O-CB 3.47Å; G34-A38 PolarHBondContact O-N 2.96Å; I35-A38 PolarHBondContact O-N 3.36Å; A38-R40 VanDerWaalsContact C-N 3.33Å; A38-R40 PolarHBondContact O-N 2.53Å; A38-V41 PolarHBondContact O-N 2.97Å; A38-N42 PolarHBondContact O-N 2.94Å; A38-V47 HydrophobicContact CB-CG2 4.06Å; A38-M51 HydrophobicContact CB-SD 4.43Å; A38-L55 HydrophobicContact CB-CD1 3.83Å; A38-A76 HydrophobicContact CB-CB 4.03Å
39Q84.6Confident80.3Confident48 Ų4860.7 Ų60.722%0.22433%0.329CS..Hα-helixtrans-67.7-29.5174.9-75.2177.2-24.200113I35 I36 Q37 V41 G43 V47I35-Q39 HydrophobicContact CG2-CG 4.25Å; I35-Q39 WeakPolarHBondContact O-CB 3.46Å; I35-Q39 VanDerWaalsContact O-CG 3.3Å; I35-Q39 WeakPolarHBondContact O-CG 3.42Å; I35-Q39 PolarHBondContact O-N 2.84Å; I36-Q39 PolarHBondContact O-N 3.12Å; Q37-Q39 VanDerWaalsContact C-N 3.32Å; Q37-Q39 PolarHBondContact O-N 3.37Å; Q39-V41 VanDerWaalsContact C-N 3.31Å; Q39-G43 CarbonylContact O-C 3.58Å; Q39-G43 WeakPolarHBondContact O-CA 3.37Å; Q39-G43 PolarHBondContact O-N 2.78Å; Q39-V47 HydrophobicContact CG-CG2 3.74Å
40R84.1Confident80.1Confident188 Ų18860.2 Ų60.271%0.70933%0.329SS*.Hα-helixtrans-65.4-36.5173.3-77.1174.7177.9174.6-2.7112I36 Q37 A38I36-R40 WeakPolarHBondContact O-CG 3.23Å; I36-R40 PolarHBondContact O-N 3.15Å; Q37-R40 WeakPolarHBondContact O-CB 3.32Å; Q37-R40 PolarHBondContact O-N 2.93Å; Q37-R40 VanDerWaalsContact O-N 3.16Å; A38-R40 VanDerWaalsContact C-N 3.33Å; A38-R40 PolarHBondContact O-N 2.53Å
41V79.8Confident80.1Confident64 Ų6460 Ų6039%0.38833%0.326SS..Hα-helixtrans-80-43.5-178.7-179.50000111.5Q37 A38 Q39 A76 Q77Q37-V41 PolarHBondContact O-N 2.68Å; A38-V41 PolarHBondContact O-N 2.97Å; Q39-V41 VanDerWaalsContact C-N 3.31Å; V41-A76 HydrophobicContact CB-CB 3.92Å; V41-A76 HydrophobicContact CG1-CB 4.11Å; V41-A76 HydrophobicContact CG2-CB 4.21Å; V41-Q77 HydrophobicContact CG1-CG 4.4Å
42N77.8Confident80Confident60 Ų6059.9 Ų59.932%0.32133%0.326SS..Hα-helixtrans-105.9-2.9-171.7-66.3-27000114.9A38 G46 M51 A76A38-N42 PolarHBondContact O-N 2.94Å; N42-G46 WeakPolarHBondContact O-CA 3.41Å; N42-M51 WeakPolarHBondContact ND2-CE 3.15Å; N42-A76 PolarHBondContact ND2-O 2.97Å; N42-A76 PolarHBondContact OD1-O 2.88Å
43G74.3Confident80Confident36 Ų3659 Ų5937%0.37133%0.328SS..  trans79.5166.4-171.100000113.5Q39 N45 G46Q39-G43 CarbonylContact O-C 3.58Å; Q39-G43 WeakPolarHBondContact O-CA 3.37Å; Q39-G43 PolarHBondContact O-N 2.78Å; G43-N45 VanDerWaalsContact C-N 3.26Å; G43-N45 PolarHBondContact O-N 2.86Å; G43-G46 PolarHBondContact O-N 2.89Å
44A64.8Low80.1Confident79 Ų7954.7 Ų54.765%0.65331%0.308SS*.THydrogen-bonded Turntrans-60.5-29.2-172.800000114.6
45N63.4Low80.3Confident164 Ų16454.6 Ų54.688%0.87731%0.307SS*.THydrogen-bonded Turntrans-991.5178.2-69.1-10.8000113.5G43G43-N45 VanDerWaalsContact C-N 3.26Å; G43-N45 PolarHBondContact O-N 2.86Å
46G64.8Low80.6Confident27 Ų2756.3 Ų56.328%0.27831%0.314SS..  trans-88.4-2.9-173.600000115.3N42 G43N42-G46 WeakPolarHBondContact O-CA 3.41Å; G43-G46 PolarHBondContact O-N 2.89Å
47V79.3Confident80.7Confident19 Ų1954 Ų5412%0.11530%0.303CS..  trans-94103.8177-175.80000109.1I11 A38 Q39 M51 L55I11-V47 HydrophobicContact CG2-CG1 4Å; A38-V47 HydrophobicContact CB-CG2 4.06Å; Q39-V47 HydrophobicContact CG-CG2 3.74Å; V47-M51 HydrophobicContact CB-SD 4.43Å; V47-M51 HydrophobicContact CG1-CB 4.31Å; V47-M51 HydrophobicContact CG1-CG 4.26Å; V47-M51 HydrophobicContact CG1-SD 4.13Å; V47-M51 HydrophobicContact CG2-SD 4.3Å; V47-L55 HydrophobicContact CG1-CD1 4.3Å
48D81Confident80.9Confident58 Ų5852.5 Ų52.531%0.3130%0.296SS..  trans-80168.9175.567.636.8000112.3A50 M51 G52 R78D48-A50 PolarHBondContact O-N 3.21Å; D48-A50 WeakPolarHBondContact OD1-CB 3.19Å; D48-A50 PolarHBondContact OD1-N 2.86Å; D48-M51 PolarHBondContact O-N 2.83Å; D48-M51 WeakPolarHBondContact OD1-CB 3.39Å; D48-M51 PolarHBondContact OD1-N 3.41Å; D48-G52 PolarHBondContact O-N 2.75Å; D48-R78 IonicContact OD2-CZ 2.71Å; D48-R78 IonicContact OD2-NH1 2.83Å; D48-R78 IonicContact OD2-NH2 2.81Å; D48-R78 PolarHBondContact OD2-NH2 3.34Å
49K83.3Confident81.1Confident154 Ų15453 Ų5367%0.6730%0.3SS*.Hα-helixtrans-63-28.6-178.6-64.8-177.9179.9178.10113.2T53K49-T53 PolarHBondContact O-N 3.5Å; K49-T53 VanDerWaalsContact O-N 3.08Å; K49-T53 PolarHBondContact O-OG1 3.13Å
50A81.4Confident81.2Confident64 Ų6453.7 Ų53.753%0.52931%0.311SS..Hα-helixtrans-72.5-47.6179.400000110.3D48 G52 T53 L54D48-A50 PolarHBondContact O-N 3.21Å; D48-A50 WeakPolarHBondContact OD1-CB 3.19Å; D48-A50 PolarHBondContact OD1-N 2.86Å; A50-G52 VanDerWaalsContact C-N 3.29Å; A50-G52 PolarHBondContact O-N 2.94Å; A50-T53 WeakPolarHBondContact O-CB 3.35Å; A50-T53 PolarHBondContact O-N 3.32Å; A50-T53 VanDerWaalsContact O-N 3.15Å; A50-L54 PolarHBondContact O-N 3.38Å; A50-L54 VanDerWaalsContact O-N 3.13Å
51M84.8Confident81.4Confident8 Ų850 Ų504%0.03930%0.297CS..Hα-helixtrans-58-42.9172.2-170.1179.2-6700111.3A38 N42 V47 D48 T53 L54 L55 I75 R78A38-M51 HydrophobicContact CB-SD 4.43Å; N42-M51 WeakPolarHBondContact ND2-CE 3.15Å; V47-M51 HydrophobicContact CB-SD 4.43Å; V47-M51 HydrophobicContact CG1-CB 4.31Å; V47-M51 HydrophobicContact CG1-CG 4.26Å; V47-M51 HydrophobicContact CG1-SD 4.13Å; V47-M51 HydrophobicContact CG2-SD 4.3Å; D48-M51 PolarHBondContact O-N 2.83Å; D48-M51 WeakPolarHBondContact OD1-CB 3.39Å; D48-M51 PolarHBondContact OD1-N 3.41Å; M51-T53 VanDerWaalsContact C-N 3.32Å; M51-T53 PolarHBondContact O-N 3.46Å; M51-L54 PolarHBondContact O-N 2.93Å; M51-L55 HydrophobicContact CG-CD1 4.25Å; M51-L55 WeakPolarHBondContact O-CG 3.25Å; M51-L55 PolarHBondContact O-N 2.86Å; M51-I75 HydrophobicContact CG-CG2 3.68Å; M51-R78 HydrophobicContact CE-CG 4.31Å
52G85.2Confident81.6Confident0 Ų047.9 Ų47.90%028%0.283CS..Hα-helixtrans-56.5-42.4174.200000114.2D48 A50 L55 Y56D48-G52 PolarHBondContact O-N 2.75Å; A50-G52 VanDerWaalsContact C-N 3.29Å; A50-G52 PolarHBondContact O-N 2.94Å; G52-L55 PolarHBondContact O-N 3.01Å; G52-Y56 WeakPolarHBondContact O-CB 3.25Å; G52-Y56 PolarHBondContact O-N 2.89Å
53T86.6Confident81.6Confident69 Ų6954.8 Ų54.842%0.42331%0.31SS..Hα-helixtrans-65.6-41177.1-55.70000111.4K49 A50 M51 Y56 S57K49-T53 PolarHBondContact O-N 3.5Å; K49-T53 VanDerWaalsContact O-N 3.08Å; K49-T53 PolarHBondContact O-OG1 3.13Å; A50-T53 WeakPolarHBondContact O-CB 3.35Å; A50-T53 PolarHBondContact O-N 3.32Å; A50-T53 VanDerWaalsContact O-N 3.15Å; M51-T53 VanDerWaalsContact C-N 3.32Å; M51-T53 PolarHBondContact O-N 3.46Å; T53-Y56 WeakPolarHBondContact O-CB 3.5Å; T53-Y56 PolarHBondContact O-N 3.25Å; T53-S57 WeakPolarHBondContact O-CB 3.37Å; T53-S57 PolarHBondContact O-N 3.36Å
54L87.3Confident81.8Confident12 Ų1255.8 Ų55.86%0.06331%0.307CS..Hα-helixtrans-66.9-42.7176.4-66.4172.4000112.3A50 M51 Y56 S57 M58 I75 E83 L86A50-L54 PolarHBondContact O-N 3.38Å; A50-L54 VanDerWaalsContact O-N 3.13Å; M51-L54 PolarHBondContact O-N 2.93Å; L54-Y56 VanDerWaalsContact C-N 3.28Å; L54-Y56 PolarHBondContact O-N 3.41Å; L54-S57 PolarHBondContact O-N 3.47Å; L54-M58 VanDerWaalsContact O-CB 3.31Å; L54-M58 WeakPolarHBondContact O-CB 3.4Å; L54-M58 PolarHBondContact O-N 2.96Å; L54-I75 HydrophobicContact CB-CD1 4.38Å; L54-I75 HydrophobicContact CB-CG2 4.24Å; L54-E83 HydrophobicContact CD2-CG 4.16Å; L54-L86 HydrophobicContact CB-CD2 4.44Å; L54-L86 HydrophobicContact CD2-CB 4.46Å; L54-L86 HydrophobicContact CD2-CD2 4.15Å; L54-L86 WeakPolarHBondContact O-CD2 3.46Å
55L87.9Confident82.2Confident0 Ų057.6 Ų57.60%031%0.306CS..Hα-helixtrans-61.5-39175.4-70.3170.8000111.3L31 I35 A38 V47 M51 G52 M58 A59 I75L31-L55 HydrophobicContact CD1-CB 4.38Å; I35-L55 HydrophobicContact CG1-CD1 4.33Å; A38-L55 HydrophobicContact CB-CD1 3.83Å; V47-L55 HydrophobicContact CG1-CD1 4.3Å; M51-L55 HydrophobicContact CG-CD1 4.25Å; M51-L55 WeakPolarHBondContact O-CG 3.25Å; M51-L55 PolarHBondContact O-N 2.86Å; G52-L55 PolarHBondContact O-N 3.01Å; L55-M58 HydrophobicContact CD2-CE 4.04Å; L55-A59 VanDerWaalsContact O-CB 3.32Å; L55-A59 WeakPolarHBondContact O-CB 3.27Å; L55-A59 PolarHBondContact O-N 2.94Å; L55-I75 HydrophobicContact CD2-CB 4.3Å; L55-I75 HydrophobicContact CD2-CD1 4.06Å; L55-I75 HydrophobicContact CD2-CG2 4.02Å; L55-I75 HydrophobicContact CG-CG2 4.1Å
56Y88.9Confident83Confident36 Ų3657.9 Ų57.914%0.14130%0.299CS..Hα-helixtrans-63.7-49.3172.6-178.7-94.6000112.4L13 K17 T21 L31 G52 T53 L54 M58 A59 S60L13-Y56 HydrophobicContact CD1-CD2 3.62Å; L13-Y56 HydrophobicContact CD1-CE2 4.02Å; L13-Y56 HydrophobicContact CD1-CG 4.34Å; L13-Y56 HydrophobicContact CD2-CD1 4.29Å; L13-Y56 HydrophobicContact CD2-CD2 3.89Å; L13-Y56 HydrophobicContact CD2-CE2 4.27Å; L13-Y56 HydrophobicContact CD2-CG 3.89Å; L13-Y56 HydrophobicContact CG-CD2 4.4Å; K17-Y56 WeakPolarHBondContact CE-OH 3.44Å; T21-Y56 HydrophobicContact CG2-CE2 3.93Å; T21-Y56 WeakPolarHBondContact OG1-CE2 3.4Å; T21-Y56 PolarHBondContact OG1-OH 2.96Å; L31-Y56 HydrophobicContact CD2-CD2 3.71Å; L31-Y56 HydrophobicContact CD2-CE2 4.35Å; G52-Y56 WeakPolarHBondContact O-CB 3.25Å; G52-Y56 PolarHBondContact O-N 2.89Å; T53-Y56 WeakPolarHBondContact O-CB 3.5Å; T53-Y56 PolarHBondContact O-N 3.25Å; L54-Y56 VanDerWaalsContact C-N 3.28Å; L54-Y56 PolarHBondContact O-N 3.41Å; Y56-M58 VanDerWaalsContact C-N 3.3Å; Y56-M58 PolarHBondContact O-N 2.83Å; Y56-A59 PolarHBondContact O-N 3.35Å; Y56-S60 WeakPolarHBondContact O-CB 3.26Å; Y56-S60 PolarHBondContact O-N 3.13Å; Y56-S60 PolarHBondContact O-OG 3.42Å
57S87.6Confident83.8Confident15 Ų1557.7 Ų57.711%0.10529%0.29CS..Hα-helixtrans-58.3-44177.7-175.40000110.9T53 L54 S60 R61 E83T53-S57 WeakPolarHBondContact O-CB 3.37Å; T53-S57 PolarHBondContact O-N 3.36Å; L54-S57 PolarHBondContact O-N 3.47Å; S57-S60 PolarHBondContact O-N 3.45Å; S57-S60 PolarHBondContact O-OG 2.92Å; S57-R61 WeakPolarHBondContact O-CB 3.34Å; S57-R61 WeakPolarHBondContact O-CG 3.27Å; S57-R61 PolarHBondContact O-N 3.29Å; S57-E83 VanDerWaalsContact CB-OE1 3.22Å; S57-E83 WeakPolarHBondContact CB-OE1 3.43Å; S57-E83 WeakPolarHBondContact CB-OE2 3.41Å; S57-E83 PolarHBondContact OG-OE1 2.81Å; S57-E83 PolarHBondContact OG-OE2 2.99Å
58M89.5Confident84Confident1 Ų156.9 Ų56.91%0.00529%0.285CS..Hα-helixtrans-60.3-55.6175.5180-166.17200111.2L54 L55 Y56 S60 R61 L62 L68 L71 S72 I75 L86L54-M58 VanDerWaalsContact O-CB 3.31Å; L54-M58 WeakPolarHBondContact O-CB 3.4Å; L54-M58 PolarHBondContact O-N 2.96Å; L55-M58 HydrophobicContact CD2-CE 4.04Å; Y56-M58 VanDerWaalsContact C-N 3.3Å; Y56-M58 PolarHBondContact O-N 2.83Å; M58-S60 PolarHBondContact O-N 3.05Å; M58-R61 PolarHBondContact O-N 3.31Å; M58-R61 VanDerWaalsContact O-N 3.08Å; M58-L62 HydrophobicContact CG-CD2 4.44Å; M58-L62 WeakPolarHBondContact O-CB 3.23Å; M58-L62 PolarHBondContact O-N 3Å; M58-L68 HydrophobicContact CE-CG 4.46Å; M58-L71 HydrophobicContact CG-CB 4.36Å; M58-L71 HydrophobicContact CG-CD1 4.36Å; M58-L71 HydrophobicContact SD-CB 3.47Å; M58-L71 WeakPolarHBondContact SD-CB 3.26Å; M58-L71 HydrophobicContact SD-CD1 4.47Å; M58-S72 VanDerWaalsContact CE-OG 3.29Å; M58-S72 WeakPolarHBondContact CE-OG 3.31Å; M58-I75 HydrophobicContact CB-CD1 4.22Å; M58-I75 HydrophobicContact CG-CD1 4.48Å; M58-I75 HydrophobicContact SD-CD1 3.72Å; M58-L86 HydrophobicContact CB-CD1 3.96Å; M58-L86 HydrophobicContact CB-CD2 4.21Å; M58-L86 HydrophobicContact CG-CD1 4.29Å
59A87.3Confident84.2Confident10 Ų1056.9 Ų56.98%0.08329%0.287CS..Hα-helixtrans-60.5-30.5-177.800000112.7L27 A30 L31 L55 Y56L27-A59 HydrophobicContact CD1-CB 3.87Å; L27-A59 WeakPolarHBondContact CD1-O 3.4Å; A30-A59 HydrophobicContact CB-CB 4.27Å; L31-A59 HydrophobicContact CB-CB 3.99Å; L31-A59 HydrophobicContact CD1-CB 4.23Å; L55-A59 VanDerWaalsContact O-CB 3.32Å; L55-A59 WeakPolarHBondContact O-CB 3.27Å; L55-A59 PolarHBondContact O-N 2.94Å; Y56-A59 PolarHBondContact O-N 3.35Å
60S86.7Confident84.3Confident63 Ų6351.9 Ų51.944%0.44127%0.265SS..Hα-helixtrans-77.2-22.9177.971.30000114.7Y56 S57 M58Y56-S60 WeakPolarHBondContact O-CB 3.26Å; Y56-S60 PolarHBondContact O-N 3.13Å; Y56-S60 PolarHBondContact O-OG 3.42Å; S57-S60 PolarHBondContact O-N 3.45Å; S57-S60 PolarHBondContact O-OG 2.92Å; M58-S60 PolarHBondContact O-N 3.05Å
61R86.9Confident84.5Confident110 Ų11048.8 Ų48.842%0.41524%0.24SC..Hα-helixtrans-112.7-24.1-172.5-66.3169.464.5-170.6-1.5113.5S57 M58 K63 L90S57-R61 WeakPolarHBondContact O-CB 3.34Å; S57-R61 WeakPolarHBondContact O-CG 3.27Å; S57-R61 PolarHBondContact O-N 3.29Å; M58-R61 PolarHBondContact O-N 3.31Å; M58-R61 VanDerWaalsContact O-N 3.08Å; R61-K63 PolarHBondContact O-N 3.46Å; R61-L90 HydrophobicContact CB-CD1 3.71Å
62L85Confident84.5Confident21 Ų2148.4 Ų48.411%0.1124%0.238CC..  trans-73.6119.5-178.2-174.566.3000110.2M58 D64 L68 L71 L90M58-L62 HydrophobicContact CG-CD2 4.44Å; M58-L62 WeakPolarHBondContact O-CB 3.23Å; M58-L62 PolarHBondContact O-N 3Å; L62-D64 WeakPolarHBondContact CD2-O 3.33Å; L62-D64 WeakPolarHBondContact CG-O 3.42Å; L62-L68 HydrophobicContact CD2-CB 3.85Å; L62-L68 HydrophobicContact CD2-CG 4.33Å; L62-L71 HydrophobicContact CD1-CD1 3.91Å; L62-L71 HydrophobicContact CD2-CD1 4.32Å; L62-L90 HydrophobicContact CB-CD2 4.03Å; L62-L90 HydrophobicContact CD1-CD2 3.82Å
63K78.7Confident84.6Confident204 Ų20450.4 Ų50.489%0.88725%0.249SC*.  trans-94.6-20.6175.9-65.2-174.9178-174.90113.1R61R61-K63 PolarHBondContact O-N 3.46Å
64D76.8Confident84.5Confident57 Ų5747.3 Ų47.331%0.30523%0.23SC..  trans-98.7100.8-179.7-174.61.5000110.8L62 K66 R67L62-D64 WeakPolarHBondContact CD2-O 3.33Å; L62-D64 WeakPolarHBondContact CG-O 3.42Å; D64-K66 PolarHBondContact O-N 3.27Å; D64-K66 WeakPolarHBondContact OD1-CB 3.47Å; D64-K66 PolarHBondContact OD1-N 3.35Å; D64-R67 HydrophobicContact CB-CG 4.38Å; D64-R67 PolarHBondContact O-N 3.26Å; D64-R67 VanDerWaalsContact OD2-CG 3.26Å; D64-R67 WeakPolarHBondContact OD2-CG 3.44Å
65N74.8Confident84.5Confident117 Ų11746.8 Ų46.863%0.62623%0.227SC*.G310 helixtrans-66.9-18.9-179.8-71.2-10.2000113.1R67 L68N65-R67 PolarHBondContact O-N 3.17Å; N65-L68 WeakPolarHBondContact O-CB 3.45Å; N65-L68 PolarHBondContact O-N 2.89Å
66K78.9Confident84.5Confident171 Ų17146.8 Ų46.874%0.74323%0.228SC*.G310 helixtrans-67.5-26.8177.4-63.1-179.9178.5-179.70112.1D64D64-K66 PolarHBondContact O-N 3.27Å; D64-K66 WeakPolarHBondContact OD1-CB 3.47Å; D64-K66 PolarHBondContact OD1-N 3.35Å
67R81.3Confident84.3Confident22 Ų2250.1 Ų50.18%0.08324%0.244CC..G310 helixtrans-96.4-1.5-175.3-59.5-71.7-168.4-160.3-0113.1D64 N65 V69 F70 L71 V93 E98 D99D64-R67 HydrophobicContact CB-CG 4.38Å; D64-R67 PolarHBondContact O-N 3.26Å; D64-R67 VanDerWaalsContact OD2-CG 3.26Å; D64-R67 WeakPolarHBondContact OD2-CG 3.44Å; N65-R67 PolarHBondContact O-N 3.17Å; R67-V69 PolarHBondContact O-N 3.33Å; R67-F70 PolarHBondContact O-N 3.05Å; R67-L71 PolarHBondContact O-N 3.39Å; R67-V93 HydrophobicContact CB-CG1 3.86Å; R67-V93 HydrophobicContact CG-CG1 3.65Å; R67-E98 PolarHBondContact NH2-O 2.98Å; R67-E98 VanDerWaalsContact NH2-O 3.08Å; R67-D99 IonicContact CZ-OD1 3.03Å; R67-D99 IonicContact NH1-OD1 2.65Å; R67-D99 PolarHBondContact NH1-OD1 2.91Å; R67-D99 IonicContact NH2-OD1 2.73Å; R67-D99 PolarHBondContact NH2-OD1 2.83Å; R67-D99 IonicContact NH2-OD2 3.79Å
68L83.9Confident84.1Confident2 Ų256.6 Ų56.61%0.0127%0.267CS..Hα-helixtrans-60.8-46.5-179-172.7153.6000111.3A30 E33 M58 L62 N65 S72A30-L68 HydrophobicContact CB-CD1 3.73Å; E33-L68 HydrophobicContact CB-CD2 4.18Å; E33-L68 HydrophobicContact CG-CD2 3.97Å; M58-L68 HydrophobicContact CE-CG 4.46Å; L62-L68 HydrophobicContact CD2-CB 3.85Å; L62-L68 HydrophobicContact CD2-CG 4.33Å; N65-L68 WeakPolarHBondContact O-CB 3.45Å; N65-L68 PolarHBondContact O-N 2.89Å; L68-S72 VanDerWaalsContact O-CB 3.24Å; L68-S72 WeakPolarHBondContact O-CB 3.31Å; L68-S72 PolarHBondContact O-N 2.97Å; L68-S72 PolarHBondContact O-OG 2.86Å
69V84.8Confident83.9Confident58 Ų5859.5 Ų59.535%0.35228%0.279SS..Hα-helixtrans-62.3-46.6179.4-179.30000110.7Q37 R67 L71 S72 D73Q37-V69 HydrophobicContact CG-CG1 4.28Å; R67-V69 PolarHBondContact O-N 3.33Å; V69-L71 PolarHBondContact O-N 2.96Å; V69-S72 PolarHBondContact O-N 2.91Å; V69-D73 PolarHBondContact O-N 2.74Å
70F85.6Confident83.8Confident49 Ų4959 Ų5922%0.21528%0.275CS..Hα-helixtrans-60.1-48.5-179.9175.9-104.5000113.1R67 D73 C74 F106R67-F70 PolarHBondContact O-N 3.05Å; F70-D73 PolarHBondContact O-N 2.84Å; F70-C74 PolarHBondContact O-N 3.06Å; F70-C74 VanDerWaalsContact O-N 3.08Å; F70-C74 PolarHBondContact O-SG 2.75Å; F70-F106 HydrophobicContact CE1-CD1 4.1Å; F70-F106 HydrophobicContact CE1-CD2 4.01Å; F70-F106 AromaticContact CE1-CE1 3.86Å; F70-F106 HydrophobicContact CE1-CE1 3.86Å; F70-F106 AromaticContact CE1-CE2 3.78Å; F70-F106 HydrophobicContact CE1-CE2 3.78Å; F70-F106 HydrophobicContact CE1-CG 4.16Å; F70-F106 AromaticContact CE1-CZ 3.69Å; F70-F106 HydrophobicContact CE1-CZ 3.69Å; F70-F106 AromaticContact CZ-CD1 3.9Å; F70-F106 HydrophobicContact CZ-CD1 3.9Å; F70-F106 HydrophobicContact CZ-CD2 4.46Å; F70-F106 AromaticContact CZ-CE1 3.97Å; F70-F106 HydrophobicContact CZ-CE1 3.97Å; F70-F106 HydrophobicContact CZ-CG 4.15Å; F70-F106 HydrophobicContact CZ-CZ 4.28Å
71L86.4Confident83.7Confident0 Ų059.3 Ų59.30%028%0.277CS..Hα-helixtrans-69.9-35.3178.2-69.9178000112.1M58 L62 R67 V69 D73 C74 I75 I80 A89 L90 V93 F106M58-L71 HydrophobicContact CG-CB 4.36Å; M58-L71 HydrophobicContact CG-CD1 4.36Å; M58-L71 HydrophobicContact SD-CB 3.47Å; M58-L71 WeakPolarHBondContact SD-CB 3.26Å; M58-L71 HydrophobicContact SD-CD1 4.47Å; L62-L71 HydrophobicContact CD1-CD1 3.91Å; L62-L71 HydrophobicContact CD2-CD1 4.32Å; R67-L71 PolarHBondContact O-N 3.39Å; V69-L71 PolarHBondContact O-N 2.96Å; L71-D73 VanDerWaalsContact C-N 3.33Å; L71-D73 PolarHBondContact O-N 3.38Å; L71-C74 PolarHBondContact O-N 3.37Å; L71-I75 VanDerWaalsContact O-CG1 3.31Å; L71-I75 WeakPolarHBondContact O-CG1 3.32Å; L71-I75 PolarHBondContact O-N 2.77Å; L71-I80 HydrophobicContact CD2-CD1 4.34Å; L71-A89 HydrophobicContact CD2-CB 3.94Å; L71-L90 HydrophobicContact CD1-CD2 4.1Å; L71-V93 HydrophobicContact CD1-CG2 4.34Å; L71-V93 HydrophobicContact CD2-CG2 4.31Å; L71-F106 HydrophobicContact CD2-CE2 4.03Å; L71-F106 HydrophobicContact CD2-CZ 3.75Å
72S85.4Confident83.6Confident0 Ų055.2 Ų55.20%026%0.264CS..Hα-helixtrans-62-41.5174.6-58.40000111.3G34 M58 L68 V69 I75 A76G34-S72 WeakPolarHBondContact CA-OG 3.43Å; M58-S72 VanDerWaalsContact CE-OG 3.29Å; M58-S72 WeakPolarHBondContact CE-OG 3.31Å; L68-S72 VanDerWaalsContact O-CB 3.24Å; L68-S72 WeakPolarHBondContact O-CB 3.31Å; L68-S72 PolarHBondContact O-N 2.97Å; L68-S72 PolarHBondContact O-OG 2.86Å; V69-S72 PolarHBondContact O-N 2.91Å; S72-I75 PolarHBondContact O-N 2.92Å; S72-A76 VanDerWaalsContact O-CB 3.28Å; S72-A76 WeakPolarHBondContact O-CB 3.39Å; S72-A76 PolarHBondContact O-N 2.88Å
73D86.1Confident83.5Confident41 Ų4157.9 Ų57.922%0.21928%0.276CS..Hα-helixtrans-65.9-40.4175.7-73.7-19.5000111.7Q37 V69 F70 L71 I75 A76 Q77Q37-D73 VanDerWaalsContact CG-OD1 3.27Å; Q37-D73 WeakPolarHBondContact CG-OD1 3.49Å; Q37-D73 PolarHBondContact NE2-OD1 2.82Å; V69-D73 PolarHBondContact O-N 2.74Å; F70-D73 PolarHBondContact O-N 2.84Å; L71-D73 VanDerWaalsContact C-N 3.33Å; L71-D73 PolarHBondContact O-N 3.38Å; D73-I75 PolarHBondContact O-N 2.99Å; D73-A76 PolarHBondContact O-N 3Å; D73-Q77 WeakPolarHBondContact O-CB 3.36Å; D73-Q77 VanDerWaalsContact O-CG 3.27Å; D73-Q77 WeakPolarHBondContact O-CG 3.46Å; D73-Q77 PolarHBondContact O-N 3.05Å
74C85.3Confident83.8Confident4 Ų452.1 Ų52.13%0.02725%0.254CS..Hα-helixtrans-63.6-39.7176.2-68.10000112.5F70 L71 R78 K79 I80F70-C74 PolarHBondContact O-N 3.06Å; F70-C74 VanDerWaalsContact O-N 3.08Å; F70-C74 PolarHBondContact O-SG 2.75Å; L71-C74 PolarHBondContact O-N 3.37Å; C74-R78 PolarHBondContact O-N 3.2Å; C74-K79 HydrophobicContact CB-CB 4.45Å; C74-K79 WeakPolarHBondContact O-CB 3.19Å; C74-K79 PolarHBondContact O-N 3.36Å; C74-I80 HydrophobicContact CB-CD1 4.02Å; C74-I80 HydrophobicContact CB-CG1 4.37Å; C74-I80 PolarHBondContact O-N 3.45Å
75I87.3Confident84.3Confident1 Ų150 Ų501%0.00524%0.243CC..Hα-helixtrans-68.4-43.3174.6-67.6166.9000110.2M51 L54 L55 M58 L71 S72 D73 Q77 R78 I80 L86M51-I75 HydrophobicContact CG-CG2 3.68Å; L54-I75 HydrophobicContact CB-CD1 4.38Å; L54-I75 HydrophobicContact CB-CG2 4.24Å; L55-I75 HydrophobicContact CD2-CB 4.3Å; L55-I75 HydrophobicContact CD2-CD1 4.06Å; L55-I75 HydrophobicContact CD2-CG2 4.02Å; L55-I75 HydrophobicContact CG-CG2 4.1Å; M58-I75 HydrophobicContact CB-CD1 4.22Å; M58-I75 HydrophobicContact CG-CD1 4.48Å; M58-I75 HydrophobicContact SD-CD1 3.72Å; L71-I75 VanDerWaalsContact O-CG1 3.31Å; L71-I75 WeakPolarHBondContact O-CG1 3.32Å; L71-I75 PolarHBondContact O-N 2.77Å; S72-I75 PolarHBondContact O-N 2.92Å; D73-I75 PolarHBondContact O-N 2.99Å; I75-Q77 VanDerWaalsContact C-N 3.34Å; I75-Q77 PolarHBondContact O-N 3.1Å; I75-R78 PolarHBondContact O-N 3.14Å; I75-I80 HydrophobicContact CG1-CB 4.14Å; I75-I80 HydrophobicContact CG1-CG2 4.28Å; I75-L86 HydrophobicContact CD1-CD1 4.24Å
76A86.4Confident84.9Confident1 Ų144.5 Ų44.51%0.00821%0.213CC..Hα-helixtrans-62.5-40.8179.300000112.1A38 V41 N42 S72 D73 R78A38-A76 HydrophobicContact CB-CB 4.03Å; V41-A76 HydrophobicContact CB-CB 3.92Å; V41-A76 HydrophobicContact CG1-CB 4.11Å; V41-A76 HydrophobicContact CG2-CB 4.21Å; N42-A76 PolarHBondContact ND2-O 2.97Å; N42-A76 PolarHBondContact OD1-O 2.88Å; S72-A76 VanDerWaalsContact O-CB 3.28Å; S72-A76 WeakPolarHBondContact O-CB 3.39Å; S72-A76 PolarHBondContact O-N 2.88Å; D73-A76 PolarHBondContact O-N 3Å; A76-R78 PolarHBondContact O-N 3.11Å
77Q85Confident85.3Confident106 Ų10637.5 Ų37.550%0.49519%0.187SC..THydrogen-bonded Turntrans-74.73175.6-68.4175.29.100114V41 D73 I75 K79V41-Q77 HydrophobicContact CG1-CG 4.4Å; D73-Q77 WeakPolarHBondContact O-CB 3.36Å; D73-Q77 VanDerWaalsContact O-CG 3.27Å; D73-Q77 WeakPolarHBondContact O-CG 3.46Å; D73-Q77 PolarHBondContact O-N 3.05Å; I75-Q77 VanDerWaalsContact C-N 3.34Å; I75-Q77 PolarHBondContact O-N 3.1Å; Q77-K79 HydrophobicContact CB-CG 4.26Å; Q77-K79 PolarHBondContact O-N 3.46Å; Q77-K79 VanDerWaalsContact OE1-CE 3.31Å
78R84.4Confident85.6Confident151 Ų15137.4 Ų37.457%0.5719%0.191SC*.THydrogen-bonded Turntrans56.830.1-175.7-61.7-173.6177.4-113.1-7.8113.9D48 M51 C74 I75 A76 C81D48-R78 IonicContact OD2-CZ 2.71Å; D48-R78 IonicContact OD2-NH1 2.83Å; D48-R78 IonicContact OD2-NH2 2.81Å; D48-R78 PolarHBondContact OD2-NH2 3.34Å; M51-R78 HydrophobicContact CE-CG 4.31Å; C74-R78 PolarHBondContact O-N 3.2Å; I75-R78 PolarHBondContact O-N 3.14Å; A76-R78 PolarHBondContact O-N 3.11Å; R78-C81 VanDerWaalsContact C-SG 3.59Å; R78-C81 PolarHBondContact O-SG 3.12Å
79K84.2Confident85.8Confident61 Ų6137.3 Ų37.327%0.26519%0.191SC..SBendtrans-75.3-36.3169-69.8-175.6174.3-170.20111.2C74 Q77 V112C74-K79 HydrophobicContact CB-CB 4.45Å; C74-K79 WeakPolarHBondContact O-CB 3.19Å; C74-K79 PolarHBondContact O-N 3.36Å; Q77-K79 HydrophobicContact CB-CG 4.26Å; Q77-K79 PolarHBondContact O-N 3.46Å; Q77-K79 VanDerWaalsContact OE1-CE 3.31Å; K79-V112 HydrophobicContact CB-CG1 3.66Å; K79-V112 HydrophobicContact CB-CG2 4.2Å; K79-V112 HydrophobicContact CD-CG1 4.07Å; K79-V112 HydrophobicContact CG-CG1 3.83Å
80I85.8Confident86Confident1 Ų135.4 Ų35.41%0.00518%0.178CC..  trans-112109.7173.8-62.6173.7000107.7L71 C74 I75 Q85 L86 A89 F106L71-I80 HydrophobicContact CD2-CD1 4.34Å; C74-I80 HydrophobicContact CB-CD1 4.02Å; C74-I80 HydrophobicContact CB-CG1 4.37Å; C74-I80 PolarHBondContact O-N 3.45Å; I75-I80 HydrophobicContact CG1-CB 4.14Å; I75-I80 HydrophobicContact CG1-CG2 4.28Å; I80-Q85 HydrophobicContact CG2-CB 3.93Å; I80-L86 HydrophobicContact CG2-CB 3.9Å; I80-A89 HydrophobicContact CD1-CB 3.66Å; I80-F106 HydrophobicContact CD1-CZ 4.09Å
81C84.6Confident86Confident69 Ų6938 Ų3847%0.46619%0.194SC..  trans-117.1-9.6-176.1-69.10000113.1R78R78-C81 VanDerWaalsContact C-SG 3.59Å; R78-C81 PolarHBondContact O-SG 3.12Å
82T84Confident86Confident24 Ų2438.9 Ų38.915%0.14720%0.198CC..SBendtrans-128.2154.4-176.368.30000112L84 Q85 L86 E160T82-L84 PolarHBondContact O-N 2.85Å; T82-Q85 PolarHBondContact O-N 3.08Å; T82-Q85 WeakPolarHBondContact OG1-CB 3.48Å; T82-Q85 WeakPolarHBondContact OG1-CG 3.26Å; T82-Q85 PolarHBondContact OG1-N 2.64Å; T82-Q85 PolarHBondContact OG1-OE1 3.19Å; T82-L86 PolarHBondContact O-N 2.89Å; T82-E160 HydrophobicContact CG2-CG 4.49Å
83E84.4Confident86.1Confident77 Ų7739.1 Ų39.136%0.3620%0.2SC..Hα-helixtrans-62-28.2175.4-76.1-69.716300112.8L54 S57 A87L54-E83 HydrophobicContact CD2-CG 4.16Å; S57-E83 VanDerWaalsContact CB-OE1 3.22Å; S57-E83 WeakPolarHBondContact CB-OE1 3.43Å; S57-E83 WeakPolarHBondContact CB-OE2 3.41Å; S57-E83 PolarHBondContact OG-OE1 2.81Å; S57-E83 PolarHBondContact OG-OE2 2.99Å; E83-A87 WeakPolarHBondContact O-CB 3.28Å; E83-A87 PolarHBondContact O-N 2.99Å
84L84.6Confident86Confident83 Ų8345.5 Ų45.544%0.43523%0.226SC..Hα-helixtrans-68.8-46.8176-74.9164.5000111.3T82 L86 A87 A88 W158 A159T82-L84 PolarHBondContact O-N 2.85Å; L84-L86 VanDerWaalsContact C-N 3.31Å; L84-L86 PolarHBondContact O-N 3.37Å; L84-A87 PolarHBondContact O-N 3.19Å; L84-A88 PolarHBondContact O-N 3.44Å; L84-W158 HydrophobicContact CB-CE3 4.44Å; L84-A159 WeakPolarHBondContact CD1-O 3.29Å
85Q86.9Confident86Confident13 Ų1348.9 Ų48.96%0.06125%0.249CC..Hα-helixtrans-62.2-40.9174.3-68.6173.3-41.300110.9I80 T82 A88 A89 C110 G111 W158I80-Q85 HydrophobicContact CG2-CB 3.93Å; T82-Q85 PolarHBondContact O-N 3.08Å; T82-Q85 WeakPolarHBondContact OG1-CB 3.48Å; T82-Q85 WeakPolarHBondContact OG1-CG 3.26Å; T82-Q85 PolarHBondContact OG1-N 2.64Å; T82-Q85 PolarHBondContact OG1-OE1 3.19Å; Q85-A88 PolarHBondContact O-N 3.09Å; Q85-A89 WeakPolarHBondContact O-CB 3.39Å; Q85-A89 PolarHBondContact O-N 3.18Å; Q85-C110 VanDerWaalsContact CG-O 3.32Å; Q85-C110 WeakPolarHBondContact CG-O 3.29Å; Q85-G111 PolarHBondContact NE2-O 2.65Å; Q85-W158 HydrophobicContact CG-CE3 3.83Å; Q85-W158 HydrophobicContact CG-CZ3 4.16Å
86L88.1Confident85.7Confident0 Ų052.4 Ų52.40%027%0.265CS..Hα-helixtrans-64.6-42176.1178.760.2000112.3L54 M58 I75 I80 T82 L84 A89 L90L54-L86 HydrophobicContact CB-CD2 4.44Å; L54-L86 HydrophobicContact CD2-CB 4.46Å; L54-L86 HydrophobicContact CD2-CD2 4.15Å; L54-L86 WeakPolarHBondContact O-CD2 3.46Å; M58-L86 HydrophobicContact CB-CD1 3.96Å; M58-L86 HydrophobicContact CB-CD2 4.21Å; M58-L86 HydrophobicContact CG-CD1 4.29Å; I75-L86 HydrophobicContact CD1-CD1 4.24Å; I80-L86 HydrophobicContact CG2-CB 3.9Å; T82-L86 PolarHBondContact O-N 2.89Å; L84-L86 VanDerWaalsContact C-N 3.31Å; L84-L86 PolarHBondContact O-N 3.37Å; L86-A89 PolarHBondContact O-N 2.92Å; L86-L90 HydrophobicContact CD1-CD1 4.33Å; L86-L90 HydrophobicContact CD1-CG 4.26Å; L86-L90 HydrophobicContact CG-CD1 4.14Å; L86-L90 WeakPolarHBondContact O-CB 3.36Å; L86-L90 VanDerWaalsContact O-CG 3.25Å; L86-L90 WeakPolarHBondContact O-CG 3.33Å; L86-L90 PolarHBondContact O-N 3.02Å
87A87.4Confident85.2Confident24 Ų2457.2 Ų57.220%0.19830%0.296CS..Hα-helixtrans-61.6-45.1175.400000111.5E83 L84 A89 L90 D91E83-A87 WeakPolarHBondContact O-CB 3.28Å; E83-A87 PolarHBondContact O-N 2.99Å; L84-A87 PolarHBondContact O-N 3.19Å; A87-A89 VanDerWaalsContact C-N 3.33Å; A87-A89 PolarHBondContact O-N 2.76Å; A87-L90 PolarHBondContact O-N 2.91Å; A87-D91 PolarHBondContact O-N 3.46Å
88A87.8Confident84.9Confident21 Ų2159.9 Ų59.917%0.17431%0.309CS..Hα-helixtrans-61.9-40.3175.300000112.2L84 Q85 D91 F92 W158L84-A88 PolarHBondContact O-N 3.44Å; Q85-A88 PolarHBondContact O-N 3.09Å; A88-D91 PolarHBondContact O-N 2.98Å; A88-F92 VanDerWaalsContact O-CB 3.31Å; A88-F92 WeakPolarHBondContact O-CB 3.33Å; A88-F92 PolarHBondContact O-N 3.46Å; A88-W158 HydrophobicContact CB-CH2 3.57Å; A88-W158 HydrophobicContact CB-CZ3 3.72Å
89A87.8Confident84.4Confident0 Ų057.8 Ų57.80%031%0.309CS..Hα-helixtrans-64.2-41.3175.900000112.5L71 I80 Q85 L86 A87 F92 V93 F106 C110L71-A89 HydrophobicContact CD2-CB 3.94Å; I80-A89 HydrophobicContact CD1-CB 3.66Å; Q85-A89 WeakPolarHBondContact O-CB 3.39Å; Q85-A89 PolarHBondContact O-N 3.18Å; L86-A89 PolarHBondContact O-N 2.92Å; A87-A89 VanDerWaalsContact C-N 3.33Å; A87-A89 PolarHBondContact O-N 2.76Å; A89-F92 PolarHBondContact O-N 3.12Å; A89-V93 WeakPolarHBondContact O-CB 3.37Å; A89-V93 VanDerWaalsContact O-CG2 3.27Å; A89-V93 WeakPolarHBondContact O-CG2 3.26Å; A89-V93 PolarHBondContact O-N 3.32Å; A89-F106 HydrophobicContact CB-CE2 3.93Å; A89-F106 HydrophobicContact CB-CZ 3.92Å; A89-C110 WeakPolarHBondContact CA-SG 3.23Å
90L87.8Confident84Confident18 Ų1860.9 Ų60.99%0.09434%0.335CS..Hα-helixtrans-65.2-40.8175.6-70.9168.2000111.8R61 L62 L71 L86 A87 K94R61-L90 HydrophobicContact CB-CD1 3.71Å; L62-L90 HydrophobicContact CB-CD2 4.03Å; L62-L90 HydrophobicContact CD1-CD2 3.82Å; L71-L90 HydrophobicContact CD1-CD2 4.1Å; L86-L90 HydrophobicContact CD1-CD1 4.33Å; L86-L90 HydrophobicContact CD1-CG 4.26Å; L86-L90 HydrophobicContact CG-CD1 4.14Å; L86-L90 WeakPolarHBondContact O-CB 3.36Å; L86-L90 VanDerWaalsContact O-CG 3.25Å; L86-L90 WeakPolarHBondContact O-CG 3.33Å; L86-L90 PolarHBondContact O-N 3.02Å; A87-L90 PolarHBondContact O-N 2.91Å; L90-K94 WeakPolarHBondContact O-CB 3.36Å; L90-K94 PolarHBondContact O-N 3.33Å
91D87Confident83.8Confident103 Ų10362.2 Ų62.255%0.55134%0.342SS*.Hα-helixtrans-67.6-41175.9-72.6-25.2000111.4A87 A88 K94 S95A87-D91 PolarHBondContact O-N 3.46Å; A88-D91 PolarHBondContact O-N 2.98Å; D91-K94 PolarHBondContact O-N 2.58Å; D91-S95 PolarHBondContact O-N 3.46Å; D91-S95 PolarHBondContact O-OG 3.44Å; D91-S95 VanDerWaalsContact O-OG 3.13Å
92F86.8Confident83.6Confident18 Ų1861.3 Ų61.38%0.07934%0.337CS..Hα-helixtrans-60.4-51.2176.2-173.5-84.2000111.1A88 A89 K94 S95 H96 I101 E105 F106 A109A88-F92 VanDerWaalsContact O-CB 3.31Å; A88-F92 WeakPolarHBondContact O-CB 3.33Å; A88-F92 PolarHBondContact O-N 3.46Å; A89-F92 PolarHBondContact O-N 3.12Å; F92-K94 VanDerWaalsContact C-N 3.25Å; F92-K94 PolarHBondContact O-N 3.11Å; F92-S95 WeakPolarHBondContact CA-OG 3.25Å; F92-S95 PolarHBondContact O-N 3Å; F92-S95 PolarHBondContact O-OG 3.2Å; F92-H96 AromaticContact CD2-CE1 4Å; F92-H96 AromaticContact CD2-ND1 3.88Å; F92-H96 HydrophobicContact CE1-CB 4.26Å; F92-H96 AromaticContact CE1-ND1 3.87Å; F92-H96 AromaticContact CE2-CE1 3.67Å; F92-H96 AromaticContact CE2-ND1 3.76Å; F92-H96 AromaticContact CZ-CE1 3.96Å; F92-H96 AromaticContact CZ-ND1 3.76Å; F92-H96 PolarHBondContact O-N 3.46Å; F92-H96 PolarHBondContact O-ND1 3.41Å; F92-H96 VanDerWaalsContact O-ND1 3.16Å; F92-I101 HydrophobicContact CE1-CG2 3.85Å; F92-E105 HydrophobicContact CE2-CB 4.36Å; F92-E105 HydrophobicContact CZ-CB 4.11Å; F92-F106 HydrophobicContact CD1-CB 4.4Å; F92-F106 AromaticContact CD1-CD2 3.59Å; F92-F106 HydrophobicContact CD1-CD2 3.59Å; F92-F106 HydrophobicContact CD1-CE2 4.41Å; F92-F106 HydrophobicContact CD1-CG 4.48Å; F92-F106 HydrophobicContact CE1-CB 3.96Å; F92-F106 AromaticContact CE1-CD2 3.96Å; F92-F106 HydrophobicContact CE1-CD2 3.96Å; F92-F106 HydrophobicContact CE1-CG 4.49Å; F92-F106 HydrophobicContact CG-CD2 4.18Å; F92-F106 HydrophobicContact CZ-CB 4.24Å; F92-A109 HydrophobicContact CD2-CB 3.43Å; F92-A109 VanDerWaalsContact CD2-CB 3.43Å; F92-A109 HydrophobicContact CE2-CB 3.77Å; F92-A109 HydrophobicContact CG-CB 4.4Å
93V86.1Confident83.5Confident6 Ų663.6 Ų63.64%0.03635%0.345CS..Hα-helixtrans-59.7-37.1177.9167.90000111.7R67 L71 A89 F106R67-V93 HydrophobicContact CB-CG1 3.86Å; R67-V93 HydrophobicContact CG-CG1 3.65Å; L71-V93 HydrophobicContact CD1-CG2 4.34Å; L71-V93 HydrophobicContact CD2-CG2 4.31Å; A89-V93 WeakPolarHBondContact O-CB 3.37Å; A89-V93 VanDerWaalsContact O-CG2 3.27Å; A89-V93 WeakPolarHBondContact O-CG2 3.26Å; A89-V93 PolarHBondContact O-N 3.32Å; V93-F106 HydrophobicContact CG2-CE2 4.42Å
94K85.4Confident83.4Confident175 Ų17566.9 Ų66.976%0.76136%0.359SS*.Hα-helixtrans-68.6-34.9176.2-173.5-178.6175-167.60112.7L90 D91 F92L90-K94 WeakPolarHBondContact O-CB 3.36Å; L90-K94 PolarHBondContact O-N 3.33Å; D91-K94 PolarHBondContact O-N 2.58Å; F92-K94 VanDerWaalsContact C-N 3.25Å; F92-K94 PolarHBondContact O-N 3.11Å
95S83.9Confident83.3Confident74 Ų7468 Ų6852%0.51736%0.361SS..Hα-helixtrans-81.5-19.6179.9610000114.5D91 F92 P97D91-S95 PolarHBondContact O-N 3.46Å; D91-S95 PolarHBondContact O-OG 3.44Å; D91-S95 VanDerWaalsContact O-OG 3.13Å; F92-S95 WeakPolarHBondContact CA-OG 3.25Å; F92-S95 PolarHBondContact O-N 3Å; F92-S95 PolarHBondContact O-OG 3.2Å; S95-P97 VanDerWaalsContact O-CD 3.3Å; S95-P97 WeakPolarHBondContact O-CD 3.34Å
96H82.5Confident83.3Confident76 Ų7667.3 Ų67.335%0.35236%0.359SS..  trans-120.878.4-178.7-6383.8000111.2F92 E98F92-H96 AromaticContact CD2-CE1 4Å; F92-H96 AromaticContact CD2-ND1 3.88Å; F92-H96 HydrophobicContact CE1-CB 4.26Å; F92-H96 AromaticContact CE1-ND1 3.87Å; F92-H96 AromaticContact CE2-CE1 3.67Å; F92-H96 AromaticContact CE2-ND1 3.76Å; F92-H96 AromaticContact CZ-CE1 3.96Å; F92-H96 AromaticContact CZ-ND1 3.76Å; F92-H96 PolarHBondContact O-N 3.46Å; F92-H96 PolarHBondContact O-ND1 3.41Å; F92-H96 VanDerWaalsContact O-ND1 3.16Å; H96-E98 PolarHBondContact O-N 3.37Å
97P75.9Confident83.2Confident101 Ų10169.1 Ų69.166%0.65637%0.368SS*.  trans-74.9-9.6179.531.6-35.7000113.6S95S95-P97 VanDerWaalsContact O-CD 3.3Å; S95-P97 WeakPolarHBondContact O-CD 3.34Å
98E77.1Confident83Confident163 Ų16374.2 Ų74.276%0.76239%0.388SS*.SBendtrans-78.7145.1-177.4-59.4-168.5175.400112.5R67 H96R67-E98 PolarHBondContact NH2-O 2.98Å; R67-E98 VanDerWaalsContact NH2-O 3.08Å; H96-E98 PolarHBondContact O-N 3.37Å
99D74.8Confident82.8Confident107 Ų10775.1 Ų75.157%0.57240%0.395SS*.SBendtrans-110.5135.3174-86.4-44.2000110.1R67R67-D99 IonicContact CZ-OD1 3.03Å; R67-D99 IonicContact NH1-OD1 2.65Å; R67-D99 PolarHBondContact NH1-OD1 2.91Å; R67-D99 IonicContact NH2-OD1 2.73Å; R67-D99 PolarHBondContact NH2-OD1 2.83Å; R67-D99 IonicContact NH2-OD2 3.79Å
100P76.5Confident82.6Confident125 Ų12575.1 Ų75.181%0.81240%0.395SS*.SBendcis-86.1148.31.833.5-34000114
101I79.9Confident82.4Confident30 Ų3074.3 Ų74.315%0.15439%0.391CS..  trans-70.4132.8169.8-71.2175.7000110F92 Q103 F106F92-I101 HydrophobicContact CE1-CG2 3.85Å; I101-Q103 PolarHBondContact O-N 3.49Å; I101-F106 HydrophobicContact CG2-CB 4.09Å
102S82.3Confident82.2Confident50 Ų5070.9 Ų70.935%0.3537%0.374SS..  trans-67.9111.7168.4178.30000110.4K104 E105 F106S102-K104 PolarHBondContact O-N 2.87Å; S102-E105 PolarHBondContact O-N 3.32Å; S102-F106 WeakPolarHBondContact O-CB 3.45Å; S102-F106 PolarHBondContact O-N 3.24Å
103Q80.9Confident81.7Confident71 Ų7173.4 Ų73.433%0.33241%0.405SS..Hα-helixtrans-58.3-36.1178.4-173.867.443.300111.9I101 F106 D107I101-Q103 PolarHBondContact O-N 3.49Å; Q103-F106 PolarHBondContact O-N 3.08Å; Q103-D107 PolarHBondContact NE2-OD1 2.84Å; Q103-D107 PolarHBondContact NE2-OD2 3.4Å; Q103-D107 WeakPolarHBondContact O-CB 3.45Å; Q103-D107 PolarHBondContact O-N 2.99Å
104K82.4Confident81.5Confident146 Ų14676.4 Ų76.464%0.63542%0.423SS*.Hα-helixtrans-67.5-45.3-178.5-172.5-178.9174.7-172.70111.8S102 F106 D107 E108S102-K104 PolarHBondContact O-N 2.87Å; K104-F106 VanDerWaalsContact C-N 3.34Å; K104-D107 PolarHBondContact O-N 3.27Å; K104-E108 WeakPolarHBondContact CE-OE1 3.43Å; K104-E108 WeakPolarHBondContact O-CB 3.26Å; K104-E108 WeakPolarHBondContact O-CG 3.46Å; K104-E108 PolarHBondContact O-N 2.93Å
105E83.3Confident81.1Confident106 Ų10673.6 Ų73.650%0.49542%0.421SS..Hα-helixtrans-68.3-36.4177.8-68174.2179.400111.6F92 S102 A109F92-E105 HydrophobicContact CE2-CB 4.36Å; F92-E105 HydrophobicContact CZ-CB 4.11Å; S102-E105 PolarHBondContact O-N 3.32Å; E105-A109 WeakPolarHBondContact O-CB 3.14Å; E105-A109 PolarHBondContact O-N 3.04Å
106F86Confident81Confident0 Ų072 Ų720%041%0.406CS..Hα-helixtrans-62.4-49.4172.9177.3-95.9000111.7F70 L71 I80 A89 F92 V93 I101 S102 Q103 K104 E108 A109 C110F70-F106 HydrophobicContact CE1-CD1 4.1Å; F70-F106 HydrophobicContact CE1-CD2 4.01Å; F70-F106 AromaticContact CE1-CE1 3.86Å; F70-F106 HydrophobicContact CE1-CE1 3.86Å; F70-F106 AromaticContact CE1-CE2 3.78Å; F70-F106 HydrophobicContact CE1-CE2 3.78Å; F70-F106 HydrophobicContact CE1-CG 4.16Å; F70-F106 AromaticContact CE1-CZ 3.69Å; F70-F106 HydrophobicContact CE1-CZ 3.69Å; F70-F106 AromaticContact CZ-CD1 3.9Å; F70-F106 HydrophobicContact CZ-CD1 3.9Å; F70-F106 HydrophobicContact CZ-CD2 4.46Å; F70-F106 AromaticContact CZ-CE1 3.97Å; F70-F106 HydrophobicContact CZ-CE1 3.97Å; F70-F106 HydrophobicContact CZ-CG 4.15Å; F70-F106 HydrophobicContact CZ-CZ 4.28Å; L71-F106 HydrophobicContact CD2-CE2 4.03Å; L71-F106 HydrophobicContact CD2-CZ 3.75Å; I80-F106 HydrophobicContact CD1-CZ 4.09Å; A89-F106 HydrophobicContact CB-CE2 3.93Å; A89-F106 HydrophobicContact CB-CZ 3.92Å; F92-F106 HydrophobicContact CD1-CB 4.4Å; F92-F106 AromaticContact CD1-CD2 3.59Å; F92-F106 HydrophobicContact CD1-CD2 3.59Å; F92-F106 HydrophobicContact CD1-CE2 4.41Å; F92-F106 HydrophobicContact CD1-CG 4.48Å; F92-F106 HydrophobicContact CE1-CB 3.96Å; F92-F106 AromaticContact CE1-CD2 3.96Å; F92-F106 HydrophobicContact CE1-CD2 3.96Å; F92-F106 HydrophobicContact CE1-CG 4.49Å; F92-F106 HydrophobicContact CG-CD2 4.18Å; F92-F106 HydrophobicContact CZ-CB 4.24Å; V93-F106 HydrophobicContact CG2-CE2 4.42Å; I101-F106 HydrophobicContact CG2-CB 4.09Å; S102-F106 WeakPolarHBondContact O-CB 3.45Å; S102-F106 PolarHBondContact O-N 3.24Å; Q103-F106 PolarHBondContact O-N 3.08Å; K104-F106 VanDerWaalsContact C-N 3.34Å; F106-E108 PolarHBondContact O-N 3.3Å; F106-A109 PolarHBondContact O-N 3.5Å; F106-C110 VanDerWaalsContact O-CB 3.26Å; F106-C110 WeakPolarHBondContact O-CB 3.23Å; F106-C110 PolarHBondContact O-N 3.49Å; F106-C110 PolarHBondContact O-SG 3.37Å
107D85.4Confident81Confident38 Ų3870.8 Ų70.820%0.20340%0.404CS..Hα-helixtrans-62.4-42.8-178.8-73.2-12.2000111Q103 K104 G111 V112Q103-D107 PolarHBondContact NE2-OD1 2.84Å; Q103-D107 PolarHBondContact NE2-OD2 3.4Å; Q103-D107 WeakPolarHBondContact O-CB 3.45Å; Q103-D107 PolarHBondContact O-N 2.99Å; K104-D107 PolarHBondContact O-N 3.27Å; D107-G111 PolarHBondContact O-N 3.4Å; D107-G111 VanDerWaalsContact O-N 3.13Å; D107-V112 HydrophobicContact CB-CB 3.91Å; D107-V112 HydrophobicContact CB-CG1 4.4Å; D107-V112 HydrophobicContact CB-CG2 4.36Å; D107-V112 PolarHBondContact O-N 3.28Å
108E84.2Confident81.2Confident131 Ų13170 Ų7061%0.61240%0.399SS*.Hα-helixtrans-65.8-46.3176.1-73.5174.9-169.500112.4K104 F106 C110 G111K104-E108 WeakPolarHBondContact CE-OE1 3.43Å; K104-E108 WeakPolarHBondContact O-CB 3.26Å; K104-E108 WeakPolarHBondContact O-CG 3.46Å; K104-E108 PolarHBondContact O-N 2.93Å; F106-E108 PolarHBondContact O-N 3.3Å; E108-C110 VanDerWaalsContact C-N 3.31Å; E108-C110 PolarHBondContact O-N 3.49Å; E108-G111 PolarHBondContact O-N 2.92Å
109A83.4Confident81.3Confident39 Ų3966.8 Ų66.832%0.32238%0.384SS..Hα-helixtrans-67.7-31.5-178.500000113F92 E105 F106 W158F92-A109 HydrophobicContact CD2-CB 3.43Å; F92-A109 VanDerWaalsContact CD2-CB 3.43Å; F92-A109 HydrophobicContact CE2-CB 3.77Å; F92-A109 HydrophobicContact CG-CB 4.4Å; E105-A109 WeakPolarHBondContact O-CB 3.14Å; E105-A109 PolarHBondContact O-N 3.04Å; F106-A109 PolarHBondContact O-N 3.5Å; A109-W158 VanDerWaalsContact O-CH2 3.23Å; A109-W158 WeakPolarHBondContact O-CH2 3.41Å; A109-W158 WeakPolarHBondContact O-CZ2 3.42Å
110C83.9Confident81.8Confident0 Ų065.9 Ų65.90%038%0.376CS..THydrogen-bonded Turntrans-92.3-2.9-179.2-57.90000113.5Q85 A89 F106 E108 V112 W158Q85-C110 VanDerWaalsContact CG-O 3.32Å; Q85-C110 WeakPolarHBondContact CG-O 3.29Å; A89-C110 WeakPolarHBondContact CA-SG 3.23Å; F106-C110 VanDerWaalsContact O-CB 3.26Å; F106-C110 WeakPolarHBondContact O-CB 3.23Å; F106-C110 PolarHBondContact O-N 3.49Å; F106-C110 PolarHBondContact O-SG 3.37Å; E108-C110 VanDerWaalsContact C-N 3.31Å; E108-C110 PolarHBondContact O-N 3.49Å; C110-V112 VanDerWaalsContact C-N 3.31Å; C110-V112 HydrophobicContact CB-CG2 4.08Å; C110-V112 PolarHBondContact O-N 3.17Å; C110-W158 VanDerWaalsContact C-CH2 3.43Å
111G82.4Confident82.3Confident2 Ų260.5 Ų60.52%0.02134%0.34CS..THydrogen-bonded Turntrans6534.4-17800000113Q85 D107 E108 G113 V114Q85-G111 PolarHBondContact NE2-O 2.65Å; D107-G111 PolarHBondContact O-N 3.4Å; D107-G111 VanDerWaalsContact O-N 3.13Å; E108-G111 PolarHBondContact O-N 2.92Å; G111-G113 PolarHBondContact O-N 3.42Å; G111-V114 WeakPolarHBondContact O-CB 3.49Å; G111-V114 PolarHBondContact O-N 2.87Å
112V83Confident82.5Confident30 Ų3063.5 Ų63.518%0.18235%0.354CS..THydrogen-bonded Turntrans-67.4129.1175.9174.70000108.7K79 D107 C110 V114K79-V112 HydrophobicContact CB-CG1 3.66Å; K79-V112 HydrophobicContact CB-CG2 4.2Å; K79-V112 HydrophobicContact CD-CG1 4.07Å; K79-V112 HydrophobicContact CG-CG1 3.83Å; D107-V112 HydrophobicContact CB-CB 3.91Å; D107-V112 HydrophobicContact CB-CG1 4.4Å; D107-V112 HydrophobicContact CB-CG2 4.36Å; D107-V112 PolarHBondContact O-N 3.28Å; C110-V112 VanDerWaalsContact C-N 3.31Å; C110-V112 HydrophobicContact CB-CG2 4.08Å; C110-V112 PolarHBondContact O-N 3.17Å; V112-V114 PolarHBondContact O-N 3.38Å
113G77.4Confident82.6Confident71 Ų7166 Ų6673%0.73236%0.363SS*.THydrogen-bonded Turntrans80-2.2-175.600000114.7G111 V115G111-G113 PolarHBondContact O-N 3.42Å; G113-V115 PolarHBondContact O-N 2.71Å
114V80.3Confident83Confident70 Ų7063.5 Ų63.542%0.42435%0.354SS..  trans-78.6111.1171.8-176.60000109.1G111 V112 I116G111-V114 WeakPolarHBondContact O-CB 3.49Å; G111-V114 PolarHBondContact O-N 2.87Å; V112-V114 PolarHBondContact O-N 3.38Å; V114-I116 HydrophobicContact CG1-CG1 4.34Å
115V78.4Confident83.3Confident116 Ų11656.6 Ų56.670%0.70332%0.324SS*.  trans-104.5119.9172.8-178.40000107.8G113G113-V115 PolarHBondContact O-N 2.71Å
116I81.3Confident83.5Confident39 Ų3956.6 Ų56.620%0.232%0.324CS..  trans-94.1124.2173.4-64.1173.7000108.3V114 Q120 I121 L156 W158 A159V114-I116 HydrophobicContact CG1-CG1 4.34Å; I116-Q120 HydrophobicContact CG2-CB 4.21Å; I116-I121 HydrophobicContact CG2-CD1 4.09Å; I116-I121 HydrophobicContact CG2-CG1 3.7Å; I116-L156 HydrophobicContact CD1-CB 4.28Å; I116-L156 HydrophobicContact CG2-CD1 4.35Å; I116-L156 HydrophobicContact CG2-CD2 4.41Å; I116-W158 VanDerWaalsContact CD1-C 3.46Å; I116-W158 HydrophobicContact CD1-CB 3.77Å; I116-A159 HydrophobicContact CD1-CB 3.69Å; I116-A159 HydrophobicContact CG2-CB 4.19Å
117T82.6Confident83.6Confident51 Ų5160.4 Ų60.431%0.31335%0.351SS..  trans-86.4156.1-179.380.50000111.1E119 Q120 I121T117-E119 WeakPolarHBondContact CB-OE2 3.43Å; T117-E119 PolarHBondContact O-N 2.94Å; T117-E119 PolarHBondContact OG1-OE2 3.14Å; T117-Q120 VanDerWaalsContact N-OE1 3.08Å; T117-Q120 PolarHBondContact O-N 2.85Å; T117-Q120 PolarHBondContact OG1-N 2.81Å; T117-I121 PolarHBondContact O-N 2.87Å
118P80.2Confident83.8Confident85 Ų8559.2 Ų59.255%0.55235%0.345SS*.Hα-helixtrans-54.2-38.8173.4-26.336000113Q120 I121 E122P118-Q120 VanDerWaalsContact C-N 3.35Å; P118-Q120 PolarHBondContact O-N 2.94Å; P118-I121 WeakPolarHBondContact O-CB 3.4Å; P118-I121 PolarHBondContact O-N 2.85Å; P118-I121 VanDerWaalsContact O-N 3.09Å; P118-E122 PolarHBondContact O-N 2.98Å
119E78.7Confident84Confident95 Ų9553.7 Ų53.744%0.44432%0.32SS..Hα-helixtrans-63.5-39.8179.7-57.776.9-16800111.4T117 I121 E122 D123T117-E119 WeakPolarHBondContact CB-OE2 3.43Å; T117-E119 PolarHBondContact O-N 2.94Å; T117-E119 PolarHBondContact OG1-OE2 3.14Å; E119-I121 VanDerWaalsContact C-N 3.27Å; E119-I121 PolarHBondContact O-N 3.28Å; E119-E122 PolarHBondContact O-N 2.95Å; E119-D123 WeakPolarHBondContact O-CB 3.33Å; E119-D123 VanDerWaalsContact O-CG 3.29Å; E119-D123 PolarHBondContact O-N 2.81Å
120Q85.1Confident84.2Confident89 Ų8959.4 Ų59.442%0.41634%0.337SS..Hα-helixtrans-64.1-34.3175-70.2176.9-3600112.3I116 T117 P118 A124I116-Q120 HydrophobicContact CG2-CB 4.21Å; T117-Q120 VanDerWaalsContact N-OE1 3.08Å; T117-Q120 PolarHBondContact O-N 2.85Å; T117-Q120 PolarHBondContact OG1-N 2.81Å; P118-Q120 VanDerWaalsContact C-N 3.35Å; P118-Q120 PolarHBondContact O-N 2.94Å; Q120-A124 VanDerWaalsContact O-CB 3.25Å; Q120-A124 WeakPolarHBondContact O-CB 3.32Å; Q120-A124 PolarHBondContact O-N 2.8Å; Q120-A124 VanDerWaalsContact O-N 3.13Å
121I87.1Confident84.5Confident11 Ų1166.1 Ų66.16%0.05637%0.366CS..Hα-helixtrans-70.1-45.5175.5-59.9171.4000110I116 T117 P118 E119 A124 V125 L156 A159 V163 I164 E167I116-I121 HydrophobicContact CG2-CD1 4.09Å; I116-I121 HydrophobicContact CG2-CG1 3.7Å; T117-I121 PolarHBondContact O-N 2.87Å; P118-I121 WeakPolarHBondContact O-CB 3.4Å; P118-I121 PolarHBondContact O-N 2.85Å; P118-I121 VanDerWaalsContact O-N 3.09Å; E119-I121 VanDerWaalsContact C-N 3.27Å; E119-I121 PolarHBondContact O-N 3.28Å; I121-A124 PolarHBondContact O-N 3.15Å; I121-V125 HydrophobicContact CG2-CG2 4.26Å; I121-V125 WeakPolarHBondContact O-CB 3.48Å; I121-V125 VanDerWaalsContact O-CG2 3.25Å; I121-V125 WeakPolarHBondContact O-CG2 3.43Å; I121-V125 PolarHBondContact O-N 2.83Å; I121-L156 HydrophobicContact CB-CD1 4.16Å; I121-L156 HydrophobicContact CG1-CD1 3.76Å; I121-A159 HydrophobicContact CD1-CB 4.33Å; I121-A159 HydrophobicContact CG1-CB 4.4Å; I121-V163 HydrophobicContact CD1-CB 4.26Å; I121-V163 HydrophobicContact CD1-CG1 3.59Å; I121-I164 HydrophobicContact CG2-CG1 4.18Å; I121-E167 HydrophobicContact CG2-CB 4.05Å; I121-E167 HydrophobicContact CG2-CG 4.16Å
122E83.9Confident84.8Confident94 Ų9467.2 Ų67.244%0.43937%0.371SS..Hα-helixtrans-56.4-52.4176.4-172.8176.2-178.900111.1P118 E119 A124 V125 E126 Q171P118-E122 PolarHBondContact O-N 2.98Å; E119-E122 PolarHBondContact O-N 2.95Å; E122-A124 PolarHBondContact O-N 3.12Å; E122-V125 PolarHBondContact O-N 2.75Å; E122-E126 WeakPolarHBondContact O-CB 3.4Å; E122-E126 PolarHBondContact O-N 3.5Å; E122-Q171 PolarHBondContact O-NE2 3.3Å; E122-Q171 VanDerWaalsContact O-NE2 3.16Å
123D85.7Confident85Confident103 Ų10370.7 Ų70.755%0.55138%0.384SS*.Hα-helixtrans-60.2-42.5178.9-72.4-18.7000112.2E119 S127E119-D123 WeakPolarHBondContact O-CB 3.33Å; E119-D123 VanDerWaalsContact O-CG 3.29Å; E119-D123 PolarHBondContact O-N 2.81Å; D123-S127 VanDerWaalsContact O-CB 3.26Å; D123-S127 WeakPolarHBondContact O-CB 3.49Å; D123-S127 PolarHBondContact O-N 2.81Å
124A87.9Confident85.5Confident17 Ų1775.3 Ų75.314%0.1439%0.386CS..Hα-helixtrans-67.1-42.2179.300000111.4Q120 I121 E122 V128 L156Q120-A124 VanDerWaalsContact O-CB 3.25Å; Q120-A124 WeakPolarHBondContact O-CB 3.32Å; Q120-A124 PolarHBondContact O-N 2.8Å; Q120-A124 VanDerWaalsContact O-N 3.13Å; I121-A124 PolarHBondContact O-N 3.15Å; E122-A124 PolarHBondContact O-N 3.12Å; A124-V128 VanDerWaalsContact O-CG2 3.23Å; A124-V128 WeakPolarHBondContact O-CG2 3.25Å; A124-V128 PolarHBondContact O-N 3.03Å; A124-V128 VanDerWaalsContact O-N 3.15Å; A124-L156 HydrophobicContact CB-CD1 3.65Å; A124-L156 HydrophobicContact CB-CG 3.99Å
125V88.6Confident85.8Confident1 Ų177.2 Ų77.21%0.00639%0.391CS..Hα-helixtrans-67.4-43.4176.8171.40000110.5I121 E122 S127 V128 I129 A152 I164 E167 V168 Q171I121-V125 HydrophobicContact CG2-CG2 4.26Å; I121-V125 WeakPolarHBondContact O-CB 3.48Å; I121-V125 VanDerWaalsContact O-CG2 3.25Å; I121-V125 WeakPolarHBondContact O-CG2 3.43Å; I121-V125 PolarHBondContact O-N 2.83Å; E122-V125 PolarHBondContact O-N 2.75Å; V125-S127 PolarHBondContact O-N 2.94Å; V125-V128 PolarHBondContact O-N 3.34Å; V125-I129 HydrophobicContact CG1-CD1 3.76Å; V125-I129 HydrophobicContact CG1-CG1 4.3Å; V125-I129 WeakPolarHBondContact O-CB 3.48Å; V125-I129 WeakPolarHBondContact O-CG1 3.35Å; V125-I129 PolarHBondContact O-N 2.85Å; V125-A152 HydrophobicContact CG2-CB 4.15Å; V125-I164 HydrophobicContact CG2-CG2 4.42Å; V125-E167 HydrophobicContact CB-CG 4.15Å; V125-E167 HydrophobicContact CG1-CG 4.33Å; V125-E167 HydrophobicContact CG2-CB 4.31Å; V125-E167 HydrophobicContact CG2-CG 4.07Å; V125-V168 HydrophobicContact CB-CG2 4.45Å; V125-V168 HydrophobicContact CG1-CB 4.37Å; V125-V168 HydrophobicContact CG1-CG2 3.73Å; V125-V168 HydrophobicContact CG2-CG2 3.8Å; V125-Q171 HydrophobicContact CG1-CB 4.41Å; V125-Q171 HydrophobicContact CG1-CG 4.37Å
126E87.9Confident86.2Confident106 Ų10671.7 Ų71.750%0.49536%0.357SS..Hα-helixtrans-60.9-45.5178.5-169.5-169.7166.400110.7E122 V128 I129 K130 Q171E122-E126 WeakPolarHBondContact O-CB 3.4Å; E122-E126 PolarHBondContact O-N 3.5Å; E126-V128 VanDerWaalsContact C-N 3.33Å; E126-V128 PolarHBondContact O-N 3.37Å; E126-I129 PolarHBondContact O-N 3.44Å; E126-K130 VanDerWaalsContact O-CB 3.28Å; E126-K130 WeakPolarHBondContact O-CB 3.47Å; E126-K130 PolarHBondContact O-N 3.38Å; E126-Q171 VanDerWaalsContact CA-OE1 3.25Å
127S88.2Confident86.4Confident81 Ų8174.2 Ų74.257%0.56637%0.37SS*.Hα-helixtrans-58.5-43.4176.4-176.80000112.2D123 V125 K130 K131D123-S127 VanDerWaalsContact O-CB 3.26Å; D123-S127 WeakPolarHBondContact O-CB 3.49Å; D123-S127 PolarHBondContact O-N 2.81Å; V125-S127 PolarHBondContact O-N 2.94Å; S127-K130 PolarHBondContact O-N 2.91Å; S127-K131 PolarHBondContact O-N 3.35Å; S127-K131 VanDerWaalsContact O-N 3.11Å
128V89.4Confident86.6Confident13 Ų1377.5 Ų77.58%0.07939%0.391CS..Hα-helixtrans-68.9-41.4177.6173.60000111.5A124 V125 E126 K130 K131 H132 L148 E151A124-V128 VanDerWaalsContact O-CG2 3.23Å; A124-V128 WeakPolarHBondContact O-CG2 3.25Å; A124-V128 PolarHBondContact O-N 3.03Å; A124-V128 VanDerWaalsContact O-N 3.15Å; V125-V128 PolarHBondContact O-N 3.34Å; E126-V128 VanDerWaalsContact C-N 3.33Å; E126-V128 PolarHBondContact O-N 3.37Å; V128-K130 VanDerWaalsContact C-N 3.35Å; V128-K131 WeakPolarHBondContact O-CB 3.38Å; V128-K131 PolarHBondContact O-N 3.29Å; V128-H132 PolarHBondContact O-CD2 2.81Å; V128-H132 PolarHBondContact O-N 3.19Å; V128-L148 HydrophobicContact CG1-CB 4.19Å; V128-L148 HydrophobicContact CG1-CD2 3.74Å; V128-E151 HydrophobicContact CG1-CB 3.86Å; V128-E151 HydrophobicContact CG2-CB 3.85Å
129I87.9Confident86.8Confident14 Ų1476.8 Ų76.87%0.07238%0.38CS..Hα-helixtrans-63.4-43175.5-74.3176.2000110.5V125 E126 K131 H132 K133 L136 L148 Q171 V172 L175V125-I129 HydrophobicContact CG1-CD1 3.76Å; V125-I129 HydrophobicContact CG1-CG1 4.3Å; V125-I129 WeakPolarHBondContact O-CB 3.48Å; V125-I129 WeakPolarHBondContact O-CG1 3.35Å; V125-I129 PolarHBondContact O-N 2.85Å; E126-I129 PolarHBondContact O-N 3.44Å; I129-K131 VanDerWaalsContact C-N 3.28Å; I129-K131 PolarHBondContact O-N 3.45Å; I129-H132 CarbonylContact O-C 3.45Å; I129-H132 PolarHBondContact O-N 2.81Å; I129-H132 VanDerWaalsContact O-N 3.08Å; I129-K133 WeakPolarHBondContact O-CA 3.16Å; I129-K133 PolarHBondContact O-N 3.08Å; I129-L136 HydrophobicContact CB-CD1 4.46Å; I129-L136 HydrophobicContact CG1-CD1 4.41Å; I129-L136 HydrophobicContact CG2-CD1 4.04Å; I129-L148 HydrophobicContact CG1-CD1 4.26Å; I129-Q171 HydrophobicContact CD1-CB 3.43Å; I129-Q171 VanDerWaalsContact CD1-CB 3.43Å; I129-Q171 HydrophobicContact CD1-CG 4.48Å; I129-V172 HydrophobicContact CD1-CG2 3.99Å; I129-L175 HydrophobicContact CG2-CD2 3.76Å
130K88.8Confident87.3Confident159 Ų15975.8 Ų75.869%0.69137%0.372SS*.Hα-helixtrans-59.7-39.6177.9-171.6174.4-177.6173.70111.8E126 S127 V128 H132 K133E126-K130 VanDerWaalsContact O-CB 3.28Å; E126-K130 WeakPolarHBondContact O-CB 3.47Å; E126-K130 PolarHBondContact O-N 3.38Å; S127-K130 PolarHBondContact O-N 2.91Å; V128-K130 VanDerWaalsContact C-N 3.35Å; K130-H132 VanDerWaalsContact C-N 3.3Å; K130-H132 PolarHBondContact O-N 2.93Å; K130-K133 WeakPolarHBondContact O-CB 3.2Å; K130-K133 PolarHBondContact O-N 2.99Å
131K90.1Very high87.2Confident141 Ų14173.6 Ų73.661%0.61336%0.36SS*.Hα-helixtrans-62.9-33.9175.4-176.6-178.2170.8-165.60113S127 V128 I129 E151S127-K131 PolarHBondContact O-N 3.35Å; S127-K131 VanDerWaalsContact O-N 3.11Å; V128-K131 WeakPolarHBondContact O-CB 3.38Å; V128-K131 PolarHBondContact O-N 3.29Å; I129-K131 VanDerWaalsContact C-N 3.28Å; I129-K131 PolarHBondContact O-N 3.45Å; K131-E151 IonicContact NZ-OE1 3.54Å; K131-E151 IonicContact NZ-OE2 2.75Å; K131-E151 PolarHBondContact NZ-OE2 2.67Å
132H89.4Confident87.1Confident26 Ų2678 Ų7812%0.1238%0.376CS..THydrogen-bonded Turntrans-105.711.2-178.2-67.3-73.3000113.8V128 I129 K130 E134 Q135 L136 F143 L148 E151V128-H132 PolarHBondContact O-CD2 2.81Å; V128-H132 PolarHBondContact O-N 3.19Å; I129-H132 CarbonylContact O-C 3.45Å; I129-H132 PolarHBondContact O-N 2.81Å; I129-H132 VanDerWaalsContact O-N 3.08Å; K130-H132 VanDerWaalsContact C-N 3.3Å; K130-H132 PolarHBondContact O-N 2.93Å; H132-E134 PolarHBondContact O-N 3Å; H132-Q135 PolarHBondContact O-N 3.28Å; H132-Q135 VanDerWaalsContact O-N 3.16Å; H132-L136 HydrophobicContact CB-CD1 4.15Å; H132-L136 HydrophobicContact CB-CG 4.43Å; H132-L136 WeakPolarHBondContact O-CB 3.33Å; H132-L136 PolarHBondContact O-N 2.97Å; H132-F143 HydrophobicContact CB-CE2 4.5Å; H132-F143 HydrophobicContact CB-CZ 4Å; H132-L148 HydrophobicContact CB-CD2 4.18Å; H132-E151 IonicContact CD2-OE1 3.9Å; H132-E151 IonicContact CE1-OE1 3.49Å; H132-E151 IonicContact NE2-OE1 2.93Å; H132-E151 PolarHBondContact NE2-OE1 2.89Å; H132-E151 IonicContact NE2-OE2 3.76Å
133K86.7Confident87.2Confident103 Ų10374 Ų7445%0.44836%0.357SS..Hα-helixtrans-56.7-44.8-168.3-173.7176.2-178.6176.10113.6I129 K130 L136 L137I129-K133 WeakPolarHBondContact O-CA 3.16Å; I129-K133 PolarHBondContact O-N 3.08Å; K130-K133 WeakPolarHBondContact O-CB 3.2Å; K130-K133 PolarHBondContact O-N 2.99Å; K133-L136 PolarHBondContact O-N 3.2Å; K133-L137 HydrophobicContact CG-CD1 4.08Å; K133-L137 WeakPolarHBondContact O-CG 3.39Å; K133-L137 PolarHBondContact O-N 3.07Å
134E86.6Confident87.3Confident168 Ų16873.7 Ų73.779%0.78536%0.356SS*.Hα-helixtrans-65.1-41-179.2-64.1-174.7169.300112.2H132 T138H132-E134 PolarHBondContact O-N 3Å; E134-T138 WeakPolarHBondContact O-CB 3.47Å; E134-T138 PolarHBondContact O-N 3.18Å; E134-T138 PolarHBondContact O-OG1 2.8Å
135Q87.1Confident87.2Confident110 Ų11074.5 Ų74.551%0.51436%0.357SS..Hα-helixtrans-70-39.7176.7-65.9-176.3-100111.3H132 T138 E139 F143H132-Q135 PolarHBondContact O-N 3.28Å; H132-Q135 VanDerWaalsContact O-N 3.16Å; Q135-T138 PolarHBondContact O-N 3.45Å; Q135-E139 WeakPolarHBondContact O-CB 3.43Å; Q135-E139 PolarHBondContact O-N 2.88Å; Q135-F143 HydrophobicContact CB-CD2 4.21Å; Q135-F143 HydrophobicContact CB-CE2 3.96Å
136L87.3Confident87Confident0 Ų076.1 Ų76.10%037%0.374CS..Hα-helixtrans-62.1-43.3175.5-83.4166.1000112.2I129 H132 K133 T138 R140 F143 M145 L148 L175 L176I129-L136 HydrophobicContact CB-CD1 4.46Å; I129-L136 HydrophobicContact CG1-CD1 4.41Å; I129-L136 HydrophobicContact CG2-CD1 4.04Å; H132-L136 HydrophobicContact CB-CD1 4.15Å; H132-L136 HydrophobicContact CB-CG 4.43Å; H132-L136 WeakPolarHBondContact O-CB 3.33Å; H132-L136 PolarHBondContact O-N 2.97Å; K133-L136 PolarHBondContact O-N 3.2Å; L136-T138 VanDerWaalsContact C-N 3.31Å; L136-T138 PolarHBondContact O-N 3.43Å; L136-R140 WeakPolarHBondContact O-CA 3.18Å; L136-R140 PolarHBondContact O-N 3Å; L136-F143 HydrophobicContact CD2-CB 3.95Å; L136-F143 HydrophobicContact CD2-CD1 3.47Å; L136-F143 VanDerWaalsContact CD2-CD1 3.47Å; L136-F143 HydrophobicContact CD2-CD2 4.45Å; L136-F143 HydrophobicContact CD2-CE1 4.07Å; L136-F143 HydrophobicContact CD2-CG 3.69Å; L136-F143 HydrophobicContact CG-CD1 4.14Å; L136-F143 HydrophobicContact CG-CE1 4.35Å; L136-F143 HydrophobicContact CG-CG 4.25Å; L136-M145 HydrophobicContact CD2-CE 3.93Å; L136-M145 HydrophobicContact CD2-SD 4.18Å; L136-L148 HydrophobicContact CD1-CD1 4.22Å; L136-L148 HydrophobicContact CD1-CD2 4.26Å; L136-L148 HydrophobicContact CD2-CD1 4.25Å; L136-L175 HydrophobicContact CB-CD2 4.28Å; L136-L175 HydrophobicContact CD1-CD2 4.34Å; L136-L176 WeakPolarHBondContact O-CD2 3.34Å
137L86.2Confident87Confident91 Ų9174.9 Ų74.948%0.47637%0.371SS..Hα-helixtrans-67.1-33.5177.6-71.3170.8000112.2K133 L175 L176K133-L137 HydrophobicContact CG-CD1 4.08Å; K133-L137 WeakPolarHBondContact O-CG 3.39Å; K133-L137 PolarHBondContact O-N 3.07Å; L137-L175 HydrophobicContact CD2-CD1 4.17Å; L137-L175 HydrophobicContact CD2-CG 4.27Å; L137-L176 HydrophobicContact CD2-CD2 4.23Å
138T85.4Confident87Confident121 Ų12171.1 Ų71.174%0.74234%0.344SS*.Hα-helixtrans-79.2-47.7-179.3-52.50000112.4E134 Q135 L136E134-T138 WeakPolarHBondContact O-CB 3.47Å; E134-T138 PolarHBondContact O-N 3.18Å; E134-T138 PolarHBondContact O-OG1 2.8Å; Q135-T138 PolarHBondContact O-N 3.45Å; L136-T138 VanDerWaalsContact C-N 3.31Å; L136-T138 PolarHBondContact O-N 3.43Å
139E85.3Confident86.9Confident69 Ų6972.3 Ų72.332%0.32235%0.349SS..Hα-helixtrans-88.1-12.7-177.5-60.8-157142.700113.3Q135 Y141 R142 F143 K187Q135-E139 WeakPolarHBondContact O-CB 3.43Å; Q135-E139 PolarHBondContact O-N 2.88Å; E139-Y141 PolarHBondContact O-N 2.86Å; E139-R142 WeakPolarHBondContact O-CA 3.32Å; E139-R142 VanDerWaalsContact O-CB 3.24Å; E139-R142 WeakPolarHBondContact O-CB 3.49Å; E139-R142 PolarHBondContact O-N 3.27Å; E139-F143 HydrophobicContact CB-CB 4.1Å; E139-F143 WeakPolarHBondContact OE2-CA 3.45Å; E139-K187 IonicContact OE1-NZ 3.26Å; E139-K187 PolarHBondContact OE1-NZ 3.31Å; E139-K187 IonicContact OE2-NZ 3.75Å; E139-K187 PolarHBondContact OE2-NZ 2.98Å
140R88.1Confident86.8Confident75 Ų7573.1 Ų73.128%0.28336%0.361SS..G310 helixtrans44.9-124.5-174.4-61.1-168.171.3-176.8-4.7111.6L136 R142 F143 M145 L176 P178 D183L136-R140 WeakPolarHBondContact O-CA 3.18Å; L136-R140 PolarHBondContact O-N 3Å; R140-R142 PolarHBondContact O-N 3.13Å; R140-F143 WeakPolarHBondContact O-CB 3.24Å; R140-F143 PolarHBondContact O-N 2.82Å; R140-M145 WeakPolarHBondContact O-CE 3.39Å; R140-L176 HydrophobicContact CB-CD1 4.33Å; R140-L176 PolarHBondContact NH2-O 3.02Å; R140-P178 PolarHBondContact NH2-O 3.43Å; R140-D183 WeakPolarHBondContact CB-OD1 3.36Å
141Y84.8Confident86.8Confident43 Ų4368.1 Ų68.117%0.16934%0.34CS..G310 helixtrans-78.7-0.9-178.7-71.7-76.6000114.4E139 F143 V172 L173 L176 G177 K179 D183E139-Y141 PolarHBondContact O-N 2.86Å; Y141-F143 VanDerWaalsContact C-N 3.3Å; Y141-V172 HydrophobicContact CE1-CG1 4.14Å; Y141-L173 WeakPolarHBondContact OH-CD1 3.33Å; Y141-L176 HydrophobicContact CD1-CD1 4.49Å; Y141-L176 HydrophobicContact CD2-CD1 4.42Å; Y141-L176 HydrophobicContact CE2-CB 4.18Å; Y141-L176 HydrophobicContact CE2-CD1 4.46Å; Y141-L176 HydrophobicContact CG-CD1 4.48Å; Y141-G177 WeakPolarHBondContact CE2-O 3.37Å; Y141-G177 PolarHBondContact OH-O 3.22Å; Y141-K179 HydrophobicContact CD1-CD 4.16Å; Y141-K179 HydrophobicContact CD1-CG 3.84Å; Y141-K179 HydrophobicContact CD2-CB 4.25Å; Y141-K179 HydrophobicContact CD2-CD 4.49Å; Y141-K179 HydrophobicContact CD2-CG 3.43Å; Y141-K179 VanDerWaalsContact CD2-CG 3.43Å; Y141-K179 HydrophobicContact CE1-CD 4.25Å; Y141-K179 HydrophobicContact CE1-CG 3.77Å; Y141-K179 HydrophobicContact CE2-CB 4.12Å; Y141-K179 HydrophobicContact CE2-CG 3.34Å; Y141-K179 HydrophobicContact CG-CD 4.25Å; Y141-K179 HydrophobicContact CG-CG 3.64Å; Y141-D183 HydrophobicContact CD2-CB 4.37Å
142R83.1Confident86.6Confident102 Ų10261.4 Ų61.439%0.38531%0.311SS..G310 helixtrans-83.1-10171.3-53.4177.2174172.52.2112.5E139 R140 A182 E185E139-R142 WeakPolarHBondContact O-CA 3.32Å; E139-R142 VanDerWaalsContact O-CB 3.24Å; E139-R142 WeakPolarHBondContact O-CB 3.49Å; E139-R142 PolarHBondContact O-N 3.27Å; R140-R142 PolarHBondContact O-N 3.13Å; R142-A182 PolarHBondContact NH2-O 2.88Å; R142-E185 PolarHBondContact NE-O 3.26Å; R142-E185 IonicContact NH2-OE2 3.19Å
143F87.8Confident86.5Confident10 Ų1066.2 Ų66.24%0.04433%0.328CS..SBendtrans-64.1145.8174-176-94.6000111.2H132 Q135 L136 E139 R140 Y141 M145 L147 L148H132-F143 HydrophobicContact CB-CE2 4.5Å; H132-F143 HydrophobicContact CB-CZ 4Å; Q135-F143 HydrophobicContact CB-CD2 4.21Å; Q135-F143 HydrophobicContact CB-CE2 3.96Å; L136-F143 HydrophobicContact CD2-CB 3.95Å; L136-F143 HydrophobicContact CD2-CD1 3.47Å; L136-F143 VanDerWaalsContact CD2-CD1 3.47Å; L136-F143 HydrophobicContact CD2-CD2 4.45Å; L136-F143 HydrophobicContact CD2-CE1 4.07Å; L136-F143 HydrophobicContact CD2-CG 3.69Å; L136-F143 HydrophobicContact CG-CD1 4.14Å; L136-F143 HydrophobicContact CG-CE1 4.35Å; L136-F143 HydrophobicContact CG-CG 4.25Å; E139-F143 HydrophobicContact CB-CB 4.1Å; E139-F143 WeakPolarHBondContact OE2-CA 3.45Å; R140-F143 WeakPolarHBondContact O-CB 3.24Å; R140-F143 PolarHBondContact O-N 2.82Å; Y141-F143 VanDerWaalsContact C-N 3.3Å; F143-M145 HydrophobicContact CB-CE 3.83Å; F143-M145 HydrophobicContact CD1-CE 4.18Å; F143-M145 HydrophobicContact CD1-SD 4.03Å; F143-M145 PolarHBondContact O-N 3.39Å; F143-L147 HydrophobicContact CZ-CD1 4.24Å; F143-L148 HydrophobicContact CE1-CD1 4.32Å; F143-L148 HydrophobicContact CE1-CD2 3.89Å; F143-L148 HydrophobicContact CE1-CG 3.87Å; F143-L148 HydrophobicContact CZ-CD2 4.44Å
144N86.6Confident86.5Confident98 Ų9866.2 Ų66.252%0.52434%0.341SS..  trans-76.490.4178-1774.6000111G146 L147N144-G146 PolarHBondContact O-N 3.24Å; N144-G146 WeakPolarHBondContact OD1-CA 2.74Å; N144-G146 PolarHBondContact OD1-N 3.09Å; N144-L147 HydrophobicContact CB-CD1 4.09Å; N144-L147 HydrophobicContact CB-CG 4.3Å; N144-L147 WeakPolarHBondContact O-CB 3.3Å; N144-L147 PolarHBondContact O-N 3.47Å
145M86.2Confident86.4Confident34 Ų3461.5 Ų61.517%0.16733%0.331CS..Hα-helixtrans-57.9-18.1176.3-54.7-55.9159.400113.4L136 R140 F143 L147 L148 M149 V172L136-M145 HydrophobicContact CD2-CE 3.93Å; L136-M145 HydrophobicContact CD2-SD 4.18Å; R140-M145 WeakPolarHBondContact O-CE 3.39Å; F143-M145 HydrophobicContact CB-CE 3.83Å; F143-M145 HydrophobicContact CD1-CE 4.18Å; F143-M145 HydrophobicContact CD1-SD 4.03Å; F143-M145 PolarHBondContact O-N 3.39Å; M145-L147 PolarHBondContact O-N 2.86Å; M145-L148 PolarHBondContact O-N 3.28Å; M145-L148 HydrophobicContact SD-CD1 3.85Å; M145-M149 HydrophobicContact CB-CE 4.46Å; M145-M149 WeakPolarHBondContact O-CE 3.49Å; M145-M149 PolarHBondContact O-N 2.81Å; M145-V172 HydrophobicContact CE-CG1 4.06Å; M145-V172 HydrophobicContact SD-CG1 4.2Å; M145-V172 HydrophobicContact SD-CG2 4.2Å
146G84.6Confident86.4Confident35 Ų3557.5 Ų57.536%0.36131%0.313SS..Hα-helixtrans-59.9-30.6171.100000113.8N144 G150N144-G146 PolarHBondContact O-N 3.24Å; N144-G146 WeakPolarHBondContact OD1-CA 2.74Å; N144-G146 PolarHBondContact OD1-N 3.09Å; G146-G150 PolarHBondContact O-N 3.16Å
147L87.6Confident86.2Confident80 Ų8064 Ų6442%0.41934%0.341SS..Hα-helixtrans-67.5-45.3175.8-69.7168.1000111.2F143 N144 M145 M149 G150 E151F143-L147 HydrophobicContact CZ-CD1 4.24Å; N144-L147 HydrophobicContact CB-CD1 4.09Å; N144-L147 HydrophobicContact CB-CG 4.3Å; N144-L147 WeakPolarHBondContact O-CB 3.3Å; N144-L147 PolarHBondContact O-N 3.47Å; M145-L147 PolarHBondContact O-N 2.86Å; L147-M149 PolarHBondContact O-N 2.88Å; L147-G150 PolarHBondContact O-N 3.08Å; L147-E151 PolarHBondContact O-N 3.4Å
148L87.8Confident86.1Confident1 Ų161.6 Ų61.61%0.00533%0.326CS..Hα-helixtrans-60.7-48.5178.5-53.8177.6000110.7V128 I129 H132 L136 F143 M145 G150 E151 A152 V168 V172V128-L148 HydrophobicContact CG1-CB 4.19Å; V128-L148 HydrophobicContact CG1-CD2 3.74Å; I129-L148 HydrophobicContact CG1-CD1 4.26Å; H132-L148 HydrophobicContact CB-CD2 4.18Å; L136-L148 HydrophobicContact CD1-CD1 4.22Å; L136-L148 HydrophobicContact CD1-CD2 4.26Å; L136-L148 HydrophobicContact CD2-CD1 4.25Å; F143-L148 HydrophobicContact CE1-CD1 4.32Å; F143-L148 HydrophobicContact CE1-CD2 3.89Å; F143-L148 HydrophobicContact CE1-CG 3.87Å; F143-L148 HydrophobicContact CZ-CD2 4.44Å; M145-L148 PolarHBondContact O-N 3.28Å; M145-L148 HydrophobicContact SD-CD1 3.85Å; L148-G150 VanDerWaalsContact C-N 3.32Å; L148-G150 PolarHBondContact O-N 3.27Å; L148-E151 PolarHBondContact O-N 2.95Å; L148-A152 VanDerWaalsContact O-CB 3.29Å; L148-A152 WeakPolarHBondContact O-CB 3.3Å; L148-A152 PolarHBondContact O-N 3.36Å; L148-V168 HydrophobicContact CB-CG1 4.05Å; L148-V168 HydrophobicContact CB-CG2 4.41Å; L148-V168 HydrophobicContact CD1-CG1 3.89Å; L148-V172 HydrophobicContact CD1-CG2 3.8Å
149M87.6Confident85.9Confident38 Ų3856 Ų5619%0.18729%0.292CS..Hα-helixtrans-62.7-37.6177.1-71.3-175.4-8000112.4M145 L147 R153 K165 V168M145-M149 HydrophobicContact CB-CE 4.46Å; M145-M149 WeakPolarHBondContact O-CE 3.49Å; M145-M149 PolarHBondContact O-N 2.81Å; L147-M149 PolarHBondContact O-N 2.88Å; M149-R153 VanDerWaalsContact O-CB 3.31Å; M149-R153 WeakPolarHBondContact O-CB 3.3Å; M149-R153 WeakPolarHBondContact O-CG 3.38Å; M149-R153 PolarHBondContact O-N 3.21Å; M149-K165 HydrophobicContact SD-CB 3.92Å; M149-K165 HydrophobicContact SD-CD 4.33Å; M149-K165 HydrophobicContact SD-CG 3.85Å; M149-V168 HydrophobicContact CG-CG2 4.32Å
150G86.2Confident85.7Confident31 Ų3158 Ų5832%0.3230%0.301SS..Hα-helixtrans-67.5-45.6178.800000112.8G146 L147 L148 S154G146-G150 PolarHBondContact O-N 3.16Å; L147-G150 PolarHBondContact O-N 3.08Å; L148-G150 VanDerWaalsContact C-N 3.32Å; L148-G150 PolarHBondContact O-N 3.27Å; G150-S154 WeakPolarHBondContact O-CB 3.36Å; G150-S154 PolarHBondContact O-N 2.83Å; G150-S154 PolarHBondContact O-OG 3.35Å
151E88.1Confident85.4Confident55 Ų5555.3 Ų55.326%0.25730%0.297SS..Hα-helixtrans-66.9-44.1176.5-70.4-170.2-146.800111.4V128 K131 H132 L147 L148 R153 S154 A155V128-E151 HydrophobicContact CG1-CB 3.86Å; V128-E151 HydrophobicContact CG2-CB 3.85Å; K131-E151 IonicContact NZ-OE1 3.54Å; K131-E151 IonicContact NZ-OE2 2.75Å; K131-E151 PolarHBondContact NZ-OE2 2.67Å; H132-E151 IonicContact CD2-OE1 3.9Å; H132-E151 IonicContact CE1-OE1 3.49Å; H132-E151 IonicContact NE2-OE1 2.93Å; H132-E151 PolarHBondContact NE2-OE1 2.89Å; H132-E151 IonicContact NE2-OE2 3.76Å; L147-E151 PolarHBondContact O-N 3.4Å; L148-E151 PolarHBondContact O-N 2.95Å; E151-R153 PolarHBondContact O-N 3.45Å; E151-S154 WeakPolarHBondContact O-CB 3.3Å; E151-S154 PolarHBondContact O-N 3.18Å; E151-S154 VanDerWaalsContact O-N 3.09Å; E151-A155 PolarHBondContact O-N 3.43Å
152A87.3Confident85.3Confident0 Ų060.4 Ų60.40%032%0.32CS..Hα-helixtrans-62.4-40.4176.700000112.4V125 L148 S154 A155 L156 I164V125-A152 HydrophobicContact CG2-CB 4.15Å; L148-A152 VanDerWaalsContact O-CB 3.29Å; L148-A152 WeakPolarHBondContact O-CB 3.3Å; L148-A152 PolarHBondContact O-N 3.36Å; A152-S154 VanDerWaalsContact C-N 3.31Å; A152-S154 PolarHBondContact O-N 2.8Å; A152-A155 PolarHBondContact O-N 3.15Å; A152-L156 PolarHBondContact O-N 2.8Å; A152-I164 HydrophobicContact CB-CG2 3.68Å
153R85.5Confident85.3Confident126 Ų12658.4 Ų58.448%0.47532%0.319SS..Hα-helixtrans-65.3-33172.6-76.7174.7-163-151.95.1113.2M149 E151 A155 L156 K157 I164M149-R153 VanDerWaalsContact O-CB 3.31Å; M149-R153 WeakPolarHBondContact O-CB 3.3Å; M149-R153 WeakPolarHBondContact O-CG 3.38Å; M149-R153 PolarHBondContact O-N 3.21Å; E151-R153 PolarHBondContact O-N 3.45Å; R153-A155 VanDerWaalsContact C-N 3.34Å; R153-L156 CarbonylContact O-C 3.43Å; R153-L156 VanDerWaalsContact O-C 3.27Å; R153-K157 PolarHBondContact O-N 3.36Å; R153-I164 HydrophobicContact CB-CD1 4.44Å; R153-I164 HydrophobicContact CG-CD1 3.57Å
154S86.6Confident85.2Confident103 Ų10357.9 Ų57.972%0.7232%0.317SS*.Hα-helixtrans-70.6-35.3177.4-57.40000111.2G150 E151 A152G150-S154 WeakPolarHBondContact O-CB 3.36Å; G150-S154 PolarHBondContact O-N 2.83Å; G150-S154 PolarHBondContact O-OG 3.35Å; E151-S154 WeakPolarHBondContact O-CB 3.3Å; E151-S154 PolarHBondContact O-N 3.18Å; E151-S154 VanDerWaalsContact O-N 3.09Å; A152-S154 VanDerWaalsContact C-N 3.31Å; A152-S154 PolarHBondContact O-N 2.8Å
155A85.3Confident85.2Confident69 Ų6957.9 Ų57.957%0.5731%0.312SS*.Hα-helixtrans-71.4-39.917300000112.3E151 A152 R153E151-A155 PolarHBondContact O-N 3.43Å; A152-A155 PolarHBondContact O-N 3.15Å; R153-A155 VanDerWaalsContact C-N 3.34Å
156L86.9Confident85.1Confident27 Ų2760.3 Ų60.314%0.14133%0.326CS..  trans-116.976.9-176.6-62176.9000111.4I116 I121 A124 A152 R153 W158 A159I116-L156 HydrophobicContact CD1-CB 4.28Å; I116-L156 HydrophobicContact CG2-CD1 4.35Å; I116-L156 HydrophobicContact CG2-CD2 4.41Å; I121-L156 HydrophobicContact CB-CD1 4.16Å; I121-L156 HydrophobicContact CG1-CD1 3.76Å; A124-L156 HydrophobicContact CB-CD1 3.65Å; A124-L156 HydrophobicContact CB-CG 3.99Å; A152-L156 PolarHBondContact O-N 2.8Å; R153-L156 CarbonylContact O-C 3.43Å; R153-L156 VanDerWaalsContact O-C 3.27Å; L156-W158 PolarHBondContact O-N 2.9Å; L156-W158 VanDerWaalsContact O-N 3.11Å; L156-A159 HydrophobicContact CB-CB 3.71Å; L156-A159 HydrophobicContact CD1-CB 4.4Å; L156-A159 PolarHBondContact O-N 3.25Å; L156-A159 VanDerWaalsContact O-N 3.12Å
157K82.6Confident85.2Confident137 Ų13760.8 Ų60.860%0.59632%0.319SS*.THydrogen-bonded Turntrans-53.2-36.1-173.7-172.3-178.7178.5-170.90114.3R153R153-K157 PolarHBondContact O-N 3.36Å
158W84.4Confident85.2Confident39 Ų3957 Ų5715%0.14830%0.299CS..THydrogen-bonded Turntrans-99.42.9-174.6-51.9113.8000114.1L84 Q85 A88 A109 C110 I116 L156L84-W158 HydrophobicContact CB-CE3 4.44Å; Q85-W158 HydrophobicContact CG-CE3 3.83Å; Q85-W158 HydrophobicContact CG-CZ3 4.16Å; A88-W158 HydrophobicContact CB-CH2 3.57Å; A88-W158 HydrophobicContact CB-CZ3 3.72Å; A109-W158 VanDerWaalsContact O-CH2 3.23Å; A109-W158 WeakPolarHBondContact O-CH2 3.41Å; A109-W158 WeakPolarHBondContact O-CZ2 3.42Å; C110-W158 VanDerWaalsContact C-CH2 3.43Å; I116-W158 VanDerWaalsContact CD1-C 3.46Å; I116-W158 HydrophobicContact CD1-CB 3.77Å; L156-W158 PolarHBondContact O-N 2.9Å; L156-W158 VanDerWaalsContact O-N 3.11Å
159A82.8Confident85.1Confident5 Ų560.7 Ų60.74%0.04132%0.318CS..SBendtrans-79.2143.2-175.500000111L84 I116 I121 L156 G161 I164L84-A159 WeakPolarHBondContact CD1-O 3.29Å; I116-A159 HydrophobicContact CD1-CB 3.69Å; I116-A159 HydrophobicContact CG2-CB 4.19Å; I121-A159 HydrophobicContact CD1-CB 4.33Å; I121-A159 HydrophobicContact CG1-CB 4.4Å; L156-A159 HydrophobicContact CB-CB 3.71Å; L156-A159 HydrophobicContact CD1-CB 4.4Å; L156-A159 PolarHBondContact O-N 3.25Å; L156-A159 VanDerWaalsContact O-N 3.12Å; A159-G161 PolarHBondContact O-N 3.4Å; A159-I164 HydrophobicContact CB-CD1 3.74Å; A159-I164 HydrophobicContact CB-CG1 4Å
160E79.9Confident84.8Confident109 Ų10960.8 Ų60.851%0.50932%0.321SS..  trans-65.1122.4177.7-73.4-170-162.900111.1T82 K162 V163 I164T82-E160 HydrophobicContact CG2-CG 4.49Å; E160-K162 PolarHBondContact O-N 3.13Å; E160-V163 HydrophobicContact CB-CB 4.32Å; E160-V163 HydrophobicContact CB-CG2 3.87Å; E160-V163 PolarHBondContact O-N 2.88Å; E160-I164 PolarHBondContact O-N 3.21Å; E160-I164 VanDerWaalsContact O-N 3.11Å
161G81.5Confident84.8Confident19 Ų1960.6 Ų60.620%0.19631%0.312CS..Hα-helixtrans-60-22.9-17800000114.5A159 K165A159-G161 PolarHBondContact O-N 3.4Å; G161-K165 WeakPolarHBondContact O-CB 3.28Å; G161-K165 PolarHBondContact O-N 2.9Å; G161-K165 VanDerWaalsContact O-N 3.14Å
162K82.7Confident84.8Confident150 Ų15058.2 Ų58.265%0.65230%0.301SS*.Hα-helixtrans-72.9-41174-172-177.8178.3-172.30111.8E160 K165 N166E160-K162 PolarHBondContact O-N 3.13Å; K162-K165 PolarHBondContact O-N 3.47Å; K162-N166 PolarHBondContact O-N 3.01Å; K162-N166 PolarHBondContact O-OD1 2.95Å
163V82.9Confident84.6Confident60 Ų6059.3 Ų59.336%0.36431%0.307SS..Hα-helixtrans-68-46.2178.9-177.60000110I121 E160 K165 N166 E167I121-V163 HydrophobicContact CD1-CB 4.26Å; I121-V163 HydrophobicContact CD1-CG1 3.59Å; E160-V163 HydrophobicContact CB-CB 4.32Å; E160-V163 HydrophobicContact CB-CG2 3.87Å; E160-V163 PolarHBondContact O-N 2.88Å; V163-K165 VanDerWaalsContact C-N 3.28Å; V163-K165 PolarHBondContact O-N 3.27Å; V163-N166 PolarHBondContact O-N 3.37Å; V163-E167 PolarHBondContact O-N 3.34Å
164I86.3Confident84.5Confident0 Ų055.6 Ų55.60%030%0.295CS..Hα-helixtrans-56.3-45173.8-60.2171.5000110.8I121 V125 A152 R153 A159 E160 E167 V168I121-I164 HydrophobicContact CG2-CG1 4.18Å; V125-I164 HydrophobicContact CG2-CG2 4.42Å; A152-I164 HydrophobicContact CB-CG2 3.68Å; R153-I164 HydrophobicContact CB-CD1 4.44Å; R153-I164 HydrophobicContact CG-CD1 3.57Å; A159-I164 HydrophobicContact CB-CD1 3.74Å; A159-I164 HydrophobicContact CB-CG1 4Å; E160-I164 PolarHBondContact O-N 3.21Å; E160-I164 VanDerWaalsContact O-N 3.11Å; I164-E167 PolarHBondContact O-N 3.44Å; I164-V168 HydrophobicContact CG2-CG2 4.31Å; I164-V168 VanDerWaalsContact O-CG2 3.25Å; I164-V168 WeakPolarHBondContact O-CG2 3.42Å; I164-V168 PolarHBondContact O-N 3.2Å
165K87.2Confident84.4Confident98 Ų9853.2 Ų53.243%0.42627%0.274SS..Hα-helixtrans-60.8-48.2178.6178.2-178.9175.2-172.70111.4M149 G161 K162 V163 E167 V168 D169M149-K165 HydrophobicContact SD-CB 3.92Å; M149-K165 HydrophobicContact SD-CD 4.33Å; M149-K165 HydrophobicContact SD-CG 3.85Å; G161-K165 WeakPolarHBondContact O-CB 3.28Å; G161-K165 PolarHBondContact O-N 2.9Å; G161-K165 VanDerWaalsContact O-N 3.14Å; K162-K165 PolarHBondContact O-N 3.47Å; V163-K165 VanDerWaalsContact C-N 3.28Å; V163-K165 PolarHBondContact O-N 3.27Å; K165-E167 VanDerWaalsContact C-N 3.28Å; K165-E167 PolarHBondContact O-N 3Å; K165-V168 PolarHBondContact O-N 3.48Å; K165-D169 WeakPolarHBondContact CE-OD2 3.4Å; K165-D169 WeakPolarHBondContact O-CB 3.34Å; K165-D169 VanDerWaalsContact O-CG 3.26Å; K165-D169 PolarHBondContact O-N 3.36Å
166N84.6Confident84.4Confident85 Ų8550.6 Ų50.646%0.45525%0.25SC..Hα-helixtrans-59.5-42.6179.7-69.2-10.1000111.1K162 V163 D169 V170K162-N166 PolarHBondContact O-N 3.01Å; K162-N166 PolarHBondContact O-OD1 2.95Å; V163-N166 PolarHBondContact O-N 3.37Å; N166-D169 PolarHBondContact O-N 2.93Å; N166-V170 VanDerWaalsContact O-CG2 3.28Å; N166-V170 WeakPolarHBondContact O-CG2 3.5Å; N166-V170 PolarHBondContact O-N 3Å
167E86.1Confident84Confident45 Ų4550.1 Ų50.121%0.2125%0.252CS..Hα-helixtrans-65.6-44.4178.8-170.955.1-143.400112.2I121 V125 V163 I164 K165 D169 V170 Q171I121-E167 HydrophobicContact CG2-CB 4.05Å; I121-E167 HydrophobicContact CG2-CG 4.16Å; V125-E167 HydrophobicContact CB-CG 4.15Å; V125-E167 HydrophobicContact CG1-CG 4.33Å; V125-E167 HydrophobicContact CG2-CB 4.31Å; V125-E167 HydrophobicContact CG2-CG 4.07Å; V163-E167 PolarHBondContact O-N 3.34Å; I164-E167 PolarHBondContact O-N 3.44Å; K165-E167 VanDerWaalsContact C-N 3.28Å; K165-E167 PolarHBondContact O-N 3Å; E167-D169 VanDerWaalsContact C-N 3.34Å; E167-D169 PolarHBondContact O-N 3.3Å; E167-V170 PolarHBondContact O-N 2.94Å; E167-Q171 PolarHBondContact O-N 3.19Å; E167-Q171 WeakPolarHBondContact OE1-CG 3.47Å; E167-Q171 PolarHBondContact OE1-NE2 3.24Å
168V87.7Confident83.8Confident1 Ų145.8 Ų45.81%0.00624%0.238CC..Hα-helixtrans-58.1-47.2172.5171.10000110.7V125 L148 M149 I164 K165 V170 V172V125-V168 HydrophobicContact CB-CG2 4.45Å; V125-V168 HydrophobicContact CG1-CB 4.37Å; V125-V168 HydrophobicContact CG1-CG2 3.73Å; V125-V168 HydrophobicContact CG2-CG2 3.8Å; L148-V168 HydrophobicContact CB-CG1 4.05Å; L148-V168 HydrophobicContact CB-CG2 4.41Å; L148-V168 HydrophobicContact CD1-CG1 3.89Å; M149-V168 HydrophobicContact CG-CG2 4.32Å; I164-V168 HydrophobicContact CG2-CG2 4.31Å; I164-V168 VanDerWaalsContact O-CG2 3.25Å; I164-V168 WeakPolarHBondContact O-CG2 3.42Å; I164-V168 PolarHBondContact O-N 3.2Å; K165-V168 PolarHBondContact O-N 3.48Å; V168-V170 VanDerWaalsContact C-N 3.29Å; V168-V170 PolarHBondContact O-N 3.41Å; V168-V172 HydrophobicContact CG1-CG2 4.07Å; V168-V172 WeakPolarHBondContact O-CB 3.42Å; V168-V172 WeakPolarHBondContact O-CG2 3.37Å; V168-V172 PolarHBondContact O-N 3.25Å
169D85.7Confident83.7Confident77 Ų7750.6 Ų50.641%0.41226%0.26SS..Hα-helixtrans-60.9-39-179.9-73.4-25.6000111.1K165 N166 E167 L173K165-D169 WeakPolarHBondContact CE-OD2 3.4Å; K165-D169 WeakPolarHBondContact O-CB 3.34Å; K165-D169 VanDerWaalsContact O-CG 3.26Å; K165-D169 PolarHBondContact O-N 3.36Å; N166-D169 PolarHBondContact O-N 2.93Å; E167-D169 VanDerWaalsContact C-N 3.34Å; E167-D169 PolarHBondContact O-N 3.3Å; D169-L173 VanDerWaalsContact O-CB 3.24Å; D169-L173 WeakPolarHBondContact O-CB 3.38Å; D169-L173 PolarHBondContact O-N 3.29Å; D169-L173 VanDerWaalsContact O-N 3.08Å
170V81.6Confident83.5Confident41 Ų4153 Ų5325%0.24827%0.274CS..Hα-helixtrans-68.4-54.4177.4169.60000111.8N166 E167 V168 V172 L173 H174N166-V170 VanDerWaalsContact O-CG2 3.28Å; N166-V170 WeakPolarHBondContact O-CG2 3.5Å; N166-V170 PolarHBondContact O-N 3Å; E167-V170 PolarHBondContact O-N 2.94Å; V168-V170 VanDerWaalsContact C-N 3.29Å; V168-V170 PolarHBondContact O-N 3.41Å; V170-V172 VanDerWaalsContact C-N 3.33Å; V170-V172 PolarHBondContact O-N 3.22Å; V170-L173 WeakPolarHBondContact O-CB 3.37Å; V170-L173 PolarHBondContact O-N 3.13Å; V170-L173 VanDerWaalsContact O-N 3.13Å; V170-H174 PolarHBondContact O-N 3.41Å
171Q85.3Confident82.9Confident27 Ų2755.9 Ų55.913%0.12629%0.287CS..Hα-helixtrans-66.5-35.3-177.5-68.6-169.523.400112.4E122 V125 E126 I129 E167 L173 H174 L175E122-Q171 PolarHBondContact O-NE2 3.3Å; E122-Q171 VanDerWaalsContact O-NE2 3.16Å; V125-Q171 HydrophobicContact CG1-CB 4.41Å; V125-Q171 HydrophobicContact CG1-CG 4.37Å; E126-Q171 VanDerWaalsContact CA-OE1 3.25Å; I129-Q171 HydrophobicContact CD1-CB 3.43Å; I129-Q171 VanDerWaalsContact CD1-CB 3.43Å; I129-Q171 HydrophobicContact CD1-CG 4.48Å; E167-Q171 PolarHBondContact O-N 3.19Å; E167-Q171 WeakPolarHBondContact OE1-CG 3.47Å; E167-Q171 PolarHBondContact OE1-NE2 3.24Å; Q171-L173 VanDerWaalsContact C-N 3.34Å; Q171-H174 PolarHBondContact O-N 2.95Å; Q171-L175 WeakPolarHBondContact O-CB 3.48Å; Q171-L175 PolarHBondContact O-N 3.37Å
172V87.4Confident82.2Confident4 Ų457.5 Ų57.52%0.02430%0.299CS..Hα-helixtrans-65.7-39.8173.4171.60000110.7I129 Y141 M145 L148 V168 V170 H174 L175 L176I129-V172 HydrophobicContact CD1-CG2 3.99Å; Y141-V172 HydrophobicContact CE1-CG1 4.14Å; M145-V172 HydrophobicContact CE-CG1 4.06Å; M145-V172 HydrophobicContact SD-CG1 4.2Å; M145-V172 HydrophobicContact SD-CG2 4.2Å; L148-V172 HydrophobicContact CD1-CG2 3.8Å; V168-V172 HydrophobicContact CG1-CG2 4.07Å; V168-V172 WeakPolarHBondContact O-CB 3.42Å; V168-V172 WeakPolarHBondContact O-CG2 3.37Å; V168-V172 PolarHBondContact O-N 3.25Å; V170-V172 VanDerWaalsContact C-N 3.33Å; V170-V172 PolarHBondContact O-N 3.22Å; V172-H174 VanDerWaalsContact C-N 3.35Å; V172-L175 PolarHBondContact O-N 2.87Å; V172-L176 HydrophobicContact CG1-CD1 3.57Å; V172-L176 HydrophobicContact CG1-CG 4.11Å; V172-L176 WeakPolarHBondContact O-CB 3.2Å; V172-L176 WeakPolarHBondContact O-CG 3.32Å; V172-L176 PolarHBondContact O-N 3.06Å
173L84.2Confident81.6Confident23 Ų2351.4 Ų51.412%0.1227%0.273CS..Hα-helixtrans-62.8-40.8173.6178.966000111.8Y141 D169 V170 Q171 G177Y141-L173 WeakPolarHBondContact OH-CD1 3.33Å; D169-L173 VanDerWaalsContact O-CB 3.24Å; D169-L173 WeakPolarHBondContact O-CB 3.38Å; D169-L173 PolarHBondContact O-N 3.29Å; D169-L173 VanDerWaalsContact O-N 3.08Å; V170-L173 WeakPolarHBondContact O-CB 3.37Å; V170-L173 PolarHBondContact O-N 3.13Å; V170-L173 VanDerWaalsContact O-N 3.13Å; Q171-L173 VanDerWaalsContact C-N 3.34Å; L173-G177 VanDerWaalsContact O-CA 3.26Å; L173-G177 WeakPolarHBondContact O-CA 3.19Å; L173-G177 PolarHBondContact O-N 3.46Å
174H82.1Confident80.8Confident49 Ų4954.9 Ų54.923%0.22729%0.289CS..Hα-helixtrans-63-42.7174.5-68.1168.7000112.4V170 Q171 V172 Q265 Y332V170-H174 PolarHBondContact O-N 3.41Å; Q171-H174 PolarHBondContact O-N 2.95Å; V172-H174 VanDerWaalsContact C-N 3.35Å; H174-Q265 PolarHBondContact CE1-OE1 3.25Å; H174-Q265 PolarHBondContact NE2-OE1 2.72Å; H174-Y332 AromaticContact CE1-CE2 3.7Å; H174-Y332 AromaticContact CG-CE2 3.96Å; H174-Y332 AromaticContact ND1-CE2 3.41Å; H174-Y332 WeakPolarHBondContact ND1-CE2 3.44Å
175L85.6Confident79.6Confident52 Ų5261.1 Ų61.127%0.27232%0.318SS..Hα-helixtrans-71.4-43.5-179.5-179.664.3000112.9I129 L136 L137 Q171 V172I129-L175 HydrophobicContact CG2-CD2 3.76Å; L136-L175 HydrophobicContact CB-CD2 4.28Å; L136-L175 HydrophobicContact CD1-CD2 4.34Å; L137-L175 HydrophobicContact CD2-CD1 4.17Å; L137-L175 HydrophobicContact CD2-CG 4.27Å; Q171-L175 WeakPolarHBondContact O-CB 3.48Å; Q171-L175 PolarHBondContact O-N 3.37Å; V172-L175 PolarHBondContact O-N 2.87Å
176L85.3Confident78Confident14 Ų1465.3 Ų65.37%0.07334%0.336CS..Hα-helixtrans-97.7-16.7-171-58.9-176.9000113.7L136 L137 R140 Y141 V172L136-L176 WeakPolarHBondContact O-CD2 3.34Å; L137-L176 HydrophobicContact CD2-CD2 4.23Å; R140-L176 HydrophobicContact CB-CD1 4.33Å; R140-L176 PolarHBondContact NH2-O 3.02Å; Y141-L176 HydrophobicContact CD1-CD1 4.49Å; Y141-L176 HydrophobicContact CD2-CD1 4.42Å; Y141-L176 HydrophobicContact CE2-CB 4.18Å; Y141-L176 HydrophobicContact CE2-CD1 4.46Å; Y141-L176 HydrophobicContact CG-CD1 4.48Å; V172-L176 HydrophobicContact CG1-CD1 3.57Å; V172-L176 HydrophobicContact CG1-CG 4.11Å; V172-L176 WeakPolarHBondContact O-CB 3.2Å; V172-L176 WeakPolarHBondContact O-CG 3.32Å; V172-L176 PolarHBondContact O-N 3.06Å
177G78.4Confident76.5Confident18 Ų1866.4 Ų66.419%0.18634%0.337CS..  trans67.3-171.4-168.200000112.7Y141 L173Y141-G177 WeakPolarHBondContact CE2-O 3.37Å; Y141-G177 PolarHBondContact OH-O 3.22Å; L173-G177 VanDerWaalsContact O-CA 3.26Å; L173-G177 WeakPolarHBondContact O-CA 3.19Å; L173-G177 PolarHBondContact O-N 3.46Å
178P78.5Confident74Confident46 Ų4670.4 Ų70.430%0.29937%0.367SS..SBendtrans-64.5152-172.328.1-36.1000112.8R140 T180 F261R140-P178 PolarHBondContact NH2-O 3.43Å; P178-T180 PolarHBondContact O-N 2.88Å; P178-F261 HydrophobicContact CB-CD2 4.47Å; P178-F261 HydrophobicContact CG-CD2 3.89Å
179K83.2Confident71.6Confident140 Ų14079 Ų7961%0.60941%0.405SS*.PPolyproline II helixtrans-62.7128.3171.9-75.2179179.4176.70110.4Y141Y141-K179 HydrophobicContact CD1-CD 4.16Å; Y141-K179 HydrophobicContact CD1-CG 3.84Å; Y141-K179 HydrophobicContact CD2-CB 4.25Å; Y141-K179 HydrophobicContact CD2-CD 4.49Å; Y141-K179 HydrophobicContact CD2-CG 3.43Å; Y141-K179 VanDerWaalsContact CD2-CG 3.43Å; Y141-K179 HydrophobicContact CE1-CD 4.25Å; Y141-K179 HydrophobicContact CE1-CG 3.77Å; Y141-K179 HydrophobicContact CE2-CB 4.12Å; Y141-K179 HydrophobicContact CE2-CG 3.34Å; Y141-K179 HydrophobicContact CG-CD 4.25Å; Y141-K179 HydrophobicContact CG-CG 3.64Å
180T77.8Confident69.2Low54 Ų5480.1 Ų80.133%0.33142%0.424SS..PPolyproline II helixtrans-103.2165.2177.764.60000111.3P178 A182 D183P178-T180 PolarHBondContact O-N 2.88Å; T180-A182 PolarHBondContact O-N 2.87Å; T180-D183 PolarHBondContact N-OD2 2.97Å; T180-D183 VanDerWaalsContact O-CB 3.29Å; T180-D183 WeakPolarHBondContact O-CB 3.28Å; T180-D183 PolarHBondContact O-N 3.48Å; T180-D183 PolarHBondContact OG1-OD2 3.3Å
181E66.8Low66.8Low171 Ų17186.9 Ų86.980%0.79945%0.453SS*.Hα-helixtrans-60.4-33177.6-68.6-174160.400112.6D183 L184E181-D183 PolarHBondContact O-N 3.41Å; E181-L184 WeakPolarHBondContact O-CB 3.47Å; E181-L184 PolarHBondContact O-N 3.24Å
182A66.4Low64.1Low53 Ų5395.3 Ų95.344%0.43849%0.49SS..Hα-helixtrans-61.7-28.5173.900000112.4R142 T180 L184 E185R142-A182 PolarHBondContact NH2-O 2.88Å; T180-A182 PolarHBondContact O-N 2.87Å; A182-L184 VanDerWaalsContact C-N 3.27Å; A182-L184 PolarHBondContact O-N 3.08Å; A182-E185 PolarHBondContact O-N 2.83Å
183D71.1Confident61.3Low21 Ų21100 Ų10011%0.11253%0.529CS..Hα-helixtrans-73.3-20.8176.3-62.9-59.3000112.7R140 Y141 T180 E181R140-D183 WeakPolarHBondContact CB-OD1 3.36Å; Y141-D183 HydrophobicContact CD2-CB 4.37Å; T180-D183 PolarHBondContact N-OD2 2.97Å; T180-D183 VanDerWaalsContact O-CB 3.29Å; T180-D183 WeakPolarHBondContact O-CB 3.28Å; T180-D183 PolarHBondContact O-N 3.48Å; T180-D183 PolarHBondContact OG1-OD2 3.3Å; E181-D183 PolarHBondContact O-N 3.41Å
184L65.1Low58.5Low134 Ų134108.6 Ų108.670%0.70257%0.565SS**Hα-helixtrans-86.4-13.6179.5-61.1172.8000112.9E181 A182 K186E181-L184 WeakPolarHBondContact O-CB 3.47Å; E181-L184 PolarHBondContact O-N 3.24Å; A182-L184 VanDerWaalsContact C-N 3.27Å; A182-L184 PolarHBondContact O-N 3.08Å; L184-K186 PolarHBondContact O-N 3.41Å
185E61.7Low55.9Low131 Ų131113.5 Ų113.561%0.61260%0.598SS**SBendtrans-68.1121.8172.6-70-176.3164.200110.8R142 A182R142-E185 PolarHBondContact NE-O 3.26Å; R142-E185 IonicContact NH2-OE2 3.19Å; A182-E185 PolarHBondContact O-N 2.83Å
186K53.4Low53.1Low185 Ų185114.3 Ų114.380%0.80462%0.619SS**  trans-67.2133.3-179.4-74.8172.3177.4164.60110.7L184L184-K186 PolarHBondContact O-N 3.41Å
187K52.5Low50.3Low108 Ų108122.2 Ų122.247%0.4766%0.656SS.*  trans-45.9141.9165.1-93.8179172.1171.10109.9E139 K189E139-K187 IonicContact OE1-NZ 3.26Å; E139-K187 PolarHBondContact OE1-NZ 3.31Å; E139-K187 IonicContact OE2-NZ 3.75Å; E139-K187 PolarHBondContact OE2-NZ 2.98Å; K187-K189 PolarHBondContact O-N 3.34Å; K187-K189 VanDerWaalsContact O-N 3.14Å
188P35Very low47.8Very low130 Ų130129.2 Ų129.284%0.84469%0.689SS**PPolyproline II helixtrans-56.4120.8170.8-17.829.3000109A190P188-A190 PolarHBondContact O-N 3.41Å
189K35.8Very low45.3Very low181 Ų181134.2 Ų134.279%0.78771%0.713SS**PPolyproline II helixtrans-76.3123.4-174.7-79.1-176.7173.1-176.80111.3K187K187-K189 PolarHBondContact O-N 3.34Å; K187-K189 VanDerWaalsContact O-N 3.14Å
190A36.5Very low42.5Very low100 Ų100134.5 Ų134.583%0.82673%0.726SS**PPolyproline II helixtrans-64.9144.4150.400000109.7P188P188-A190 PolarHBondContact O-N 3.41Å
191Q30.5Very low39.9Very low184 Ų184141.2 Ų141.286%0.8675%0.751SS**PPolyproline II helixtrans-75.3131.6-161.5-69.3176.1-9.300115.6
192K29.3Very low37.8Very low204 Ų204137.4 Ų137.489%0.88775%0.749SS**  trans57.5142.4147.3-70.8-179.8178.7176.10119.5
193A27.8Very low35.6Very low102 Ų102145 Ų14584%0.84377%0.772SS**  cis-143.2157.943.200000115.8
194K26.8Very low33.3Very low203 Ų203153.6 Ų153.688%0.88381%0.808SS**  trans-81.7154.1-178.1-74.5179.2169-174.70112.7
195V26.5Very low31.3Very low153 Ų153156.7 Ų156.793%0.92782%0.819SS**  175.4137.9116.2176.20000105.8
196G27Very low29.4Very low69 Ų69158.5 Ų158.571%0.71183%0.827SS**  cis-172.5156.4300000108.4
197E26.8Very low27.9Very low179 Ų179156.8 Ų156.884%0.83683%0.832SS**  trans-73.5157.4-172.9-72.2162144.300114.6
198N26Very low26.5Very low166 Ų166156.7 Ų156.789%0.88884%0.84SS**  -166.3133.8115.6-92-21.1000112.9
199D25.1Very low25.9Very low151 Ų151156.4 Ų156.481%0.80784%0.841SS**  trans-58.9159.9172.4-86.5-51.6000114.6
200V25.6Very low25.2Very low145 Ų145154.8 Ų154.888%0.87984%0.84SS**  -167.5136.5123.5163.70000111.7
201K21.8Very low24.6Very low196 Ų196157.9 Ų157.985%0.85284%0.843SS**  trans-70.5156.2170.5-70.2167.3170.9169.80114.3
202A22.9Very low24.4Very low91 Ų91152.4 Ų152.475%0.75284%0.836SS**  trans150.4114132.400000110.7
203K21.2Very low24.1Very low212 Ų212150.4 Ų150.492%0.92284%0.835SS**  79.7132.292.2-86.8-170176.7-175.80115.6
204K23Very low24.3Very low202 Ų202149.2 Ų149.288%0.87883%0.833SS**  trans-55.6155.3171.5-69.1174.5166.7-177.40112.9
205E22.1Very low24.1Very low198 Ų198146 Ų14693%0.92583%0.825SS**  -160.9139.4121.7-108.4165.6-155.900111.9
206E22.9Very low24.3Very low169 Ų169149.4 Ų149.479%0.7983%0.828SS**  trans-82.4151.6170.9-67.2172.4142.500110
207V21.4Very low24.4Very low150 Ų150150.4 Ų150.491%0.90982%0.82SS**  trans-141.1130.2142.9-1740000109.6
208V23.4Very low24.5Very low106 Ų106151.4 Ų151.464%0.64282%0.824SS**  trans-77.8144.5179175.70000110.9L210V208-L210 HydrophobicContact CG1-CD1 4.3Å; V208-L210 HydrophobicContact CG1-CG 4.06Å
209S21Very low25.3Very low123 Ų123147.4 Ų147.486%0.8682%0.822SS**  trans-136.7108.5146.444.60000110.1
210L22.9Very low26.7Very low147 Ų147146.6 Ų146.677%0.7781%0.808SS**  trans-67.5137.4164.2-74.1149.4000108.5V208V208-L210 HydrophobicContact CG1-CD1 4.3Å; V208-L210 HydrophobicContact CG1-CG 4.06Å
211N22.5Very low28.7Very low166 Ų166142.4 Ų142.489%0.88879%0.786SS**  trans-159.2116.9134.5-89.5-21.4000107.3
212G26.1Very low31Very low68 Ų68134.3 Ų134.370%0.70175%0.751SS**  trans-76.4152.617300000110.5
213D22.7Very low33.2Very low163 Ų163133.1 Ų133.187%0.87273%0.731SS**  trans-153.8122.3141.1-94.4-31.8000108.6N215D213-N215 PolarHBondContact O-N 2.93Å
214G32.7Very low35.7Very low77 Ų77127 Ų12779%0.79471%0.706SS**  trans-75.8111.4170.600000108.5
215N22.7Very low38Very low136 Ų136120.5 Ų120.573%0.72768%0.678SS**  trans-129.6112.9160.6-90.6-25.2000108.1D213 V217D213-N215 PolarHBondContact O-N 2.93Å; N215-V217 PolarHBondContact O-N 3.19Å
216F31.2Very low40.3Very low224 Ų224111.2 Ų111.298%0.98264%0.635SS**  trans-60112.5162.3-92.9-98.5000107.5
217V28Very low42.5Very low90 Ų90109.9 Ų109.955%0.54562%0.623SS.*  trans-107.2114.4172-177.80000106.8N215 G219N215-V217 PolarHBondContact O-N 3.19Å; V217-G219 PolarHBondContact O-N 2.82Å
218E29Very low44.1Very low199 Ų199103.3 Ų103.393%0.9359%0.585SS**THydrogen-bonded Turntrans-53130168.4-81.4179.6137.100109.9
219G42.7Very low45.7Very low82 Ų82106.7 Ų106.785%0.84559%0.594SS**THydrogen-bonded Turntrans107.48.9167.100000118V217V217-G219 PolarHBondContact O-N 2.82Å
220R55.6Low47.6Very low134 Ų134103.6 Ų103.651%0.50658%0.576SS.*  trans-70.1140.2171.2-68.5-170.2-174.8-178.72.9111.6E224 Q225R220-E224 HydrophobicContact CB-CB 4.31Å; R220-Q225 HydrophobicContact CB-CG 4.22Å
221S67.6Low49.8Very low58 Ų5898.5 Ų98.541%0.40655%0.549SS..  trans-63.4152.6175.865.40000111.1M223 E224 Q225S221-M223 PolarHBondContact O-N 2.9Å; S221-M223 VanDerWaalsContact O-N 3.14Å; S221-E224 PolarHBondContact N-OE2 2.97Å; S221-E224 PolarHBondContact O-N 2.96Å; S221-E224 VanDerWaalsContact OG-CG 3.23Å; S221-E224 WeakPolarHBondContact OG-CG 3.37Å; S221-E224 PolarHBondContact OG-N 3.44Å; S221-E224 PolarHBondContact OG-OE2 3.39Å; S221-Q225 PolarHBondContact O-N 3.25Å; S221-Q225 VanDerWaalsContact O-N 3.12Å
222L69.3Low52.5Low26 Ų2699.7 Ų99.714%0.13655%0.546CS..Hα-helixtrans-50.6-41.2177.7179.563.9000111.7E224 Q225 L226 N287 N538 A542L222-E224 PolarHBondContact O-N 3.42Å; L222-Q225 PolarHBondContact O-N 2.78Å; L222-L226 HydrophobicContact CD1-CD1 3.86Å; L222-L226 HydrophobicContact CD1-CG 4.18Å; L222-L226 HydrophobicContact CG-CD1 3.88Å; L222-L226 HydrophobicContact CG-CG 4.46Å; L222-L226 WeakPolarHBondContact O-CB 3.48Å; L222-L226 VanDerWaalsContact O-CG 3.27Å; L222-L226 WeakPolarHBondContact O-CG 3.4Å; L222-L226 PolarHBondContact O-N 3.39Å; L222-N287 HydrophobicContact CD2-CB 4.49Å; L222-N287 VanDerWaalsContact CD2-OD1 3.28Å; L222-N287 WeakPolarHBondContact CD2-OD1 3.47Å; L222-N538 HydrophobicContact CD2-CB 4.47Å; L222-A542 HydrophobicContact CB-CB 3.83Å; L222-A542 HydrophobicContact CD1-CB 3.69Å; L222-A542 HydrophobicContact CG-CB 4.29Å
223M69.7Low55.5Low66 Ų6697.9 Ų97.933%0.32552%0.519SS..Hα-helixtrans-65-37.4-179.4-66.1-65-76.500112.6S221 L226 R227 K294 A295S221-M223 PolarHBondContact O-N 2.9Å; S221-M223 VanDerWaalsContact O-N 3.14Å; M223-L226 PolarHBondContact O-N 3.4Å; M223-R227 WeakPolarHBondContact O-CG 3.37Å; M223-R227 PolarHBondContact O-N 3.44Å; M223-K294 HydrophobicContact CE-CB 3.96Å; M223-K294 HydrophobicContact CE-CD 4.16Å; M223-K294 HydrophobicContact CE-CG 3.72Å; M223-K294 HydrophobicContact SD-CB 4.4Å; M223-K294 HydrophobicContact SD-CD 4.44Å; M223-K294 HydrophobicContact SD-CG 4.46Å; M223-A295 VanDerWaalsContact CE-CA 3.45Å; M223-A295 HydrophobicContact CE-CB 3.93Å; M223-A295 HydrophobicContact SD-CB 4.12Å
224E72.7Confident58.7Low83 Ų8390.9 Ų90.939%0.38848%0.481SS..Hα-helixtrans-71.6-35.6176.7-71.3165.1148.500112.3R220 S221 L222 L226R220-E224 HydrophobicContact CB-CB 4.31Å; S221-E224 PolarHBondContact N-OE2 2.97Å; S221-E224 PolarHBondContact O-N 2.96Å; S221-E224 VanDerWaalsContact OG-CG 3.23Å; S221-E224 WeakPolarHBondContact OG-CG 3.37Å; S221-E224 PolarHBondContact OG-N 3.44Å; S221-E224 PolarHBondContact OG-OE2 3.39Å; L222-E224 PolarHBondContact O-N 3.42Å; E224-L226 VanDerWaalsContact C-N 3.29Å
225Q71.4Confident61.4Low65 Ų6594 Ų9430%0.30447%0.473SS..Hα-helixtrans-66.1-33.6174.1-67.4-179.7-17.700112R220 S221 L222 A542R220-Q225 HydrophobicContact CB-CG 4.22Å; S221-Q225 PolarHBondContact O-N 3.25Å; S221-Q225 VanDerWaalsContact O-N 3.12Å; L222-Q225 PolarHBondContact O-N 2.78Å; Q225-A542 PolarHBondContact NE2-O 2.88Å; Q225-A542 VanDerWaalsContact NE2-O 3.14Å; Q225-A542 PolarHBondContact OE1-O 2.69Å
226L71.1Confident64.5Low3 Ų388.4 Ų88.42%0.01645%0.446CS..THydrogen-bonded Turntrans-88.60.3-178.1-64.9179.6000114.3L222 M223 E224 G228 L231 F288 Y292 A295 N296 V546L222-L226 HydrophobicContact CD1-CD1 3.86Å; L222-L226 HydrophobicContact CD1-CG 4.18Å; L222-L226 HydrophobicContact CG-CD1 3.88Å; L222-L226 HydrophobicContact CG-CG 4.46Å; L222-L226 WeakPolarHBondContact O-CB 3.48Å; L222-L226 VanDerWaalsContact O-CG 3.27Å; L222-L226 WeakPolarHBondContact O-CG 3.4Å; L222-L226 PolarHBondContact O-N 3.39Å; M223-L226 PolarHBondContact O-N 3.4Å; E224-L226 VanDerWaalsContact C-N 3.29Å; L226-G228 PolarHBondContact O-N 3.16Å; L226-L231 HydrophobicContact CD2-CD1 4.15Å; L226-F288 HydrophobicContact CD2-CD2 3.57Å; L226-F288 HydrophobicContact CD2-CE2 3.76Å; L226-Y292 WeakPolarHBondContact O-CD2 3.43Å; L226-Y292 WeakPolarHBondContact O-CE2 3.28Å; L226-A295 HydrophobicContact CB-CB 3.94Å; L226-N296 PolarHBondContact O-ND2 3.5Å; L226-V546 HydrophobicContact CD2-CG2 4.14Å
227R68.8Low67.2Low142 Ų14278.1 Ų78.154%0.53640%0.403SS..SBendtrans-63.4133.2170.9-74.9-173-178.6169.93.3109.9M223 E229 A230 L231M223-R227 WeakPolarHBondContact O-CG 3.37Å; M223-R227 PolarHBondContact O-N 3.44Å; R227-E229 PolarHBondContact O-N 3.12Å; R227-A230 WeakPolarHBondContact O-CB 3.25Å; R227-A230 PolarHBondContact O-N 3.29Å; R227-L231 PolarHBondContact O-N 3.35Å
228G55.9Low70.4Confident11 Ų1176.4 Ų76.411%0.11339%0.389CS..Hα-helixtrans-54.7-29.2-173.500000114.8L226 A230 L231 K232 F233 N296L226-G228 PolarHBondContact O-N 3.16Å; G228-A230 VanDerWaalsContact C-N 3.34Å; G228-A230 PolarHBondContact O-N 2.98Å; G228-L231 PolarHBondContact O-N 3.39Å; G228-K232 PolarHBondContact O-N 3.33Å; G228-K232 VanDerWaalsContact O-N 3.08Å; G228-F233 PolarHBondContact O-N 3.45Å; G228-N296 PolarHBondContact N-OD1 2.87Å
229E57.5Low73.4Confident178 Ų17867 Ų6783%0.83235%0.345SS*.Hα-helixtrans-66.3-32.5175.7-63178.7172.600113.1R227R227-E229 PolarHBondContact O-N 3.12Å
230A59.6Low75.7Confident57 Ų5767.4 Ų67.447%0.47132%0.321SS..Hα-helixtrans-76.6-33.8178.700000112.2R227 G228R227-A230 WeakPolarHBondContact O-CB 3.25Å; R227-A230 PolarHBondContact O-N 3.29Å; G228-A230 VanDerWaalsContact C-N 3.34Å; G228-A230 PolarHBondContact O-N 2.98Å
231L68.8Low77.5Confident41 Ų4166.5 Ų66.522%0.21532%0.321CS..Hα-helixtrans-91.2-4.3-179.1-67170000113.7L226 R227 G228 F233 F288 Y292 V546L226-L231 HydrophobicContact CD2-CD1 4.15Å; R227-L231 PolarHBondContact O-N 3.35Å; G228-L231 PolarHBondContact O-N 3.39Å; L231-F233 HydrophobicContact CB-CD1 4.19Å; L231-F233 HydrophobicContact CB-CD2 4.16Å; L231-F233 HydrophobicContact CB-CE1 4.33Å; L231-F233 HydrophobicContact CB-CE2 4.29Å; L231-F233 HydrophobicContact CB-CG 4.1Å; L231-F233 HydrophobicContact CB-CZ 4.39Å; L231-F233 HydrophobicContact CD1-CD2 4.31Å; L231-F233 HydrophobicContact CD1-CE2 4.01Å; L231-F233 PolarHBondContact O-N 3.43Å; L231-F288 HydrophobicContact CD1-CE2 3.92Å; L231-F288 HydrophobicContact CD1-CZ 4.43Å; L231-Y292 HydrophobicContact CD1-CD2 4.1Å; L231-Y292 HydrophobicContact CD1-CE2 4.21Å; L231-V546 HydrophobicContact CD2-CB 4.12Å; L231-V546 HydrophobicContact CD2-CG1 4.33Å
232K80.6Confident78.5Confident190 Ų19064.5 Ų64.583%0.82631%0.306SS*.THydrogen-bonded Turntrans54.731.3-174.1-57.4-178.6179.71790113.5G228G228-K232 PolarHBondContact O-N 3.33Å; G228-K232 VanDerWaalsContact O-N 3.08Å
233F88Confident79.3Confident31 Ų3171 Ų7114%0.13634%0.336CS..PPolyproline II helixtrans-76153.2174.6-72.6-9.8000111.3G228 L231 F288 Y292 H455 L457 W484G228-F233 PolarHBondContact O-N 3.45Å; L231-F233 HydrophobicContact CB-CD1 4.19Å; L231-F233 HydrophobicContact CB-CD2 4.16Å; L231-F233 HydrophobicContact CB-CE1 4.33Å; L231-F233 HydrophobicContact CB-CE2 4.29Å; L231-F233 HydrophobicContact CB-CG 4.1Å; L231-F233 HydrophobicContact CB-CZ 4.39Å; L231-F233 HydrophobicContact CD1-CD2 4.31Å; L231-F233 HydrophobicContact CD1-CE2 4.01Å; L231-F233 PolarHBondContact O-N 3.43Å; F233-F288 HydrophobicContact CE2-CE2 4.49Å; F233-F288 AromaticContact CE2-CZ 3.77Å; F233-F288 HydrophobicContact CE2-CZ 3.77Å; F233-F288 AromaticContact CZ-CZ 3.81Å; F233-F288 HydrophobicContact CZ-CZ 3.81Å; F233-Y292 HydrophobicContact CD2-CD2 4.24Å; F233-Y292 HydrophobicContact CD2-CE1 4.39Å; F233-Y292 AromaticContact CD2-CE2 3.53Å; F233-Y292 HydrophobicContact CD2-CE2 3.53Å; F233-Y292 AromaticContact CD2-CZ 3.64Å; F233-Y292 HydrophobicContact CE2-CD2 4.44Å; F233-Y292 HydrophobicContact CE2-CE2 4.16Å; F233-H455 AromaticContact CD2-CD2 3.83Å; F233-L457 HydrophobicContact CE2-CD2 3.98Å; F233-L457 HydrophobicContact CZ-CD2 4.35Å; F233-W484 AromaticContact CD1-CD2 3.92Å; F233-W484 HydrophobicContact CD1-CD2 3.92Å; F233-W484 AromaticContact CD1-CE2 3.83Å; F233-W484 HydrophobicContact CD1-CE3 4.25Å; F233-W484 HydrophobicContact CD1-CG 4.39Å; F233-W484 HydrophobicContact CD1-CH2 4.4Å; F233-W484 HydrophobicContact CD1-CZ2 4.09Å; F233-W484 HydrophobicContact CD1-CZ3 4.48Å; F233-W484 HydrophobicContact CE1-CB 4.43Å; F233-W484 AromaticContact CE1-CD2 3.63Å; F233-W484 HydrophobicContact CE1-CD2 3.63Å; F233-W484 AromaticContact CE1-CE3 3.77Å; F233-W484 HydrophobicContact CE1-CE3 3.77Å; F233-W484 AromaticContact CE1-CG 3.94Å; F233-W484 HydrophobicContact CE1-CG 3.94Å; F233-W484 HydrophobicContact CE1-CZ3 4.3Å; F233-W484 HydrophobicContact CZ-CB 4.25Å; F233-W484 HydrophobicContact CZ-CD2 4.29Å; F233-W484 HydrophobicContact CZ-CG 4.13Å
234H89.4Confident80Confident15 Ų1570.2 Ų70.27%0.06935%0.345CS..PPolyproline II helixtrans-65.2151.9176.970.7-56.1000112.3T242 T454 H455 V482 W484H234-T242 HydrophobicContact CB-CG2 3.6Å; H234-T454 PolarHBondContact CE1-O 3.02Å; H234-T454 VanDerWaalsContact CE1-O 3.28Å; H234-T454 PolarHBondContact NE2-O 3Å; H234-H455 AromaticContact CE1-CD2 3.61Å; H234-H455 AromaticContact CE1-CE1 3.44Å; H234-H455 PolarHBondContact CE1-CE1 3.28Å; H234-H455 VanDerWaalsContact CE1-CE1 3.44Å; H234-H455 AromaticContact CE1-ND1 3.92Å; H234-H455 AromaticContact CE1-NE2 3.21Å; H234-H455 PolarHBondContact CE1-NE2 3.27Å; H234-H455 AromaticContact ND1-CD2 3.77Å; H234-H455 AromaticContact ND1-CE1 3.72Å; H234-H455 AromaticContact ND1-NE2 3.14Å; H234-H455 PolarHBondContact ND1-NE2 3.32Å; H234-H455 VanDerWaalsContact ND1-NE2 3.14Å; H234-H455 PolarHBondContact O-CE1 2.88Å; H234-H455 VanDerWaalsContact O-CE1 3.3Å; H234-H455 PolarHBondContact O-NE2 3.13Å; H234-H455 VanDerWaalsContact O-NE2 3.15Å; H234-V482 WeakPolarHBondContact NE2-CG2 3.15Å; H234-W484 AromaticContact ND1-NE1 3.74Å
235K89.9Confident80.9Confident142 Ų14267.4 Ų67.462%0.61733%0.331SS*.PPolyproline II helixtrans-74.8154.3168.4-64.2-179.6179.4-179.80109.8G237 E238K235-G237 PolarHBondContact O-N 3.41Å; K235-E238 HydrophobicContact CB-CG 4.1Å; K235-E238 WeakPolarHBondContact O-CB 3.25Å; K235-E238 PolarHBondContact O-N 3.04Å
236A88.5Confident81.9Confident20 Ų2067.9 Ų67.917%0.16534%0.338CS..THydrogen-bonded Turntrans-54.4127175.100000110.7E238 G264 I266 T454A236-E238 VanDerWaalsContact C-N 3.34Å; A236-G264 VanDerWaalsContact CB-O 3.28Å; A236-G264 WeakPolarHBondContact CB-O 3.39Å; A236-I266 HydrophobicContact CB-CD1 4.24Å; A236-T454 HydrophobicContact CB-CG2 4.18Å
237G88.4Confident83Confident7 Ų771.5 Ų71.57%0.07236%0.361CS..THydrogen-bonded Turntrans86.5-4.5-177.300000115.5K235K235-G237 PolarHBondContact O-N 3.41Å
238E93.2Very high84.2Confident55 Ų5566 Ų6626%0.25734%0.343SS..  trans-101.226.8176.6-56.9-165150.100113.1K235 A236 Y240 K241K235-E238 HydrophobicContact CB-CG 4.1Å; K235-E238 WeakPolarHBondContact O-CB 3.25Å; K235-E238 PolarHBondContact O-N 3.04Å; A236-E238 VanDerWaalsContact C-N 3.34Å; E238-Y240 HydrophobicContact CB-CE1 4.39Å; E238-Y240 PolarHBondContact O-N 3.28Å; E238-Y240 VanDerWaalsContact O-N 3.09Å; E238-K241 HydrophobicContact CB-CD 4.14Å; E238-K241 HydrophobicContact CB-CG 4.42Å; E238-K241 WeakPolarHBondContact O-CB 3.45Å; E238-K241 PolarHBondContact O-N 3.37Å; E238-K241 IonicContact OE1-NZ 3.37Å; E238-K241 PolarHBondContact OE1-NZ 3.01Å; E238-K241 WeakPolarHBondContact OE2-CE 3.4Å; E238-K241 IonicContact OE2-NZ 3.84Å; E238-K241 PolarHBondContact OE2-NZ 2.82Å
239N92.6Very high86Confident0 Ų072 Ų720%038%0.38CS..G310 helixtrans-52.3-36.9-176.3-56.638000112.2K241 T242 Y245 L255 Y479 C480 V482N239-K241 PolarHBondContact O-N 3Å; N239-K241 VanDerWaalsContact O-N 3.07Å; N239-T242 WeakPolarHBondContact O-CB 3.41Å; N239-T242 WeakPolarHBondContact O-CG2 3.29Å; N239-T242 PolarHBondContact O-N 2.84Å; N239-T242 PolarHBondContact O-OG1 2.87Å; N239-Y245 HydrophobicContact CB-CD2 4.21Å; N239-Y245 HydrophobicContact CB-CE1 4.14Å; N239-Y245 HydrophobicContact CB-CE2 3.64Å; N239-L255 HydrophobicContact CB-CD2 4.04Å; N239-Y479 PolarHBondContact ND2-OH 3.1Å; N239-C480 PolarHBondContact ND2-O 3.22Å; N239-V482 HydrophobicContact CB-CG2 3.57Å
240Y92.1Very high87.7Confident91 Ų9168.4 Ų68.436%0.35736%0.361SS..G310 helixtrans-62.3-12.518067.9-89.9000115.1E238 M252 L255E238-Y240 HydrophobicContact CB-CE1 4.39Å; E238-Y240 PolarHBondContact O-N 3.28Å; E238-Y240 VanDerWaalsContact O-N 3.09Å; Y240-M252 HydrophobicContact CD1-CE 4.28Å; Y240-M252 HydrophobicContact CD2-CE 4.27Å; Y240-M252 HydrophobicContact CG-CE 4.07Å; Y240-L255 HydrophobicContact CD1-CD1 3.8Å
241K92.1Very high89.3Confident115 Ų11565.9 Ų65.950%0.534%0.34SS..G310 helixtrans-86.1-10.6175.6-61.4-174.9-173.5170.40113.1E238 N239E238-K241 HydrophobicContact CB-CD 4.14Å; E238-K241 HydrophobicContact CB-CG 4.42Å; E238-K241 WeakPolarHBondContact O-CB 3.45Å; E238-K241 PolarHBondContact O-N 3.37Å; E238-K241 IonicContact OE1-NZ 3.37Å; E238-K241 PolarHBondContact OE1-NZ 3.01Å; E238-K241 WeakPolarHBondContact OE2-CE 3.4Å; E238-K241 IonicContact OE2-NZ 3.84Å; E238-K241 PolarHBondContact OE2-NZ 2.82Å; N239-K241 PolarHBondContact O-N 3Å; N239-K241 VanDerWaalsContact O-N 3.07Å
242T90.1Very high90.5Very high16 Ų1668.4 Ų68.410%0.09835%0.352CS..SBendtrans-83.2150.8-17564.90000112.1H234 N239 G244 Y245 V482 W484H234-T242 HydrophobicContact CB-CG2 3.6Å; N239-T242 WeakPolarHBondContact O-CB 3.41Å; N239-T242 WeakPolarHBondContact O-CG2 3.29Å; N239-T242 PolarHBondContact O-N 2.84Å; N239-T242 PolarHBondContact O-OG1 2.87Å; T242-G244 PolarHBondContact O-N 3.02Å; T242-Y245 WeakPolarHBondContact O-CB 3.17Å; T242-Y245 PolarHBondContact O-N 3.19Å; T242-V482 HydrophobicContact CG2-CG1 3.98Å; T242-V482 HydrophobicContact CG2-CG2 4.1Å; T242-W484 HydrophobicContact CG2-CZ2 4.04Å
243E85.1Confident91.2Very high162 Ų16263 Ų6376%0.75733%0.332SS*.THydrogen-bonded Turntrans-65.3132.2-177.3-167.9-177.4171.700111.6Y245E243-Y245 VanDerWaalsContact C-N 3.26Å; E243-Y245 PolarHBondContact O-N 3.31Å
244G85.5Confident91.5Very high51 Ų5163.2 Ų63.253%0.52633%0.334SS..THydrogen-bonded Turntrans78.9-0.8-179.800000115.1T242 Y470T242-G244 PolarHBondContact O-N 3.02Å; G244-Y470 VanDerWaalsContact O-CD2 3.28Å; G244-Y470 WeakPolarHBondContact O-CD2 3.45Å; G244-Y470 WeakPolarHBondContact O-CE2 3.37Å
245Y91.4Very high91.7Very high23 Ų2362.8 Ų62.89%0.0933%0.333CS..  trans-73.4129.7178.1-162.1-89.5000111.6N239 T242 E243 T251 Y470 C480 V482N239-Y245 HydrophobicContact CB-CD2 4.21Å; N239-Y245 HydrophobicContact CB-CE1 4.14Å; N239-Y245 HydrophobicContact CB-CE2 3.64Å; T242-Y245 WeakPolarHBondContact O-CB 3.17Å; T242-Y245 PolarHBondContact O-N 3.19Å; E243-Y245 VanDerWaalsContact C-N 3.26Å; E243-Y245 PolarHBondContact O-N 3.31Å; Y245-T251 HydrophobicContact CE1-CG2 3.9Å; Y245-Y470 HydrophobicContact CD2-CE1 4.34Å; Y245-C480 HydrophobicContact CE2-CB 3.99Å; Y245-C480 WeakPolarHBondContact CE2-O 3.42Å; Y245-C480 WeakPolarHBondContact OH-CB 3.09Å; Y245-C480 PolarHBondContact OH-O 2.89Å; Y245-V482 HydrophobicContact CD2-CG2 4.19Å; Y245-V482 HydrophobicContact CE2-CG2 4.22Å
246V92.4Very high91.8Very high75 Ų7562.7 Ų62.746%0.45533%0.328SS..  trans-94123.5-177.3-178.10000110.1T248 N474V246-T248 HydrophobicContact CG1-CG2 4.42Å; V246-N474 WeakPolarHBondContact CB-ND2 3.49Å
247V93.3Very high92Very high80 Ų8068.3 Ų68.349%0.48535%0.349SS..  trans-93.9105175.1-1750000109.3T251 M252V247-T251 HydrophobicContact CG1-CG2 4.27Å; V247-M252 HydrophobicContact CG1-CE 4.35Å
248T93.7Very high92.2Very high26 Ų2668 Ų6816%0.1635%0.346CS..  trans-86.4165.9171.975.60000110.4V246 K250 T251 N474V246-T248 HydrophobicContact CG1-CG2 4.42Å; T248-K250 PolarHBondContact O-N 3.29Å; T248-K250 VanDerWaalsContact O-N 3.1Å; T248-K250 PolarHBondContact OG1-N 2.79Å; T248-T251 PolarHBondContact N-OG1 2.84Å; T248-T251 WeakPolarHBondContact O-CB 3.31Å; T248-T251 PolarHBondContact O-N 2.82Å; T248-T251 VanDerWaalsContact O-N 3.07Å; T248-T251 PolarHBondContact O-OG1 3.22Å; T248-T251 PolarHBondContact OG1-N 2.69Å; T248-T251 PolarHBondContact OG1-OG1 2.85Å; T248-N474 HydrophobicContact CG2-CB 4.19Å
249P94.8Very high92.2Very high137 Ų13768.9 Ų68.989%0.8935%0.352SS*.THydrogen-bonded Turntrans-56.2-26.8174.9-26.836.1000114.3
250K93.3Very high92Very high102 Ų10274.3 Ų74.344%0.44338%0.377SS..THydrogen-bonded Turntrans-92.4-11.4-179.8-68.3177.4-178.7172.40113.7T248 M252 D253 L254 D477T248-K250 PolarHBondContact O-N 3.29Å; T248-K250 VanDerWaalsContact O-N 3.1Å; T248-K250 PolarHBondContact OG1-N 2.79Å; K250-M252 VanDerWaalsContact C-N 3.32Å; K250-M252 PolarHBondContact O-N 3.05Å; K250-D253 PolarHBondContact O-N 3.18Å; K250-D253 VanDerWaalsContact O-N 3.12Å; K250-L254 HydrophobicContact CB-CD1 4.06Å; K250-L254 HydrophobicContact CB-CG 4.42Å; K250-L254 WeakPolarHBondContact O-CG 3.41Å; K250-L254 PolarHBondContact O-N 2.88Å; K250-D477 HydrophobicContact CD-CB 3.72Å; K250-D477 VanDerWaalsContact NZ-CG 3.3Å; K250-D477 IonicContact NZ-OD1 3.85Å; K250-D477 IonicContact NZ-OD2 3.54Å; K250-D477 PolarHBondContact NZ-OD2 3.26Å
251T91.9Very high91.9Very high4 Ų473.4 Ų73.43%0.02538%0.375CS..Hα-helixtrans-56.4-42.8-171.6-67.40000112.7Y245 V247 T248 D253 L254 L255Y245-T251 HydrophobicContact CE1-CG2 3.9Å; V247-T251 HydrophobicContact CG1-CG2 4.27Å; T248-T251 PolarHBondContact N-OG1 2.84Å; T248-T251 WeakPolarHBondContact O-CB 3.31Å; T248-T251 PolarHBondContact O-N 2.82Å; T248-T251 VanDerWaalsContact O-N 3.07Å; T248-T251 PolarHBondContact O-OG1 3.22Å; T248-T251 PolarHBondContact OG1-N 2.69Å; T248-T251 PolarHBondContact OG1-OG1 2.85Å; T251-D253 PolarHBondContact O-N 2.98Å; T251-L254 PolarHBondContact O-N 3.17Å; T251-L255 HydrophobicContact CG2-CD1 3.96Å; T251-L255 HydrophobicContact CG2-CG 4.42Å; T251-L255 WeakPolarHBondContact O-CB 3.2Å; T251-L255 VanDerWaalsContact O-CG 3.31Å; T251-L255 WeakPolarHBondContact O-CG 3.5Å; T251-L255 PolarHBondContact O-N 2.78Å
252M94.1Very high91.8Very high94 Ų9468 Ų6846%0.46335%0.352SS..Hα-helixtrans-69.3-34.4-178.8-65.5-60.3176.600112.9Y240 V247 K250 L255 R256Y240-M252 HydrophobicContact CD1-CE 4.28Å; Y240-M252 HydrophobicContact CD2-CE 4.27Å; Y240-M252 HydrophobicContact CG-CE 4.07Å; V247-M252 HydrophobicContact CG1-CE 4.35Å; K250-M252 VanDerWaalsContact C-N 3.32Å; K250-M252 PolarHBondContact O-N 3.05Å; M252-L255 HydrophobicContact SD-CD1 4.4Å; M252-R256 PolarHBondContact O-N 2.81Å; M252-R256 VanDerWaalsContact O-N 3.07Å
253D94.6Very high91.7Very high78 Ų7870 Ų7042%0.41738%0.375SS..Hα-helixtrans-72.1-38.5175.3-70.6-25.6000111.4K250 T251 R256 K257K250-D253 PolarHBondContact O-N 3.18Å; K250-D253 VanDerWaalsContact O-N 3.12Å; T251-D253 PolarHBondContact O-N 2.98Å; D253-R256 WeakPolarHBondContact O-CB 3.47Å; D253-R256 PolarHBondContact O-N 2.82Å; D253-R256 IonicContact OD1-CZ 2.76Å; D253-R256 IonicContact OD1-NH1 2.88Å; D253-R256 IonicContact OD1-NH2 3.99Å; D253-R256 PolarHBondContact OD1-NH2 2.86Å; D253-K257 WeakPolarHBondContact O-CG 3.22Å; D253-K257 PolarHBondContact O-N 3.39Å
254L94.6Very high91.9Very high34 Ų3463.9 Ų63.918%0.17836%0.356CS..Hα-helixtrans-63.8-43.2174.5-69.2166.1000111.7K250 T251 R256 K257 H258 D477K250-L254 HydrophobicContact CB-CD1 4.06Å; K250-L254 HydrophobicContact CB-CG 4.42Å; K250-L254 WeakPolarHBondContact O-CG 3.41Å; K250-L254 PolarHBondContact O-N 2.88Å; T251-L254 PolarHBondContact O-N 3.17Å; L254-R256 VanDerWaalsContact C-N 3.32Å; L254-R256 PolarHBondContact O-N 2.82Å; L254-K257 PolarHBondContact O-N 3.43Å; L254-H258 VanDerWaalsContact O-CB 3.31Å; L254-H258 WeakPolarHBondContact O-CB 3.47Å; L254-H258 PolarHBondContact O-N 3.04Å; L254-D477 WeakPolarHBondContact CD1-O 3.41Å
255L93.8Very high92.2Very high6 Ų662.8 Ų62.83%0.03134%0.337CS..Hα-helixtrans-64.4-37175.3-72.7171.5000112N239 Y240 T251 M252 H258 I259 Y479N239-L255 HydrophobicContact CB-CD2 4.04Å; Y240-L255 HydrophobicContact CD1-CD1 3.8Å; T251-L255 HydrophobicContact CG2-CD1 3.96Å; T251-L255 HydrophobicContact CG2-CG 4.42Å; T251-L255 WeakPolarHBondContact O-CB 3.2Å; T251-L255 VanDerWaalsContact O-CG 3.31Å; T251-L255 WeakPolarHBondContact O-CG 3.5Å; T251-L255 PolarHBondContact O-N 2.78Å; M252-L255 HydrophobicContact SD-CD1 4.4Å; L255-H258 WeakPolarHBondContact O-CB 3.38Å; L255-H258 PolarHBondContact O-N 3.46Å; L255-I259 VanDerWaalsContact O-CG1 3.32Å; L255-I259 WeakPolarHBondContact O-CG1 3.31Å; L255-I259 PolarHBondContact O-N 3.31Å; L255-Y479 HydrophobicContact CD2-CD2 4.34Å; L255-Y479 HydrophobicContact CD2-CE2 3.91Å
256R93.1Very high92.3Very high140 Ų14062.5 Ų62.553%0.52834%0.337SS..Hα-helixtrans-61-50.8174-168.2-170.8-5014417.7111.3M252 D253 L254 H258 I259 E260M252-R256 PolarHBondContact O-N 2.81Å; M252-R256 VanDerWaalsContact O-N 3.07Å; D253-R256 WeakPolarHBondContact O-CB 3.47Å; D253-R256 PolarHBondContact O-N 2.82Å; D253-R256 IonicContact OD1-CZ 2.76Å; D253-R256 IonicContact OD1-NH1 2.88Å; D253-R256 IonicContact OD1-NH2 3.99Å; D253-R256 PolarHBondContact OD1-NH2 2.86Å; L254-R256 VanDerWaalsContact C-N 3.32Å; L254-R256 PolarHBondContact O-N 2.82Å; R256-H258 VanDerWaalsContact C-N 3.28Å; R256-H258 PolarHBondContact O-N 2.81Å; R256-I259 PolarHBondContact O-N 2.82Å; R256-E260 WeakPolarHBondContact O-CG 3.27Å; R256-E260 PolarHBondContact O-N 2.94Å
257K92.6Very high92.5Very high139 Ų13959.3 Ų59.360%0.60432%0.317SS*.Hα-helixtrans-59.1-39.9176.2-70.7178.4-179.2-178.20112.1D253 L254 E260 F261D253-K257 WeakPolarHBondContact O-CG 3.22Å; D253-K257 PolarHBondContact O-N 3.39Å; L254-K257 PolarHBondContact O-N 3.43Å; K257-E260 PolarHBondContact O-N 3.37Å; K257-F261 WeakPolarHBondContact O-CB 3.37Å; K257-F261 PolarHBondContact O-N 2.92Å
258H92.8Very high92.7Very high1 Ų155.5 Ų55.51%0.00529%0.294CS..Hα-helixtrans-62.6-45.5175.9168.674.7000112.1L254 L255 R256 E260 F261 T262 N452 Y479L254-H258 VanDerWaalsContact O-CB 3.31Å; L254-H258 WeakPolarHBondContact O-CB 3.47Å; L254-H258 PolarHBondContact O-N 3.04Å; L255-H258 WeakPolarHBondContact O-CB 3.38Å; L255-H258 PolarHBondContact O-N 3.46Å; R256-H258 VanDerWaalsContact C-N 3.28Å; R256-H258 PolarHBondContact O-N 2.81Å; H258-E260 VanDerWaalsContact C-N 3.35Å; H258-F261 PolarHBondContact O-N 3.3Å; H258-T262 WeakPolarHBondContact O-CB 3.37Å; H258-T262 VanDerWaalsContact O-CG2 3.32Å; H258-T262 WeakPolarHBondContact O-CG2 3.42Å; H258-T262 PolarHBondContact O-N 2.84Å; H258-T262 PolarHBondContact O-OG1 3.24Å; H258-N452 PolarHBondContact CE1-O 3.44Å; H258-N452 PolarHBondContact ND1-OD1 2.94Å; H258-Y479 HydrophobicContact CB-CD2 3.74Å; H258-Y479 HydrophobicContact CB-CE2 3.86Å; H258-Y479 HydrophobicContact CB-CG 4.32Å; H258-Y479 AromaticContact CD2-CE2 3.67Å; H258-Y479 AromaticContact CD2-CZ 3.9Å; H258-Y479 AromaticContact CE1-CE1 3.77Å; H258-Y479 AromaticContact CE1-CE2 3.88Å; H258-Y479 AromaticContact CE1-CZ 3.34Å; H258-Y479 PolarHBondContact CE1-OH 3.31Å; H258-Y479 AromaticContact CG-CD2 3.78Å; H258-Y479 AromaticContact CG-CE2 3.4Å; H258-Y479 VanDerWaalsContact CG-CE2 3.4Å; H258-Y479 AromaticContact CG-CZ 3.7Å; H258-Y479 AromaticContact ND1-CD2 3.99Å; H258-Y479 AromaticContact ND1-CE1 3.61Å; H258-Y479 AromaticContact ND1-CE2 3.56Å; H258-Y479 AromaticContact ND1-CZ 3.36Å; H258-Y479 AromaticContact NE2-CE2 3.95Å; H258-Y479 AromaticContact NE2-CZ 3.68Å; H258-Y479 PolarHBondContact NE2-OH 3.1Å
259I92.6Very high92.9Very high73 Ų7354.6 Ų54.637%0.37429%0.287SS..Hα-helixtrans-65.2-40.4176.1-66.7169.6000110.6L255 R256 F261 T262 G263L255-I259 VanDerWaalsContact O-CG1 3.32Å; L255-I259 WeakPolarHBondContact O-CG1 3.31Å; L255-I259 PolarHBondContact O-N 3.31Å; R256-I259 PolarHBondContact O-N 2.82Å; I259-F261 VanDerWaalsContact C-N 3.29Å; I259-F261 PolarHBondContact O-N 2.84Å; I259-T262 PolarHBondContact O-N 2.69Å; I259-G263 VanDerWaalsContact O-CA 3.32Å; I259-G263 WeakPolarHBondContact O-CA 3.16Å; I259-G263 PolarHBondContact O-N 3.4Å
260E89.1Confident93Very high113 Ų11348.5 Ų48.553%0.52825%0.247SC..Hα-helixtrans-61.1-38.3175.5-73.2168.3-175.500112.1R256 K257 H258R256-E260 WeakPolarHBondContact O-CG 3.27Å; R256-E260 PolarHBondContact O-N 2.94Å; K257-E260 PolarHBondContact O-N 3.37Å; H258-E260 VanDerWaalsContact C-N 3.35Å
261F89.3Confident93Very high72 Ų7244.8 Ų44.832%0.31623%0.233SC..Hα-helixtrans-72.9-41.2177.2-175.8-91.9000112.9P178 K257 H258 I259 N452P178-F261 HydrophobicContact CB-CD2 4.47Å; P178-F261 HydrophobicContact CG-CD2 3.89Å; K257-F261 WeakPolarHBondContact O-CB 3.37Å; K257-F261 PolarHBondContact O-N 2.92Å; H258-F261 PolarHBondContact O-N 3.3Å; I259-F261 VanDerWaalsContact C-N 3.29Å; I259-F261 PolarHBondContact O-N 2.84Å; F261-N452 HydrophobicContact CD1-CB 3.96Å; F261-N452 HydrophobicContact CE1-CB 4.22Å
262T89.9Confident93.1Very high2 Ų245 Ų451%0.01224%0.235CC..Hα-helixtrans-94-14.4-172.658.70000114.1H258 I259 G264 Q265 R267 N452H258-T262 WeakPolarHBondContact O-CB 3.37Å; H258-T262 VanDerWaalsContact O-CG2 3.32Å; H258-T262 WeakPolarHBondContact O-CG2 3.42Å; H258-T262 PolarHBondContact O-N 2.84Å; H258-T262 PolarHBondContact O-OG1 3.24Å; I259-T262 PolarHBondContact O-N 2.69Å; T262-G264 PolarHBondContact O-N 3.25Å; T262-G264 PolarHBondContact OG1-N 2.95Å; T262-Q265 WeakPolarHBondContact O-CB 3.31Å; T262-Q265 PolarHBondContact O-N 3.43Å; T262-Q265 VanDerWaalsContact O-N 3.11Å; T262-R267 VanDerWaalsContact CG2-CD 3.4Å; T262-N452 HydrophobicContact CG2-CB 3.82Å
263G88.1Confident92.8Very high58 Ų5845.6 Ų45.660%0.59824%0.237SC*.THydrogen-bonded Turntrans65.515-170.300000113.5I259 Q265I259-G263 VanDerWaalsContact O-CA 3.32Å; I259-G263 WeakPolarHBondContact O-CA 3.16Å; I259-G263 PolarHBondContact O-N 3.4Å; G263-Q265 VanDerWaalsContact C-N 3.31Å
264G88.4Confident92.3Very high34 Ų3442.1 Ų42.135%0.35122%0.218SC..THydrogen-bonded Turntrans7714.6-17200000114.2A236 T262A236-G264 VanDerWaalsContact CB-O 3.28Å; A236-G264 WeakPolarHBondContact CB-O 3.39Å; T262-G264 PolarHBondContact O-N 3.25Å; T262-G264 PolarHBondContact OG1-N 2.95Å
265Q91.8Very high91.7Very high28 Ų2841.3 Ų41.313%0.13121%0.214CC..  trans-73.4143.4177.3-170.3177.241.700111.9H174 T262 G263 N297H174-Q265 PolarHBondContact CE1-OE1 3.25Å; H174-Q265 PolarHBondContact NE2-OE1 2.72Å; T262-Q265 WeakPolarHBondContact O-CB 3.31Å; T262-Q265 PolarHBondContact O-N 3.43Å; T262-Q265 VanDerWaalsContact O-N 3.11Å; G263-Q265 VanDerWaalsContact C-N 3.31Å; Q265-N297 PolarHBondContact NE2-O 2.93Å
266I94.2Very high91Very high16 Ų1641.9 Ų41.98%0.08222%0.221CC..  trans-70.7134.5172.1-62.9-66.9000110A236 T268 Y292 N296 G298 I299A236-I266 HydrophobicContact CB-CD1 4.24Å; I266-T268 HydrophobicContact CG2-CG2 4.45Å; I266-Y292 HydrophobicContact CG2-CD1 3.91Å; I266-Y292 HydrophobicContact CG2-CE1 3.66Å; I266-N296 HydrophobicContact CB-CB 4.48Å; I266-N296 HydrophobicContact CG1-CB 3.94Å; I266-G298 CarbonylContact O-C 3.57Å; I266-G298 WeakPolarHBondContact O-CA 3.32Å; I266-I299 PolarHBondContact O-N 2.9Å
267R97.3Very high90.7Very high8 Ų835.8 Ų35.83%0.0320%0.199CC..EExtended strand (participates in β ladder)trans-133.5118.8-179.3-61.3171.680.9109.8-3.7108.8T262 I299 Y301 E451 N452 I453 T454 H455T262-R267 VanDerWaalsContact CG2-CD 3.4Å; R267-I299 WeakPolarHBondContact CA-O 3.43Å; R267-I299 HydrophobicContact CB-CG1 4.38Å; R267-I299 HydrophobicContact CG-CD1 4.04Å; R267-I299 HydrophobicContact CG-CG1 3.74Å; R267-Y301 PolarHBondContact NH2-OH 3.4Å; R267-E451 PolarHBondContact NE-O 3.25Å; R267-N452 WeakPolarHBondContact CD-O 3.24Å; R267-I453 HydrophobicContact CB-CD1 4.46Å; R267-T454 HydrophobicContact CB-CG2 4.46Å; R267-T454 PolarHBondContact N-OG1 3.36Å; R267-T454 PolarHBondContact O-N 3.35Å; R267-T454 PolarHBondContact O-OG1 3.3Å; R267-H455 PolarHBondContact O-N 2.85Å
268T97.4Very high90.7Very high0 Ų029.6 Ų29.60%017%0.173CC..EExtended strand (participates in β ladder)trans-119173175.256.40000110.1I266 N289 Y292 I299 C300 Y301 H455 L457I266-T268 HydrophobicContact CG2-CG2 4.45Å; T268-N289 PolarHBondContact OG1-O 3.49Å; T268-Y292 HydrophobicContact CG2-CD1 3.88Å; T268-I299 PolarHBondContact N-O 3.14Å; T268-C300 WeakPolarHBondContact O-CA 3.47Å; T268-C300 VanDerWaalsContact OG1-CB 3.26Å; T268-C300 WeakPolarHBondContact OG1-CB 3.3Å; T268-C300 PolarHBondContact OG1-SG 2.96Å; T268-C300 VanDerWaalsContact OG1-SG 3.33Å; T268-Y301 PolarHBondContact O-N 3.25Å; T268-H455 HydrophobicContact CG2-CB 3.98Å; T268-L457 HydrophobicContact CG2-CD1 4.26Å
269R97.4Very high90.7Very high8 Ų830.2 Ų30.23%0.0318%0.176CC..EExtended strand (participates in β ladder)trans-147.3141.5171.978.6-62.8-178-93.3-3.3111.7P271 N289 Y301 D448 I453 S456 L457R269-P271 HydrophobicContact CG-CB 4.46Å; R269-P271 HydrophobicContact CG-CG 4.34Å; R269-P271 WeakPolarHBondContact O-CD 3.29Å; R269-N289 VanDerWaalsContact O-CG 3.27Å; R269-N289 PolarHBondContact O-OD1 3.16Å; R269-Y301 CarbonylContact C-O 3.47Å; R269-Y301 WeakPolarHBondContact CA-O 3.42Å; R269-D448 WeakPolarHBondContact CD-OD1 3.25Å; R269-D448 IonicContact CZ-OD1 2.85Å; R269-D448 IonicContact CZ-OD2 3.36Å; R269-D448 IonicContact NE-OD1 3.6Å; R269-D448 PolarHBondContact NE-OD1 3.09Å; R269-D448 IonicContact NE-OD2 3.76Å; R269-D448 PolarHBondContact NE-OD2 2.88Å; R269-D448 IonicContact NH2-OD1 2.7Å; R269-D448 IonicContact NH2-OD2 3.64Å; R269-D448 PolarHBondContact NH2-OD2 3.09Å; R269-I453 HydrophobicContact CB-CD1 4Å; R269-I453 HydrophobicContact CG-CD1 4.43Å; R269-S456 PolarHBondContact NH2-OG 2.84Å; R269-L457 PolarHBondContact NH1-O 2.99Å; R269-L457 VanDerWaalsContact NH1-O 3.08Å
270F96.6Very high90.6Very high8 Ų826.8 Ų26.84%0.03516%0.158CC..EExtended strand (participates in β ladder)trans-104.1111.1166.1176.1-122.8000108.4P272 L278 A285 I286 N289 F290 Y301 L302 R303 V324F270-P272 VanDerWaalsContact C-CD 3.42Å; F270-P272 HydrophobicContact CD1-CG 4.06Å; F270-P272 HydrophobicContact CE1-CB 3.99Å; F270-P272 HydrophobicContact CE1-CG 3.68Å; F270-P272 HydrophobicContact CZ-CB 3.96Å; F270-P272 HydrophobicContact CZ-CG 4.16Å; F270-P272 WeakPolarHBondContact O-CD 3.28Å; F270-L278 HydrophobicContact CZ-CD2 4.05Å; F270-A285 HydrophobicContact CD2-CB 4.12Å; F270-A285 HydrophobicContact CE2-CB 3.8Å; F270-I286 HydrophobicContact CD1-CG1 4Å; F270-I286 HydrophobicContact CD2-CG1 4.34Å; F270-I286 HydrophobicContact CE1-CD1 4.07Å; F270-I286 HydrophobicContact CE1-CG1 3.69Å; F270-I286 HydrophobicContact CE2-CG1 4.07Å; F270-I286 HydrophobicContact CG-CG1 4.32Å; F270-I286 HydrophobicContact CZ-CD1 4.18Å; F270-I286 HydrophobicContact CZ-CG1 3.74Å; F270-N289 HydrophobicContact CB-CB 4.35Å; F270-F290 HydrophobicContact CB-CD2 4.27Å; F270-F290 HydrophobicContact CB-CE2 3.49Å; F270-F290 VanDerWaalsContact CB-CE2 3.49Å; F270-F290 HydrophobicContact CB-CZ 4.08Å; F270-F290 AromaticContact CD1-CE2 3.98Å; F270-F290 HydrophobicContact CD1-CE2 3.98Å; F270-F290 HydrophobicContact CG-CE2 4.01Å; F270-Y301 PolarHBondContact N-O 3.45Å; F270-L302 HydrophobicContact CD1-CD1 3.76Å; F270-L302 HydrophobicContact CE1-CD1 4.36Å; F270-R303 PolarHBondContact O-N 3.1Å; F270-V324 HydrophobicContact CD1-CG2 4.2Å; F270-V324 HydrophobicContact CE1-CG2 4.23Å
271P94.5Very high90.6Very high24 Ų2422 Ų2216%0.15614%0.139CC..  trans-112.675.7-172.640.7-31.7000114.3R269 R303R269-P271 HydrophobicContact CG-CB 4.46Å; R269-P271 HydrophobicContact CG-CG 4.34Å; R269-P271 WeakPolarHBondContact O-CD 3.29Å; P271-R303 CarbonylContact C-O 3.56Å; P271-R303 WeakPolarHBondContact CA-O 3.37Å; P271-R303 HydrophobicContact CB-CB 4.39Å; P271-R303 WeakPolarHBondContact CB-O 3.5Å
272P92.3Very high90.8Very high10 Ų1021.2 Ų21.27%0.06514%0.136CC..  trans-77.7151.1179.533.4-35.1000112.1F270 L278 L302 D305 I320F270-P272 VanDerWaalsContact C-CD 3.42Å; F270-P272 HydrophobicContact CD1-CG 4.06Å; F270-P272 HydrophobicContact CE1-CB 3.99Å; F270-P272 HydrophobicContact CE1-CG 3.68Å; F270-P272 HydrophobicContact CZ-CB 3.96Å; F270-P272 HydrophobicContact CZ-CG 4.16Å; F270-P272 WeakPolarHBondContact O-CD 3.28Å; P272-L278 HydrophobicContact CB-CD2 4.36Å; P272-L302 HydrophobicContact CG-CD1 3.91Å; P272-D305 PolarHBondContact O-N 3.37Å; P272-I320 HydrophobicContact CB-CD1 4.31Å; P272-I320 HydrophobicContact CB-CG2 4.41Å; P272-I320 HydrophobicContact CG-CD1 4.4Å; P272-I320 HydrophobicContact CG-CG2 3.68Å
273E89Confident90.9Very high106 Ų10621.1 Ų21.150%0.49514%0.135SC..  trans-67.3132.8165.9-63178.6-162.500109.4N275 G276 D305 I320E273-N275 VanDerWaalsContact CB-OD1 3.24Å; E273-N275 WeakPolarHBondContact CB-OD1 3.43Å; E273-N275 PolarHBondContact O-N 3.31Å; E273-N275 VanDerWaalsContact O-N 3.16Å; E273-N275 PolarHBondContact OE2-OD1 3.14Å; E273-G276 PolarHBondContact O-N 2.98Å; E273-D305 HydrophobicContact CG-CB 4.48Å; E273-I320 WeakPolarHBondContact O-CD1 3.27Å
274P84.8Confident91Very high5 Ų518.7 Ų18.73%0.03211%0.108CC..THydrogen-bonded Turntrans-69.3-11.1-175.929.8-37.3000113.7Y304 D305 D306 E312 Y316P274-Y304 HydrophobicContact CB-CD1 3.77Å; P274-Y304 HydrophobicContact CB-CG 4.45Å; P274-D305 WeakPolarHBondContact CD-O 3.32Å; P274-D306 HydrophobicContact CG-CB 4.05Å; P274-E312 VanDerWaalsContact CG-CD 3.44Å; P274-E312 HydrophobicContact CG-CG 4.35Å; P274-E312 WeakPolarHBondContact CG-OE1 3.25Å; P274-Y316 WeakPolarHBondContact O-CB 3.34Å
275N81.6Confident91.1Very high16 Ų1617.5 Ų17.59%0.08610%0.095CC..THydrogen-bonded Turntrans-98.4-0.2175.469.5-5.7000112.1E273 E310 K498E273-N275 VanDerWaalsContact CB-OD1 3.24Å; E273-N275 WeakPolarHBondContact CB-OD1 3.43Å; E273-N275 PolarHBondContact O-N 3.31Å; E273-N275 VanDerWaalsContact O-N 3.16Å; E273-N275 PolarHBondContact OE2-OD1 3.14Å; N275-E310 PolarHBondContact ND2-OE2 3.27Å; N275-K498 WeakPolarHBondContact O-CE 3.37Å; N275-K498 PolarHBondContact O-NZ 3.42Å
276G78.8Confident91.2Very high18 Ų1816.1 Ų16.119%0.1869%0.089CC..  trans-84.2148.8-168.100000113.3E273E273-G276 PolarHBondContact O-N 2.98Å
277I86.3Confident91.1Very high12 Ų1215.5 Ų15.56%0.0629%0.085CC..  trans-95.6114.9170.9-57.1174000108.2Y316 K498 I501 W516 T523I277-Y316 HydrophobicContact CG1-CD1 4.48Å; I277-Y316 HydrophobicContact CG1-CE1 3.92Å; I277-K498 HydrophobicContact CD1-CG 4.28Å; I277-I501 HydrophobicContact CD1-CG2 4.28Å; I277-W516 HydrophobicContact CD1-CB 3.96Å; I277-W516 HydrophobicContact CD1-CD2 4.01Å; I277-W516 HydrophobicContact CD1-CE3 4.3Å; I277-W516 HydrophobicContact CD1-CG 3.81Å; I277-W516 HydrophobicContact CG1-CD2 4.29Å; I277-W516 HydrophobicContact CG1-CG 4.27Å; I277-W516 HydrophobicContact CG2-CG 4.08Å; I277-T523 HydrophobicContact CG2-CG2 3.51Å
278L92.5Very high90.8Very high10 Ų1015.4 Ų15.45%0.0529%0.085CC..  trans-68.6141.1175.6-60-176.9000110.8F270 P272 H282 I286 I320 M323 T523 L524F270-L278 HydrophobicContact CZ-CD2 4.05Å; P272-L278 HydrophobicContact CB-CD2 4.36Å; L278-H282 HydrophobicContact CB-CB 4.32Å; L278-H282 HydrophobicContact CD2-CB 3.95Å; L278-I286 HydrophobicContact CD1-CD1 4.33Å; L278-I320 HydrophobicContact CD1-CB 4.19Å; L278-I320 HydrophobicContact CD1-CG1 3.97Å; L278-I320 HydrophobicContact CD1-CG2 4.2Å; L278-I320 HydrophobicContact CD2-CG1 4.3Å; L278-I320 HydrophobicContact CG-CG1 3.9Å; L278-M323 HydrophobicContact CD1-CB 3.88Å; L278-M323 HydrophobicContact CD1-CG 4.36Å; L278-T523 CarbonylContact O-C 3.4Å; L278-T523 VanDerWaalsContact O-CA 3.28Å; L278-T523 WeakPolarHBondContact O-CA 3.46Å; L278-T523 WeakPolarHBondContact O-CB 3.28Å; L278-L524 HydrophobicContact CB-CB 4.39Å; L278-L524 HydrophobicContact CB-CD1 3.92Å; L278-L524 HydrophobicContact CB-CG 4.23Å; L278-L524 HydrophobicContact CD1-CD1 4.35Å; L278-L524 PolarHBondContact O-N 3.49Å
279H92.1Very high90.6Very high14 Ų1415.5 Ų15.57%0.0659%0.086CC..BIsolated β-bridgetrans-137.2172.8-176.561.254.1000110.3G281 H282 A283 V496 F522H279-G281 WeakPolarHBondContact ND1-CA 3.42Å; H279-G281 PolarHBondContact ND1-N 3.35Å; H279-G281 VanDerWaalsContact ND1-N 3.1Å; H279-G281 PolarHBondContact O-N 3.37Å; H279-H282 AromaticContact CD2-CE1 3.48Å; H279-H282 PolarHBondContact CD2-CE1 3.37Å; H279-H282 VanDerWaalsContact CD2-CE1 3.48Å; H279-H282 AromaticContact CD2-ND1 3.41Å; H279-H282 PolarHBondContact CD2-ND1 3.04Å; H279-H282 AromaticContact CE1-CE1 3.53Å; H279-H282 AromaticContact CE1-ND1 3.27Å; H279-H282 PolarHBondContact CE1-ND1 3.2Å; H279-H282 VanDerWaalsContact CE1-ND1 3.27Å; H279-H282 AromaticContact CG-CE1 3.93Å; H279-H282 AromaticContact CG-ND1 3.36Å; H279-H282 PolarHBondContact N-ND1 2.97Å; H279-H282 VanDerWaalsContact N-ND1 3.19Å; H279-H282 AromaticContact ND1-CE1 3.94Å; H279-H282 PolarHBondContact ND1-N 2.94Å; H279-H282 AromaticContact ND1-ND1 3.26Å; H279-H282 PolarHBondContact ND1-ND1 3.13Å; H279-H282 AromaticContact NE2-CE1 3.24Å; H279-H282 PolarHBondContact NE2-CE1 3.15Å; H279-H282 AromaticContact NE2-ND1 3.39Å; H279-H282 PolarHBondContact NE2-ND1 2.9Å; H279-H282 WeakPolarHBondContact O-CA 3.48Å; H279-H282 VanDerWaalsContact O-CB 3.25Å; H279-H282 WeakPolarHBondContact O-CB 3.35Å; H279-H282 PolarHBondContact O-N 3.18Å; H279-A283 PolarHBondContact O-N 3.08Å; H279-V496 HydrophobicContact CB-CB 4.25Å; H279-V496 HydrophobicContact CB-CG1 4.18Å; H279-F522 WeakPolarHBondContact CA-O 3.38Å; H279-F522 WeakPolarHBondContact CB-O 3.47Å
280I91.2Very high90.5Very high1 Ų115.4 Ų15.41%0.0059%0.086CC..Hα-helixtrans-52.9-35.4-175.6-168.559.1000114.3H282 A283 L489 L491 F522 L527 I537 F540 L558I280-H282 VanDerWaalsContact C-N 3.28Å; I280-H282 PolarHBondContact O-N 3.33Å; I280-A283 HydrophobicContact CD1-CB 4.09Å; I280-A283 WeakPolarHBondContact O-CB 3.47Å; I280-A283 PolarHBondContact O-N 3.39Å; I280-L489 HydrophobicContact CG1-CD2 4.41Å; I280-L491 HydrophobicContact CB-CD1 4.47Å; I280-L491 HydrophobicContact CG1-CD1 4.22Å; I280-L491 HydrophobicContact CG2-CD1 3.78Å; I280-L491 HydrophobicContact CG2-CG 3.99Å; I280-F522 HydrophobicContact CG2-CB 4.34Å; I280-F522 PolarHBondContact N-O 2.69Å; I280-L527 HydrophobicContact CB-CD1 4.25Å; I280-L527 HydrophobicContact CD1-CD1 3.9Å; I280-L527 HydrophobicContact CG1-CD1 4.43Å; I280-I537 HydrophobicContact CD1-CG2 3.96Å; I280-F540 HydrophobicContact CD1-CD1 4.46Å; I280-F540 HydrophobicContact CG1-CE1 4.32Å; I280-L558 HydrophobicContact CD1-CD2 4.11Å; I280-L558 HydrophobicContact CG1-CD2 4.29Å
281G89.3Confident90.3Very high12 Ų1215 Ų1512%0.1248%0.084CC..Hα-helixtrans-59.1-33.4171.700000114.5H279 A283 K284H279-G281 WeakPolarHBondContact ND1-CA 3.42Å; H279-G281 PolarHBondContact ND1-N 3.35Å; H279-G281 VanDerWaalsContact ND1-N 3.1Å; H279-G281 PolarHBondContact O-N 3.37Å; G281-A283 VanDerWaalsContact C-N 3.31Å; G281-K284 PolarHBondContact O-N 2.96Å
282H92.5Very high90.1Very high55 Ų5514 Ų1426%0.2558%0.077SC..Hα-helixtrans-70.7-25.4172.9-64.7102.9000112.2L278 H279 I280 K284 A285 I286L278-H282 HydrophobicContact CB-CB 4.32Å; L278-H282 HydrophobicContact CD2-CB 3.95Å; H279-H282 AromaticContact CD2-CE1 3.48Å; H279-H282 PolarHBondContact CD2-CE1 3.37Å; H279-H282 VanDerWaalsContact CD2-CE1 3.48Å; H279-H282 AromaticContact CD2-ND1 3.41Å; H279-H282 PolarHBondContact CD2-ND1 3.04Å; H279-H282 AromaticContact CE1-CE1 3.53Å; H279-H282 AromaticContact CE1-ND1 3.27Å; H279-H282 PolarHBondContact CE1-ND1 3.2Å; H279-H282 VanDerWaalsContact CE1-ND1 3.27Å; H279-H282 AromaticContact CG-CE1 3.93Å; H279-H282 AromaticContact CG-ND1 3.36Å; H279-H282 PolarHBondContact N-ND1 2.97Å; H279-H282 VanDerWaalsContact N-ND1 3.19Å; H279-H282 AromaticContact ND1-CE1 3.94Å; H279-H282 PolarHBondContact ND1-N 2.94Å; H279-H282 AromaticContact ND1-ND1 3.26Å; H279-H282 PolarHBondContact ND1-ND1 3.13Å; H279-H282 AromaticContact NE2-CE1 3.24Å; H279-H282 PolarHBondContact NE2-CE1 3.15Å; H279-H282 AromaticContact NE2-ND1 3.39Å; H279-H282 PolarHBondContact NE2-ND1 2.9Å; H279-H282 WeakPolarHBondContact O-CA 3.48Å; H279-H282 VanDerWaalsContact O-CB 3.25Å; H279-H282 WeakPolarHBondContact O-CB 3.35Å; H279-H282 PolarHBondContact O-N 3.18Å; I280-H282 VanDerWaalsContact C-N 3.28Å; I280-H282 PolarHBondContact O-N 3.33Å; H282-K284 PolarHBondContact O-N 3.14Å; H282-A285 WeakPolarHBondContact O-CA 3.47Å; H282-A285 WeakPolarHBondContact O-CB 3.37Å; H282-A285 PolarHBondContact O-N 3.38Å; H282-I286 WeakPolarHBondContact O-CG1 3.46Å; H282-I286 PolarHBondContact O-N 3.11Å
283A92.7Very high90.1Very high0 Ų013.7 Ų13.70%08%0.075CC..Hα-helixtrans-58.3-38.8172.600000111.6H279 I280 G281 I286 N287 L327 L524 I537H279-A283 PolarHBondContact O-N 3.08Å; I280-A283 HydrophobicContact CD1-CB 4.09Å; I280-A283 WeakPolarHBondContact O-CB 3.47Å; I280-A283 PolarHBondContact O-N 3.39Å; G281-A283 VanDerWaalsContact C-N 3.31Å; A283-I286 PolarHBondContact O-N 2.78Å; A283-N287 VanDerWaalsContact O-CB 3.32Å; A283-N287 WeakPolarHBondContact O-CB 3.38Å; A283-N287 PolarHBondContact O-N 2.99Å; A283-N287 PolarHBondContact O-ND2 3.46Å; A283-L327 HydrophobicContact CB-CD1 4.44Å; A283-L524 HydrophobicContact CB-CD2 4.03Å; A283-I537 HydrophobicContact CB-CG2 3.55Å
284K89.8Confident90.2Very high8 Ų814 Ų144%0.0358%0.075CC..Hα-helixtrans-65.1-41.8174.1-174174.1-177.3-179.50111.1G281 H282 F288 Y486 G487 L489 G545G281-K284 PolarHBondContact O-N 2.96Å; H282-K284 PolarHBondContact O-N 3.14Å; K284-F288 WeakPolarHBondContact O-CB 3.21Å; K284-F288 PolarHBondContact O-N 3.41Å; K284-Y486 HydrophobicContact CD-CD2 4.33Å; K284-Y486 HydrophobicContact CD-CE2 4.44Å; K284-Y486 HydrophobicContact CG-CE2 4.31Å; K284-G487 PolarHBondContact NZ-O 3.28Å; K284-L489 HydrophobicContact CB-CB 4.33Å; K284-L489 HydrophobicContact CB-CD2 4.19Å; K284-L489 HydrophobicContact CD-CB 3.82Å; K284-G545 WeakPolarHBondContact CE-O 3.05Å; K284-G545 PolarHBondContact NZ-O 3.09Å
285A91.6Very high90.3Very high8 Ų814.4 Ų14.47%0.0668%0.078CC..Hα-helixtrans-63.4-42.9177.200000112.4F270 H282 N289 Y486F270-A285 HydrophobicContact CD2-CB 4.12Å; F270-A285 HydrophobicContact CE2-CB 3.8Å; H282-A285 WeakPolarHBondContact O-CA 3.47Å; H282-A285 WeakPolarHBondContact O-CB 3.37Å; H282-A285 PolarHBondContact O-N 3.38Å; A285-N289 WeakPolarHBondContact O-CB 3.33Å; A285-N289 PolarHBondContact O-N 2.91Å; A285-N289 PolarHBondContact O-ND2 2.9Å; A285-Y486 VanDerWaalsContact CA-OH 3.29Å; A285-Y486 WeakPolarHBondContact CA-OH 3.48Å; A285-Y486 WeakPolarHBondContact CB-OH 3.46Å
286I94.6Very high90.5Very high0 Ų015.5 Ų15.50%08%0.084CC..Hα-helixtrans-64.5-54.6176.7-67.1167.7000109.7F270 L278 H282 A283 F288 N289 F290 V324 L327 Y329 L524F270-I286 HydrophobicContact CD1-CG1 4Å; F270-I286 HydrophobicContact CD2-CG1 4.34Å; F270-I286 HydrophobicContact CE1-CD1 4.07Å; F270-I286 HydrophobicContact CE1-CG1 3.69Å; F270-I286 HydrophobicContact CE2-CG1 4.07Å; F270-I286 HydrophobicContact CG-CG1 4.32Å; F270-I286 HydrophobicContact CZ-CD1 4.18Å; F270-I286 HydrophobicContact CZ-CG1 3.74Å; L278-I286 HydrophobicContact CD1-CD1 4.33Å; H282-I286 WeakPolarHBondContact O-CG1 3.46Å; H282-I286 PolarHBondContact O-N 3.11Å; A283-I286 PolarHBondContact O-N 2.78Å; I286-F288 PolarHBondContact O-N 3.36Å; I286-N289 PolarHBondContact O-N 2.83Å; I286-F290 HydrophobicContact CB-CD2 4.37Å; I286-F290 HydrophobicContact CG2-CD2 3.75Å; I286-F290 HydrophobicContact CG2-CE2 4.26Å; I286-F290 WeakPolarHBondContact O-CB 3.26Å; I286-F290 WeakPolarHBondContact O-CD2 3.24Å; I286-F290 PolarHBondContact O-N 3.4Å; I286-V324 HydrophobicContact CD1-CG2 4.03Å; I286-V324 HydrophobicContact CG1-CG2 4.32Å; I286-L327 HydrophobicContact CB-CD1 4.25Å; I286-L327 HydrophobicContact CD1-CD1 3.92Å; I286-L327 HydrophobicContact CG2-CD1 3.98Å; I286-Y329 HydrophobicContact CG2-CD2 3.63Å; I286-Y329 HydrophobicContact CG2-CE2 4.08Å; I286-Y329 HydrophobicContact CG2-CG 4.49Å; I286-L524 HydrophobicContact CD1-CD1 4.16Å
287N92.1Very high90.9Very high3 Ų321.1 Ų21.12%0.01611%0.11CC..Hα-helixtrans-58.1-35.7179.1-86-78000112.4L222 A283 G291 Y329 N538 C541L222-N287 HydrophobicContact CD2-CB 4.49Å; L222-N287 VanDerWaalsContact CD2-OD1 3.28Å; L222-N287 WeakPolarHBondContact CD2-OD1 3.47Å; A283-N287 VanDerWaalsContact O-CB 3.32Å; A283-N287 WeakPolarHBondContact O-CB 3.38Å; A283-N287 PolarHBondContact O-N 2.99Å; A283-N287 PolarHBondContact O-ND2 3.46Å; N287-G291 WeakPolarHBondContact O-CA 3.49Å; N287-G291 PolarHBondContact O-N 3.38Å; N287-Y329 PolarHBondContact OD1-OH 3.3Å; N287-N538 PolarHBondContact ND2-OD1 3.4Å; N287-N538 VanDerWaalsContact OD1-CG 3.31Å; N287-N538 PolarHBondContact OD1-OD1 3.33Å; N287-C541 HydrophobicContact CB-CB 4.18Å
288F90.1Very high91.2Very high6 Ų621.3 Ų21.33%0.02612%0.115CC..Hα-helixtrans-75.3-48.6-180-162.5-131.5000112.1L226 L231 F233 K284 I286 Y292 L457 Y486 V546L226-F288 HydrophobicContact CD2-CD2 3.57Å; L226-F288 HydrophobicContact CD2-CE2 3.76Å; L231-F288 HydrophobicContact CD1-CE2 3.92Å; L231-F288 HydrophobicContact CD1-CZ 4.43Å; F233-F288 HydrophobicContact CE2-CE2 4.49Å; F233-F288 AromaticContact CE2-CZ 3.77Å; F233-F288 HydrophobicContact CE2-CZ 3.77Å; F233-F288 AromaticContact CZ-CZ 3.81Å; F233-F288 HydrophobicContact CZ-CZ 3.81Å; K284-F288 WeakPolarHBondContact O-CB 3.21Å; K284-F288 PolarHBondContact O-N 3.41Å; I286-F288 PolarHBondContact O-N 3.36Å; F288-Y292 WeakPolarHBondContact O-CB 3.45Å; F288-Y292 PolarHBondContact O-N 3.38Å; F288-L457 HydrophobicContact CD1-CB 3.86Å; F288-L457 HydrophobicContact CD1-CD1 3.52Å; F288-L457 HydrophobicContact CD1-CG 4.14Å; F288-L457 HydrophobicContact CE1-CB 3.92Å; F288-L457 HydrophobicContact CE1-CD1 3.58Å; F288-L457 HydrophobicContact CE1-CD2 3.85Å; F288-L457 HydrophobicContact CE1-CG 3.96Å; F288-L457 HydrophobicContact CG-CD1 4.1Å; F288-L457 HydrophobicContact CZ-CD1 4.16Å; F288-L457 HydrophobicContact CZ-CD2 4.4Å; F288-Y486 AromaticContact CD1-CD1 3.44Å; F288-Y486 HydrophobicContact CD1-CD1 3.44Å; F288-Y486 VanDerWaalsContact CD1-CD1 3.44Å; F288-Y486 AromaticContact CD1-CE1 3.67Å; F288-Y486 HydrophobicContact CD1-CE1 3.67Å; F288-Y486 HydrophobicContact CD1-CG 4.07Å; F288-Y486 AromaticContact CE1-CD1 3.6Å; F288-Y486 HydrophobicContact CE1-CD1 3.6Å; F288-Y486 HydrophobicContact CE1-CE1 4.24Å; F288-Y486 HydrophobicContact CE1-CG 4.18Å; F288-V546 HydrophobicContact CD2-CG1 4.32Å; F288-V546 HydrophobicContact CD2-CG2 3.63Å; F288-V546 HydrophobicContact CE1-CG1 4.26Å; F288-V546 HydrophobicContact CE2-CB 4.13Å; F288-V546 HydrophobicContact CE2-CG1 3.6Å; F288-V546 HydrophobicContact CE2-CG2 3.48Å; F288-V546 VanDerWaalsContact CE2-CG2 3.48Å; F288-V546 HydrophobicContact CZ-CG1 3.55Å; F288-V546 HydrophobicContact CZ-CG2 4.31Å
289N94.1Very high91.3Very high2 Ų221.6 Ų21.61%0.01112%0.116CC..Hα-helixtrans-70.1-52-178.7-75.3-78.7000112.6T268 R269 F270 A285 I286 A293 L457T268-N289 PolarHBondContact OG1-O 3.49Å; R269-N289 VanDerWaalsContact O-CG 3.27Å; R269-N289 PolarHBondContact O-OD1 3.16Å; F270-N289 HydrophobicContact CB-CB 4.35Å; A285-N289 WeakPolarHBondContact O-CB 3.33Å; A285-N289 PolarHBondContact O-N 2.91Å; A285-N289 PolarHBondContact O-ND2 2.9Å; I286-N289 PolarHBondContact O-N 2.83Å; N289-A293 PolarHBondContact O-N 2.98Å; N289-L457 WeakPolarHBondContact OD1-CB 3.39Å
290F94.9Very high91.6Very high6 Ų621.2 Ų21.23%0.02612%0.115CC..Hα-helixtrans-74.3-41.7-179.6-69.5-86.4000111.6F270 I286 Y292 A293 K294 C300 L302 V324 Y329 P331F270-F290 HydrophobicContact CB-CD2 4.27Å; F270-F290 HydrophobicContact CB-CE2 3.49Å; F270-F290 VanDerWaalsContact CB-CE2 3.49Å; F270-F290 HydrophobicContact CB-CZ 4.08Å; F270-F290 AromaticContact CD1-CE2 3.98Å; F270-F290 HydrophobicContact CD1-CE2 3.98Å; F270-F290 HydrophobicContact CG-CE2 4.01Å; I286-F290 HydrophobicContact CB-CD2 4.37Å; I286-F290 HydrophobicContact CG2-CD2 3.75Å; I286-F290 HydrophobicContact CG2-CE2 4.26Å; I286-F290 WeakPolarHBondContact O-CB 3.26Å; I286-F290 WeakPolarHBondContact O-CD2 3.24Å; I286-F290 PolarHBondContact O-N 3.4Å; F290-Y292 PolarHBondContact O-N 3.01Å; F290-A293 PolarHBondContact O-N 3.29Å; F290-K294 WeakPolarHBondContact O-CB 3.42Å; F290-K294 PolarHBondContact O-N 2.84Å; F290-C300 HydrophobicContact CD1-CB 3.46Å; F290-C300 VanDerWaalsContact CD1-CB 3.46Å; F290-C300 VanDerWaalsContact CD1-SG 3.52Å; F290-C300 HydrophobicContact CE1-CB 3.76Å; F290-C300 VanDerWaalsContact CE1-SG 3.54Å; F290-C300 HydrophobicContact CG-CB 4.04Å; F290-L302 HydrophobicContact CZ-CB 4.42Å; F290-V324 HydrophobicContact CD2-CG1 4.36Å; F290-V324 HydrophobicContact CE1-CG1 4.07Å; F290-V324 HydrophobicContact CE2-CG1 3.78Å; F290-V324 HydrophobicContact CE2-CG2 4.25Å; F290-V324 HydrophobicContact CZ-CG1 3.64Å; F290-Y329 HydrophobicContact CB-CD1 3.35Å; F290-Y329 HydrophobicContact CB-CD2 4.11Å; F290-Y329 HydrophobicContact CB-CE1 3.87Å; F290-Y329 HydrophobicContact CB-CG 3.47Å; F290-Y329 VanDerWaalsContact CB-CG 3.47Å; F290-Y329 HydrophobicContact CG-CD1 4.32Å; F290-Y329 HydrophobicContact CG-CG 4.03Å; F290-P331 HydrophobicContact CE1-CB 4.14Å
291G91.2Very high91.9Very high0 Ų022 Ų220%012%0.118CC..Hα-helixtrans-66-36.8178.300000112.6N287 K294 A295N287-G291 WeakPolarHBondContact O-CA 3.49Å; N287-G291 PolarHBondContact O-N 3.38Å; G291-K294 PolarHBondContact O-N 3.42Å; G291-A295 WeakPolarHBondContact O-CB 3.11Å; G291-A295 PolarHBondContact O-N 3.46Å
292Y91Very high92.3Very high3 Ų321.4 Ų21.41%0.01211%0.112CC..Hα-helixtrans-66.2-42.4174.8-175.3-98.9000112.1L226 L231 F233 I266 T268 F288 F290 A295 N296 H455L226-Y292 WeakPolarHBondContact O-CD2 3.43Å; L226-Y292 WeakPolarHBondContact O-CE2 3.28Å; L231-Y292 HydrophobicContact CD1-CD2 4.1Å; L231-Y292 HydrophobicContact CD1-CE2 4.21Å; F233-Y292 HydrophobicContact CD2-CD2 4.24Å; F233-Y292 HydrophobicContact CD2-CE1 4.39Å; F233-Y292 AromaticContact CD2-CE2 3.53Å; F233-Y292 HydrophobicContact CD2-CE2 3.53Å; F233-Y292 AromaticContact CD2-CZ 3.64Å; F233-Y292 HydrophobicContact CE2-CD2 4.44Å; F233-Y292 HydrophobicContact CE2-CE2 4.16Å; I266-Y292 HydrophobicContact CG2-CD1 3.91Å; I266-Y292 HydrophobicContact CG2-CE1 3.66Å; T268-Y292 HydrophobicContact CG2-CD1 3.88Å; F288-Y292 WeakPolarHBondContact O-CB 3.45Å; F288-Y292 PolarHBondContact O-N 3.38Å; F290-Y292 PolarHBondContact O-N 3.01Å; Y292-A295 PolarHBondContact O-N 3.37Å; Y292-N296 WeakPolarHBondContact CE2-ND2 3.34Å; Y292-N296 PolarHBondContact O-N 3.26Å; Y292-N296 PolarHBondContact O-ND2 3.04Å; Y292-H455 HydrophobicContact CD1-CB 4.45Å; Y292-H455 HydrophobicContact CE1-CB 4.14Å; Y292-H455 AromaticContact CE1-CD2 3.71Å; Y292-H455 AromaticContact CE1-CG 3.61Å; Y292-H455 AromaticContact CE1-ND1 3.79Å; Y292-H455 AromaticContact CE1-NE2 3.99Å; Y292-H455 AromaticContact CZ-CD2 3.94Å; Y292-H455 AromaticContact CZ-NE2 3.97Å; Y292-H455 PolarHBondContact OH-NE2 2.53Å
293A92.6Very high92.5Very high3 Ų318.9 Ų18.93%0.02510%0.1CC..Hα-helixtrans-59.3-52.7172.600000110.8N289 F290 A295 N296 N297 G298 C300N289-A293 PolarHBondContact O-N 2.98Å; F290-A293 PolarHBondContact O-N 3.29Å; A293-A295 VanDerWaalsContact C-N 3.31Å; A293-A295 PolarHBondContact O-N 2.86Å; A293-N296 CarbonylContact O-C 3.44Å; A293-N296 PolarHBondContact O-N 2.99Å; A293-N296 VanDerWaalsContact O-N 3.12Å; A293-N297 PolarHBondContact O-N 3.45Å; A293-G298 WeakPolarHBondContact O-CA 3.49Å; A293-G298 PolarHBondContact O-N 3.32Å; A293-C300 HydrophobicContact CB-CB 3.91Å
294K90.1Very high92.5Very high113 Ų11318.9 Ų18.949%0.49110%0.1SC..Hα-helixtrans-58.1-41.8-179.9-162.1177.9-176.8168.90112.2M223 F290 G291 N296M223-K294 HydrophobicContact CE-CB 3.96Å; M223-K294 HydrophobicContact CE-CD 4.16Å; M223-K294 HydrophobicContact CE-CG 3.72Å; M223-K294 HydrophobicContact SD-CB 4.4Å; M223-K294 HydrophobicContact SD-CD 4.44Å; M223-K294 HydrophobicContact SD-CG 4.46Å; F290-K294 WeakPolarHBondContact O-CB 3.42Å; F290-K294 PolarHBondContact O-N 2.84Å; G291-K294 PolarHBondContact O-N 3.42Å; K294-N296 PolarHBondContact O-N 3Å
295A87Confident92.7Very high12 Ų1218.9 Ų18.910%0.09910%0.101CC..Hα-helixtrans-69.6-19.5-178.200000114.1M223 L226 G291 Y292 A293M223-A295 VanDerWaalsContact CE-CA 3.45Å; M223-A295 HydrophobicContact CE-CB 3.93Å; M223-A295 HydrophobicContact SD-CB 4.12Å; L226-A295 HydrophobicContact CB-CB 3.94Å; G291-A295 WeakPolarHBondContact O-CB 3.11Å; G291-A295 PolarHBondContact O-N 3.46Å; Y292-A295 PolarHBondContact O-N 3.37Å; A293-A295 VanDerWaalsContact C-N 3.31Å; A293-A295 PolarHBondContact O-N 2.86Å
296N87.3Confident92.7Very high40 Ų4018.6 Ų18.621%0.21410%0.098CC..THydrogen-bonded Turntrans-122.727.4-176.9-58.8-86.2000112.1L226 G228 I266 Y292 A293 K294 G298L226-N296 PolarHBondContact O-ND2 3.5Å; G228-N296 PolarHBondContact N-OD1 2.87Å; I266-N296 HydrophobicContact CB-CB 4.48Å; I266-N296 HydrophobicContact CG1-CB 3.94Å; Y292-N296 WeakPolarHBondContact CE2-ND2 3.34Å; Y292-N296 PolarHBondContact O-N 3.26Å; Y292-N296 PolarHBondContact O-ND2 3.04Å; A293-N296 CarbonylContact O-C 3.44Å; A293-N296 PolarHBondContact O-N 2.99Å; A293-N296 VanDerWaalsContact O-N 3.12Å; K294-N296 PolarHBondContact O-N 3Å; N296-G298 PolarHBondContact O-N 3.27Å; N296-G298 VanDerWaalsContact O-N 3.14Å
297N86.2Confident92.5Very high135 Ų13519.2 Ų19.272%0.72210%0.102SC*.THydrogen-bonded Turntrans52.236.2178.1-59.695.9000113.5Q265 A293Q265-N297 PolarHBondContact NE2-O 2.93Å; A293-N297 PolarHBondContact O-N 3.45Å
298G91.6Very high92.2Very high16 Ų1621.5 Ų21.517%0.16511%0.114CC..  trans-104.2-176.6179.500000113.4I266 A293 N296I266-G298 CarbonylContact O-C 3.57Å; I266-G298 WeakPolarHBondContact O-CA 3.32Å; A293-G298 WeakPolarHBondContact O-CA 3.49Å; A293-G298 PolarHBondContact O-N 3.32Å; N296-G298 PolarHBondContact O-N 3.27Å; N296-G298 VanDerWaalsContact O-N 3.14Å
299I95.6Very high91.9Very high16 Ų1621.4 Ų21.48%0.08211%0.114CC..EExtended strand (participates in β ladder)trans-118.5151.7176.356.6170.3000110.8I266 R267 T268 Y301 Y332I266-I299 PolarHBondContact O-N 2.9Å; R267-I299 WeakPolarHBondContact CA-O 3.43Å; R267-I299 HydrophobicContact CB-CG1 4.38Å; R267-I299 HydrophobicContact CG-CD1 4.04Å; R267-I299 HydrophobicContact CG-CG1 3.74Å; T268-I299 PolarHBondContact N-O 3.14Å; I299-Y301 HydrophobicContact CD1-CE2 4.07Å; I299-Y332 HydrophobicContact CB-CD1 4.38Å; I299-Y332 HydrophobicContact CB-CD2 4.16Å; I299-Y332 HydrophobicContact CB-CG 3.82Å; I299-Y332 HydrophobicContact CD1-CD1 3.68Å; I299-Y332 HydrophobicContact CD1-CD2 4.22Å; I299-Y332 HydrophobicContact CD1-CE1 3.83Å; I299-Y332 HydrophobicContact CD1-CE2 4.32Å; I299-Y332 HydrophobicContact CD1-CG 3.9Å; I299-Y332 HydrophobicContact CG1-CG 4.44Å; I299-Y332 HydrophobicContact CG2-CD2 3.67Å; I299-Y332 HydrophobicContact CG2-CE2 4.37Å; I299-Y332 HydrophobicContact CG2-CG 3.87Å
300C97.8Very high91Very high6 Ų625 Ų254%0.04113%0.131CC..EExtended strand (participates in β ladder)trans-128.2127.3175.2-176.40000110T268 F290 A293 Y332T268-C300 WeakPolarHBondContact O-CA 3.47Å; T268-C300 VanDerWaalsContact OG1-CB 3.26Å; T268-C300 WeakPolarHBondContact OG1-CB 3.3Å; T268-C300 PolarHBondContact OG1-SG 2.96Å; T268-C300 VanDerWaalsContact OG1-SG 3.33Å; F290-C300 HydrophobicContact CD1-CB 3.46Å; F290-C300 VanDerWaalsContact CD1-CB 3.46Å; F290-C300 VanDerWaalsContact CD1-SG 3.52Å; F290-C300 HydrophobicContact CE1-CB 3.76Å; F290-C300 VanDerWaalsContact CE1-SG 3.54Å; F290-C300 HydrophobicContact CG-CB 4.04Å; A293-C300 HydrophobicContact CB-CB 3.91Å; C300-Y332 PolarHBondContact O-N 3.11Å
301Y97.7Very high89.7Confident17 Ų1734.4 Ų34.47%0.06717%0.172CC..EExtended strand (participates in β ladder)trans-81.4139.4173.3-72.5-90.7000110.9R267 T268 R269 F270 I299 Y332 D333 T335 I453R267-Y301 PolarHBondContact NH2-OH 3.4Å; T268-Y301 PolarHBondContact O-N 3.25Å; R269-Y301 CarbonylContact C-O 3.47Å; R269-Y301 WeakPolarHBondContact CA-O 3.42Å; F270-Y301 PolarHBondContact N-O 3.45Å; I299-Y301 HydrophobicContact CD1-CE2 4.07Å; Y301-Y332 HydrophobicContact CD1-CD1 4.44Å; Y301-Y332 AromaticContact CE1-CD1 3.89Å; Y301-Y332 HydrophobicContact CE1-CD1 3.89Å; Y301-Y332 HydrophobicContact CE1-CE1 4.04Å; Y301-Y332 HydrophobicContact CE2-CD1 4.36Å; Y301-Y332 AromaticContact CZ-CD1 3.85Å; Y301-Y332 AromaticContact CZ-CE1 3.86Å; Y301-D333 HydrophobicContact CD1-CB 3.95Å; Y301-D333 HydrophobicContact CE1-CB 3.8Å; Y301-T335 HydrophobicContact CD1-CG2 3.91Å; Y301-T335 HydrophobicContact CE1-CG2 4.15Å; Y301-I453 HydrophobicContact CD2-CD1 3.96Å; Y301-I453 HydrophobicContact CE2-CD1 4.45Å
302L97.2Very high88.5Confident0 Ų036 Ų360%018%0.179CC..EExtended strand (participates in β ladder)trans-95.1102.1159.1174.261.8000107.1F270 P272 F290 Y304 I320 K321 P331 D333 V334 T335F270-L302 HydrophobicContact CD1-CD1 3.76Å; F270-L302 HydrophobicContact CE1-CD1 4.36Å; P272-L302 HydrophobicContact CG-CD1 3.91Å; F290-L302 HydrophobicContact CZ-CB 4.42Å; L302-Y304 HydrophobicContact CD2-CE2 3.9Å; L302-Y304 HydrophobicContact CG-CD2 4.48Å; L302-Y304 HydrophobicContact CG-CE2 3.93Å; L302-I320 HydrophobicContact CD1-CG2 4.16Å; L302-K321 HydrophobicContact CD2-CB 4.38Å; L302-K321 HydrophobicContact CD2-CG 4.44Å; L302-P331 HydrophobicContact CB-CB 3.66Å; L302-P331 HydrophobicContact CB-CG 4.26Å; L302-P331 HydrophobicContact CD2-CG 4.45Å; L302-D333 PolarHBondContact N-O 3.3Å; L302-D333 VanDerWaalsContact N-O 3.1Å; L302-V334 HydrophobicContact CB-CG2 4.41Å; L302-V334 HydrophobicContact CD2-CG2 4.33Å; L302-V334 WeakPolarHBondContact O-CA 3.42Å; L302-T335 PolarHBondContact O-N 2.91Å
303R96.7Very high87.5Confident2 Ų240.4 Ų40.41%0.00820%0.2CC..EExtended strand (participates in β ladder)trans-108.9104.6-175.2-175172.875.4-151.94111.2F270 P271 D305 T335 H444 D448 E451F270-R303 PolarHBondContact O-N 3.1Å; P271-R303 CarbonylContact C-O 3.56Å; P271-R303 WeakPolarHBondContact CA-O 3.37Å; P271-R303 HydrophobicContact CB-CB 4.39Å; P271-R303 WeakPolarHBondContact CB-O 3.5Å; R303-D305 PolarHBondContact O-N 3.12Å; R303-T335 CarbonylContact C-O 3.56Å; R303-T335 VanDerWaalsContact CA-O 3.28Å; R303-T335 WeakPolarHBondContact CA-O 3.17Å; R303-T335 WeakPolarHBondContact CB-OG1 3.26Å; R303-T335 WeakPolarHBondContact CG-OG1 3.36Å; R303-H444 PolarHBondContact NH2-ND1 3.06Å; R303-H444 PolarHBondContact NH2-O 3.19Å; R303-D448 IonicContact CZ-OD1 2.84Å; R303-D448 VanDerWaalsContact CZ-OD1 3.24Å; R303-D448 IonicContact NH1-OD1 3.64Å; R303-D448 PolarHBondContact NH1-OD1 3.31Å; R303-D448 IonicContact NH2-OD1 2.77Å; R303-D448 PolarHBondContact NH2-OD1 2.85Å; R303-E451 WeakPolarHBondContact CD-OE1 3.02Å; R303-E451 WeakPolarHBondContact CD-OE2 3.36Å; R303-E451 IonicContact CZ-OE2 3.61Å; R303-E451 IonicContact NE-OE2 3.38Å; R303-E451 IonicContact NH1-OE2 3.62Å; R303-E451 PolarHBondContact NH1-OE2 2.9Å
304Y94.1Very high86.8Confident0 Ų047.3 Ų47.30%023%0.232CC..EExtended strand (participates in β ladder)trans-66.6127.2177.3-70.2-86.3000110.8P274 L302 D306 F317 I320 V334 T335 A337P274-Y304 HydrophobicContact CB-CD1 3.77Å; P274-Y304 HydrophobicContact CB-CG 4.45Å; L302-Y304 HydrophobicContact CD2-CE2 3.9Å; L302-Y304 HydrophobicContact CG-CD2 4.48Å; L302-Y304 HydrophobicContact CG-CE2 3.93Å; Y304-D306 VanDerWaalsContact C-N 3.31Å; Y304-D306 PolarHBondContact O-N 3.13Å; Y304-D306 VanDerWaalsContact O-N 3.15Å; Y304-F317 AromaticContact CD1-CD2 3.78Å; Y304-F317 HydrophobicContact CD1-CD2 3.78Å; Y304-F317 AromaticContact CD1-CE2 3.82Å; Y304-F317 HydrophobicContact CD1-CE2 3.82Å; Y304-F317 AromaticContact CD2-CD2 4Å; Y304-F317 HydrophobicContact CD2-CD2 4Å; Y304-F317 AromaticContact CD2-CE2 3.17Å; Y304-F317 HydrophobicContact CD2-CE2 3.17Å; Y304-F317 AromaticContact CD2-CZ 3.62Å; Y304-F317 HydrophobicContact CD2-CZ 3.62Å; Y304-F317 AromaticContact CE1-CD2 3.48Å; Y304-F317 HydrophobicContact CE1-CD2 3.48Å; Y304-F317 VanDerWaalsContact CE1-CD2 3.48Å; Y304-F317 AromaticContact CE1-CE2 3.7Å; Y304-F317 HydrophobicContact CE1-CE2 3.7Å; Y304-F317 HydrophobicContact CE1-CG 4.08Å; Y304-F317 HydrophobicContact CE1-CZ 4.43Å; Y304-F317 HydrophobicContact CE2-CD1 4.49Å; Y304-F317 AromaticContact CE2-CD2 3.76Å; Y304-F317 HydrophobicContact CE2-CD2 3.76Å; Y304-F317 AromaticContact CE2-CE1 3.92Å; Y304-F317 HydrophobicContact CE2-CE1 3.92Å; Y304-F317 AromaticContact CE2-CE2 3.08Å; Y304-F317 HydrophobicContact CE2-CE2 3.08Å; Y304-F317 HydrophobicContact CE2-CG 4.42Å; Y304-F317 AromaticContact CE2-CZ 3.17Å; Y304-F317 HydrophobicContact CE2-CZ 3.17Å; Y304-F317 AromaticContact CG-CD2 3.98Å; Y304-F317 HydrophobicContact CG-CD2 3.98Å; Y304-F317 AromaticContact CG-CE2 3.53Å; Y304-F317 HydrophobicContact CG-CE2 3.53Å; Y304-F317 HydrophobicContact CG-CZ 4.41Å; Y304-F317 AromaticContact CZ-CD2 3.46Å; Y304-F317 VanDerWaalsContact CZ-CD2 3.46Å; Y304-F317 AromaticContact CZ-CE2 3.32Å; Y304-F317 AromaticContact CZ-CG 3.87Å; Y304-F317 AromaticContact CZ-CZ 3.61Å; Y304-F317 PolarHBondContact OH-O 2.79Å; Y304-I320 HydrophobicContact CD1-CD1 4.48Å; Y304-I320 HydrophobicContact CE1-CB 4.05Å; Y304-I320 HydrophobicContact CE1-CD1 3.93Å; Y304-I320 HydrophobicContact CE1-CG2 3.8Å; Y304-V334 HydrophobicContact CD2-CG1 3.88Å; Y304-V334 HydrophobicContact CE2-CG1 3.56Å; Y304-T335 PolarHBondContact N-O 3.08Å; Y304-A337 PolarHBondContact O-N 3.08Å
305D92.7Very high86.4Confident9 Ų945.4 Ų45.45%0.04822%0.223CC..  trans-84.277.3172178.318.4000110P272 E273 P274 R303 T307 Y440 H444P272-D305 PolarHBondContact O-N 3.37Å; E273-D305 HydrophobicContact CG-CB 4.48Å; P274-D305 WeakPolarHBondContact CD-O 3.32Å; R303-D305 PolarHBondContact O-N 3.12Å; D305-T307 VanDerWaalsContact C-N 3.27Å; D305-T307 PolarHBondContact O-N 3.15Å; D305-T307 WeakPolarHBondContact OD1-CB 3.38Å; D305-T307 WeakPolarHBondContact OD1-CG2 3.44Å; D305-T307 PolarHBondContact OD1-N 2.77Å; D305-T307 PolarHBondContact OD1-OG1 3.37Å; D305-Y440 VanDerWaalsContact OD2-CD2 3.22Å; D305-Y440 WeakPolarHBondContact OD2-CD2 3.48Å; D305-H444 IonicContact OD1-NE2 3.29Å; D305-H444 PolarHBondContact OD1-NE2 3.36Å; D305-H444 IonicContact OD2-CE1 3.85Å; D305-H444 IonicContact OD2-NE2 3.68Å; D305-H444 PolarHBondContact OD2-NE2 3.08Å; D305-H444 VanDerWaalsContact OD2-NE2 3.16Å
306D92Very high86.2Confident1 Ų145.6 Ų45.61%0.00522%0.222CC..  trans-9332.4174.165.1-21.3000111.5P274 Y304 N308 H336 A337 S338 H427 R429P274-D306 HydrophobicContact CG-CB 4.05Å; Y304-D306 VanDerWaalsContact C-N 3.31Å; Y304-D306 PolarHBondContact O-N 3.13Å; Y304-D306 VanDerWaalsContact O-N 3.15Å; D306-N308 PolarHBondContact O-N 2.9Å; D306-H336 IonicContact OD2-CD2 3.02Å; D306-A337 WeakPolarHBondContact OD1-CA 3.38Å; D306-A337 WeakPolarHBondContact OD1-CB 3.14Å; D306-A337 PolarHBondContact OD1-N 3.43Å; D306-S338 PolarHBondContact OD1-N 2.87Å; D306-S338 WeakPolarHBondContact OD2-CB 3.41Å; D306-S338 PolarHBondContact OD2-OG 2.91Å; D306-H427 PolarHBondContact O-NE2 3.32Å; D306-H427 IonicContact OD2-CE1 3.71Å; D306-H427 PolarHBondContact OD2-CE1 3.18Å; D306-H427 IonicContact OD2-NE2 2.85Å; D306-R429 WeakPolarHBondContact OD2-CD 3.39Å
307T89.8Confident86Confident13 Ų1346.4 Ų46.48%0.0822%0.224CC..  trans-65.6-22.3177.852.20000113.4D305 A337 Y437 T443D305-T307 VanDerWaalsContact C-N 3.27Å; D305-T307 PolarHBondContact O-N 3.15Å; D305-T307 WeakPolarHBondContact OD1-CB 3.38Å; D305-T307 WeakPolarHBondContact OD1-CG2 3.44Å; D305-T307 PolarHBondContact OD1-N 2.77Å; D305-T307 PolarHBondContact OD1-OG1 3.37Å; T307-A337 HydrophobicContact CG2-CB 3.72Å; T307-Y437 WeakPolarHBondContact O-CD1 3.44Å; T307-T443 HydrophobicContact CG2-CG2 3.41Å; T307-T443 VanDerWaalsContact CG2-CG2 3.41Å; T307-T443 WeakPolarHBondContact CG2-OG1 3.13Å
308N87.6Confident86Confident51 Ų5143 Ų4327%0.27321%0.208SC..SBendtrans-102118.1-176-174.417.8000110.6D306 E310 K423D306-N308 PolarHBondContact O-N 2.9Å; N308-E310 HydrophobicContact CB-CG 4.49Å; N308-E310 VanDerWaalsContact ND2-CD 3.34Å; N308-E310 WeakPolarHBondContact ND2-CG 3.46Å; N308-E310 PolarHBondContact ND2-OE1 3.41Å; N308-E310 PolarHBondContact O-N 2.84Å; N308-K423 PolarHBondContact OD1-NZ 2.82Å
309P83.4Confident85.8Confident5 Ų543.3 Ų43.33%0.03221%0.208CC..  trans-70.197.7175.230.8-36.3000109.8K423 T425 H427 Y437P309-K423 HydrophobicContact CG-CB 3.84Å; P309-K423 HydrophobicContact CG-CD 3.74Å; P309-K423 HydrophobicContact CG-CG 4.44Å; P309-T425 HydrophobicContact CB-CG2 4.46Å; P309-T425 VanDerWaalsContact CB-O 3.29Å; P309-T425 WeakPolarHBondContact CB-O 3.36Å; P309-T425 WeakPolarHBondContact O-CG2 3.38Å; P309-H427 HydrophobicContact CB-CB 4.31Å; P309-Y437 HydrophobicContact CB-CE1 4.06Å; P309-Y437 HydrophobicContact CB-CE2 4.26Å; P309-Y437 HydrophobicContact CG-CD1 4.21Å; P309-Y437 HydrophobicContact CG-CD2 3.85Å; P309-Y437 HydrophobicContact CG-CE1 4Å; P309-Y437 HydrophobicContact CG-CE2 3.64Å; P309-Y437 HydrophobicContact CG-CG 4.13Å
310E74.9Confident85.6Confident76 Ų7642.7 Ų42.736%0.35521%0.205SC..  trans-118.7162.1172.2-63.8-165.9169.900110.4N275 N308 E312N275-E310 PolarHBondContact ND2-OE2 3.27Å; N308-E310 HydrophobicContact CB-CG 4.49Å; N308-E310 VanDerWaalsContact ND2-CD 3.34Å; N308-E310 WeakPolarHBondContact ND2-CG 3.46Å; N308-E310 PolarHBondContact ND2-OE1 3.41Å; N308-E310 PolarHBondContact O-N 2.84Å; E310-E312 PolarHBondContact O-N 2.85Å
311K66.9Low85.4Confident204 Ų20446.1 Ų46.189%0.88722%0.219SC*.  trans-69.490.4166.4-74.4-173.2178.3-177.10107.9
312E66.3Low85.1Confident33 Ų3348.8 Ų48.815%0.15424%0.235CC..  trans-73.9138.3176-70.9-178.8-172.500110.5P274 E310 H428P274-E312 VanDerWaalsContact CG-CD 3.44Å; P274-E312 HydrophobicContact CG-CG 4.35Å; P274-E312 WeakPolarHBondContact CG-OE1 3.25Å; E310-E312 PolarHBondContact O-N 2.85Å; E312-H428 HydrophobicContact CB-CB 4.23Å; E312-H428 HydrophobicContact CG-CB 4.41Å; E312-H428 IonicContact OE2-CD2 3.66Å; E312-H428 IonicContact OE2-CG 3.55Å
313E70.1Confident85Confident96 Ų9649 Ų4945%0.44924%0.236SC..  trans-104.2121.5171.5-60-177.2-118.300108.1K315 Y316E313-K315 HydrophobicContact CB-CD 4.01Å; E313-K315 HydrophobicContact CB-CG 3.82Å; E313-K315 VanDerWaalsContact CD-NZ 3.26Å; E313-K315 PolarHBondContact O-N 3.24Å; E313-K315 IonicContact OE1-NZ 3.05Å; E313-K315 PolarHBondContact OE1-NZ 3.01Å; E313-K315 VanDerWaalsContact OE2-CD 3.29Å; E313-K315 WeakPolarHBondContact OE2-CD 3.33Å; E313-K315 WeakPolarHBondContact OE2-CE 3.47Å; E313-K315 IonicContact OE2-NZ 3.65Å; E313-K315 PolarHBondContact OE2-NZ 3.32Å; E313-Y316 HydrophobicContact CB-CD2 3.86Å; E313-Y316 HydrophobicContact CB-CE2 3.99Å; E313-Y316 HydrophobicContact CG-CE2 4.34Å; E313-Y316 PolarHBondContact O-N 3.2Å
314E78.3Confident84.9Confident148 Ų14848.9 Ų48.969%0.69224%0.235SC*.Hα-helixtrans-51.6-28.3-177.7-172.2176-177.100113.1Y316 F317 T318E314-Y316 PolarHBondContact O-N 3.37Å; E314-F317 WeakPolarHBondContact O-CB 3.46Å; E314-F317 PolarHBondContact O-N 2.93Å; E314-F317 VanDerWaalsContact O-N 3.1Å; E314-T318 PolarHBondContact O-N 2.76Å; E314-T318 VanDerWaalsContact O-N 3.12Å; E314-T318 PolarHBondContact O-OG1 3.49Å
315K80.9Confident85Confident74 Ų7453.1 Ų53.132%0.32226%0.255SS..Hα-helixtrans-54.1-33.5175.274.6-169.7-170.9-177.60114E313 T318 A319 W516E313-K315 HydrophobicContact CB-CD 4.01Å; E313-K315 HydrophobicContact CB-CG 3.82Å; E313-K315 VanDerWaalsContact CD-NZ 3.26Å; E313-K315 PolarHBondContact O-N 3.24Å; E313-K315 IonicContact OE1-NZ 3.05Å; E313-K315 PolarHBondContact OE1-NZ 3.01Å; E313-K315 VanDerWaalsContact OE2-CD 3.29Å; E313-K315 WeakPolarHBondContact OE2-CD 3.33Å; E313-K315 WeakPolarHBondContact OE2-CE 3.47Å; E313-K315 IonicContact OE2-NZ 3.65Å; E313-K315 PolarHBondContact OE2-NZ 3.32Å; K315-T318 PolarHBondContact O-OG1 3.22Å; K315-A319 WeakPolarHBondContact O-CB 3.47Å; K315-A319 PolarHBondContact O-N 2.83Å; K315-A319 VanDerWaalsContact O-N 3.13Å; K315-W516 HydrophobicContact CD-CH2 3.59Å; K315-W516 HydrophobicContact CD-CZ3 4.16Å; K315-W516 HydrophobicContact CG-CH2 3.87Å
316Y82.4Confident85.1Confident15 Ų1554.5 Ų54.56%0.05926%0.26CS..Hα-helixtrans-77.7-36.8179.7-67.5-63000111.1P274 I277 E313 E314 A319 I320 W516P274-Y316 WeakPolarHBondContact O-CB 3.34Å; I277-Y316 HydrophobicContact CG1-CD1 4.48Å; I277-Y316 HydrophobicContact CG1-CE1 3.92Å; E313-Y316 HydrophobicContact CB-CD2 3.86Å; E313-Y316 HydrophobicContact CB-CE2 3.99Å; E313-Y316 HydrophobicContact CG-CE2 4.34Å; E313-Y316 PolarHBondContact O-N 3.2Å; E314-Y316 PolarHBondContact O-N 3.37Å; Y316-A319 PolarHBondContact O-N 3.15Å; Y316-I320 WeakPolarHBondContact O-CB 3.34Å; Y316-I320 WeakPolarHBondContact O-CD1 3.44Å; Y316-I320 VanDerWaalsContact O-CG1 3.26Å; Y316-I320 WeakPolarHBondContact O-CG1 3.46Å; Y316-I320 PolarHBondContact O-N 3.44Å; Y316-W516 AromaticContact CD1-CH2 3.99Å; Y316-W516 HydrophobicContact CD1-CH2 3.99Å; Y316-W516 AromaticContact CD1-CZ2 3.87Å; Y316-W516 HydrophobicContact CD1-CZ2 3.87Å; Y316-W516 HydrophobicContact CE1-CD2 4.13Å; Y316-W516 AromaticContact CE1-CE2 3.9Å; Y316-W516 AromaticContact CE1-CE3 3.84Å; Y316-W516 HydrophobicContact CE1-CE3 3.84Å; Y316-W516 AromaticContact CE1-CH2 3.35Å; Y316-W516 HydrophobicContact CE1-CH2 3.35Å; Y316-W516 AromaticContact CE1-CZ2 3.52Å; Y316-W516 HydrophobicContact CE1-CZ2 3.52Å; Y316-W516 AromaticContact CE1-CZ3 3.47Å; Y316-W516 HydrophobicContact CE1-CZ3 3.47Å; Y316-W516 VanDerWaalsContact CE1-CZ3 3.47Å; Y316-W516 AromaticContact CZ-CH2 3.77Å; Y316-W516 AromaticContact CZ-CZ3 3.58Å; Y316-W516 WeakPolarHBondContact OH-CZ3 3.48Å
317F83.3Confident85.3Confident58 Ų5854.5 Ų54.525%0.25426%0.26SS..Hα-helixtrans-60.6-51.7176.8-168.9-88.2000111.1Y304 E314 I320 K321 V334 H336Y304-F317 AromaticContact CD1-CD2 3.78Å; Y304-F317 HydrophobicContact CD1-CD2 3.78Å; Y304-F317 AromaticContact CD1-CE2 3.82Å; Y304-F317 HydrophobicContact CD1-CE2 3.82Å; Y304-F317 AromaticContact CD2-CD2 4Å; Y304-F317 HydrophobicContact CD2-CD2 4Å; Y304-F317 AromaticContact CD2-CE2 3.17Å; Y304-F317 HydrophobicContact CD2-CE2 3.17Å; Y304-F317 AromaticContact CD2-CZ 3.62Å; Y304-F317 HydrophobicContact CD2-CZ 3.62Å; Y304-F317 AromaticContact CE1-CD2 3.48Å; Y304-F317 HydrophobicContact CE1-CD2 3.48Å; Y304-F317 VanDerWaalsContact CE1-CD2 3.48Å; Y304-F317 AromaticContact CE1-CE2 3.7Å; Y304-F317 HydrophobicContact CE1-CE2 3.7Å; Y304-F317 HydrophobicContact CE1-CG 4.08Å; Y304-F317 HydrophobicContact CE1-CZ 4.43Å; Y304-F317 HydrophobicContact CE2-CD1 4.49Å; Y304-F317 AromaticContact CE2-CD2 3.76Å; Y304-F317 HydrophobicContact CE2-CD2 3.76Å; Y304-F317 AromaticContact CE2-CE1 3.92Å; Y304-F317 HydrophobicContact CE2-CE1 3.92Å; Y304-F317 AromaticContact CE2-CE2 3.08Å; Y304-F317 HydrophobicContact CE2-CE2 3.08Å; Y304-F317 HydrophobicContact CE2-CG 4.42Å; Y304-F317 AromaticContact CE2-CZ 3.17Å; Y304-F317 HydrophobicContact CE2-CZ 3.17Å; Y304-F317 AromaticContact CG-CD2 3.98Å; Y304-F317 HydrophobicContact CG-CD2 3.98Å; Y304-F317 AromaticContact CG-CE2 3.53Å; Y304-F317 HydrophobicContact CG-CE2 3.53Å; Y304-F317 HydrophobicContact CG-CZ 4.41Å; Y304-F317 AromaticContact CZ-CD2 3.46Å; Y304-F317 VanDerWaalsContact CZ-CD2 3.46Å; Y304-F317 AromaticContact CZ-CE2 3.32Å; Y304-F317 AromaticContact CZ-CG 3.87Å; Y304-F317 AromaticContact CZ-CZ 3.61Å; Y304-F317 PolarHBondContact OH-O 2.79Å; E314-F317 WeakPolarHBondContact O-CB 3.46Å; E314-F317 PolarHBondContact O-N 2.93Å; E314-F317 VanDerWaalsContact O-N 3.1Å; F317-I320 PolarHBondContact O-N 2.76Å; F317-K321 PolarHBondContact O-N 2.97Å; F317-V334 HydrophobicContact CZ-CG1 4.2Å; F317-H336 AromaticContact CE2-NE2 3.28Å; F317-H336 VanDerWaalsContact CE2-NE2 3.28Å; F317-H336 WeakPolarHBondContact CE2-NE2 3.33Å; F317-H336 AromaticContact CZ-NE2 3.58Å
318T85.9Confident85.4Confident64 Ų6456.1 Ų56.139%0.39328%0.279SS..Hα-helixtrans-63.4-45.5177.755.80000111E314 K315 I320 K321 D322E314-T318 PolarHBondContact O-N 2.76Å; E314-T318 VanDerWaalsContact O-N 3.12Å; E314-T318 PolarHBondContact O-OG1 3.49Å; K315-T318 PolarHBondContact O-OG1 3.22Å; T318-I320 VanDerWaalsContact C-N 3.33Å; T318-I320 PolarHBondContact O-N 3.08Å; T318-K321 PolarHBondContact O-N 2.92Å; T318-D322 WeakPolarHBondContact O-CB 3.19Å; T318-D322 PolarHBondContact O-N 2.91Å
319A88.2Confident85.8Confident21 Ų2154.3 Ų54.317%0.17427%0.269CS..Hα-helixtrans-59.9-39.3178.800000113.3K315 Y316 M323K315-A319 WeakPolarHBondContact O-CB 3.47Å; K315-A319 PolarHBondContact O-N 2.83Å; K315-A319 VanDerWaalsContact O-N 3.13Å; Y316-A319 PolarHBondContact O-N 3.15Å; A319-M323 WeakPolarHBondContact O-CB 3.38Å; A319-M323 WeakPolarHBondContact O-CG 3.21Å; A319-M323 PolarHBondContact O-N 2.94Å
320I92.1Very high86.3Confident3 Ų359.6 Ų59.62%0.01530%0.301CS..Hα-helixtrans-61.7-49.8176.7-75.1163.4000110.4P272 E273 L278 L302 Y304 Y316 F317 T318 M323 V324P272-I320 HydrophobicContact CB-CD1 4.31Å; P272-I320 HydrophobicContact CB-CG2 4.41Å; P272-I320 HydrophobicContact CG-CD1 4.4Å; P272-I320 HydrophobicContact CG-CG2 3.68Å; E273-I320 WeakPolarHBondContact O-CD1 3.27Å; L278-I320 HydrophobicContact CD1-CB 4.19Å; L278-I320 HydrophobicContact CD1-CG1 3.97Å; L278-I320 HydrophobicContact CD1-CG2 4.2Å; L278-I320 HydrophobicContact CD2-CG1 4.3Å; L278-I320 HydrophobicContact CG-CG1 3.9Å; L302-I320 HydrophobicContact CD1-CG2 4.16Å; Y304-I320 HydrophobicContact CD1-CD1 4.48Å; Y304-I320 HydrophobicContact CE1-CB 4.05Å; Y304-I320 HydrophobicContact CE1-CD1 3.93Å; Y304-I320 HydrophobicContact CE1-CG2 3.8Å; Y316-I320 WeakPolarHBondContact O-CB 3.34Å; Y316-I320 WeakPolarHBondContact O-CD1 3.44Å; Y316-I320 VanDerWaalsContact O-CG1 3.26Å; Y316-I320 WeakPolarHBondContact O-CG1 3.46Å; Y316-I320 PolarHBondContact O-N 3.44Å; F317-I320 PolarHBondContact O-N 2.76Å; T318-I320 VanDerWaalsContact C-N 3.33Å; T318-I320 PolarHBondContact O-N 3.08Å; I320-M323 PolarHBondContact O-N 3.27Å; I320-V324 WeakPolarHBondContact O-CG2 3.44Å; I320-V324 PolarHBondContact O-N 3.03Å; I320-V324 VanDerWaalsContact O-N 3.11Å
321K92.4Very high87.3Confident79 Ų7956.7 Ų56.734%0.34329%0.289SS..Hα-helixtrans-62.6-47179.8-174-177.9172.7-168.40111.1L302 F317 T318 M323 V324 E325L302-K321 HydrophobicContact CD2-CB 4.38Å; L302-K321 HydrophobicContact CD2-CG 4.44Å; F317-K321 PolarHBondContact O-N 2.97Å; T318-K321 PolarHBondContact O-N 2.92Å; K321-M323 PolarHBondContact O-N 2.89Å; K321-V324 PolarHBondContact O-N 3.25Å; K321-V324 VanDerWaalsContact O-N 3.08Å; K321-E325 WeakPolarHBondContact CE-OE1 3.34Å; K321-E325 IonicContact NZ-OE1 3.95Å; K321-E325 PolarHBondContact O-N 3.34Å
322D92.3Very high88.6Confident73 Ų7351.2 Ų51.239%0.3926%0.263SS..Hα-helixtrans-57.2-35.6177.2-72-3.5000111.9T318 W326T318-D322 WeakPolarHBondContact O-CB 3.19Å; T318-D322 PolarHBondContact O-N 2.91Å; D322-W326 WeakPolarHBondContact O-CB 3.41Å; D322-W326 PolarHBondContact O-N 2.73Å
323M94.8Very high89.9Confident4 Ų453.6 Ų53.62%0.0228%0.277CS..Hα-helixtrans-74.9-34.2178.2-72.3-5594.700112.7L278 A319 I320 K321 W326 L327 L524L278-M323 HydrophobicContact CD1-CB 3.88Å; L278-M323 HydrophobicContact CD1-CG 4.36Å; A319-M323 WeakPolarHBondContact O-CB 3.38Å; A319-M323 WeakPolarHBondContact O-CG 3.21Å; A319-M323 PolarHBondContact O-N 2.94Å; I320-M323 PolarHBondContact O-N 3.27Å; K321-M323 PolarHBondContact O-N 2.89Å; M323-W326 HydrophobicContact CE-CB 4.38Å; M323-W326 HydrophobicContact CE-CE3 4.47Å; M323-W326 HydrophobicContact SD-CE3 3.84Å; M323-W326 HydrophobicContact SD-CZ3 4.3Å; M323-L327 WeakPolarHBondContact O-CG 3.42Å; M323-L327 PolarHBondContact O-N 3.05Å; M323-L327 VanDerWaalsContact O-N 3.15Å; M323-L524 HydrophobicContact CB-CB 4.48Å; M323-L524 HydrophobicContact CB-CD1 4.18Å; M323-L524 HydrophobicContact CG-CB 3.87Å; M323-L524 HydrophobicContact CG-CD1 4.44Å; M323-L524 HydrophobicContact SD-CB 3.61Å
324V95.1Very high91.1Very high0 Ų051.1 Ų51.10%027%0.268CS..Hα-helixtrans-64.5-48.5173173.10000109.9F270 I286 F290 I320 K321 L327 Y329F270-V324 HydrophobicContact CD1-CG2 4.2Å; F270-V324 HydrophobicContact CE1-CG2 4.23Å; I286-V324 HydrophobicContact CD1-CG2 4.03Å; I286-V324 HydrophobicContact CG1-CG2 4.32Å; F290-V324 HydrophobicContact CD2-CG1 4.36Å; F290-V324 HydrophobicContact CE1-CG1 4.07Å; F290-V324 HydrophobicContact CE2-CG1 3.78Å; F290-V324 HydrophobicContact CE2-CG2 4.25Å; F290-V324 HydrophobicContact CZ-CG1 3.64Å; I320-V324 WeakPolarHBondContact O-CG2 3.44Å; I320-V324 PolarHBondContact O-N 3.03Å; I320-V324 VanDerWaalsContact O-N 3.11Å; K321-V324 PolarHBondContact O-N 3.25Å; K321-V324 VanDerWaalsContact O-N 3.08Å; V324-L327 PolarHBondContact O-N 2.91Å; V324-Y329 CarbonylContact C-O 3.53Å; V324-Y329 PolarHBondContact O-N 3.02Å
325E94.9Very high91.9Very high88 Ų8844.9 Ų44.941%0.41124%0.24SC..Hα-helixtrans-65-41.4177.8-69.5-178.617200112K321 L327 G328 Y329K321-E325 WeakPolarHBondContact CE-OE1 3.34Å; K321-E325 IonicContact NZ-OE1 3.95Å; K321-E325 PolarHBondContact O-N 3.34Å; E325-L327 VanDerWaalsContact C-N 3.29Å; E325-L327 PolarHBondContact O-N 3.33Å; E325-G328 WeakPolarHBondContact O-CA 3.27Å; E325-G328 PolarHBondContact O-N 3.23Å; E325-Y329 WeakPolarHBondContact CA-O 3.3Å
326W95.6Very high92.5Very high38 Ų3842 Ų4214%0.14423%0.228CC..Hα-helixtrans-60.7-36.6177.2174.362.6000112.7D322 M323 G328 R528 F532 P534 I537D322-W326 WeakPolarHBondContact O-CB 3.41Å; D322-W326 PolarHBondContact O-N 2.73Å; M323-W326 HydrophobicContact CE-CB 4.38Å; M323-W326 HydrophobicContact CE-CE3 4.47Å; M323-W326 HydrophobicContact SD-CE3 3.84Å; M323-W326 HydrophobicContact SD-CZ3 4.3Å; W326-G328 PolarHBondContact O-N 3.13Å; W326-R528 HydrophobicContact CD2-CB 4.36Å; W326-R528 HydrophobicContact CD2-CG 4.25Å; W326-R528 HydrophobicContact CH2-CB 3.8Å; W326-R528 HydrophobicContact CH2-CG 4.48Å; W326-R528 HydrophobicContact CZ2-CB 3.67Å; W326-R528 HydrophobicContact CZ2-CG 3.88Å; W326-R528 HydrophobicContact CZ3-CB 4.24Å; W326-F532 WeakPolarHBondContact CZ2-O 3.28Å; W326-P534 HydrophobicContact CD2-CB 4.27Å; W326-P534 HydrophobicContact CZ2-CB 4.31Å; W326-P534 WeakPolarHBondContact O-CB 3.41Å; W326-P534 WeakPolarHBondContact O-CG 3.49Å; W326-I537 HydrophobicContact CH2-CD1 3.39Å; W326-I537 HydrophobicContact CZ2-CD1 4.5Å; W326-I537 HydrophobicContact CZ3-CD1 3.67Å
327L95.4Very high93.1Very high1 Ų141.3 Ų41.31%0.00523%0.225CC..THydrogen-bonded Turntrans-74.31.4174.4-68.8176.2000113.5A283 I286 M323 V324 E325 Y329 L524 P534 I537 N538A283-L327 HydrophobicContact CB-CD1 4.44Å; I286-L327 HydrophobicContact CB-CD1 4.25Å; I286-L327 HydrophobicContact CD1-CD1 3.92Å; I286-L327 HydrophobicContact CG2-CD1 3.98Å; M323-L327 WeakPolarHBondContact O-CG 3.42Å; M323-L327 PolarHBondContact O-N 3.05Å; M323-L327 VanDerWaalsContact O-N 3.15Å; V324-L327 PolarHBondContact O-N 2.91Å; E325-L327 VanDerWaalsContact C-N 3.29Å; E325-L327 PolarHBondContact O-N 3.33Å; L327-Y329 HydrophobicContact CB-CD2 4.05Å; L327-Y329 HydrophobicContact CB-CE2 4.35Å; L327-L524 HydrophobicContact CD1-CD1 4.24Å; L327-P534 HydrophobicContact CD2-CB 4.25Å; L327-I537 HydrophobicContact CD2-CB 4.08Å; L327-I537 HydrophobicContact CD2-CD1 4.42Å; L327-I537 HydrophobicContact CD2-CG2 3.94Å; L327-N538 PolarHBondContact O-ND2 2.84Å
328G93.6Very high93.6Very high47 Ų4738.9 Ų38.949%0.48522%0.215SC..THydrogen-bonded Turntrans8722.6174.800000114.4E325 W326E325-G328 WeakPolarHBondContact O-CA 3.27Å; E325-G328 PolarHBondContact O-N 3.23Å; W326-G328 PolarHBondContact O-N 3.13Å
329Y94.8Very high94.1Very high14 Ų1439.7 Ų39.76%0.05522%0.217CC..  trans-116.3140.6177.4-61-70.9000111.1I286 N287 F290 V324 E325 L327I286-Y329 HydrophobicContact CG2-CD2 3.63Å; I286-Y329 HydrophobicContact CG2-CE2 4.08Å; I286-Y329 HydrophobicContact CG2-CG 4.49Å; N287-Y329 PolarHBondContact OD1-OH 3.3Å; F290-Y329 HydrophobicContact CB-CD1 3.35Å; F290-Y329 HydrophobicContact CB-CD2 4.11Å; F290-Y329 HydrophobicContact CB-CE1 3.87Å; F290-Y329 HydrophobicContact CB-CG 3.47Å; F290-Y329 VanDerWaalsContact CB-CG 3.47Å; F290-Y329 HydrophobicContact CG-CD1 4.32Å; F290-Y329 HydrophobicContact CG-CG 4.03Å; V324-Y329 CarbonylContact C-O 3.53Å; V324-Y329 PolarHBondContact O-N 3.02Å; E325-Y329 WeakPolarHBondContact CA-O 3.3Å; L327-Y329 HydrophobicContact CB-CD2 4.05Å; L327-Y329 HydrophobicContact CB-CE2 4.35Å
330T93.9Very high94.5Very high115 Ų11539.4 Ų39.471%0.70621%0.213SC*.  trans-115.2126.8175.4-50.80000108.5
331P95.3Very high94.7Very high16 Ų1639.5 Ų39.510%0.10421%0.213CC..  trans-66.9137.1172.428.4-32.4000111F290 L302 D333 V334F290-P331 HydrophobicContact CE1-CB 4.14Å; L302-P331 HydrophobicContact CB-CB 3.66Å; L302-P331 HydrophobicContact CB-CG 4.26Å; L302-P331 HydrophobicContact CD2-CG 4.45Å; P331-D333 VanDerWaalsContact C-N 3.3Å; P331-V334 HydrophobicContact CB-CG2 4.31Å; P331-V334 HydrophobicContact CG-CG2 3.94Å
332Y94.1Very high94.9Very high89 Ų8939.6 Ų39.635%0.34922%0.215SC..SBendtrans-62.4-43.2172.5161.7-96.7000110.7H174 I299 C300 Y301H174-Y332 AromaticContact CE1-CE2 3.7Å; H174-Y332 AromaticContact CG-CE2 3.96Å; H174-Y332 AromaticContact ND1-CE2 3.41Å; H174-Y332 WeakPolarHBondContact ND1-CE2 3.44Å; I299-Y332 HydrophobicContact CB-CD1 4.38Å; I299-Y332 HydrophobicContact CB-CD2 4.16Å; I299-Y332 HydrophobicContact CB-CG 3.82Å; I299-Y332 HydrophobicContact CD1-CD1 3.68Å; I299-Y332 HydrophobicContact CD1-CD2 4.22Å; I299-Y332 HydrophobicContact CD1-CE1 3.83Å; I299-Y332 HydrophobicContact CD1-CE2 4.32Å; I299-Y332 HydrophobicContact CD1-CG 3.9Å; I299-Y332 HydrophobicContact CG1-CG 4.44Å; I299-Y332 HydrophobicContact CG2-CD2 3.67Å; I299-Y332 HydrophobicContact CG2-CE2 4.37Å; I299-Y332 HydrophobicContact CG2-CG 3.87Å; C300-Y332 PolarHBondContact O-N 3.11Å; Y301-Y332 HydrophobicContact CD1-CD1 4.44Å; Y301-Y332 AromaticContact CE1-CD1 3.89Å; Y301-Y332 HydrophobicContact CE1-CD1 3.89Å; Y301-Y332 HydrophobicContact CE1-CE1 4.04Å; Y301-Y332 HydrophobicContact CE2-CD1 4.36Å; Y301-Y332 AromaticContact CZ-CD1 3.85Å; Y301-Y332 AromaticContact CZ-CE1 3.86Å
333D93.8Very high95.1Very high82 Ų8241.4 Ų41.444%0.43922%0.219SC..  trans-150.4154.6174.7-160.73.6000109.5Y301 L302 P331Y301-D333 HydrophobicContact CD1-CB 3.95Å; Y301-D333 HydrophobicContact CE1-CB 3.8Å; L302-D333 PolarHBondContact N-O 3.3Å; L302-D333 VanDerWaalsContact N-O 3.1Å; P331-D333 VanDerWaalsContact C-N 3.3Å
334V95.3Very high95.2Very high44 Ų4441.2 Ų41.227%0.26722%0.218SC..EExtended strand (participates in β ladder)trans-111.2105.1178.1-178.50000108.6L302 Y304 F317 P331L302-V334 HydrophobicContact CB-CG2 4.41Å; L302-V334 HydrophobicContact CD2-CG2 4.33Å; L302-V334 WeakPolarHBondContact O-CA 3.42Å; Y304-V334 HydrophobicContact CD2-CG1 3.88Å; Y304-V334 HydrophobicContact CE2-CG1 3.56Å; F317-V334 HydrophobicContact CZ-CG1 4.2Å; P331-V334 HydrophobicContact CB-CG2 4.31Å; P331-V334 HydrophobicContact CG-CG2 3.94Å
335T95.3Very high95.4Very high17 Ų1741.9 Ų41.910%0.10422%0.221CC..EExtended strand (participates in β ladder)trans-111.4163.4-176.660.40000111.3Y301 L302 R303 Y304 E451Y301-T335 HydrophobicContact CD1-CG2 3.91Å; Y301-T335 HydrophobicContact CE1-CG2 4.15Å; L302-T335 PolarHBondContact O-N 2.91Å; R303-T335 CarbonylContact C-O 3.56Å; R303-T335 VanDerWaalsContact CA-O 3.28Å; R303-T335 WeakPolarHBondContact CA-O 3.17Å; R303-T335 WeakPolarHBondContact CB-OG1 3.26Å; R303-T335 WeakPolarHBondContact CG-OG1 3.36Å; Y304-T335 PolarHBondContact N-O 3.08Å; T335-E451 WeakPolarHBondContact CB-OE1 3.36Å; T335-E451 PolarHBondContact OG1-OE1 3.24Å
336H94.6Very high95.5Very high14 Ų1441.7 Ų41.77%0.06522%0.222CC..EExtended strand (participates in β ladder)trans-123.5148.4175.1-56.371.8000109.7D306 F317 S338 D339 R429D306-H336 IonicContact OD2-CD2 3.02Å; F317-H336 AromaticContact CE2-NE2 3.28Å; F317-H336 VanDerWaalsContact CE2-NE2 3.28Å; F317-H336 WeakPolarHBondContact CE2-NE2 3.33Å; F317-H336 AromaticContact CZ-NE2 3.58Å; H336-S338 PolarHBondContact O-N 3.37Å; H336-D339 WeakPolarHBondContact CB-OD2 3.46Å; H336-D339 IonicContact CG-OD2 2.88Å; H336-D339 PolarHBondContact N-OD2 3.41Å; H336-D339 IonicContact ND1-OD2 3.37Å; H336-D339 PolarHBondContact ND1-OD2 3.5Å; H336-D339 WeakPolarHBondContact O-CB 3.21Å; H336-D339 PolarHBondContact O-N 3.43Å; H336-R429 VanDerWaalsContact CD2-CD 3.46Å; H336-R429 WeakPolarHBondContact CD2-CD 3.47Å; H336-R429 PolarHBondContact CE1-NH1 3.27Å; H336-R429 PolarHBondContact NE2-NH1 3.3Å
337A94.7Very high95.6Very high1 Ų141.3 Ų41.31%0.00822%0.223CC..SBendtrans-61-36.1171.200000111Y304 D306 T307 D339 N340 T443Y304-A337 PolarHBondContact O-N 3.08Å; D306-A337 WeakPolarHBondContact OD1-CA 3.38Å; D306-A337 WeakPolarHBondContact OD1-CB 3.14Å; D306-A337 PolarHBondContact OD1-N 3.43Å; T307-A337 HydrophobicContact CG2-CB 3.72Å; A337-D339 VanDerWaalsContact C-N 3.27Å; A337-D339 PolarHBondContact O-N 2.84Å; A337-N340 PolarHBondContact O-N 3.27Å; A337-T443 HydrophobicContact CB-CG2 3.78Å
338S94.4Very high95.7Very high6 Ų641.2 Ų41.24%0.04222%0.223CC..G310 helixtrans-62-27.6177.265.60000114.8D306 H336 N340 F341 H427D306-S338 PolarHBondContact OD1-N 2.87Å; D306-S338 WeakPolarHBondContact OD2-CB 3.41Å; D306-S338 PolarHBondContact OD2-OG 2.91Å; H336-S338 PolarHBondContact O-N 3.37Å; S338-N340 PolarHBondContact O-N 2.92Å; S338-F341 WeakPolarHBondContact O-CG 3.38Å; S338-F341 PolarHBondContact O-N 3.32Å; S338-F341 VanDerWaalsContact O-N 3.09Å; S338-H427 VanDerWaalsContact CB-CE1 3.45Å; S338-H427 WeakPolarHBondContact CB-CE1 3.42Å
339D94.9Very high95.9Very high82 Ų8239.8 Ų39.844%0.43921%0.205SC..G310 helixtrans-59.9-19.3174.6-59.3-30.6000111.4H336 A337 R429H336-D339 WeakPolarHBondContact CB-OD2 3.46Å; H336-D339 IonicContact CG-OD2 2.88Å; H336-D339 PolarHBondContact N-OD2 3.41Å; H336-D339 IonicContact ND1-OD2 3.37Å; H336-D339 PolarHBondContact ND1-OD2 3.5Å; H336-D339 WeakPolarHBondContact O-CB 3.21Å; H336-D339 PolarHBondContact O-N 3.43Å; A337-D339 VanDerWaalsContact C-N 3.27Å; A337-D339 PolarHBondContact O-N 2.84Å; D339-R429 IonicContact OD1-CZ 2.82Å; D339-R429 IonicContact OD1-NE 2.84Å; D339-R429 IonicContact OD1-NH2 3.29Å; D339-R429 PolarHBondContact OD1-NH2 3.48Å
340N96.4Very high96Very high14 Ų1441.2 Ų41.28%0.07521%0.213CC..G310 helixtrans-107.34.5-179.3-64.5-62.3000114.5A337 S338 Q342 K343 L344 I450A337-N340 PolarHBondContact O-N 3.27Å; S338-N340 PolarHBondContact O-N 2.92Å; N340-Q342 VanDerWaalsContact C-N 3.31Å; N340-Q342 PolarHBondContact O-N 3.44Å; N340-K343 PolarHBondContact O-N 3.08Å; N340-L344 HydrophobicContact CB-CD1 4.21Å; N340-L344 HydrophobicContact CB-CG 4.25Å; N340-L344 WeakPolarHBondContact O-CB 3.29Å; N340-L344 VanDerWaalsContact O-CG 3.28Å; N340-L344 WeakPolarHBondContact O-CG 3.36Å; N340-L344 PolarHBondContact O-N 3.26Å; N340-I450 HydrophobicContact CB-CD1 4.25Å
341F96.9Very high96.2Very high5 Ų535.8 Ų35.82%0.02218%0.18CC..Hα-helixtrans-53.7-42.7-175.8-75.3-18.4000114S338 L344 Y345 T430 W434 Y437 P438S338-F341 WeakPolarHBondContact O-CG 3.38Å; S338-F341 PolarHBondContact O-N 3.32Å; S338-F341 VanDerWaalsContact O-N 3.09Å; F341-L344 HydrophobicContact CD1-CD1 4.32Å; F341-L344 PolarHBondContact O-N 3.46Å; F341-Y345 WeakPolarHBondContact O-CB 3.33Å; F341-Y345 PolarHBondContact O-N 3.37Å; F341-T430 HydrophobicContact CD2-CG2 4.25Å; F341-W434 HydrophobicContact CB-CD2 4.42Å; F341-W434 HydrophobicContact CB-CZ2 4.2Å; F341-W434 HydrophobicContact CD2-CG 4.38Å; F341-Y437 HydrophobicContact CE2-CD1 4.18Å; F341-Y437 HydrophobicContact CE2-CE1 4.07Å; F341-Y437 HydrophobicContact CZ-CD1 4.04Å; F341-Y437 HydrophobicContact CZ-CE1 4.33Å; F341-P438 HydrophobicContact CD1-CG 4.06Å; F341-P438 HydrophobicContact CE1-CG 4.03Å
342Q96.8Very high96.3Very high82 Ų8235 Ų3538%0.38318%0.175SC..Hα-helixtrans-64.1-44.9177.5-175.953.154.800111.9N340 L344 Y345 D346 W434N340-Q342 VanDerWaalsContact C-N 3.31Å; N340-Q342 PolarHBondContact O-N 3.44Å; Q342-L344 PolarHBondContact O-N 3.02Å; Q342-Y345 WeakPolarHBondContact O-CB 3.03Å; Q342-Y345 PolarHBondContact O-N 3.16Å; Q342-D346 VanDerWaalsContact NE2-CG 3.29Å; Q342-D346 PolarHBondContact NE2-OD1 2.72Å; Q342-D346 PolarHBondContact NE2-OD2 3.13Å; Q342-D346 VanDerWaalsContact NE2-OD2 3.07Å; Q342-D346 VanDerWaalsContact O-CG 3.25Å; Q342-D346 PolarHBondContact O-N 3.39Å; Q342-D346 VanDerWaalsContact O-OD2 3.14Å; Q342-W434 HydrophobicContact CB-CZ2 4.17Å
343K96.6Very high96.4Very high111 Ų11138.2 Ų38.248%0.48319%0.186SC..Hα-helixtrans-63.1-42.1176.1-66.3177-173.11630111.6N340 Y345 D346 L347 I450N340-K343 PolarHBondContact O-N 3.08Å; K343-Y345 VanDerWaalsContact C-N 3.27Å; K343-Y345 PolarHBondContact O-N 2.92Å; K343-D346 PolarHBondContact O-N 3.44Å; K343-L347 WeakPolarHBondContact O-CB 3.4Å; K343-L347 VanDerWaalsContact O-CG 3.26Å; K343-L347 WeakPolarHBondContact O-CG 3.34Å; K343-L347 PolarHBondContact O-N 2.87Å; K343-I450 HydrophobicContact CB-CD1 4.38Å; K343-I450 HydrophobicContact CD-CD1 4.31Å
344L97.4Very high96.5Very high0 Ų038.6 Ų38.60%018%0.181CC..Hα-helixtrans-63-35.6176.7-68170.1000111.2N340 F341 Q342 A348 Y420 P438 Y442 T443 L446N340-L344 HydrophobicContact CB-CD1 4.21Å; N340-L344 HydrophobicContact CB-CG 4.25Å; N340-L344 WeakPolarHBondContact O-CB 3.29Å; N340-L344 VanDerWaalsContact O-CG 3.28Å; N340-L344 WeakPolarHBondContact O-CG 3.36Å; N340-L344 PolarHBondContact O-N 3.26Å; F341-L344 HydrophobicContact CD1-CD1 4.32Å; F341-L344 PolarHBondContact O-N 3.46Å; Q342-L344 PolarHBondContact O-N 3.02Å; L344-A348 WeakPolarHBondContact O-CB 3.39Å; L344-A348 PolarHBondContact O-N 3.4Å; L344-Y420 WeakPolarHBondContact CB-OH 3.42Å; L344-Y420 PolarHBondContact O-OH 3.27Å; L344-P438 HydrophobicContact CD1-CG 4.01Å; L344-Y442 HydrophobicContact CB-CE1 4.17Å; L344-Y442 HydrophobicContact CD2-CD1 4.36Å; L344-Y442 HydrophobicContact CD2-CE1 4.08Å; L344-Y442 PolarHBondContact O-OH 2.94Å; L344-T443 HydrophobicContact CD1-CG2 3.69Å; L344-L446 HydrophobicContact CD2-CB 3.57Å; L344-L446 HydrophobicContact CD2-CD1 3.86Å; L344-L446 HydrophobicContact CD2-CG 4.36Å
345Y97.8Very high96.6Very high14 Ų1437.7 Ų37.76%0.05518%0.181CC..Hα-helixtrans-67.2-47.1174.8177.6-100.1000111.2F341 Q342 K343 L347 A348 V349 F389 E390 K393 Y420 W434 I436F341-Y345 WeakPolarHBondContact O-CB 3.33Å; F341-Y345 PolarHBondContact O-N 3.37Å; Q342-Y345 WeakPolarHBondContact O-CB 3.03Å; Q342-Y345 PolarHBondContact O-N 3.16Å; K343-Y345 VanDerWaalsContact C-N 3.27Å; K343-Y345 PolarHBondContact O-N 2.92Å; Y345-L347 VanDerWaalsContact C-N 3.3Å; Y345-L347 PolarHBondContact O-N 3.38Å; Y345-A348 WeakPolarHBondContact O-CB 3.37Å; Y345-A348 PolarHBondContact O-N 2.96Å; Y345-V349 HydrophobicContact CD1-CG2 4.31Å; Y345-V349 HydrophobicContact CE1-CG2 3.88Å; Y345-V349 HydrophobicContact CE2-CG2 4.41Å; Y345-V349 WeakPolarHBondContact O-CG2 3.36Å; Y345-V349 PolarHBondContact O-N 3.24Å; Y345-F389 HydrophobicContact CD2-CD1 4.45Å; Y345-F389 AromaticContact CD2-CE1 3.53Å; Y345-F389 HydrophobicContact CD2-CE1 3.53Å; Y345-F389 AromaticContact CD2-CZ 3.81Å; Y345-F389 HydrophobicContact CD2-CZ 3.81Å; Y345-F389 AromaticContact CE2-CD1 3.73Å; Y345-F389 HydrophobicContact CE2-CD1 3.73Å; Y345-F389 AromaticContact CE2-CE1 3.23Å; Y345-F389 HydrophobicContact CE2-CE1 3.23Å; Y345-F389 AromaticContact CE2-CZ 3.77Å; Y345-F389 HydrophobicContact CE2-CZ 3.77Å; Y345-E390 PolarHBondContact OH-OE2 2.74Å; Y345-K393 HydrophobicContact CD1-CD 4.5Å; Y345-K393 HydrophobicContact CD2-CD 4.18Å; Y345-K393 HydrophobicContact CE1-CD 4Å; Y345-K393 HydrophobicContact CE2-CB 4.27Å; Y345-K393 HydrophobicContact CE2-CD 3.67Å; Y345-K393 HydrophobicContact CE2-CG 4.43Å; Y345-Y420 WeakPolarHBondContact CA-OH 3.28Å; Y345-Y420 PolarHBondContact N-OH 2.98Å; Y345-Y420 VanDerWaalsContact N-OH 3.08Å; Y345-W434 AromaticContact CD2-CZ3 4Å; Y345-W434 HydrophobicContact CD2-CZ3 4Å; Y345-W434 HydrophobicContact CG-CH2 4.04Å; Y345-W434 AromaticContact CG-CZ3 3.92Å; Y345-W434 HydrophobicContact CG-CZ3 3.92Å; Y345-I436 HydrophobicContact CD2-CD1 3.95Å; Y345-I436 HydrophobicContact CE2-CD1 3.88Å
346D97.9Very high96.6Very high83 Ų8340.2 Ų40.244%0.44419%0.192SC..Hα-helixtrans-62.5-39.1179.9-64.3-32000111.7Q342 K343 A348 V349 D350Q342-D346 VanDerWaalsContact NE2-CG 3.29Å; Q342-D346 PolarHBondContact NE2-OD1 2.72Å; Q342-D346 PolarHBondContact NE2-OD2 3.13Å; Q342-D346 VanDerWaalsContact NE2-OD2 3.07Å; Q342-D346 VanDerWaalsContact O-CG 3.25Å; Q342-D346 PolarHBondContact O-N 3.39Å; Q342-D346 VanDerWaalsContact O-OD2 3.14Å; K343-D346 PolarHBondContact O-N 3.44Å; D346-A348 VanDerWaalsContact C-N 3.34Å; D346-V349 PolarHBondContact O-N 3.42Å; D346-D350 PolarHBondContact O-N 3.37Å
347L97.6Very high96.7Very high30 Ų3039.9 Ų39.916%0.15719%0.191CC..Hα-helixtrans-66.6-33.8172.9-70.1175.1000112.5K343 Y345 D350 L351 Y442 L446 L476 L478K343-L347 WeakPolarHBondContact O-CB 3.4Å; K343-L347 VanDerWaalsContact O-CG 3.26Å; K343-L347 WeakPolarHBondContact O-CG 3.34Å; K343-L347 PolarHBondContact O-N 2.87Å; Y345-L347 VanDerWaalsContact C-N 3.3Å; Y345-L347 PolarHBondContact O-N 3.38Å; L347-D350 PolarHBondContact O-N 2.73Å; L347-L351 WeakPolarHBondContact O-CB 3.41Å; L347-L351 PolarHBondContact O-N 3.28Å; L347-Y442 VanDerWaalsContact C-OH 3.29Å; L347-L446 HydrophobicContact CB-CD1 4.35Å; L347-L446 HydrophobicContact CD1-CB 4.47Å; L347-L446 HydrophobicContact CD1-CD1 4.01Å; L347-L446 HydrophobicContact CD1-CD2 4.31Å; L347-L476 HydrophobicContact CB-CD1 4.16Å; L347-L476 HydrophobicContact CD2-CD1 4.35Å; L347-L476 HydrophobicContact CD2-CD2 4.47Å; L347-L476 WeakPolarHBondContact O-CD2 3.45Å; L347-L478 HydrophobicContact CD1-CD1 3.91Å; L347-L478 HydrophobicContact CD2-CD1 3.94Å; L347-L478 HydrophobicContact CD2-CD2 4.44Å
348A97.6Very high96.9Very high0 Ų040 Ų400%019%0.192CC..Hα-helixtrans-68.3-39.817600000111.1L344 Y345 D346 L351 I352 F389 L404 Y420 Y442L344-A348 WeakPolarHBondContact O-CB 3.39Å; L344-A348 PolarHBondContact O-N 3.4Å; Y345-A348 WeakPolarHBondContact O-CB 3.37Å; Y345-A348 PolarHBondContact O-N 2.96Å; D346-A348 VanDerWaalsContact C-N 3.34Å; A348-L351 WeakPolarHBondContact O-CB 3.48Å; A348-L351 PolarHBondContact O-N 3.3Å; A348-I352 WeakPolarHBondContact O-CG1 3.37Å; A348-I352 PolarHBondContact O-N 3.32Å; A348-F389 HydrophobicContact CB-CE1 3.87Å; A348-F389 HydrophobicContact CB-CZ 4.01Å; A348-L404 HydrophobicContact CB-CD2 3.83Å; A348-Y420 HydrophobicContact CB-CD2 4.25Å; A348-Y420 HydrophobicContact CB-CE2 3.58Å; A348-Y442 VanDerWaalsContact CA-OH 3.25Å; A348-Y442 WeakPolarHBondContact CA-OH 3.36Å; A348-Y442 WeakPolarHBondContact CB-OH 3.02Å; A348-Y442 PolarHBondContact N-OH 3.08Å
349V97.9Very high97Very high17 Ų1739.7 Ų39.710%0.10319%0.19CC..Hα-helixtrans-61.7-44.1172.5172.60000111Y345 D346 L351 I352 R353 L386 F389Y345-V349 HydrophobicContact CD1-CG2 4.31Å; Y345-V349 HydrophobicContact CE1-CG2 3.88Å; Y345-V349 HydrophobicContact CE2-CG2 4.41Å; Y345-V349 WeakPolarHBondContact O-CG2 3.36Å; Y345-V349 PolarHBondContact O-N 3.24Å; D346-V349 PolarHBondContact O-N 3.42Å; V349-L351 VanDerWaalsContact C-N 3.33Å; V349-L351 PolarHBondContact O-N 3.03Å; V349-I352 PolarHBondContact O-N 2.98Å; V349-R353 WeakPolarHBondContact O-CG 3.41Å; V349-R353 PolarHBondContact O-N 3.35Å; V349-L386 HydrophobicContact CG1-CD2 3.89Å; V349-F389 HydrophobicContact CG2-CD1 4.16Å; V349-F389 HydrophobicContact CG2-CE1 4.21Å
350D97.3Very high97Very high44 Ų4435.8 Ų35.824%0.23517%0.169CC..Hα-helixtrans-62.7-39.6175.3-167.834.2000111.8D346 L347 I352 R353 R354 L476D346-D350 PolarHBondContact O-N 3.37Å; L347-D350 PolarHBondContact O-N 2.73Å; D350-I352 VanDerWaalsContact C-N 3.3Å; D350-I352 PolarHBondContact O-N 3.47Å; D350-R353 PolarHBondContact O-N 3.43Å; D350-R353 VanDerWaalsContact O-N 3.15Å; D350-R354 VanDerWaalsContact O-CG 3.31Å; D350-R354 WeakPolarHBondContact O-CG 3.5Å; D350-R354 PolarHBondContact O-N 2.87Å; D350-R354 IonicContact OD1-NE 3.9Å; D350-R354 PolarHBondContact OD1-NE 2.84Å; D350-R354 IonicContact OD2-CZ 3.62Å; D350-R354 IonicContact OD2-NE 3.99Å; D350-R354 PolarHBondContact OD2-NE 3.06Å; D350-R354 IonicContact OD2-NH2 2.64Å; D350-R354 PolarHBondContact OD2-NH2 3.22Å; D350-L476 HydrophobicContact CB-CD2 4.09Å
351L96.7Very high96.9Very high0 Ų037.2 Ų37.20%018%0.175CC..Hα-helixtrans-60.8-39.3175.8-161.468.2000112.1L347 A348 V349 G355 H356 A357 M406 Y442 W471 L472 A475 L476L347-L351 WeakPolarHBondContact O-CB 3.41Å; L347-L351 PolarHBondContact O-N 3.28Å; A348-L351 WeakPolarHBondContact O-CB 3.48Å; A348-L351 PolarHBondContact O-N 3.3Å; V349-L351 VanDerWaalsContact C-N 3.33Å; V349-L351 PolarHBondContact O-N 3.03Å; L351-G355 PolarHBondContact O-N 3.18Å; L351-H356 HydrophobicContact CD1-CB 3.57Å; L351-H356 HydrophobicContact CG-CB 3.85Å; L351-H356 WeakPolarHBondContact O-CA 3.36Å; L351-H356 PolarHBondContact O-N 2.68Å; L351-A357 HydrophobicContact CB-CB 4.19Å; L351-A357 HydrophobicContact CD2-CB 3.83Å; L351-A357 HydrophobicContact CG-CB 3.87Å; L351-A357 PolarHBondContact O-N 2.92Å; L351-M406 HydrophobicContact CD2-CG 4.14Å; L351-Y442 HydrophobicContact CD2-CE2 4.25Å; L351-W471 HydrophobicContact CD1-CH2 4.32Å; L351-W471 HydrophobicContact CD2-CH2 4.5Å; L351-L472 HydrophobicContact CD1-CD1 4.44Å; L351-L472 HydrophobicContact CD2-CD1 4.04Å; L351-A475 HydrophobicContact CD1-CB 3.91Å; L351-L476 HydrophobicContact CB-CD2 4.15Å; L351-L476 HydrophobicContact CD1-CD2 4.05Å; L351-L476 HydrophobicContact CD1-CG 4.03Å
352I97.3Very high96.6Very high0 Ų037.4 Ų37.40%018%0.176CC..Hα-helixtrans-65.6-46.3173.7-62.8164.8000110.4A348 V349 D350 R354 G355 A357 I382 L386 F389 L404A348-I352 WeakPolarHBondContact O-CG1 3.37Å; A348-I352 PolarHBondContact O-N 3.32Å; V349-I352 PolarHBondContact O-N 2.98Å; D350-I352 VanDerWaalsContact C-N 3.3Å; D350-I352 PolarHBondContact O-N 3.47Å; I352-R354 PolarHBondContact O-N 3.21Å; I352-G355 WeakPolarHBondContact O-CA 3.48Å; I352-G355 PolarHBondContact O-N 2.91Å; I352-A357 HydrophobicContact CG1-CB 3.89Å; I352-I382 HydrophobicContact CG2-CG2 4.26Å; I352-I382 WeakPolarHBondContact O-CG2 3.11Å; I352-L386 HydrophobicContact CB-CD2 3.96Å; I352-L386 HydrophobicContact CD1-CD2 4.4Å; I352-L386 HydrophobicContact CG2-CD2 3.7Å; I352-L386 HydrophobicContact CG2-CG 3.79Å; I352-F389 HydrophobicContact CD1-CB 3.93Å; I352-F389 HydrophobicContact CD1-CD1 3.75Å; I352-F389 HydrophobicContact CD1-CG 3.95Å; I352-L404 HydrophobicContact CD1-CD1 3.61Å; I352-L404 HydrophobicContact CD1-CD2 4.36Å; I352-L404 HydrophobicContact CG1-CD1 3.86Å
353R97.4Very high96Very high157 Ų15739.8 Ų39.859%0.59219%0.185SC*.Hα-helixtrans-59.5-34.5179-73.4175.6180155.11.8112.9V349 D350 G355 L386V349-R353 WeakPolarHBondContact O-CG 3.41Å; V349-R353 PolarHBondContact O-N 3.35Å; D350-R353 PolarHBondContact O-N 3.43Å; D350-R353 VanDerWaalsContact O-N 3.15Å; R353-G355 PolarHBondContact O-N 2.94Å; R353-L386 HydrophobicContact CG-CD1 4.19Å; R353-L386 HydrophobicContact CG-CD2 4.23Å
354R96.4Very high94.8Very high89 Ų8936.9 Ų36.934%0.33619%0.187SC..THydrogen-bonded Turntrans-78.3-0.5175-63.5175.9-170.7-139.18.2113.4D350 I352 H356 A475 L476 D477D350-R354 VanDerWaalsContact O-CG 3.31Å; D350-R354 WeakPolarHBondContact O-CG 3.5Å; D350-R354 PolarHBondContact O-N 2.87Å; D350-R354 IonicContact OD1-NE 3.9Å; D350-R354 PolarHBondContact OD1-NE 2.84Å; D350-R354 IonicContact OD2-CZ 3.62Å; D350-R354 IonicContact OD2-NE 3.99Å; D350-R354 PolarHBondContact OD2-NE 3.06Å; D350-R354 IonicContact OD2-NH2 2.64Å; D350-R354 PolarHBondContact OD2-NH2 3.22Å; I352-R354 PolarHBondContact O-N 3.21Å; R354-H356 VanDerWaalsContact C-N 3.27Å; R354-H356 PolarHBondContact O-N 3.38Å; R354-A475 VanDerWaalsContact CD-O 3.23Å; R354-A475 WeakPolarHBondContact CD-O 3.45Å; R354-A475 PolarHBondContact NH1-O 2.9Å; R354-L476 PolarHBondContact NH2-O 3.49Å; R354-L476 VanDerWaalsContact NH2-O 3.1Å; R354-D477 IonicContact CZ-OD2 2.73Å; R354-D477 IonicContact NH1-OD2 2.86Å; R354-D477 PolarHBondContact NH1-OD2 2.89Å; R354-D477 IonicContact NH2-OD2 3.29Å
355G95.8Very high93.4Very high26 Ų2644.5 Ų44.527%0.26822%0.222SC..THydrogen-bonded Turntrans73.916.3-17900000114L351 I352 R353L351-G355 PolarHBondContact O-N 3.18Å; I352-G355 WeakPolarHBondContact O-CA 3.48Å; I352-G355 PolarHBondContact O-N 2.91Å; R353-G355 PolarHBondContact O-N 2.94Å
356H96.6Very high92Very high70 Ų7048.8 Ų48.832%0.32424%0.243SC..SBendtrans-100.82-177-67.5-45.6000113.6L351 R354 K407 W471L351-H356 HydrophobicContact CD1-CB 3.57Å; L351-H356 HydrophobicContact CG-CB 3.85Å; L351-H356 WeakPolarHBondContact O-CA 3.36Å; L351-H356 PolarHBondContact O-N 2.68Å; R354-H356 VanDerWaalsContact C-N 3.27Å; R354-H356 PolarHBondContact O-N 3.38Å; H356-K407 WeakPolarHBondContact O-CB 3.43Å; H356-K407 PolarHBondContact O-N 2.9Å; H356-W471 HydrophobicContact CB-CH2 4.06Å; H356-W471 HydrophobicContact CB-CZ2 4.03Å
357A97.1Very high90.5Very high6 Ų647.1 Ų47.15%0.0523%0.233CC..EExtended strand (participates in β ladder)trans-146.6154.8171.700000111.5L351 I352 L404 R405L351-A357 HydrophobicContact CB-CB 4.19Å; L351-A357 HydrophobicContact CD2-CB 3.83Å; L351-A357 HydrophobicContact CG-CB 3.87Å; L351-A357 PolarHBondContact O-N 2.92Å; I352-A357 HydrophobicContact CG1-CB 3.89Å; A357-L404 HydrophobicContact CB-CD1 4.26Å; A357-L404 HydrophobicContact CB-CG 4.41Å; A357-R405 CarbonylContact C-O 3.59Å; A357-R405 WeakPolarHBondContact CA-O 3.26Å; A357-R405 WeakPolarHBondContact CB-O 3.49Å
358Y97.4Very high88.6Confident4 Ų453.9 Ų53.92%0.01626%0.262CS..EExtended strand (participates in β ladder)trans-147.6154.2179.467.3-83.9000111.3C360 S375 W377 R378 R405 K407 D416Y358-C360 HydrophobicContact CD2-CB 4.23Å; Y358-C360 HydrophobicContact CE2-CB 3.76Å; Y358-S375 WeakPolarHBondContact OH-CB 3.2Å; Y358-W377 HydrophobicContact CD2-CB 4.37Å; Y358-W377 WeakPolarHBondContact CD2-O 3.28Å; Y358-W377 HydrophobicContact CE2-CB 4.5Å; Y358-R378 HydrophobicContact CD1-CG 4.38Å; Y358-R378 HydrophobicContact CE1-CB 4.16Å; Y358-R378 HydrophobicContact CE1-CG 3.79Å; Y358-R378 VanDerWaalsContact CE2-CA 3.49Å; Y358-R378 HydrophobicContact CE2-CB 4.17Å; Y358-R405 HydrophobicContact CE1-CB 4.09Å; Y358-R405 HydrophobicContact CE2-CB 4.44Å; Y358-R405 PolarHBondContact N-O 2.86Å; Y358-R405 PolarHBondContact O-N 3.34Å; Y358-K407 HydrophobicContact CD1-CB 4.15Å; Y358-K407 HydrophobicContact CD1-CG 4.39Å; Y358-K407 HydrophobicContact CE1-CB 4.36Å; Y358-K407 HydrophobicContact CE1-CG 4.46Å; Y358-D416 HydrophobicContact CE1-CB 4.12Å; Y358-D416 WeakPolarHBondContact CE1-OD2 3.28Å; Y358-D416 WeakPolarHBondContact OH-CB 3.28Å; Y358-D416 PolarHBondContact OH-OD2 3.31Å
359V97.3Very high86.7Confident0 Ų056.6 Ų56.60%029%0.289CS..EExtended strand (participates in β ladder)trans-82.3134.6173.3177.70000109.6R380 S385 L388 F389 M392 A402 T403 L404V359-R380 VanDerWaalsContact O-CD 3.28Å; V359-R380 WeakPolarHBondContact O-CD 3.42Å; V359-R380 PolarHBondContact O-NH1 2.9Å; V359-S385 WeakPolarHBondContact CG2-O 3.33Å; V359-S385 PolarHBondContact N-OG 3.11Å; V359-L388 HydrophobicContact CB-CB 4.04Å; V359-L388 HydrophobicContact CB-CD1 4.35Å; V359-L388 HydrophobicContact CG1-CB 4.01Å; V359-L388 HydrophobicContact CG1-CD1 4.38Å; V359-L388 HydrophobicContact CG2-CB 3.93Å; V359-F389 HydrophobicContact CG2-CB 3.92Å; V359-M392 HydrophobicContact CG1-SD 3.72Å; V359-M392 HydrophobicContact CG2-SD 4.03Å; V359-A402 HydrophobicContact CG1-CB 4.2Å; V359-T403 CarbonylContact C-O 3.47Å; V359-T403 WeakPolarHBondContact CA-O 3.33Å; V359-L404 HydrophobicContact CG2-CD1 4.05Å
360C95.1Very high84.6Confident0 Ų065.3 Ų65.30%033%0.329CS..EExtended strand (participates in β ladder)trans-125.9140.5-176.1177.10000110.9Y358 Q362 S375 A402 T403 R405Y358-C360 HydrophobicContact CD2-CB 4.23Å; Y358-C360 HydrophobicContact CE2-CB 3.76Å; C360-Q362 PolarHBondContact SG-N 3.02Å; C360-Q362 VanDerWaalsContact SG-N 3.39Å; C360-S375 PolarHBondContact SG-OG 3.27Å; C360-A402 CarbonylContact O-C 3.59Å; C360-A402 WeakPolarHBondContact O-CA 3.47Å; C360-T403 PolarHBondContact N-O 2.7Å; C360-T403 PolarHBondContact O-N 3.38Å; C360-T403 PolarHBondContact O-OG1 2.78Å; C360-R405 VanDerWaalsContact CB-CD 3.44Å; C360-R405 HydrophobicContact CB-CG 3.97Å
361H94.1Very high82.7Confident44 Ų4470.9 Ų70.920%0.20436%0.358CS..  trans-110.69.7177.8-57.9-72.2000113.6K363 W377 R380 E401H361-K363 PolarHBondContact O-N 2.64Å; H361-W377 VanDerWaalsContact C-CZ3 3.48Å; H361-W377 HydrophobicContact CB-CD2 4.21Å; H361-W377 HydrophobicContact CB-CE3 4.14Å; H361-W377 HydrophobicContact CB-CH2 3.75Å; H361-W377 HydrophobicContact CB-CZ2 3.81Å; H361-W377 HydrophobicContact CB-CZ3 3.92Å; H361-W377 AromaticContact CD2-CE2 3.93Å; H361-W377 AromaticContact CD2-NE1 3.89Å; H361-R380 PolarHBondContact CD2-NH1 3.29Å; H361-R380 PolarHBondContact NE2-NH1 3.34Å; H361-R380 VanDerWaalsContact NE2-NH1 3.17Å; H361-E401 PolarHBondContact ND1-O 3.43Å
362Q89.6Confident81.2Confident9 Ų973.1 Ų73.14%0.04237%0.372CS..  trans-63135.7171.4-69.3-177.6-59.600109.8C360 E366 L367 P373 S375 W377C360-Q362 PolarHBondContact SG-N 3.02Å; C360-Q362 VanDerWaalsContact SG-N 3.39Å; Q362-E366 WeakPolarHBondContact CA-OE2 3.43Å; Q362-L367 HydrophobicContact CB-CD2 4.32Å; Q362-L367 HydrophobicContact CB-CG 4.38Å; Q362-P373 PolarHBondContact NE2-O 2.78Å; Q362-S375 VanDerWaalsContact OE1-CB 3.27Å; Q362-S375 PolarHBondContact OE1-OG 3.49Å; Q362-W377 HydrophobicContact CB-CZ3 4.32Å; Q362-W377 HydrophobicContact CG-CE3 4Å; Q362-W377 HydrophobicContact CG-CZ3 3.57Å; Q362-W377 VanDerWaalsContact N-CZ3 3.26Å
363K84.6Confident79.9Confident131 Ų13176.7 Ų76.757%0.5740%0.395SS*.  trans-79.7156.2177.5-68-174.1178.1-177.10110.9H361 E365 E366 L367H361-K363 PolarHBondContact O-N 2.64Å; K363-E365 PolarHBondContact O-N 3.4Å; K363-E365 VanDerWaalsContact O-N 3.1Å; K363-E366 PolarHBondContact N-OE2 3.34Å; K363-E366 VanDerWaalsContact N-OE2 3.17Å; K363-E366 WeakPolarHBondContact O-CB 3.41Å; K363-E366 PolarHBondContact O-N 3.28Å; K363-L367 PolarHBondContact O-N 2.96Å
364G73.1Confident79.1Confident51 Ų5173.3 Ų73.353%0.52639%0.393SS..THydrogen-bonded Turntrans-57.3-26.4179.400000114.7
365E68Low78.6Confident160 Ų16069.4 Ų69.475%0.74838%0.38SS*.THydrogen-bonded Turntrans-73.6-35.3176.6-63-174.1162.100112.5K363 L367 K368K363-E365 PolarHBondContact O-N 3.4Å; K363-E365 VanDerWaalsContact O-N 3.1Å; E365-L367 PolarHBondContact O-N 3.17Å; E365-K368 PolarHBondContact O-N 3.43Å
366E67.2Low78.4Confident103 Ų10372.9 Ų72.948%0.48140%0.398SS..THydrogen-bonded Turntrans-73.4-16176.6-59.8171.1171.800112.2Q362 K363Q362-E366 WeakPolarHBondContact CA-OE2 3.43Å; K363-E366 PolarHBondContact N-OE2 3.34Å; K363-E366 VanDerWaalsContact N-OE2 3.17Å; K363-E366 WeakPolarHBondContact O-CB 3.41Å; K363-E366 PolarHBondContact O-N 3.28Å
367L66.1Low78.3Confident48 Ų4873.2 Ų73.225%0.25140%0.396SS..THydrogen-bonded Turntrans-91.9-2176.2-63.3169.5000112.9Q362 K363 E365 V372Q362-L367 HydrophobicContact CB-CD2 4.32Å; Q362-L367 HydrophobicContact CB-CG 4.38Å; K363-L367 PolarHBondContact O-N 2.96Å; E365-L367 PolarHBondContact O-N 3.17Å; L367-V372 HydrophobicContact CD2-CG1 3.93Å; L367-V372 WeakPolarHBondContact O-CG2 3.25Å
368K58.7Low78.1Confident173 Ų17375.6 Ų75.675%0.75240%0.404SS*.  trans-97.2117.4177.5-74.5176.9-178.6177.10110.6E365E365-K368 PolarHBondContact O-N 3.43Å
369G56.7Low77.9Confident56 Ų5681.4 Ų81.458%0.57744%0.435SS*.SBendtrans151.4166.9174.200000112.7N371 V372G369-N371 VanDerWaalsContact C-N 3.33Å; G369-V372 WeakPolarHBondContact O-CG2 3.48Å
370H53.6Low77.8Confident201 Ų20183 Ų8393%0.93144%0.441SS*.SBendtrans-74.1-22177.1-86-91.7000113.4
371N57.8Low77.8Confident160 Ų16086.9 Ų86.986%0.85647%0.466SS*.SBendtrans-122.873.2177.6-78.8-12.8000110.1G369 P373G369-N371 VanDerWaalsContact C-N 3.33Å; N371-P373 WeakPolarHBondContact O-CD 3.48Å
372V65.3Low77.9Confident47 Ų4788.1 Ų88.129%0.28547%0.474SS..PPolyproline II helixtrans-71.5118.5175.2-177.30000108.5L367 G369L367-V372 HydrophobicContact CD2-CG1 3.93Å; L367-V372 WeakPolarHBondContact O-CG2 3.25Å; G369-V372 WeakPolarHBondContact O-CG2 3.48Å
373P70Confident78.3Confident76 Ų7694.2 Ų94.249%0.49450%0.502SS..PPolyproline II helixtrans-63.4143.9178.325.7-32.5000110.4Q362 N371 S375Q362-P373 PolarHBondContact NE2-O 2.78Å; N371-P373 WeakPolarHBondContact O-CD 3.48Å; P373-S375 PolarHBondContact O-N 3.3Å
374P79.8Confident78.8Confident85 Ų8591.9 Ų91.955%0.55249%0.493SS*.PPolyproline II helixtrans-55.8142177.124.4-33000109.8P376 M415P374-P376 WeakPolarHBondContact O-CD 3.24Å; P374-M415 HydrophobicContact CB-CE 3.92Å
375S87.4Confident79.9Confident7 Ų789.5 Ų89.55%0.04947%0.469CS..PPolyproline II helixtrans-60.3128.3-178.9-1760000110.5Y358 C360 Q362 P373 W377 R378Y358-S375 WeakPolarHBondContact OH-CB 3.2Å; C360-S375 PolarHBondContact SG-OG 3.27Å; Q362-S375 VanDerWaalsContact OE1-CB 3.27Å; Q362-S375 PolarHBondContact OE1-OG 3.49Å; P373-S375 PolarHBondContact O-N 3.3Å; S375-W377 PolarHBondContact O-N 2.92Å; S375-W377 PolarHBondContact OG-N 3.22Å; S375-R378 VanDerWaalsContact O-CB 3.26Å; S375-R378 WeakPolarHBondContact O-CB 3.38Å; S375-R378 PolarHBondContact O-N 2.93Å; S375-R378 VanDerWaalsContact O-N 3.07Å
376P90.9Very high81.3Confident99 Ų9983.4 Ų83.464%0.64344%0.441SS*.THydrogen-bonded Turntrans-57-21.6173.3-25.134.1000113.2P374P374-P376 WeakPolarHBondContact O-CD 3.24Å
377W93.8Very high82.8Confident78 Ų7881.9 Ų81.930%0.29544%0.439SS..THydrogen-bonded Turntrans-98.14.1-176.3-60-75.3000113.7Y358 H361 Q362 S375 D379 R380Y358-W377 HydrophobicContact CD2-CB 4.37Å; Y358-W377 WeakPolarHBondContact CD2-O 3.28Å; Y358-W377 HydrophobicContact CE2-CB 4.5Å; H361-W377 VanDerWaalsContact C-CZ3 3.48Å; H361-W377 HydrophobicContact CB-CD2 4.21Å; H361-W377 HydrophobicContact CB-CE3 4.14Å; H361-W377 HydrophobicContact CB-CH2 3.75Å; H361-W377 HydrophobicContact CB-CZ2 3.81Å; H361-W377 HydrophobicContact CB-CZ3 3.92Å; H361-W377 AromaticContact CD2-CE2 3.93Å; H361-W377 AromaticContact CD2-NE1 3.89Å; Q362-W377 HydrophobicContact CB-CZ3 4.32Å; Q362-W377 HydrophobicContact CG-CE3 4Å; Q362-W377 HydrophobicContact CG-CZ3 3.57Å; Q362-W377 VanDerWaalsContact N-CZ3 3.26Å; S375-W377 PolarHBondContact O-N 2.92Å; S375-W377 PolarHBondContact OG-N 3.22Å; W377-D379 VanDerWaalsContact C-N 3.28Å; W377-D379 PolarHBondContact O-N 3.32Å; W377-R380 VanDerWaalsContact CD1-CZ 3.44Å; W377-R380 VanDerWaalsContact CD1-NH2 3.3Å; W377-R380 WeakPolarHBondContact O-CB 3.41Å; W377-R380 WeakPolarHBondContact O-CD 3.37Å; W377-R380 WeakPolarHBondContact O-CG 3.45Å; W377-R380 PolarHBondContact O-N 2.95Å
378R93.1Very high84.2Confident56 Ų5680.4 Ų80.421%0.21143%0.431CS..THydrogen-bonded Turntrans-60.9-33.5-175.9-173.3175-158.5-85.3-3.9114.4Y358 S375 K407 D416Y358-R378 HydrophobicContact CD1-CG 4.38Å; Y358-R378 HydrophobicContact CE1-CB 4.16Å; Y358-R378 HydrophobicContact CE1-CG 3.79Å; Y358-R378 VanDerWaalsContact CE2-CA 3.49Å; Y358-R378 HydrophobicContact CE2-CB 4.17Å; S375-R378 VanDerWaalsContact O-CB 3.26Å; S375-R378 WeakPolarHBondContact O-CB 3.38Å; S375-R378 PolarHBondContact O-N 2.93Å; S375-R378 VanDerWaalsContact O-N 3.07Å; R378-K407 HydrophobicContact CG-CD 4.46Å; R378-K407 HydrophobicContact CG-CG 4.34Å; R378-K407 VanDerWaalsContact NH1-CE 3.3Å; R378-K407 WeakPolarHBondContact O-CE 3.4Å; R378-K407 PolarHBondContact O-NZ 2.91Å; R378-D416 VanDerWaalsContact CD-OD2 3.27Å; R378-D416 WeakPolarHBondContact CD-OD2 3.47Å; R378-D416 IonicContact CZ-OD1 3.53Å; R378-D416 IonicContact CZ-OD2 3.87Å; R378-D416 IonicContact NE-OD1 3.19Å; R378-D416 PolarHBondContact NE-OD1 3.21Å; R378-D416 IonicContact NE-OD2 2.83Å; R378-D416 PolarHBondContact NE-OD2 3.25Å; R378-D416 IonicContact NH2-OD1 2.96Å; R378-D416 PolarHBondContact NH2-OD1 3.25Å
379D93.6Very high86.1Confident125 Ų12572.2 Ų72.267%0.66840%0.395SS*.THydrogen-bonded Turntrans-108.618-176.2-62.2-48.8000112.5W377 K407W377-D379 VanDerWaalsContact C-N 3.28Å; W377-D379 PolarHBondContact O-N 3.32Å; D379-K407 IonicContact OD1-NZ 2.69Å; D379-K407 PolarHBondContact OD1-NZ 2.87Å
380R94.8Very high88Confident34 Ų3473 Ų7313%0.12838%0.384CS..  trans-62.8149.717581.6-165.3-36.7176.73.1111.1V359 H361 W377 E384 S385 L388V359-R380 VanDerWaalsContact O-CD 3.28Å; V359-R380 WeakPolarHBondContact O-CD 3.42Å; V359-R380 PolarHBondContact O-NH1 2.9Å; H361-R380 PolarHBondContact CD2-NH1 3.29Å; H361-R380 PolarHBondContact NE2-NH1 3.34Å; H361-R380 VanDerWaalsContact NE2-NH1 3.17Å; W377-R380 VanDerWaalsContact CD1-CZ 3.44Å; W377-R380 VanDerWaalsContact CD1-NH2 3.3Å; W377-R380 WeakPolarHBondContact O-CB 3.41Å; W377-R380 WeakPolarHBondContact O-CD 3.37Å; W377-R380 WeakPolarHBondContact O-CG 3.45Å; W377-R380 PolarHBondContact O-N 2.95Å; R380-E384 IonicContact CZ-OE1 3.25Å; R380-E384 VanDerWaalsContact CZ-OE1 3.25Å; R380-E384 IonicContact NE-OE1 3.15Å; R380-E384 PolarHBondContact NE-OE1 2.87Å; R380-E384 VanDerWaalsContact NE-OE1 3.15Å; R380-E384 IonicContact NH2-OE1 2.67Å; R380-E384 PolarHBondContact NH2-OE1 2.88Å; R380-S385 WeakPolarHBondContact CD-OG 3.46Å; R380-S385 VanDerWaalsContact CG-OG 3.26Å; R380-S385 WeakPolarHBondContact CG-OG 3.35Å; R380-L388 VanDerWaalsContact NH1-CD1 3.26Å
381P96.7Very high90.1Very high81 Ų8169.1 Ų69.153%0.52636%0.361SS..  trans-55.4147.2178.4-25.534.5000113.2E383 E384 S385P381-E383 VanDerWaalsContact C-N 3.34Å; P381-E383 PolarHBondContact O-N 3.48Å; P381-E384 HydrophobicContact CB-CB 4.35Å; P381-E384 WeakPolarHBondContact CD-OE2 3.1Å; P381-E384 WeakPolarHBondContact O-CB 3.46Å; P381-E384 PolarHBondContact O-N 2.86Å; P381-E384 VanDerWaalsContact O-N 3.17Å; P381-S385 PolarHBondContact O-N 3.49Å; P381-S385 VanDerWaalsContact O-N 3.16Å
382I96.3Very high91.9Very high71 Ų7161.5 Ų61.536%0.36432%0.32SS..Hα-helixtrans-57.2-47.5179.3-67.8171.9000110.9I352 E384 S385 L386I352-I382 HydrophobicContact CG2-CG2 4.26Å; I352-I382 WeakPolarHBondContact O-CG2 3.11Å; I382-E384 VanDerWaalsContact C-N 3.26Å; I382-E384 PolarHBondContact O-N 3.17Å; I382-S385 PolarHBondContact O-N 2.87Å; I382-S385 VanDerWaalsContact O-N 3.1Å; I382-L386 HydrophobicContact CG2-CD1 4.14Å; I382-L386 HydrophobicContact CG2-CG 4.43Å; I382-L386 WeakPolarHBondContact O-CG 3.43Å; I382-L386 PolarHBondContact O-N 3.24Å
383E96.1Very high93.4Very high136 Ų13661.7 Ų61.764%0.63632%0.317SS*.Hα-helixtrans-58-38.1178.8-63.8-56.7146.400112.6P381 L386 V387P381-E383 VanDerWaalsContact C-N 3.34Å; P381-E383 PolarHBondContact O-N 3.48Å; E383-L386 PolarHBondContact O-N 2.93Å; E383-V387 WeakPolarHBondContact O-CG2 3.48Å; E383-V387 PolarHBondContact O-N 3.1Å
384E96.3Very high94.6Very high83 Ų8364.4 Ų64.439%0.38832%0.321SS..Hα-helixtrans-66.6-43.3177.2-166.9-173145.400111R380 P381 I382 L386 V387 L388R380-E384 IonicContact CZ-OE1 3.25Å; R380-E384 VanDerWaalsContact CZ-OE1 3.25Å; R380-E384 IonicContact NE-OE1 3.15Å; R380-E384 PolarHBondContact NE-OE1 2.87Å; R380-E384 VanDerWaalsContact NE-OE1 3.15Å; R380-E384 IonicContact NH2-OE1 2.67Å; R380-E384 PolarHBondContact NH2-OE1 2.88Å; P381-E384 HydrophobicContact CB-CB 4.35Å; P381-E384 WeakPolarHBondContact CD-OE2 3.1Å; P381-E384 WeakPolarHBondContact O-CB 3.46Å; P381-E384 PolarHBondContact O-N 2.86Å; P381-E384 VanDerWaalsContact O-N 3.17Å; I382-E384 VanDerWaalsContact C-N 3.26Å; I382-E384 PolarHBondContact O-N 3.17Å; E384-L386 VanDerWaalsContact C-N 3.34Å; E384-L386 PolarHBondContact O-N 3.46Å; E384-V387 PolarHBondContact O-N 3.21Å; E384-L388 HydrophobicContact CG-CD1 4Å; E384-L388 WeakPolarHBondContact O-CB 3.28Å; E384-L388 VanDerWaalsContact O-CG 3.22Å; E384-L388 WeakPolarHBondContact O-CG 3.45Å; E384-L388 PolarHBondContact O-N 3.4Å
385S96.8Very high95.3Very high1 Ų161.8 Ų61.81%0.00731%0.31CS..Hα-helixtrans-63.2-38.7175.9-680000112.3V359 R380 P381 I382 L388 F389V359-S385 WeakPolarHBondContact CG2-O 3.33Å; V359-S385 PolarHBondContact N-OG 3.11Å; R380-S385 WeakPolarHBondContact CD-OG 3.46Å; R380-S385 VanDerWaalsContact CG-OG 3.26Å; R380-S385 WeakPolarHBondContact CG-OG 3.35Å; P381-S385 PolarHBondContact O-N 3.49Å; P381-S385 VanDerWaalsContact O-N 3.16Å; I382-S385 PolarHBondContact O-N 2.87Å; I382-S385 VanDerWaalsContact O-N 3.1Å; S385-L388 PolarHBondContact O-N 2.94Å; S385-F389 VanDerWaalsContact O-CB 3.27Å; S385-F389 WeakPolarHBondContact O-CB 3.29Å; S385-F389 PolarHBondContact O-N 2.89Å
386L96.9Very high95.6Very high32 Ų3267 Ų6717%0.16834%0.335CS..Hα-helixtrans-62.8-48.4176.4-71.7173.8000111.7V349 I352 R353 I382 E383 E384 L388 F389 E390V349-L386 HydrophobicContact CG1-CD2 3.89Å; I352-L386 HydrophobicContact CB-CD2 3.96Å; I352-L386 HydrophobicContact CD1-CD2 4.4Å; I352-L386 HydrophobicContact CG2-CD2 3.7Å; I352-L386 HydrophobicContact CG2-CG 3.79Å; R353-L386 HydrophobicContact CG-CD1 4.19Å; R353-L386 HydrophobicContact CG-CD2 4.23Å; I382-L386 HydrophobicContact CG2-CD1 4.14Å; I382-L386 HydrophobicContact CG2-CG 4.43Å; I382-L386 WeakPolarHBondContact O-CG 3.43Å; I382-L386 PolarHBondContact O-N 3.24Å; E383-L386 PolarHBondContact O-N 2.93Å; E384-L386 VanDerWaalsContact C-N 3.34Å; E384-L386 PolarHBondContact O-N 3.46Å; L386-L388 VanDerWaalsContact C-N 3.34Å; L386-L388 PolarHBondContact O-N 3.28Å; L386-F389 PolarHBondContact O-N 2.98Å; L386-E390 PolarHBondContact O-N 3.01Å; L386-E390 VanDerWaalsContact O-N 3.09Å
387V97.4Very high95.8Very high71 Ų7164.1 Ų64.143%0.4331%0.312SS..Hα-helixtrans-61.8-44.5177.9171.80000110.7E383 E384 R391E383-V387 WeakPolarHBondContact O-CG2 3.48Å; E383-V387 PolarHBondContact O-N 3.1Å; E384-V387 PolarHBondContact O-N 3.21Å; V387-R391 VanDerWaalsContact O-CG 3.26Å; V387-R391 WeakPolarHBondContact O-CG 2.87Å; V387-R391 PolarHBondContact O-N 2.73Å
388L96.9Very high95.9Very high17 Ų1762.6 Ų62.69%0.08932%0.316CS..Hα-helixtrans-67.4-39.6-179.3-70.3171.5000112.3V359 R380 E384 S385 L386 R391 M392 F397V359-L388 HydrophobicContact CB-CB 4.04Å; V359-L388 HydrophobicContact CB-CD1 4.35Å; V359-L388 HydrophobicContact CG1-CB 4.01Å; V359-L388 HydrophobicContact CG1-CD1 4.38Å; V359-L388 HydrophobicContact CG2-CB 3.93Å; R380-L388 VanDerWaalsContact NH1-CD1 3.26Å; E384-L388 HydrophobicContact CG-CD1 4Å; E384-L388 WeakPolarHBondContact O-CB 3.28Å; E384-L388 VanDerWaalsContact O-CG 3.22Å; E384-L388 WeakPolarHBondContact O-CG 3.45Å; E384-L388 PolarHBondContact O-N 3.4Å; S385-L388 PolarHBondContact O-N 2.94Å; L386-L388 VanDerWaalsContact C-N 3.34Å; L386-L388 PolarHBondContact O-N 3.28Å; L388-R391 CarbonylContact O-C 3.54Å; L388-R391 WeakPolarHBondContact O-CB 3.29Å; L388-R391 PolarHBondContact O-N 2.99Å; L388-M392 VanDerWaalsContact O-CG 3.3Å; L388-M392 WeakPolarHBondContact O-CG 3.18Å; L388-M392 PolarHBondContact O-N 3.03Å; L388-F397 HydrophobicContact CD2-CE2 4.31Å; L388-F397 HydrophobicContact CD2-CZ 3.82Å
389F97.8Very high95.9Very high1 Ų165 Ų650%0.00433%0.33CS..Hα-helixtrans-67-39.2179.2-171.1-126.5000111.9Y345 A348 V349 I352 V359 S385 L386 R391 M392 K393 L404 Y420 I436Y345-F389 HydrophobicContact CD2-CD1 4.45Å; Y345-F389 AromaticContact CD2-CE1 3.53Å; Y345-F389 HydrophobicContact CD2-CE1 3.53Å; Y345-F389 AromaticContact CD2-CZ 3.81Å; Y345-F389 HydrophobicContact CD2-CZ 3.81Å; Y345-F389 AromaticContact CE2-CD1 3.73Å; Y345-F389 HydrophobicContact CE2-CD1 3.73Å; Y345-F389 AromaticContact CE2-CE1 3.23Å; Y345-F389 HydrophobicContact CE2-CE1 3.23Å; Y345-F389 AromaticContact CE2-CZ 3.77Å; Y345-F389 HydrophobicContact CE2-CZ 3.77Å; A348-F389 HydrophobicContact CB-CE1 3.87Å; A348-F389 HydrophobicContact CB-CZ 4.01Å; V349-F389 HydrophobicContact CG2-CD1 4.16Å; V349-F389 HydrophobicContact CG2-CE1 4.21Å; I352-F389 HydrophobicContact CD1-CB 3.93Å; I352-F389 HydrophobicContact CD1-CD1 3.75Å; I352-F389 HydrophobicContact CD1-CG 3.95Å; V359-F389 HydrophobicContact CG2-CB 3.92Å; S385-F389 VanDerWaalsContact O-CB 3.27Å; S385-F389 WeakPolarHBondContact O-CB 3.29Å; S385-F389 PolarHBondContact O-N 2.89Å; L386-F389 PolarHBondContact O-N 2.98Å; F389-R391 VanDerWaalsContact C-N 3.33Å; F389-R391 PolarHBondContact O-N 2.86Å; F389-M392 HydrophobicContact CD2-CE 4.31Å; F389-M392 HydrophobicContact CD2-SD 4.02Å; F389-M392 WeakPolarHBondContact O-CB 3.13Å; F389-M392 PolarHBondContact O-N 2.92Å; F389-K393 PolarHBondContact O-N 3.24Å; F389-L404 HydrophobicContact CD2-CB 4.14Å; F389-L404 HydrophobicContact CD2-CD1 4.18Å; F389-L404 HydrophobicContact CD2-CD2 4.19Å; F389-L404 HydrophobicContact CD2-CG 4.4Å; F389-L404 HydrophobicContact CE1-CD2 4.21Å; F389-L404 HydrophobicContact CE2-CB 3.95Å; F389-L404 HydrophobicContact CE2-CD2 3.77Å; F389-L404 HydrophobicContact CE2-CG 4.3Å; F389-L404 HydrophobicContact CG-CD1 4.42Å; F389-L404 HydrophobicContact CZ-CD2 3.78Å; F389-Y420 HydrophobicContact CE2-CD1 4.28Å; F389-Y420 HydrophobicContact CE2-CD2 4.23Å; F389-Y420 AromaticContact CE2-CG 3.91Å; F389-Y420 HydrophobicContact CE2-CG 3.91Å; F389-Y420 HydrophobicContact CZ-CD1 4.14Å; F389-Y420 AromaticContact CZ-CD2 3.95Å; F389-Y420 HydrophobicContact CZ-CD2 3.95Å; F389-Y420 HydrophobicContact CZ-CE1 4.34Å; F389-Y420 HydrophobicContact CZ-CE2 4.17Å; F389-Y420 AromaticContact CZ-CG 3.94Å; F389-Y420 HydrophobicContact CZ-CG 3.94Å; F389-I436 HydrophobicContact CD2-CD1 4.5Å; F389-I436 HydrophobicContact CE2-CD1 3.78Å; F389-I436 HydrophobicContact CZ-CD1 3.85Å
390E97.1Very high95.7Very high71 Ų7161.1 Ų61.133%0.33232%0.32SS..Hα-helixtrans-63.6-38.3171.7-178.963.3-158.600111.7Y345 L386 M392 K393 K394Y345-E390 PolarHBondContact OH-OE2 2.74Å; L386-E390 PolarHBondContact O-N 3.01Å; L386-E390 VanDerWaalsContact O-N 3.09Å; E390-M392 VanDerWaalsContact C-N 3.33Å; E390-K393 PolarHBondContact O-N 3.1Å; E390-K394 WeakPolarHBondContact O-CG 3.25Å; E390-K394 PolarHBondContact O-N 2.97Å; E390-K394 WeakPolarHBondContact OE1-CE 3.47Å; E390-K394 IonicContact OE1-NZ 2.77Å
391R96.8Very high95.6Very high120 Ų12064.1 Ų64.145%0.45334%0.335SS..Hα-helixtrans-65.7-35173.1-71.6179.8-173.3-174.82.9112.5V387 L388 F389 K394 G395 M396 F397V387-R391 VanDerWaalsContact O-CG 3.26Å; V387-R391 WeakPolarHBondContact O-CG 2.87Å; V387-R391 PolarHBondContact O-N 2.73Å; L388-R391 CarbonylContact O-C 3.54Å; L388-R391 WeakPolarHBondContact O-CB 3.29Å; L388-R391 PolarHBondContact O-N 2.99Å; F389-R391 VanDerWaalsContact C-N 3.33Å; F389-R391 PolarHBondContact O-N 2.86Å; R391-K394 PolarHBondContact O-N 3.33Å; R391-G395 PolarHBondContact O-N 3.4Å; R391-M396 HydrophobicContact CB-CB 4.23Å; R391-M396 HydrophobicContact CB-CG 4.37Å; R391-M396 HydrophobicContact CB-SD 3.91Å; R391-M396 HydrophobicContact CG-SD 3.63Å; R391-M396 WeakPolarHBondContact O-CB 3.35Å; R391-M396 PolarHBondContact O-N 3.04Å; R391-M396 VanDerWaalsContact O-N 3.1Å; R391-F397 HydrophobicContact CB-CE2 3.85Å
392M96.6Very high95.5Very high0 Ų060.3 Ų60.30%031%0.31CS..Hα-helixtrans-62.2-45.3171.8-65.8168.358.400110.6V359 L388 F389 E390 K394 G395 F397 A402 I422 C435 I436V359-M392 HydrophobicContact CG1-SD 3.72Å; V359-M392 HydrophobicContact CG2-SD 4.03Å; L388-M392 VanDerWaalsContact O-CG 3.3Å; L388-M392 WeakPolarHBondContact O-CG 3.18Å; L388-M392 PolarHBondContact O-N 3.03Å; F389-M392 HydrophobicContact CD2-CE 4.31Å; F389-M392 HydrophobicContact CD2-SD 4.02Å; F389-M392 WeakPolarHBondContact O-CB 3.13Å; F389-M392 PolarHBondContact O-N 2.92Å; E390-M392 VanDerWaalsContact C-N 3.33Å; M392-K394 PolarHBondContact O-N 3.29Å; M392-G395 PolarHBondContact O-N 3.35Å; M392-G395 VanDerWaalsContact O-N 3.11Å; M392-F397 HydrophobicContact CB-CD2 4.44Å; M392-F397 HydrophobicContact CG-CD2 3.71Å; M392-F397 HydrophobicContact CG-CE2 4.09Å; M392-A402 HydrophobicContact CE-CB 4.23Å; M392-A402 HydrophobicContact CG-CB 3.88Å; M392-A402 HydrophobicContact SD-CB 3.79Å; M392-I422 HydrophobicContact CB-CD1 4.38Å; M392-I422 HydrophobicContact CE-CD1 4.31Å; M392-I422 HydrophobicContact CE-CG1 4.01Å; M392-I422 HydrophobicContact CG-CD1 4.18Å; M392-C435 PolarHBondContact O-SG 3.44Å; M392-I436 HydrophobicContact CB-CG2 3.86Å; M392-I436 WeakPolarHBondContact O-CG2 3.47Å
393K95.4Very high95.5Very high52 Ų5257.6 Ų57.623%0.22630%0.297CS..Hα-helixtrans-60.6-32.2175.5-173.7175.9178.71760112.9Y345 F389 E390 G395 W434 C435 I436Y345-K393 HydrophobicContact CD1-CD 4.5Å; Y345-K393 HydrophobicContact CD2-CD 4.18Å; Y345-K393 HydrophobicContact CE1-CD 4Å; Y345-K393 HydrophobicContact CE2-CB 4.27Å; Y345-K393 HydrophobicContact CE2-CD 3.67Å; Y345-K393 HydrophobicContact CE2-CG 4.43Å; F389-K393 PolarHBondContact O-N 3.24Å; E390-K393 PolarHBondContact O-N 3.1Å; K393-G395 VanDerWaalsContact C-N 3.28Å; K393-G395 PolarHBondContact O-N 2.94Å; K393-W434 HydrophobicContact CD-CZ3 4.07Å; K393-C435 PolarHBondContact O-SG 3Å; K393-I436 HydrophobicContact CB-CD1 3.71Å; K393-I436 HydrophobicContact CB-CG1 4.29Å; K393-I436 HydrophobicContact CG-CD1 4.18Å; K393-I436 HydrophobicContact CG-CG1 4.45Å
394K95.4Very high95.6Very high132 Ų13251.1 Ų51.157%0.57427%0.267SS*.THydrogen-bonded Turntrans-82.44.8177.1-71.1178.8178.5167.70114.6E390 R391 M392 M396E390-K394 WeakPolarHBondContact O-CG 3.25Å; E390-K394 PolarHBondContact O-N 2.97Å; E390-K394 WeakPolarHBondContact OE1-CE 3.47Å; E390-K394 IonicContact OE1-NZ 2.77Å; R391-K394 PolarHBondContact O-N 3.33Å; M392-K394 PolarHBondContact O-N 3.29Å; K394-M396 HydrophobicContact CB-CE 4.15Å; K394-M396 HydrophobicContact CB-CG 4.24Å; K394-M396 HydrophobicContact CD-CE 4.12Å; K394-M396 PolarHBondContact O-N 2.84Å
395G94.3Very high95.5Very high30 Ų3047.7 Ų47.731%0.30925%0.25SS..THydrogen-bonded Turntrans70.229.617800000114.5R391 M392 K393 F397 Y424 C435R391-G395 PolarHBondContact O-N 3.4Å; M392-G395 PolarHBondContact O-N 3.35Å; M392-G395 VanDerWaalsContact O-N 3.11Å; K393-G395 VanDerWaalsContact C-N 3.28Å; K393-G395 PolarHBondContact O-N 2.94Å; G395-F397 VanDerWaalsContact C-N 3.29Å; G395-F397 PolarHBondContact O-N 3.04Å; G395-Y424 VanDerWaalsContact C-OH 3.26Å; G395-Y424 WeakPolarHBondContact CA-OH 3.35Å; G395-Y424 PolarHBondContact O-OH 3.44Å; G395-Y424 VanDerWaalsContact O-OH 3.12Å; G395-C435 PolarHBondContact N-SG 3.34Å
396M95.6Very high95.4Very high118 Ų11847.8 Ų47.858%0.58125%0.251SS*.  trans-84.32.4-179.2-60.5-171.1177.900114.4R391 K394R391-M396 HydrophobicContact CB-CB 4.23Å; R391-M396 HydrophobicContact CB-CG 4.37Å; R391-M396 HydrophobicContact CB-SD 3.91Å; R391-M396 HydrophobicContact CG-SD 3.63Å; R391-M396 WeakPolarHBondContact O-CB 3.35Å; R391-M396 PolarHBondContact O-N 3.04Å; R391-M396 VanDerWaalsContact O-N 3.1Å; K394-M396 HydrophobicContact CB-CE 4.15Å; K394-M396 HydrophobicContact CB-CG 4.24Å; K394-M396 HydrophobicContact CD-CE 4.12Å; K394-M396 PolarHBondContact O-N 2.84Å
397F95.1Very high95.3Very high38 Ų3848.9 Ų48.917%0.16725%0.254CS..SBendtrans-134.2141.9-176.2-69.3-72.2000110.3L388 R391 M392 G395 E401 A402 I422 Y424L388-F397 HydrophobicContact CD2-CE2 4.31Å; L388-F397 HydrophobicContact CD2-CZ 3.82Å; R391-F397 HydrophobicContact CB-CE2 3.85Å; M392-F397 HydrophobicContact CB-CD2 4.44Å; M392-F397 HydrophobicContact CG-CD2 3.71Å; M392-F397 HydrophobicContact CG-CE2 4.09Å; G395-F397 VanDerWaalsContact C-N 3.29Å; G395-F397 PolarHBondContact O-N 3.04Å; F397-E401 HydrophobicContact CB-CB 4.31Å; F397-A402 HydrophobicContact CB-CB 4.45Å; F397-A402 HydrophobicContact CD1-CB 4.48Å; F397-A402 HydrophobicContact CD2-CB 4.27Å; F397-A402 HydrophobicContact CG-CB 4.17Å; F397-I422 HydrophobicContact CB-CD1 3.49Å; F397-I422 VanDerWaalsContact CB-CD1 3.49Å; F397-I422 HydrophobicContact CG-CD1 4.47Å; F397-Y424 WeakPolarHBondContact O-CE2 3.43Å; F397-Y424 PolarHBondContact O-OH 3.14Å
398A94.8Very high95Very high46 Ų4646.3 Ų46.338%0.3824%0.237SC..  trans-71.9165.6175.600000112G400 E401A398-G400 PolarHBondContact O-N 3.22Å; A398-E401 VanDerWaalsContact CB-CD 3.47Å; A398-E401 HydrophobicContact CB-CG 3.87Å; A398-E401 PolarHBondContact N-OE2 3.11Å; A398-E401 WeakPolarHBondContact O-CB 3.46Å; A398-E401 PolarHBondContact O-N 3.28Å; A398-E401 VanDerWaalsContact O-N 3.11Å
399E93.2Very high94.5Very high106 Ų10649.4 Ų49.450%0.49526%0.257SS..THydrogen-bonded Turntrans-57.3126.5177.7-59.9-166.4169.600111.2E401 K423 Y424E399-E401 VanDerWaalsContact C-N 3.31Å; E399-E401 PolarHBondContact O-N 2.7Å; E399-K423 WeakPolarHBondContact OE1-CA 3.28Å; E399-Y424 HydrophobicContact CG-CD2 3.69Å; E399-Y424 HydrophobicContact CG-CE2 4.21Å; E399-Y424 PolarHBondContact OE1-N 2.81Å
400G89.4Confident93.8Very high44 Ų4449.7 Ų49.745%0.45426%0.259SS..THydrogen-bonded Turntrans80.4-2.2179.800000115.9A398A398-G400 PolarHBondContact O-N 3.22Å
401E92.6Very high93Very high97 Ų9753.2 Ų53.245%0.45328%0.275SS..THydrogen-bonded Turntrans-75.6-27175.2-71.7-172.9165.100113.6H361 F397 A398 E399H361-E401 PolarHBondContact ND1-O 3.43Å; F397-E401 HydrophobicContact CB-CB 4.31Å; A398-E401 VanDerWaalsContact CB-CD 3.47Å; A398-E401 HydrophobicContact CB-CG 3.87Å; A398-E401 PolarHBondContact N-OE2 3.11Å; A398-E401 WeakPolarHBondContact O-CB 3.46Å; A398-E401 PolarHBondContact O-N 3.28Å; A398-E401 VanDerWaalsContact O-N 3.11Å; E399-E401 VanDerWaalsContact C-N 3.31Å; E399-E401 PolarHBondContact O-N 2.7Å
402A95.3Very high92.2Very high0 Ų052.2 Ų52.20%028%0.278CS..  trans-143.6145.3177.400000111.1V359 C360 M392 F397 I422V359-A402 HydrophobicContact CG1-CB 4.2Å; C360-A402 CarbonylContact O-C 3.59Å; C360-A402 WeakPolarHBondContact O-CA 3.47Å; M392-A402 HydrophobicContact CE-CB 4.23Å; M392-A402 HydrophobicContact CG-CB 3.88Å; M392-A402 HydrophobicContact SD-CB 3.79Å; F397-A402 HydrophobicContact CB-CB 4.45Å; F397-A402 HydrophobicContact CD1-CB 4.48Å; F397-A402 HydrophobicContact CD2-CB 4.27Å; F397-A402 HydrophobicContact CG-CB 4.17Å; A402-I422 HydrophobicContact CB-CD1 4.13Å
403T95.8Very high91.4Very high15 Ų1554.5 Ų54.59%0.09230%0.303CS..EExtended strand (participates in β ladder)trans-138.9147.3176.654.30000109.9V359 C360 V418V359-T403 CarbonylContact C-O 3.47Å; V359-T403 WeakPolarHBondContact CA-O 3.33Å; C360-T403 PolarHBondContact N-O 2.7Å; C360-T403 PolarHBondContact O-N 3.38Å; C360-T403 PolarHBondContact O-OG1 2.78Å; T403-V418 HydrophobicContact CG2-CG1 4.35Å
404L97.1Very high90.8Very high0 Ų057.2 Ų57.20%031%0.314CS..EExtended strand (participates in β ladder)trans-90129.8166.4-171.770.6000108.5A348 I352 A357 V359 F389 V418 A419 Y420A348-L404 HydrophobicContact CB-CD2 3.83Å; I352-L404 HydrophobicContact CD1-CD1 3.61Å; I352-L404 HydrophobicContact CD1-CD2 4.36Å; I352-L404 HydrophobicContact CG1-CD1 3.86Å; A357-L404 HydrophobicContact CB-CD1 4.26Å; A357-L404 HydrophobicContact CB-CG 4.41Å; V359-L404 HydrophobicContact CG2-CD1 4.05Å; F389-L404 HydrophobicContact CD2-CB 4.14Å; F389-L404 HydrophobicContact CD2-CD1 4.18Å; F389-L404 HydrophobicContact CD2-CD2 4.19Å; F389-L404 HydrophobicContact CD2-CG 4.4Å; F389-L404 HydrophobicContact CE1-CD2 4.21Å; F389-L404 HydrophobicContact CE2-CB 3.95Å; F389-L404 HydrophobicContact CE2-CD2 3.77Å; F389-L404 HydrophobicContact CE2-CG 4.3Å; F389-L404 HydrophobicContact CG-CD1 4.42Å; F389-L404 HydrophobicContact CZ-CD2 3.78Å; L404-V418 CarbonylContact O-C 3.58Å; L404-A419 HydrophobicContact CD2-CB 4.27Å; L404-A419 HydrophobicContact CG-CB 4.43Å; L404-A419 PolarHBondContact O-N 2.76Å; L404-Y420 HydrophobicContact CB-CD2 4.47Å; L404-Y420 HydrophobicContact CD2-CD2 3.88Å; L404-Y420 PolarHBondContact N-O 3.03Å; L404-Y420 VanDerWaalsContact N-O 3.16Å; L404-Y420 PolarHBondContact O-N 3.45Å
405R95.1Very high90.4Very high10 Ų1054 Ų544%0.03830%0.302CS..EExtended strand (participates in β ladder)trans-121.2141.2179.3-62.4-179.771.5178.51.1110.9A357 Y358 C360 M415 D416 P417 V418A357-R405 CarbonylContact C-O 3.59Å; A357-R405 WeakPolarHBondContact CA-O 3.26Å; A357-R405 WeakPolarHBondContact CB-O 3.49Å; Y358-R405 HydrophobicContact CE1-CB 4.09Å; Y358-R405 HydrophobicContact CE2-CB 4.44Å; Y358-R405 PolarHBondContact N-O 2.86Å; Y358-R405 PolarHBondContact O-N 3.34Å; C360-R405 VanDerWaalsContact CB-CD 3.44Å; C360-R405 HydrophobicContact CB-CG 3.97Å; R405-M415 PolarHBondContact NH2-O 2.88Å; R405-D416 HydrophobicContact CB-CB 4.26Å; R405-D416 VanDerWaalsContact CZ-O 3.27Å; R405-D416 PolarHBondContact NE-O 2.89Å; R405-D416 PolarHBondContact NH2-O 2.93Å; R405-P417 WeakPolarHBondContact CA-O 3.04Å; R405-V418 HydrophobicContact CG-CG2 4.22Å
406M95Very high90.2Very high4 Ų452.6 Ų52.62%0.0229%0.287CS..EExtended strand (participates in β ladder)trans-75.5133.8171.8-62.2-177.1-80.400108.7L351 M408 D416 P417 A419 Y442 W471 L472L351-M406 HydrophobicContact CD2-CG 4.14Å; M406-M408 HydrophobicContact CB-CG 4.33Å; M406-M408 PolarHBondContact O-N 2.82Å; M406-M408 VanDerWaalsContact O-N 3.13Å; M406-D416 CarbonylContact O-C 3.51Å; M406-D416 WeakPolarHBondContact O-CA 3Å; M406-D416 WeakPolarHBondContact O-CB 3.46Å; M406-P417 HydrophobicContact CB-CG 4.23Å; M406-P417 HydrophobicContact CE-CB 3.79Å; M406-P417 HydrophobicContact CE-CG 3.52Å; M406-P417 PolarHBondContact N-O 3.38Å; M406-A419 HydrophobicContact CG-CB 4.01Å; M406-Y442 HydrophobicContact SD-CD2 4.11Å; M406-W471 HydrophobicContact CB-CH2 3.91Å; M406-W471 HydrophobicContact CB-CZ3 3.78Å; M406-W471 HydrophobicContact CG-CH2 4.49Å; M406-W471 HydrophobicContact CG-CZ3 4.05Å; M406-W471 HydrophobicContact SD-CE3 4.49Å; M406-W471 HydrophobicContact SD-CZ3 3.82Å; M406-L472 HydrophobicContact SD-CD1 3.99Å; M406-L472 HydrophobicContact SD-CD2 4.3Å
407K94.1Very high89.9Confident54 Ų5447.2 Ų47.224%0.23526%0.261CS..SBendtrans-87.677.4-176.4-167.9172.1179.9159.30110.2H356 Y358 R378 D379 D416H356-K407 WeakPolarHBondContact O-CB 3.43Å; H356-K407 PolarHBondContact O-N 2.9Å; Y358-K407 HydrophobicContact CD1-CB 4.15Å; Y358-K407 HydrophobicContact CD1-CG 4.39Å; Y358-K407 HydrophobicContact CE1-CB 4.36Å; Y358-K407 HydrophobicContact CE1-CG 4.46Å; R378-K407 HydrophobicContact CG-CD 4.46Å; R378-K407 HydrophobicContact CG-CG 4.34Å; R378-K407 VanDerWaalsContact NH1-CE 3.3Å; R378-K407 WeakPolarHBondContact O-CE 3.4Å; R378-K407 PolarHBondContact O-NZ 2.91Å; D379-K407 IonicContact OD1-NZ 2.69Å; D379-K407 PolarHBondContact OD1-NZ 2.87Å; K407-D416 WeakPolarHBondContact CA-OD1 3.5Å
408M90.8Very high89.8Confident17 Ų1746.6 Ų46.68%0.08426%0.26CS..  trans-153.2165.2-178.267.5165.4-64.600112.1M406 M410 D416 P417 W471M406-M408 HydrophobicContact CB-CG 4.33Å; M406-M408 PolarHBondContact O-N 2.82Å; M406-M408 VanDerWaalsContact O-N 3.13Å; M408-M410 HydrophobicContact CE-CG 4.2Å; M408-D416 PolarHBondContact N-OD1 3.43Å; M408-D416 WeakPolarHBondContact O-CA 3.43Å; M408-D416 PolarHBondContact O-N 3.27Å; M408-P417 HydrophobicContact CG-CG 4.09Å; M408-P417 HydrophobicContact SD-CG 4.21Å; M408-W471 HydrophobicContact CB-CD2 4.17Å; M408-W471 HydrophobicContact CB-CH2 4.38Å; M408-W471 HydrophobicContact CB-CZ2 3.93Å; M408-W471 HydrophobicContact CE-CB 4.27Å; M408-W471 HydrophobicContact CE-CD2 4.39Å; M408-W471 HydrophobicContact CE-CG 4.18Å; M408-W471 HydrophobicContact CG-CD2 4.3Å; M408-W471 HydrophobicContact CG-CE3 4.28Å; M408-W471 HydrophobicContact CG-CH2 4.44Å; M408-W471 HydrophobicContact CG-CZ2 4.44Å; M408-W471 HydrophobicContact CG-CZ3 4.37Å; M408-W471 HydrophobicContact SD-CB 4.31Å; M408-W471 HydrophobicContact SD-CD2 3.53Å; M408-W471 VanDerWaalsContact SD-CD2 3.53Å; M408-W471 HydrophobicContact SD-CE3 3.4Å; M408-W471 HydrophobicContact SD-CG 3.93Å; M408-W471 HydrophobicContact SD-CZ3 3.96Å
409V87.9Confident89.8Confident83 Ų8344.4 Ų44.450%0.50324%0.242SC..BIsolated β-bridgetrans-113.3126.2169.6-175.90000107.7M415V409-M415 HydrophobicContact CG1-CG 4.31Å; V409-M415 HydrophobicContact CG2-CG 4.09Å; V409-M415 HydrophobicContact CG2-SD 4.16Å
410M82.9Confident90Very high7 Ų739.4 Ų39.43%0.03422%0.219CC..  trans-74.9161.2176.3-63.3-177.266.800110.8M408 D412 G413 K414 P417 R465M408-M410 HydrophobicContact CE-CG 4.2Å; M410-D412 WeakPolarHBondContact CB-OD1 3.4Å; M410-D412 PolarHBondContact O-N 2.88Å; M410-G413 PolarHBondContact O-N 2.88Å; M410-K414 HydrophobicContact CB-CB 4.21Å; M410-K414 WeakPolarHBondContact CB-O 3.42Å; M410-K414 HydrophobicContact CG-CB 4.44Å; M410-K414 PolarHBondContact N-O 2.7Å; M410-K414 HydrophobicContact SD-CB 4.1Å; M410-K414 HydrophobicContact SD-CD 4.01Å; M410-K414 HydrophobicContact SD-CG 4.33Å; M410-P417 HydrophobicContact CG-CG 4.18Å; M410-P417 HydrophobicContact SD-CB 4.04Å; M410-P417 HydrophobicContact SD-CG 4Å; M410-R465 HydrophobicContact CE-CB 4.33Å; M410-R465 HydrophobicContact CE-CG 4.01Å
411E80.6Confident90.3Very high144 Ų14443.7 Ų43.767%0.67322%0.222SC*.THydrogen-bonded Turntrans-61.4-29.6179.8-78.1173.6163.700113.6G413 S467E411-G413 PolarHBondContact O-N 3.36Å; E411-S467 VanDerWaalsContact CD-OG 3.27Å; E411-S467 WeakPolarHBondContact CG-OG 3.43Å; E411-S467 WeakPolarHBondContact OE1-CB 3.3Å; E411-S467 PolarHBondContact OE2-OG 3.41Å
412D78.9Confident90.4Very high99 Ų9939.4 Ų39.453%0.52920%0.201SC..THydrogen-bonded Turntrans-77.63.7175.368-8.2000113.3M410 K414M410-D412 WeakPolarHBondContact CB-OD1 3.4Å; M410-D412 PolarHBondContact O-N 2.88Å; D412-K414 VanDerWaalsContact C-N 3.28Å; D412-K414 PolarHBondContact O-N 3.49Å; D412-K414 WeakPolarHBondContact OD1-CB 3.11Å; D412-K414 PolarHBondContact OD1-N 2.96Å
413G81Confident90.4Very high49 Ų4942.4 Ų42.451%0.50522%0.215SC..SBendtrans83.1-1.6-177.800000114M410 E411 M415M410-G413 PolarHBondContact O-N 2.88Å; E411-G413 PolarHBondContact O-N 3.36Å; G413-M415 PolarHBondContact O-N 3.45Å
414K82.4Confident90.3Very high108 Ų10846.3 Ų46.347%0.4723%0.228SC..  trans-66.7119.6177.5-172.4177.2178.9-177.10110.1M410 D412M410-K414 HydrophobicContact CB-CB 4.21Å; M410-K414 WeakPolarHBondContact CB-O 3.42Å; M410-K414 HydrophobicContact CG-CB 4.44Å; M410-K414 PolarHBondContact N-O 2.7Å; M410-K414 HydrophobicContact SD-CB 4.1Å; M410-K414 HydrophobicContact SD-CD 4.01Å; M410-K414 HydrophobicContact SD-CG 4.33Å; D412-K414 VanDerWaalsContact C-N 3.28Å; D412-K414 PolarHBondContact O-N 3.49Å; D412-K414 WeakPolarHBondContact OD1-CB 3.11Å; D412-K414 PolarHBondContact OD1-N 2.96Å
415M86Confident90.1Very high64 Ų6449.1 Ų49.132%0.31525%0.246SC..BIsolated β-bridgetrans-86.9137.8-179.6-64.7-148.9-64.700112.4P374 R405 V409 G413P374-M415 HydrophobicContact CB-CE 3.92Å; R405-M415 PolarHBondContact NH2-O 2.88Å; V409-M415 HydrophobicContact CG1-CG 4.31Å; V409-M415 HydrophobicContact CG2-CG 4.09Å; V409-M415 HydrophobicContact CG2-SD 4.16Å; G413-M415 PolarHBondContact O-N 3.45Å
416D90.5Very high89.9Confident1 Ų152.2 Ų52.21%0.00527%0.267CS..SBendtrans45.375.1170.5-57.6-25.7000114Y358 R378 R405 M406 K407 M408Y358-D416 HydrophobicContact CE1-CB 4.12Å; Y358-D416 WeakPolarHBondContact CE1-OD2 3.28Å; Y358-D416 WeakPolarHBondContact OH-CB 3.28Å; Y358-D416 PolarHBondContact OH-OD2 3.31Å; R378-D416 VanDerWaalsContact CD-OD2 3.27Å; R378-D416 WeakPolarHBondContact CD-OD2 3.47Å; R378-D416 IonicContact CZ-OD1 3.53Å; R378-D416 IonicContact CZ-OD2 3.87Å; R378-D416 IonicContact NE-OD1 3.19Å; R378-D416 PolarHBondContact NE-OD1 3.21Å; R378-D416 IonicContact NE-OD2 2.83Å; R378-D416 PolarHBondContact NE-OD2 3.25Å; R378-D416 IonicContact NH2-OD1 2.96Å; R378-D416 PolarHBondContact NH2-OD1 3.25Å; R405-D416 HydrophobicContact CB-CB 4.26Å; R405-D416 VanDerWaalsContact CZ-O 3.27Å; R405-D416 PolarHBondContact NE-O 2.89Å; R405-D416 PolarHBondContact NH2-O 2.93Å; M406-D416 CarbonylContact O-C 3.51Å; M406-D416 WeakPolarHBondContact O-CA 3Å; M406-D416 WeakPolarHBondContact O-CB 3.46Å; K407-D416 WeakPolarHBondContact CA-OD1 3.5Å; M408-D416 PolarHBondContact N-OD1 3.43Å; M408-D416 WeakPolarHBondContact O-CA 3.43Å; M408-D416 PolarHBondContact O-N 3.27Å
417P90.3Very high89.7Confident5 Ų552.2 Ų52.23%0.03227%0.267CS..  trans-59.7145.6179.222.1-31000112.5R405 M406 M408 M410R405-P417 WeakPolarHBondContact CA-O 3.04Å; M406-P417 HydrophobicContact CB-CG 4.23Å; M406-P417 HydrophobicContact CE-CB 3.79Å; M406-P417 HydrophobicContact CE-CG 3.52Å; M406-P417 PolarHBondContact N-O 3.38Å; M408-P417 HydrophobicContact CG-CG 4.09Å; M408-P417 HydrophobicContact SD-CG 4.21Å; M410-P417 HydrophobicContact CG-CG 4.18Å; M410-P417 HydrophobicContact SD-CB 4.04Å; M410-P417 HydrophobicContact SD-CG 4Å
418V92.7Very high89.4Confident25 Ų2555 Ų5515%0.15228%0.281CS..EExtended strand (participates in β ladder)trans-74126.9-179179.50000110.1T403 L404 R405 Y420 R421 T439T403-V418 HydrophobicContact CG2-CG1 4.35Å; L404-V418 CarbonylContact O-C 3.58Å; R405-V418 HydrophobicContact CG-CG2 4.22Å; V418-Y420 WeakPolarHBondContact CG1-O 3.38Å; V418-R421 HydrophobicContact CG1-CG 3.8Å; V418-T439 HydrophobicContact CB-CG2 4.34Å; V418-T439 HydrophobicContact CG1-CG2 3.99Å; V418-T439 WeakPolarHBondContact O-CB 3.46Å; V418-T439 VanDerWaalsContact O-CG2 3.24Å; V418-T439 WeakPolarHBondContact O-CG2 3.23Å; V418-T439 PolarHBondContact O-OG1 3.11Å
419A95.3Very high89.4Confident0 Ų060 Ų600%030%0.299CS..EExtended strand (participates in β ladder)trans-93-41.5173.800000112.7L404 M406 P438 T439 Y442L404-A419 HydrophobicContact CD2-CB 4.27Å; L404-A419 HydrophobicContact CG-CB 4.43Å; L404-A419 PolarHBondContact O-N 2.76Å; M406-A419 HydrophobicContact CG-CB 4.01Å; A419-P438 CarbonylContact O-C 3.59Å; A419-P438 VanDerWaalsContact O-CA 3.22Å; A419-P438 WeakPolarHBondContact O-CA 3.19Å; A419-T439 PolarHBondContact O-N 3.04Å; A419-T439 PolarHBondContact O-OG1 3.49Å; A419-Y442 HydrophobicContact CB-CD2 3.76Å; A419-Y442 HydrophobicContact CB-CE2 4.28Å; A419-Y442 HydrophobicContact CB-CG 4.11Å
420Y97Very high89.5Confident1 Ų157.6 Ų57.60%0.00428%0.284CS..EExtended strand (participates in β ladder)trans-132.7147.5179.7-80.1-106.1000113L344 Y345 A348 F389 L404 V418 I436 Y437 P438 Y442L344-Y420 WeakPolarHBondContact CB-OH 3.42Å; L344-Y420 PolarHBondContact O-OH 3.27Å; Y345-Y420 WeakPolarHBondContact CA-OH 3.28Å; Y345-Y420 PolarHBondContact N-OH 2.98Å; Y345-Y420 VanDerWaalsContact N-OH 3.08Å; A348-Y420 HydrophobicContact CB-CD2 4.25Å; A348-Y420 HydrophobicContact CB-CE2 3.58Å; F389-Y420 HydrophobicContact CE2-CD1 4.28Å; F389-Y420 HydrophobicContact CE2-CD2 4.23Å; F389-Y420 AromaticContact CE2-CG 3.91Å; F389-Y420 HydrophobicContact CE2-CG 3.91Å; F389-Y420 HydrophobicContact CZ-CD1 4.14Å; F389-Y420 AromaticContact CZ-CD2 3.95Å; F389-Y420 HydrophobicContact CZ-CD2 3.95Å; F389-Y420 HydrophobicContact CZ-CE1 4.34Å; F389-Y420 HydrophobicContact CZ-CE2 4.17Å; F389-Y420 AromaticContact CZ-CG 3.94Å; F389-Y420 HydrophobicContact CZ-CG 3.94Å; L404-Y420 HydrophobicContact CB-CD2 4.47Å; L404-Y420 HydrophobicContact CD2-CD2 3.88Å; L404-Y420 PolarHBondContact N-O 3.03Å; L404-Y420 VanDerWaalsContact N-O 3.16Å; L404-Y420 PolarHBondContact O-N 3.45Å; V418-Y420 WeakPolarHBondContact CG1-O 3.38Å; Y420-I436 HydrophobicContact CD1-CB 4.16Å; Y420-I436 HydrophobicContact CD1-CD1 4.16Å; Y420-I436 HydrophobicContact CD1-CG1 4.2Å; Y420-I436 HydrophobicContact CE1-CD1 4.44Å; Y420-Y437 WeakPolarHBondContact CA-O 3.29Å; Y420-Y437 VanDerWaalsContact CD1-C 3.5Å; Y420-P438 HydrophobicContact CD1-CB 4.34Å; Y420-P438 HydrophobicContact CD2-CB 4.44Å; Y420-P438 HydrophobicContact CE1-CB 3.9Å; Y420-P438 HydrophobicContact CE1-CG 4.29Å; Y420-P438 HydrophobicContact CE2-CB 3.99Å; Y420-Y442 HydrophobicContact CE2-CD1 4.03Å; Y420-Y442 AromaticContact CE2-CE1 3.7Å; Y420-Y442 HydrophobicContact CE2-CE1 3.7Å
421R95.4Very high89.9Confident135 Ų13558.6 Ų58.651%0.50930%0.296SS..EExtended strand (participates in β ladder)trans-129.7152.8174-60.7-178.3-175.6-137.91.7110.7V418 I436 Y437 T439V418-R421 HydrophobicContact CG1-CG 3.8Å; R421-I436 CarbonylContact O-C 3.53Å; R421-I436 WeakPolarHBondContact O-CA 3.44Å; R421-Y437 PolarHBondContact N-O 3.43Å; R421-Y437 PolarHBondContact O-N 3.12Å; R421-T439 HydrophobicContact CG-CG2 4.3Å
422I95.4Very high90.5Very high6 Ų658 Ų583%0.03130%0.298CS..EExtended strand (participates in β ladder)trans-87.6130.1174.1-54.8175.1000108.8M392 F397 A402 Y424 C435 I436M392-I422 HydrophobicContact CB-CD1 4.38Å; M392-I422 HydrophobicContact CE-CD1 4.31Å; M392-I422 HydrophobicContact CE-CG1 4.01Å; M392-I422 HydrophobicContact CG-CD1 4.18Å; F397-I422 HydrophobicContact CB-CD1 3.49Å; F397-I422 VanDerWaalsContact CB-CD1 3.49Å; F397-I422 HydrophobicContact CG-CD1 4.47Å; A402-I422 HydrophobicContact CB-CD1 4.13Å; I422-Y424 HydrophobicContact CG2-CD2 4.3Å; I422-Y424 HydrophobicContact CG2-CE2 3.67Å; I422-C435 WeakPolarHBondContact CA-O 3.42Å; I422-C435 WeakPolarHBondContact CG2-O 3.29Å; I422-I436 HydrophobicContact CG1-CG2 4.1Å
423K94.3Very high91.2Very high63 Ų6359.6 Ų59.627%0.27430%0.302SS..  trans-143.9134.7170.6-66.5-172.1174.6-165.50109.3N308 P309 E399 C435 Y437N308-K423 PolarHBondContact OD1-NZ 2.82Å; P309-K423 HydrophobicContact CG-CB 3.84Å; P309-K423 HydrophobicContact CG-CD 3.74Å; P309-K423 HydrophobicContact CG-CG 4.44Å; E399-K423 WeakPolarHBondContact OE1-CA 3.28Å; K423-C435 PolarHBondContact N-O 2.9Å; K423-C435 CarbonylContact O-C 3.54Å; K423-C435 VanDerWaalsContact O-CA 3.29Å; K423-C435 WeakPolarHBondContact O-CA 3.44Å; K423-C435 VanDerWaalsContact O-O 3.06Å; K423-Y437 HydrophobicContact CB-CD2 3.87Å; K423-Y437 HydrophobicContact CB-CE2 4.11Å; K423-Y437 WeakPolarHBondContact O-CE2 3.36Å
424Y94.2Very high91.9Very high97 Ų9757.8 Ų57.838%0.3828%0.28SS..  trans-102.5-1.3179.2-69.5-71.5000113.5G395 F397 E399 I422 P426 C435G395-Y424 VanDerWaalsContact C-OH 3.26Å; G395-Y424 WeakPolarHBondContact CA-OH 3.35Å; G395-Y424 PolarHBondContact O-OH 3.44Å; G395-Y424 VanDerWaalsContact O-OH 3.12Å; F397-Y424 WeakPolarHBondContact O-CE2 3.43Å; F397-Y424 PolarHBondContact O-OH 3.14Å; E399-Y424 HydrophobicContact CG-CD2 3.69Å; E399-Y424 HydrophobicContact CG-CE2 4.21Å; E399-Y424 PolarHBondContact OE1-N 2.81Å; I422-Y424 HydrophobicContact CG2-CD2 4.3Å; I422-Y424 HydrophobicContact CG2-CE2 3.67Å; Y424-P426 WeakPolarHBondContact O-CD 3.26Å; Y424-C435 HydrophobicContact CD1-CB 3.86Å; Y424-C435 HydrophobicContact CE1-CB 3.72Å
425T92.1Very high92.5Very high60 Ų6053.4 Ų53.437%0.36826%0.263SS..SBendtrans-59.8128.4168.1-53.20000109.1P309P309-T425 HydrophobicContact CB-CG2 4.46Å; P309-T425 VanDerWaalsContact CB-O 3.29Å; P309-T425 WeakPolarHBondContact CB-O 3.36Å; P309-T425 WeakPolarHBondContact O-CG2 3.38Å
426P91.1Very high93Very high74 Ų7450.4 Ų50.448%0.48125%0.248SC..PPolyproline II helixtrans-57.9137.8174.5-24.933.5000111.5Y424 D432Y424-P426 WeakPolarHBondContact O-CD 3.26Å; P426-D432 WeakPolarHBondContact CA-OD1 3.37Å; P426-D432 WeakPolarHBondContact CB-OD1 3.26Å; P426-D432 VanDerWaalsContact CG-OD1 3.25Å; P426-D432 WeakPolarHBondContact CG-OD1 3.38Å
427H91.5Very high93.3Very high5 Ų550.7 Ų50.72%0.02325%0.249CC..BIsolated β-bridgetrans-81.3142.1175.1-171.7-105.1000111.2D306 P309 S338 R429 T430 G431 Y437D306-H427 PolarHBondContact O-NE2 3.32Å; D306-H427 IonicContact OD2-CE1 3.71Å; D306-H427 PolarHBondContact OD2-CE1 3.18Å; D306-H427 IonicContact OD2-NE2 2.85Å; P309-H427 HydrophobicContact CB-CB 4.31Å; S338-H427 VanDerWaalsContact CB-CE1 3.45Å; S338-H427 WeakPolarHBondContact CB-CE1 3.42Å; H427-R429 VanDerWaalsContact C-N 3.31Å; H427-R429 PolarHBondContact ND1-N 3.12Å; H427-R429 PolarHBondContact O-N 2.78Å; H427-T430 VanDerWaalsContact CB-OG1 3.26Å; H427-T430 WeakPolarHBondContact CB-OG1 3.43Å; H427-T430 VanDerWaalsContact CG-OG1 3.25Å; H427-T430 PolarHBondContact ND1-N 2.84Å; H427-T430 PolarHBondContact ND1-OG1 3.14Å; H427-G431 PolarHBondContact N-O 3.26Å; H427-G431 VanDerWaalsContact O-CA 3.25Å; H427-G431 WeakPolarHBondContact O-CA 3.32Å; H427-G431 PolarHBondContact O-N 2.75Å; H427-Y437 HydrophobicContact CB-CE1 4.04Å; H427-Y437 WeakPolarHBondContact CB-OH 3.38Å; H427-Y437 AromaticContact CD2-CE1 3.97Å
428H87.7Confident93.6Very high113 Ų11350.7 Ų50.752%0.52325%0.249SC..THydrogen-bonded Turntrans-59.5-39-175.7-18060.1000113.2E312E312-H428 HydrophobicContact CB-CB 4.23Å; E312-H428 HydrophobicContact CG-CB 4.41Å; E312-H428 IonicContact OE2-CD2 3.66Å; E312-H428 IonicContact OE2-CG 3.55Å
429R89.3Confident93.7Very high122 Ų12250.5 Ų50.546%0.4625%0.248SC..THydrogen-bonded Turntrans-97.6-37.7-177.6-68.1176.260.392.2-3.7114.6D306 H336 D339 H427D306-R429 WeakPolarHBondContact OD2-CD 3.39Å; H336-R429 VanDerWaalsContact CD2-CD 3.46Å; H336-R429 WeakPolarHBondContact CD2-CD 3.47Å; H336-R429 PolarHBondContact CE1-NH1 3.27Å; H336-R429 PolarHBondContact NE2-NH1 3.3Å; D339-R429 IonicContact OD1-CZ 2.82Å; D339-R429 IonicContact OD1-NE 2.84Å; D339-R429 IonicContact OD1-NH2 3.29Å; D339-R429 PolarHBondContact OD1-NH2 3.48Å; H427-R429 VanDerWaalsContact C-N 3.31Å; H427-R429 PolarHBondContact ND1-N 3.12Å; H427-R429 PolarHBondContact O-N 2.78Å
430T91.8Very high93.4Very high31 Ų3153.7 Ų53.719%0.1926%0.261CS..THydrogen-bonded Turntrans-104.72.7-172.453.50000112.6F341 H427 D432 E433F341-T430 HydrophobicContact CD2-CG2 4.25Å; H427-T430 VanDerWaalsContact CB-OG1 3.26Å; H427-T430 WeakPolarHBondContact CB-OG1 3.43Å; H427-T430 VanDerWaalsContact CG-OG1 3.25Å; H427-T430 PolarHBondContact ND1-N 2.84Å; H427-T430 PolarHBondContact ND1-OG1 3.14Å; T430-D432 PolarHBondContact O-N 3.43Å; T430-E433 VanDerWaalsContact O-CB 3.28Å; T430-E433 WeakPolarHBondContact O-CB 3.08Å; T430-E433 PolarHBondContact O-N 3.27Å
431G91.3Very high93Very high29 Ų2955.4 Ų55.430%0.29927%0.27SS..BIsolated β-bridgetrans55.5-128.617800000112H427H427-G431 PolarHBondContact N-O 3.26Å; H427-G431 VanDerWaalsContact O-CA 3.25Å; H427-G431 WeakPolarHBondContact O-CA 3.32Å; H427-G431 PolarHBondContact O-N 2.75Å
432D92.8Very high92.9Very high132 Ų13249 Ų4971%0.70625%0.245SC*.THydrogen-bonded Turntrans-9914.8-178.2-60-28.8000112.9P426 T430 W434P426-D432 WeakPolarHBondContact CA-OD1 3.37Å; P426-D432 WeakPolarHBondContact CB-OD1 3.26Å; P426-D432 VanDerWaalsContact CG-OD1 3.25Å; P426-D432 WeakPolarHBondContact CG-OD1 3.38Å; T430-D432 PolarHBondContact O-N 3.43Å; D432-W434 PolarHBondContact O-N 2.9Å
433E94.3Very high92.9Very high132 Ų13248.7 Ų48.762%0.61724%0.244SC*.SBendtrans-63.8-30.8178.4-172.3-173.116700111.9T430T430-E433 VanDerWaalsContact O-CB 3.28Å; T430-E433 WeakPolarHBondContact O-CB 3.08Å; T430-E433 PolarHBondContact O-N 3.27Å
434W95.4Very high92.8Very high11 Ų1146 Ų464%0.04223%0.233CC..  trans-121.2132.4-177.6-62.886.9000110.9F341 Q342 Y345 K393 D432 I436 Y437F341-W434 HydrophobicContact CB-CD2 4.42Å; F341-W434 HydrophobicContact CB-CZ2 4.2Å; F341-W434 HydrophobicContact CD2-CG 4.38Å; Q342-W434 HydrophobicContact CB-CZ2 4.17Å; Y345-W434 AromaticContact CD2-CZ3 4Å; Y345-W434 HydrophobicContact CD2-CZ3 4Å; Y345-W434 HydrophobicContact CG-CH2 4.04Å; Y345-W434 AromaticContact CG-CZ3 3.92Å; Y345-W434 HydrophobicContact CG-CZ3 3.92Å; K393-W434 HydrophobicContact CD-CZ3 4.07Å; D432-W434 PolarHBondContact O-N 2.9Å; W434-I436 HydrophobicContact CE3-CG1 4.24Å; W434-Y437 HydrophobicContact CB-CE1 4.32Å; W434-Y437 WeakPolarHBondContact O-CE2 3.28Å; W434-Y437 PolarHBondContact O-OH 3.4Å
435C95Very high92.8Very high16 Ų1641.5 Ų41.511%0.10822%0.215CC..SBendtrans-115.14.1167.167.50000112.5M392 K393 G395 I422 K423 Y424M392-C435 PolarHBondContact O-SG 3.44Å; K393-C435 PolarHBondContact O-SG 3Å; G395-C435 PolarHBondContact N-SG 3.34Å; I422-C435 WeakPolarHBondContact CA-O 3.42Å; I422-C435 WeakPolarHBondContact CG2-O 3.29Å; K423-C435 PolarHBondContact N-O 2.9Å; K423-C435 CarbonylContact O-C 3.54Å; K423-C435 VanDerWaalsContact O-CA 3.29Å; K423-C435 WeakPolarHBondContact O-CA 3.44Å; K423-C435 VanDerWaalsContact O-O 3.06Å; Y424-C435 HydrophobicContact CD1-CB 3.86Å; Y424-C435 HydrophobicContact CE1-CB 3.72Å
436I96.8Very high93Very high1 Ų138.6 Ų38.61%0.00520%0.197CC..EExtended strand (participates in β ladder)trans-123.1134.9172.460.4170.9000109Y345 F389 M392 K393 Y420 R421 I422 W434Y345-I436 HydrophobicContact CD2-CD1 3.95Å; Y345-I436 HydrophobicContact CE2-CD1 3.88Å; F389-I436 HydrophobicContact CD2-CD1 4.5Å; F389-I436 HydrophobicContact CE2-CD1 3.78Å; F389-I436 HydrophobicContact CZ-CD1 3.85Å; M392-I436 HydrophobicContact CB-CG2 3.86Å; M392-I436 WeakPolarHBondContact O-CG2 3.47Å; K393-I436 HydrophobicContact CB-CD1 3.71Å; K393-I436 HydrophobicContact CB-CG1 4.29Å; K393-I436 HydrophobicContact CG-CD1 4.18Å; K393-I436 HydrophobicContact CG-CG1 4.45Å; Y420-I436 HydrophobicContact CD1-CB 4.16Å; Y420-I436 HydrophobicContact CD1-CD1 4.16Å; Y420-I436 HydrophobicContact CD1-CG1 4.2Å; Y420-I436 HydrophobicContact CE1-CD1 4.44Å; R421-I436 CarbonylContact O-C 3.53Å; R421-I436 WeakPolarHBondContact O-CA 3.44Å; I422-I436 HydrophobicContact CG1-CG2 4.1Å; W434-I436 HydrophobicContact CE3-CG1 4.24Å
437Y96.4Very high93.3Very high6 Ų635.1 Ų35.12%0.02417%0.174CC..EExtended strand (participates in β ladder)trans-129134.8-174.4-66-91.1000110.3T307 P309 F341 Y420 R421 K423 H427 W434T307-Y437 WeakPolarHBondContact O-CD1 3.44Å; P309-Y437 HydrophobicContact CB-CE1 4.06Å; P309-Y437 HydrophobicContact CB-CE2 4.26Å; P309-Y437 HydrophobicContact CG-CD1 4.21Å; P309-Y437 HydrophobicContact CG-CD2 3.85Å; P309-Y437 HydrophobicContact CG-CE1 4Å; P309-Y437 HydrophobicContact CG-CE2 3.64Å; P309-Y437 HydrophobicContact CG-CG 4.13Å; F341-Y437 HydrophobicContact CE2-CD1 4.18Å; F341-Y437 HydrophobicContact CE2-CE1 4.07Å; F341-Y437 HydrophobicContact CZ-CD1 4.04Å; F341-Y437 HydrophobicContact CZ-CE1 4.33Å; Y420-Y437 WeakPolarHBondContact CA-O 3.29Å; Y420-Y437 VanDerWaalsContact CD1-C 3.5Å; R421-Y437 PolarHBondContact N-O 3.43Å; R421-Y437 PolarHBondContact O-N 3.12Å; K423-Y437 HydrophobicContact CB-CD2 3.87Å; K423-Y437 HydrophobicContact CB-CE2 4.11Å; K423-Y437 WeakPolarHBondContact O-CE2 3.36Å; H427-Y437 HydrophobicContact CB-CE1 4.04Å; H427-Y437 WeakPolarHBondContact CB-OH 3.38Å; H427-Y437 AromaticContact CD2-CE1 3.97Å; W434-Y437 HydrophobicContact CB-CE1 4.32Å; W434-Y437 WeakPolarHBondContact O-CE2 3.28Å; W434-Y437 PolarHBondContact O-OH 3.4Å
438P96.6Very high93.6Very high6 Ų634.9 Ų34.94%0.03917%0.173CC..EExtended strand (participates in β ladder)trans-70.215417631.4-34.7000110.6F341 L344 A419 Y420 Y442 T443F341-P438 HydrophobicContact CD1-CG 4.06Å; F341-P438 HydrophobicContact CE1-CG 4.03Å; L344-P438 HydrophobicContact CD1-CG 4.01Å; A419-P438 CarbonylContact O-C 3.59Å; A419-P438 VanDerWaalsContact O-CA 3.22Å; A419-P438 WeakPolarHBondContact O-CA 3.19Å; Y420-P438 HydrophobicContact CD1-CB 4.34Å; Y420-P438 HydrophobicContact CD2-CB 4.44Å; Y420-P438 HydrophobicContact CE1-CB 3.9Å; Y420-P438 HydrophobicContact CE1-CG 4.29Å; Y420-P438 HydrophobicContact CE2-CB 3.99Å; P438-Y442 HydrophobicContact CB-CD1 3.86Å; P438-T443 VanDerWaalsContact CB-OG1 3.27Å; P438-T443 WeakPolarHBondContact CB-OG1 3.46Å; P438-T443 VanDerWaalsContact CG-OG1 3.3Å; P438-T443 WeakPolarHBondContact CG-OG1 3.18Å
439T93.4Very high94Very high20 Ų2029.9 Ų29.912%0.12315%0.151CC..  trans-83.8163.5176.461.10000111.6V418 A419 R421 D441 Y442 T443V418-T439 HydrophobicContact CB-CG2 4.34Å; V418-T439 HydrophobicContact CG1-CG2 3.99Å; V418-T439 WeakPolarHBondContact O-CB 3.46Å; V418-T439 VanDerWaalsContact O-CG2 3.24Å; V418-T439 WeakPolarHBondContact O-CG2 3.23Å; V418-T439 PolarHBondContact O-OG1 3.11Å; A419-T439 PolarHBondContact O-N 3.04Å; A419-T439 PolarHBondContact O-OG1 3.49Å; R421-T439 HydrophobicContact CG-CG2 4.3Å; T439-D441 PolarHBondContact O-N 3.44Å; T439-Y442 PolarHBondContact O-N 2.92Å; T439-T443 WeakPolarHBondContact O-CB 3.45Å; T439-T443 PolarHBondContact O-N 2.92Å; T439-T443 PolarHBondContact O-OG1 3.36Å
440Y89.4Confident94.3Very high68 Ų6826.2 Ų26.227%0.26714%0.14SC..Hα-helixtrans-49.8-50.9176.8-178-89.4000113.1D305 Y442 T443 H444 F462D305-Y440 VanDerWaalsContact OD2-CD2 3.22Å; D305-Y440 WeakPolarHBondContact OD2-CD2 3.48Å; Y440-Y442 VanDerWaalsContact C-N 3.33Å; Y440-Y442 PolarHBondContact O-N 3.25Å; Y440-T443 PolarHBondContact O-N 3.17Å; Y440-H444 AromaticContact CD2-CD2 3.43Å; Y440-H444 VanDerWaalsContact CD2-CD2 3.43Å; Y440-H444 WeakPolarHBondContact CD2-CD2 3.32Å; Y440-H444 AromaticContact CD2-NE2 3.33Å; Y440-H444 VanDerWaalsContact CD2-NE2 3.33Å; Y440-H444 WeakPolarHBondContact CD2-NE2 3.25Å; Y440-H444 AromaticContact CE2-CD2 3.47Å; Y440-H444 VanDerWaalsContact CE2-CD2 3.47Å; Y440-H444 WeakPolarHBondContact CE2-CD2 3.48Å; Y440-H444 AromaticContact CE2-CE1 3.46Å; Y440-H444 VanDerWaalsContact CE2-CE1 3.46Å; Y440-H444 WeakPolarHBondContact CE2-CE1 3.35Å; Y440-H444 AromaticContact CE2-CG 3.93Å; Y440-H444 AromaticContact CE2-ND1 3.93Å; Y440-H444 AromaticContact CE2-NE2 3.18Å; Y440-H444 WeakPolarHBondContact CE2-NE2 3.18Å; Y440-H444 AromaticContact CG-CD2 3.89Å; Y440-H444 AromaticContact CZ-CD2 3.95Å; Y440-H444 AromaticContact CZ-CG 3.99Å; Y440-H444 AromaticContact CZ-NE2 3.99Å; Y440-H444 PolarHBondContact O-CD2 3.03Å; Y440-H444 VanDerWaalsContact O-CD2 3.31Å; Y440-H444 PolarHBondContact O-N 3.03Å; Y440-F462 HydrophobicContact CD1-CE1 4.14Å; Y440-F462 HydrophobicContact CE1-CD1 4.05Å; Y440-F462 AromaticContact CE1-CE1 3.52Å; Y440-F462 HydrophobicContact CE1-CE1 3.52Å; Y440-F462 HydrophobicContact CE1-CZ 4.02Å
441D88.4Confident94.6Very high36 Ų3625.5 Ų25.519%0.19314%0.135CC..Hα-helixtrans-63.9-38.2-176-66-42.1000112.5T439 C445 R465T439-D441 PolarHBondContact O-N 3.44Å; D441-C445 WeakPolarHBondContact O-CB 3.47Å; D441-R465 WeakPolarHBondContact OD1-CD 3.45Å; D441-R465 IonicContact OD1-CZ 3.99Å; D441-R465 IonicContact OD1-NE 2.89Å; D441-R465 IonicContact OD1-NH1 2.73Å; D441-R465 PolarHBondContact OD1-NH1 3.19Å; D441-R465 IonicContact OD2-CZ 2.79Å; D441-R465 IonicContact OD2-NH1 3.95Å; D441-R465 PolarHBondContact OD2-NH1 3.39Å
442Y94.3Very high94.8Very high0 Ų025.1 Ų25.10%013%0.126CC..Hα-helixtrans-70.8-45.1177.4-174.1-95.7000111L344 L347 A348 L351 M406 A419 Y420 P438 T439 Y440 L446 L472L344-Y442 HydrophobicContact CB-CE1 4.17Å; L344-Y442 HydrophobicContact CD2-CD1 4.36Å; L344-Y442 HydrophobicContact CD2-CE1 4.08Å; L344-Y442 PolarHBondContact O-OH 2.94Å; L347-Y442 VanDerWaalsContact C-OH 3.29Å; A348-Y442 VanDerWaalsContact CA-OH 3.25Å; A348-Y442 WeakPolarHBondContact CA-OH 3.36Å; A348-Y442 WeakPolarHBondContact CB-OH 3.02Å; A348-Y442 PolarHBondContact N-OH 3.08Å; L351-Y442 HydrophobicContact CD2-CE2 4.25Å; M406-Y442 HydrophobicContact SD-CD2 4.11Å; A419-Y442 HydrophobicContact CB-CD2 3.76Å; A419-Y442 HydrophobicContact CB-CE2 4.28Å; A419-Y442 HydrophobicContact CB-CG 4.11Å; Y420-Y442 HydrophobicContact CE2-CD1 4.03Å; Y420-Y442 AromaticContact CE2-CE1 3.7Å; Y420-Y442 HydrophobicContact CE2-CE1 3.7Å; P438-Y442 HydrophobicContact CB-CD1 3.86Å; T439-Y442 PolarHBondContact O-N 2.92Å; Y440-Y442 VanDerWaalsContact C-N 3.33Å; Y440-Y442 PolarHBondContact O-N 3.25Å; Y442-L446 HydrophobicContact CD1-CD1 3.95Å; Y442-L446 HydrophobicContact CD2-CD1 4.18Å; Y442-L446 HydrophobicContact CE1-CD1 3.42Å; Y442-L446 VanDerWaalsContact CE1-CD1 3.42Å; Y442-L446 HydrophobicContact CE2-CD1 3.68Å; Y442-L446 HydrophobicContact CG-CD1 4.3Å; Y442-L446 WeakPolarHBondContact O-CG 3.41Å; Y442-L446 PolarHBondContact O-N 3.1Å; Y442-L446 WeakPolarHBondContact OH-CD1 3.28Å; Y442-L472 HydrophobicContact CD2-CD1 4.08Å; Y442-L472 HydrophobicContact CD2-CD2 3.75Å; Y442-L472 HydrophobicContact CE2-CD1 3.89Å; Y442-L472 HydrophobicContact CE2-CD2 4.21Å; Y442-L472 HydrophobicContact CG-CD2 4.35Å
443T95.1Very high95Very high1 Ų118.9 Ų18.91%0.0069%0.092CC..Hα-helixtrans-72.2-52.4-172-53.10000112.4T307 A337 L344 P438 T439 Y440 C445 L446 C447T307-T443 HydrophobicContact CG2-CG2 3.41Å; T307-T443 VanDerWaalsContact CG2-CG2 3.41Å; T307-T443 WeakPolarHBondContact CG2-OG1 3.13Å; A337-T443 HydrophobicContact CB-CG2 3.78Å; L344-T443 HydrophobicContact CD1-CG2 3.69Å; P438-T443 VanDerWaalsContact CB-OG1 3.27Å; P438-T443 WeakPolarHBondContact CB-OG1 3.46Å; P438-T443 VanDerWaalsContact CG-OG1 3.3Å; P438-T443 WeakPolarHBondContact CG-OG1 3.18Å; T439-T443 WeakPolarHBondContact O-CB 3.45Å; T439-T443 PolarHBondContact O-N 2.92Å; T439-T443 PolarHBondContact O-OG1 3.36Å; Y440-T443 PolarHBondContact O-N 3.17Å; T443-C445 VanDerWaalsContact C-N 3.28Å; T443-C445 PolarHBondContact O-N 3.08Å; T443-L446 PolarHBondContact O-N 3.39Å; T443-C447 VanDerWaalsContact O-CB 3.28Å; T443-C447 WeakPolarHBondContact O-CB 3.25Å; T443-C447 PolarHBondContact O-N 3.34Å; T443-C447 PolarHBondContact O-SG 2.87Å; T443-C447 VanDerWaalsContact O-SG 3.34Å
444H92.8Very high95.1Very high7 Ų712.6 Ų12.63%0.0326%0.063CC..Hα-helixtrans-64.5-36.7-173.5-77.7-107.6000112.1R303 D305 Y440 D448R303-H444 PolarHBondContact NH2-ND1 3.06Å; R303-H444 PolarHBondContact NH2-O 3.19Å; D305-H444 IonicContact OD1-NE2 3.29Å; D305-H444 PolarHBondContact OD1-NE2 3.36Å; D305-H444 IonicContact OD2-CE1 3.85Å; D305-H444 IonicContact OD2-NE2 3.68Å; D305-H444 PolarHBondContact OD2-NE2 3.08Å; D305-H444 VanDerWaalsContact OD2-NE2 3.16Å; Y440-H444 AromaticContact CD2-CD2 3.43Å; Y440-H444 VanDerWaalsContact CD2-CD2 3.43Å; Y440-H444 WeakPolarHBondContact CD2-CD2 3.32Å; Y440-H444 AromaticContact CD2-NE2 3.33Å; Y440-H444 VanDerWaalsContact CD2-NE2 3.33Å; Y440-H444 WeakPolarHBondContact CD2-NE2 3.25Å; Y440-H444 AromaticContact CE2-CD2 3.47Å; Y440-H444 VanDerWaalsContact CE2-CD2 3.47Å; Y440-H444 WeakPolarHBondContact CE2-CD2 3.48Å; Y440-H444 AromaticContact CE2-CE1 3.46Å; Y440-H444 VanDerWaalsContact CE2-CE1 3.46Å; Y440-H444 WeakPolarHBondContact CE2-CE1 3.35Å; Y440-H444 AromaticContact CE2-CG 3.93Å; Y440-H444 AromaticContact CE2-ND1 3.93Å; Y440-H444 AromaticContact CE2-NE2 3.18Å; Y440-H444 WeakPolarHBondContact CE2-NE2 3.18Å; Y440-H444 AromaticContact CG-CD2 3.89Å; Y440-H444 AromaticContact CZ-CD2 3.95Å; Y440-H444 AromaticContact CZ-CG 3.99Å; Y440-H444 AromaticContact CZ-NE2 3.99Å; Y440-H444 PolarHBondContact O-CD2 3.03Å; Y440-H444 VanDerWaalsContact O-CD2 3.31Å; Y440-H444 PolarHBondContact O-N 3.03Å; H444-D448 VanDerWaalsContact O-CB 3.31Å; H444-D448 WeakPolarHBondContact O-CB 3.4Å; H444-D448 PolarHBondContact O-N 3.18Å; H444-D448 VanDerWaalsContact O-OD1 3.12Å
445C94Very high95.1Very high1 Ų112 Ų121%0.0076%0.061CC..Hα-helixtrans-61.7-50.4175.9179.30000112.1D441 T443 D448 S449 Y469 L472 C473D441-C445 WeakPolarHBondContact O-CB 3.47Å; T443-C445 VanDerWaalsContact C-N 3.28Å; T443-C445 PolarHBondContact O-N 3.08Å; C445-D448 PolarHBondContact O-N 3.29Å; C445-S449 PolarHBondContact O-N 2.96Å; C445-Y469 VanDerWaalsContact CA-CE2 3.42Å; C445-Y469 HydrophobicContact CB-CD2 3.6Å; C445-Y469 HydrophobicContact CB-CE2 3.72Å; C445-Y469 HydrophobicContact CB-CG 4.15Å; C445-Y469 PolarHBondContact SG-O 3.15Å; C445-L472 HydrophobicContact CB-CD2 4.09Å; C445-C473 PolarHBondContact SG-SG 3.5Å
446L96.6Very high95.1Very high0 Ų011.3 Ų11.30%06%0.056CC..Hα-helixtrans-74.7-36.8-177.7-65.3178.6000112.8L344 L347 Y442 T443 D448 S449 I450 L472 L476 L478L344-L446 HydrophobicContact CD2-CB 3.57Å; L344-L446 HydrophobicContact CD2-CD1 3.86Å; L344-L446 HydrophobicContact CD2-CG 4.36Å; L347-L446 HydrophobicContact CB-CD1 4.35Å; L347-L446 HydrophobicContact CD1-CB 4.47Å; L347-L446 HydrophobicContact CD1-CD1 4.01Å; L347-L446 HydrophobicContact CD1-CD2 4.31Å; Y442-L446 HydrophobicContact CD1-CD1 3.95Å; Y442-L446 HydrophobicContact CD2-CD1 4.18Å; Y442-L446 HydrophobicContact CE1-CD1 3.42Å; Y442-L446 VanDerWaalsContact CE1-CD1 3.42Å; Y442-L446 HydrophobicContact CE2-CD1 3.68Å; Y442-L446 HydrophobicContact CG-CD1 4.3Å; Y442-L446 WeakPolarHBondContact O-CG 3.41Å; Y442-L446 PolarHBondContact O-N 3.1Å; Y442-L446 WeakPolarHBondContact OH-CD1 3.28Å; T443-L446 PolarHBondContact O-N 3.39Å; L446-D448 VanDerWaalsContact C-N 3.3Å; L446-D448 PolarHBondContact O-N 3.32Å; L446-S449 WeakPolarHBondContact O-CB 3.46Å; L446-S449 PolarHBondContact O-N 3.35Å; L446-S449 VanDerWaalsContact O-N 3.15Å; L446-I450 VanDerWaalsContact O-CG1 3.24Å; L446-I450 WeakPolarHBondContact O-CG1 3.26Å; L446-I450 PolarHBondContact O-N 3.18Å; L446-L472 HydrophobicContact CD1-CD2 4.18Å; L446-L472 HydrophobicContact CD2-CD2 4.21Å; L446-L472 HydrophobicContact CD2-CG 3.99Å; L446-L472 HydrophobicContact CG-CD2 3.88Å; L446-L472 HydrophobicContact CG-CG 4.21Å; L446-L476 HydrophobicContact CD1-CD1 4.3Å; L446-L476 HydrophobicContact CD2-CD1 3.83Å; L446-L478 HydrophobicContact CD2-CD1 3.74Å
447C97.1Very high94.9Very high0 Ų011.4 Ų11.40%06%0.056CC..Hα-helixtrans-62.1-38.9172.8-71.90000111.4T443 S449 I450 E451T443-C447 VanDerWaalsContact O-CB 3.28Å; T443-C447 WeakPolarHBondContact O-CB 3.25Å; T443-C447 PolarHBondContact O-N 3.34Å; T443-C447 PolarHBondContact O-SG 2.87Å; T443-C447 VanDerWaalsContact O-SG 3.34Å; C447-S449 VanDerWaalsContact C-N 3.28Å; C447-S449 PolarHBondContact O-N 2.91Å; C447-I450 PolarHBondContact O-N 2.94Å; C447-E451 WeakPolarHBondContact O-CB 3.43Å; C447-E451 WeakPolarHBondContact O-CG 3.45Å; C447-E451 PolarHBondContact O-N 3.27Å
448D97.1Very high94.7Very high0 Ų011.7 Ų11.70%06%0.059CC..Hα-helixtrans-61.9-37.7174.3-69.3-7.9000111.8R269 R303 H444 C445 L446 N452 I453 S456 Y469 P481R269-D448 WeakPolarHBondContact CD-OD1 3.25Å; R269-D448 IonicContact CZ-OD1 2.85Å; R269-D448 IonicContact CZ-OD2 3.36Å; R269-D448 IonicContact NE-OD1 3.6Å; R269-D448 PolarHBondContact NE-OD1 3.09Å; R269-D448 IonicContact NE-OD2 3.76Å; R269-D448 PolarHBondContact NE-OD2 2.88Å; R269-D448 IonicContact NH2-OD1 2.7Å; R269-D448 IonicContact NH2-OD2 3.64Å; R269-D448 PolarHBondContact NH2-OD2 3.09Å; R303-D448 IonicContact CZ-OD1 2.84Å; R303-D448 VanDerWaalsContact CZ-OD1 3.24Å; R303-D448 IonicContact NH1-OD1 3.64Å; R303-D448 PolarHBondContact NH1-OD1 3.31Å; R303-D448 IonicContact NH2-OD1 2.77Å; R303-D448 PolarHBondContact NH2-OD1 2.85Å; H444-D448 VanDerWaalsContact O-CB 3.31Å; H444-D448 WeakPolarHBondContact O-CB 3.4Å; H444-D448 PolarHBondContact O-N 3.18Å; H444-D448 VanDerWaalsContact O-OD1 3.12Å; C445-D448 PolarHBondContact O-N 3.29Å; L446-D448 VanDerWaalsContact C-N 3.3Å; L446-D448 PolarHBondContact O-N 3.32Å; D448-N452 PolarHBondContact O-N 3.21Å; D448-I453 HydrophobicContact CB-CB 4.02Å; D448-I453 HydrophobicContact CB-CG1 4.01Å; D448-I453 WeakPolarHBondContact O-CB 3.12Å; D448-I453 WeakPolarHBondContact O-CG1 3.42Å; D448-I453 PolarHBondContact O-N 3.07Å; D448-S456 WeakPolarHBondContact OD2-CB 3.39Å; D448-S456 PolarHBondContact OD2-OG 3.39Å; D448-Y469 WeakPolarHBondContact CB-OH 3.39Å; D448-Y469 VanDerWaalsContact CG-OH 3.29Å; D448-Y469 PolarHBondContact OD2-OH 2.98Å; D448-P481 HydrophobicContact CB-CB 4.28Å; D448-P481 HydrophobicContact CB-CG 3.69Å
449S96.8Very high94.2Very high8 Ų812.8 Ų12.86%0.0567%0.066CC..Hα-helixtrans-65.5-46.4173.6-1740000112C445 L446 C447 E451 N452 Y479C445-S449 PolarHBondContact O-N 2.96Å; L446-S449 WeakPolarHBondContact O-CB 3.46Å; L446-S449 PolarHBondContact O-N 3.35Å; L446-S449 VanDerWaalsContact O-N 3.15Å; C447-S449 VanDerWaalsContact C-N 3.28Å; C447-S449 PolarHBondContact O-N 2.91Å; S449-E451 PolarHBondContact O-N 3.12Å; S449-N452 PolarHBondContact O-N 3.39Å; S449-N452 VanDerWaalsContact O-N 3.13Å; S449-Y479 VanDerWaalsContact CB-O 3.26Å; S449-Y479 WeakPolarHBondContact CB-O 3.5Å; S449-Y479 PolarHBondContact OG-O 3.27Å
450I95.9Very high93.7Very high46 Ų4615.7 Ų15.724%0.2368%0.077CC..Hα-helixtrans-61-44.5-179.9-68.5163000111N340 K343 L446 C447 N452N340-I450 HydrophobicContact CB-CD1 4.25Å; K343-I450 HydrophobicContact CB-CD1 4.38Å; K343-I450 HydrophobicContact CD-CD1 4.31Å; L446-I450 VanDerWaalsContact O-CG1 3.24Å; L446-I450 WeakPolarHBondContact O-CG1 3.26Å; L446-I450 PolarHBondContact O-N 3.18Å; C447-I450 PolarHBondContact O-N 2.94Å; I450-N452 PolarHBondContact O-N 3.27Å; I450-N452 PolarHBondContact O-ND2 2.72Å
451E96.2Very high93.1Very high15 Ų1516.1 Ų16.17%0.078%0.081CC..THydrogen-bonded Turntrans-80.10.8179.8-67.9176161.200113.4R267 R303 T335 C447 S449 I453R267-E451 PolarHBondContact NE-O 3.25Å; R303-E451 WeakPolarHBondContact CD-OE1 3.02Å; R303-E451 WeakPolarHBondContact CD-OE2 3.36Å; R303-E451 IonicContact CZ-OE2 3.61Å; R303-E451 IonicContact NE-OE2 3.38Å; R303-E451 IonicContact NH1-OE2 3.62Å; R303-E451 PolarHBondContact NH1-OE2 2.9Å; T335-E451 WeakPolarHBondContact CB-OE1 3.36Å; T335-E451 PolarHBondContact OG1-OE1 3.24Å; C447-E451 WeakPolarHBondContact O-CB 3.43Å; C447-E451 WeakPolarHBondContact O-CG 3.45Å; C447-E451 PolarHBondContact O-N 3.27Å; S449-E451 PolarHBondContact O-N 3.12Å; E451-I453 VanDerWaalsContact C-N 3.31Å; E451-I453 HydrophobicContact CB-CD1 4.1Å; E451-I453 HydrophobicContact CB-CG1 4.09Å; E451-I453 PolarHBondContact O-N 2.91Å
452N96.3Very high92.6Very high22 Ų2216.9 Ų16.912%0.1188%0.083CC..THydrogen-bonded Turntrans5543.4-177.6-78.1-91.5000112.6H258 F261 T262 R267 D448 S449 I450 T454H258-N452 PolarHBondContact CE1-O 3.44Å; H258-N452 PolarHBondContact ND1-OD1 2.94Å; F261-N452 HydrophobicContact CD1-CB 3.96Å; F261-N452 HydrophobicContact CE1-CB 4.22Å; T262-N452 HydrophobicContact CG2-CB 3.82Å; R267-N452 WeakPolarHBondContact CD-O 3.24Å; D448-N452 PolarHBondContact O-N 3.21Å; S449-N452 PolarHBondContact O-N 3.39Å; S449-N452 VanDerWaalsContact O-N 3.13Å; I450-N452 PolarHBondContact O-N 3.27Å; I450-N452 PolarHBondContact O-ND2 2.72Å; N452-T454 PolarHBondContact O-N 2.83Å
453I97.6Very high91.8Very high0 Ų020.5 Ų20.50%010%0.1CC..  trans-63.4128.6177.6-61.3-58.7000109.8R267 R269 Y301 D448 E451 Y479 P481R267-I453 HydrophobicContact CB-CD1 4.46Å; R269-I453 HydrophobicContact CB-CD1 4Å; R269-I453 HydrophobicContact CG-CD1 4.43Å; Y301-I453 HydrophobicContact CD2-CD1 3.96Å; Y301-I453 HydrophobicContact CE2-CD1 4.45Å; D448-I453 HydrophobicContact CB-CB 4.02Å; D448-I453 HydrophobicContact CB-CG1 4.01Å; D448-I453 WeakPolarHBondContact O-CB 3.12Å; D448-I453 WeakPolarHBondContact O-CG1 3.42Å; D448-I453 PolarHBondContact O-N 3.07Å; E451-I453 VanDerWaalsContact C-N 3.31Å; E451-I453 HydrophobicContact CB-CD1 4.1Å; E451-I453 HydrophobicContact CB-CG1 4.09Å; E451-I453 PolarHBondContact O-N 2.91Å; I453-Y479 WeakPolarHBondContact O-CE1 3.38Å; I453-Y479 PolarHBondContact O-OH 2.98Å; I453-Y479 VanDerWaalsContact O-OH 3.09Å; I453-P481 VanDerWaalsContact O-CB 3.27Å; I453-P481 WeakPolarHBondContact O-CB 3.33Å
454T96.3Very high90.6Very high0 Ų022.5 Ų22.50%012%0.117CC..SBendtrans-86.9-42.9176.161.70000111.2H234 A236 R267 N452H234-T454 PolarHBondContact CE1-O 3.02Å; H234-T454 VanDerWaalsContact CE1-O 3.28Å; H234-T454 PolarHBondContact NE2-O 3Å; A236-T454 HydrophobicContact CB-CG2 4.18Å; R267-T454 HydrophobicContact CB-CG2 4.46Å; R267-T454 PolarHBondContact N-OG1 3.36Å; R267-T454 PolarHBondContact O-N 3.35Å; R267-T454 PolarHBondContact O-OG1 3.3Å; N452-T454 PolarHBondContact O-N 2.83Å
455H95.4Very high90Very high0 Ų026 Ų260%013%0.13CC..EExtended strand (participates in β ladder)trans-121.898.9-176.7-66.974.9000109.8F233 H234 R267 T268 Y292 L457F233-H455 AromaticContact CD2-CD2 3.83Å; H234-H455 AromaticContact CE1-CD2 3.61Å; H234-H455 AromaticContact CE1-CE1 3.44Å; H234-H455 PolarHBondContact CE1-CE1 3.28Å; H234-H455 VanDerWaalsContact CE1-CE1 3.44Å; H234-H455 AromaticContact CE1-ND1 3.92Å; H234-H455 AromaticContact CE1-NE2 3.21Å; H234-H455 PolarHBondContact CE1-NE2 3.27Å; H234-H455 AromaticContact ND1-CD2 3.77Å; H234-H455 AromaticContact ND1-CE1 3.72Å; H234-H455 AromaticContact ND1-NE2 3.14Å; H234-H455 PolarHBondContact ND1-NE2 3.32Å; H234-H455 VanDerWaalsContact ND1-NE2 3.14Å; H234-H455 PolarHBondContact O-CE1 2.88Å; H234-H455 VanDerWaalsContact O-CE1 3.3Å; H234-H455 PolarHBondContact O-NE2 3.13Å; H234-H455 VanDerWaalsContact O-NE2 3.15Å; R267-H455 PolarHBondContact O-N 2.85Å; T268-H455 HydrophobicContact CG2-CB 3.98Å; Y292-H455 HydrophobicContact CD1-CB 4.45Å; Y292-H455 HydrophobicContact CE1-CB 4.14Å; Y292-H455 AromaticContact CE1-CD2 3.71Å; Y292-H455 AromaticContact CE1-CG 3.61Å; Y292-H455 AromaticContact CE1-ND1 3.79Å; Y292-H455 AromaticContact CE1-NE2 3.99Å; Y292-H455 AromaticContact CZ-CD2 3.94Å; Y292-H455 AromaticContact CZ-NE2 3.97Å; Y292-H455 PolarHBondContact OH-NE2 2.53Å; H455-L457 HydrophobicContact CB-CD2 4.04Å; H455-L457 HydrophobicContact CB-CG 4.33Å; H455-L457 PolarHBondContact O-N 2.84Å
456S95.4Very high89.6Confident0 Ų028.4 Ų28.40%014%0.139CC..EExtended strand (participates in β ladder)trans-86.589.7175.6-1760000109.3R269 D448 V482 Q483 W484R269-S456 PolarHBondContact NH2-OG 2.84Å; D448-S456 WeakPolarHBondContact OD2-CB 3.39Å; D448-S456 PolarHBondContact OD2-OG 3.39Å; S456-V482 WeakPolarHBondContact CB-O 3.38Å; S456-V482 PolarHBondContact N-O 3.09Å; S456-Q483 WeakPolarHBondContact O-CA 3.18Å; S456-W484 PolarHBondContact O-N 3.01Å
457L92.4Very high89Confident3 Ų329.7 Ų29.72%0.01615%0.147CC..EExtended strand (participates in β ladder)trans-89.4126.1-175.6-46.3174.4000109.7F233 T268 R269 F288 N289 H455 W484 Y486F233-L457 HydrophobicContact CE2-CD2 3.98Å; F233-L457 HydrophobicContact CZ-CD2 4.35Å; T268-L457 HydrophobicContact CG2-CD1 4.26Å; R269-L457 PolarHBondContact NH1-O 2.99Å; R269-L457 VanDerWaalsContact NH1-O 3.08Å; F288-L457 HydrophobicContact CD1-CB 3.86Å; F288-L457 HydrophobicContact CD1-CD1 3.52Å; F288-L457 HydrophobicContact CD1-CG 4.14Å; F288-L457 HydrophobicContact CE1-CB 3.92Å; F288-L457 HydrophobicContact CE1-CD1 3.58Å; F288-L457 HydrophobicContact CE1-CD2 3.85Å; F288-L457 HydrophobicContact CE1-CG 3.96Å; F288-L457 HydrophobicContact CG-CD1 4.1Å; F288-L457 HydrophobicContact CZ-CD1 4.16Å; F288-L457 HydrophobicContact CZ-CD2 4.4Å; N289-L457 WeakPolarHBondContact OD1-CB 3.39Å; H455-L457 HydrophobicContact CB-CD2 4.04Å; H455-L457 HydrophobicContact CB-CG 4.33Å; H455-L457 PolarHBondContact O-N 2.84Å; L457-W484 WeakPolarHBondContact CA-O 3.36Å; L457-W484 HydrophobicContact CD2-CB 3.8Å; L457-W484 HydrophobicContact CD2-CG 4.4Å; L457-Y486 HydrophobicContact CB-CD1 4.49Å; L457-Y486 HydrophobicContact CB-CE1 4.23Å
458C90.9Very high88.5Confident12 Ų1230.1 Ų30.18%0.08115%0.151CC..EExtended strand (participates in β ladder)trans-144.1172.6-178.7670000111.6Q483 W484 E485 Y486C458-Q483 PolarHBondContact SG-NE2 3.27Å; C458-W484 PolarHBondContact N-O 3.15Å; C458-E485 CarbonylContact O-C 3.55Å; C458-E485 VanDerWaalsContact O-CA 3.26Å; C458-E485 WeakPolarHBondContact O-CA 3.5Å; C458-Y486 WeakPolarHBondContact O-CD1 3.17Å; C458-Y486 VanDerWaalsContact O-CE1 3.26Å; C458-Y486 WeakPolarHBondContact O-CE1 3.32Å; C458-Y486 PolarHBondContact O-N 3.02Å
459T87.1Confident88.3Confident30 Ų3031 Ų3118%0.18415%0.154CC..EExtended strand (participates in β ladder)trans-84.2154.5179.365.30000111.9E461 F462 Y486T459-E461 WeakPolarHBondContact CB-OE2 3.48Å; T459-E461 PolarHBondContact O-N 2.82Å; T459-E461 PolarHBondContact OG1-OE2 3.16Å; T459-F462 PolarHBondContact O-N 3.38Å; T459-Y486 CarbonylContact C-O 3.58Å; T459-Y486 VanDerWaalsContact CA-O 3.31Å; T459-Y486 WeakPolarHBondContact CA-O 3.14Å; T459-Y486 HydrophobicContact CG2-CE2 3.88Å
460K81.8Confident88.1Confident81 Ų8131 Ų3135%0.35215%0.153SC..G310 helixtrans-56.1-22.9-175.8-175171.2178.1-179.60115.1F462 Q463 Y486 V548K460-F462 PolarHBondContact O-N 3Å; K460-Q463 VanDerWaalsContact CE-OE1 3.25Å; K460-Q463 HydrophobicContact CG-CB 4.39Å; K460-Q463 VanDerWaalsContact O-CB 3.23Å; K460-Q463 WeakPolarHBondContact O-CB 3.24Å; K460-Q463 PolarHBondContact O-N 3.01Å; K460-Y486 PolarHBondContact N-O 3.27Å; K460-V548 HydrophobicContact CD-CG1 4.25Å; K460-V548 VanDerWaalsContact CD-O 3.27Å; K460-V548 WeakPolarHBondContact CD-O 3.43Å
461E77.9Confident88Confident77 Ų7731.8 Ų31.836%0.3615%0.153SC..G310 helixtrans-58-19.5175.6-62.278-170.300112.8T459 R488 Q550T459-E461 WeakPolarHBondContact CB-OE2 3.48Å; T459-E461 PolarHBondContact O-N 2.82Å; T459-E461 PolarHBondContact OG1-OE2 3.16Å; E461-R488 WeakPolarHBondContact OE1-CB 3.43Å; E461-Q550 PolarHBondContact OE1-NE2 3.48Å
462F77.5Confident88Confident51 Ų5131.2 Ų31.222%0.22415%0.15CC..G310 helixtrans-993.3177.6-60.3-80.6000114.2Y440 T459 K460 A464 R465Y440-F462 HydrophobicContact CD1-CE1 4.14Å; Y440-F462 HydrophobicContact CE1-CD1 4.05Å; Y440-F462 AromaticContact CE1-CE1 3.52Å; Y440-F462 HydrophobicContact CE1-CE1 3.52Å; Y440-F462 HydrophobicContact CE1-CZ 4.02Å; T459-F462 PolarHBondContact O-N 3.38Å; K460-F462 PolarHBondContact O-N 3Å; F462-A464 PolarHBondContact O-N 2.96Å; F462-R465 WeakPolarHBondContact O-CA 3.03Å; F462-R465 WeakPolarHBondContact O-CB 3.34Å; F462-R465 PolarHBondContact O-N 3.05Å
463Q77.9Confident87.9Confident76 Ų7630.1 Ų30.136%0.35515%0.145SC..G310 helixtrans-58.3-43.8-176.4-173.7-178.92.400112.7K460 R465 R466 E485K460-Q463 VanDerWaalsContact CE-OE1 3.25Å; K460-Q463 HydrophobicContact CG-CB 4.39Å; K460-Q463 VanDerWaalsContact O-CB 3.23Å; K460-Q463 WeakPolarHBondContact O-CB 3.24Å; K460-Q463 PolarHBondContact O-N 3.01Å; Q463-R465 PolarHBondContact O-N 3.3Å; Q463-R466 WeakPolarHBondContact O-CB 3.5Å; Q463-R466 PolarHBondContact O-N 3.27Å; Q463-E485 HydrophobicContact CB-CG 3.99Å; Q463-E485 HydrophobicContact CG-CG 4.31Å
464A70.1Confident87.8Confident44 Ų4431.4 Ų31.436%0.36415%0.152SC..G310 helixtrans-62.8-14.1177.700000113.3F462F462-A464 PolarHBondContact O-N 2.96Å
465R80.3Confident87.7Confident79 Ų7932 Ų3230%0.29816%0.157SC..G310 helixtrans-95.3-4.8179.7-47.4-164.6-173.8-174.5-4.6112.9M410 D441 F462 Q463 S467 S468 Y469M410-R465 HydrophobicContact CE-CB 4.33Å; M410-R465 HydrophobicContact CE-CG 4.01Å; D441-R465 WeakPolarHBondContact OD1-CD 3.45Å; D441-R465 IonicContact OD1-CZ 3.99Å; D441-R465 IonicContact OD1-NE 2.89Å; D441-R465 IonicContact OD1-NH1 2.73Å; D441-R465 PolarHBondContact OD1-NH1 3.19Å; D441-R465 IonicContact OD2-CZ 2.79Å; D441-R465 IonicContact OD2-NH1 3.95Å; D441-R465 PolarHBondContact OD2-NH1 3.39Å; F462-R465 WeakPolarHBondContact O-CA 3.03Å; F462-R465 WeakPolarHBondContact O-CB 3.34Å; F462-R465 PolarHBondContact O-N 3.05Å; Q463-R465 PolarHBondContact O-N 3.3Å; R465-S467 VanDerWaalsContact C-N 3.3Å; R465-S467 PolarHBondContact O-N 2.92Å; R465-S468 WeakPolarHBondContact CA-OG 3.49Å; R465-S468 PolarHBondContact O-N 3.24Å; R465-S468 VanDerWaalsContact O-N 3.11Å; R465-S468 PolarHBondContact O-OG 3.48Å; R465-Y469 PolarHBondContact O-N 3Å
466R84.8Confident87.7Confident53 Ų5332.3 Ų32.320%0.216%0.158CC..Hα-helixtrans-61.1-38.7179.4-174.5174.766.9-172.910.6112.8Q463 Y469 Y470 Q483 E485Q463-R466 WeakPolarHBondContact O-CB 3.5Å; Q463-R466 PolarHBondContact O-N 3.27Å; R466-Y469 WeakPolarHBondContact O-CB 3.05Å; R466-Y469 PolarHBondContact O-N 2.71Å; R466-Y470 HydrophobicContact CG-CD2 4.28Å; R466-Y470 HydrophobicContact CG-CE1 4.46Å; R466-Y470 HydrophobicContact CG-CE2 3.78Å; R466-Y470 PolarHBondContact O-N 3.42Å; R466-Q483 VanDerWaalsContact CA-OE1 3.26Å; R466-Q483 HydrophobicContact CG-CB 4.26Å; R466-E485 WeakPolarHBondContact CD-OE1 3.29Å; R466-E485 IonicContact NE-OE1 3.87Å; R466-E485 IonicContact NH1-OE1 3.3Å; R466-E485 IonicContact NH1-OE2 2.78Å; R466-E485 PolarHBondContact NH1-OE2 3.26Å
467S84.1Confident87.7Confident26 Ų2634.5 Ų34.518%0.18217%0.17CC..Hα-helixtrans-60.9-44.3173.449.60000112.2E411 R465 Y469 Y470 W471E411-S467 VanDerWaalsContact CD-OG 3.27Å; E411-S467 WeakPolarHBondContact CG-OG 3.43Å; E411-S467 WeakPolarHBondContact OE1-CB 3.3Å; E411-S467 PolarHBondContact OE2-OG 3.41Å; R465-S467 VanDerWaalsContact C-N 3.3Å; R465-S467 PolarHBondContact O-N 2.92Å; S467-Y469 VanDerWaalsContact C-N 3.31Å; S467-Y469 PolarHBondContact O-N 2.72Å; S467-Y470 PolarHBondContact O-N 3.05Å; S467-W471 VanDerWaalsContact O-CB 3.28Å; S467-W471 WeakPolarHBondContact O-CB 3.22Å; S467-W471 PolarHBondContact O-N 2.86Å
468S87.2Confident87.8Confident10 Ų1036.4 Ų36.47%0.0718%0.18CC..Hα-helixtrans-66.3-32.3174.659.80000113.3R465 L472R465-S468 WeakPolarHBondContact CA-OG 3.49Å; R465-S468 PolarHBondContact O-N 3.24Å; R465-S468 VanDerWaalsContact O-N 3.11Å; R465-S468 PolarHBondContact O-OG 3.48Å; S468-L472 WeakPolarHBondContact O-CB 3.44Å; S468-L472 PolarHBondContact O-N 3.32Å
469Y91.5Very high88.1Confident17 Ų1736.6 Ų36.67%0.06718%0.179CC..Hα-helixtrans-63.3-52.9175.2-171.1-76.7000110.7C445 D448 R465 R466 S467 W471 L472 C473 P481C445-Y469 VanDerWaalsContact CA-CE2 3.42Å; C445-Y469 HydrophobicContact CB-CD2 3.6Å; C445-Y469 HydrophobicContact CB-CE2 3.72Å; C445-Y469 HydrophobicContact CB-CG 4.15Å; C445-Y469 PolarHBondContact SG-O 3.15Å; D448-Y469 WeakPolarHBondContact CB-OH 3.39Å; D448-Y469 VanDerWaalsContact CG-OH 3.29Å; D448-Y469 PolarHBondContact OD2-OH 2.98Å; R465-Y469 PolarHBondContact O-N 3Å; R466-Y469 WeakPolarHBondContact O-CB 3.05Å; R466-Y469 PolarHBondContact O-N 2.71Å; S467-Y469 VanDerWaalsContact C-N 3.31Å; S467-Y469 PolarHBondContact O-N 2.72Å; Y469-W471 PolarHBondContact O-N 3.06Å; Y469-L472 PolarHBondContact O-N 2.76Å; Y469-C473 PolarHBondContact O-N 3.2Å; Y469-P481 HydrophobicContact CE1-CB 4.17Å; Y469-P481 HydrophobicContact CE1-CG 4.42Å; Y469-P481 WeakPolarHBondContact OH-CB 3.06Å; Y469-P481 WeakPolarHBondContact OH-CG 3.45Å
470Y93.2Very high88.5Confident10 Ų1035.3 Ų35.34%0.03917%0.171CC..Hα-helixtrans-65-39.8177.1-63.8-22.8000112G244 Y245 R466 S467 L472 N474 C480 P481G244-Y470 VanDerWaalsContact O-CD2 3.28Å; G244-Y470 WeakPolarHBondContact O-CD2 3.45Å; G244-Y470 WeakPolarHBondContact O-CE2 3.37Å; Y245-Y470 HydrophobicContact CD2-CE1 4.34Å; R466-Y470 HydrophobicContact CG-CD2 4.28Å; R466-Y470 HydrophobicContact CG-CE1 4.46Å; R466-Y470 HydrophobicContact CG-CE2 3.78Å; R466-Y470 PolarHBondContact O-N 3.42Å; S467-Y470 PolarHBondContact O-N 3.05Å; Y470-L472 VanDerWaalsContact C-N 3.31Å; Y470-L472 PolarHBondContact O-N 3.06Å; Y470-N474 WeakPolarHBondContact O-CB 3.36Å; Y470-N474 PolarHBondContact O-N 2.87Å; Y470-N474 VanDerWaalsContact O-N 3.09Å; Y470-N474 PolarHBondContact O-ND2 3.32Å; Y470-C480 VanDerWaalsContact CD1-SG 3.53Å; Y470-P481 WeakPolarHBondContact CE1-O 3.33Å
471W94.8Very high89.2Confident61 Ų6131.4 Ų31.423%0.23115%0.154CC..Hα-helixtrans-56.1-45.5177177.287.2000112L351 H356 M406 M408 S467 Y469 N474 A475L351-W471 HydrophobicContact CD1-CH2 4.32Å; L351-W471 HydrophobicContact CD2-CH2 4.5Å; H356-W471 HydrophobicContact CB-CH2 4.06Å; H356-W471 HydrophobicContact CB-CZ2 4.03Å; M406-W471 HydrophobicContact CB-CH2 3.91Å; M406-W471 HydrophobicContact CB-CZ3 3.78Å; M406-W471 HydrophobicContact CG-CH2 4.49Å; M406-W471 HydrophobicContact CG-CZ3 4.05Å; M406-W471 HydrophobicContact SD-CE3 4.49Å; M406-W471 HydrophobicContact SD-CZ3 3.82Å; M408-W471 HydrophobicContact CB-CD2 4.17Å; M408-W471 HydrophobicContact CB-CH2 4.38Å; M408-W471 HydrophobicContact CB-CZ2 3.93Å; M408-W471 HydrophobicContact CE-CB 4.27Å; M408-W471 HydrophobicContact CE-CD2 4.39Å; M408-W471 HydrophobicContact CE-CG 4.18Å; M408-W471 HydrophobicContact CG-CD2 4.3Å; M408-W471 HydrophobicContact CG-CE3 4.28Å; M408-W471 HydrophobicContact CG-CH2 4.44Å; M408-W471 HydrophobicContact CG-CZ2 4.44Å; M408-W471 HydrophobicContact CG-CZ3 4.37Å; M408-W471 HydrophobicContact SD-CB 4.31Å; M408-W471 HydrophobicContact SD-CD2 3.53Å; M408-W471 VanDerWaalsContact SD-CD2 3.53Å; M408-W471 HydrophobicContact SD-CE3 3.4Å; M408-W471 HydrophobicContact SD-CG 3.93Å; M408-W471 HydrophobicContact SD-CZ3 3.96Å; S467-W471 VanDerWaalsContact O-CB 3.28Å; S467-W471 WeakPolarHBondContact O-CB 3.22Å; S467-W471 PolarHBondContact O-N 2.86Å; Y469-W471 PolarHBondContact O-N 3.06Å; W471-N474 PolarHBondContact O-N 3.33Å; W471-A475 HydrophobicContact CZ2-CB 4.35Å; W471-A475 VanDerWaalsContact O-CB 3.28Å; W471-A475 WeakPolarHBondContact O-CB 3.37Å; W471-A475 PolarHBondContact O-N 2.91Å
472L95.2Very high90Very high3 Ų327.8 Ų27.82%0.01614%0.137CC..Hα-helixtrans-66.1-45.7-174.9-177.457.6000112.6L351 M406 Y442 C445 L446 S468 Y469 Y470 N474 A475 L476L351-L472 HydrophobicContact CD1-CD1 4.44Å; L351-L472 HydrophobicContact CD2-CD1 4.04Å; M406-L472 HydrophobicContact SD-CD1 3.99Å; M406-L472 HydrophobicContact SD-CD2 4.3Å; Y442-L472 HydrophobicContact CD2-CD1 4.08Å; Y442-L472 HydrophobicContact CD2-CD2 3.75Å; Y442-L472 HydrophobicContact CE2-CD1 3.89Å; Y442-L472 HydrophobicContact CE2-CD2 4.21Å; Y442-L472 HydrophobicContact CG-CD2 4.35Å; C445-L472 HydrophobicContact CB-CD2 4.09Å; L446-L472 HydrophobicContact CD1-CD2 4.18Å; L446-L472 HydrophobicContact CD2-CD2 4.21Å; L446-L472 HydrophobicContact CD2-CG 3.99Å; L446-L472 HydrophobicContact CG-CD2 3.88Å; L446-L472 HydrophobicContact CG-CG 4.21Å; S468-L472 WeakPolarHBondContact O-CB 3.44Å; S468-L472 PolarHBondContact O-N 3.32Å; Y469-L472 PolarHBondContact O-N 2.76Å; Y470-L472 VanDerWaalsContact C-N 3.31Å; Y470-L472 PolarHBondContact O-N 3.06Å; L472-N474 VanDerWaalsContact C-N 3.34Å; L472-N474 PolarHBondContact O-N 3.21Å; L472-A475 PolarHBondContact O-N 3.42Å; L472-L476 HydrophobicContact CD1-CD1 4.1Å; L472-L476 PolarHBondContact O-N 3.34Å
473C95.4Very high90.7Very high0 Ų026 Ų260%013%0.129CC..Hα-helixtrans-61.7-43.1175.3-70.50000111.8C445 Y469 L476 D477 L478 C480C445-C473 PolarHBondContact SG-SG 3.5Å; Y469-C473 PolarHBondContact O-N 3.2Å; C473-L476 PolarHBondContact O-N 3.21Å; C473-D477 PolarHBondContact O-N 2.97Å; C473-D477 VanDerWaalsContact O-N 3.16Å; C473-L478 PolarHBondContact O-N 3.12Å; C473-C480 HydrophobicContact CB-CB 3.71Å
474N95Very high91.3Very high27 Ų2725.5 Ų25.514%0.14412%0.124CC..Hα-helixtrans-70.4-37.9-178.4-68.5-36.7000112.4V246 T248 Y470 W471 L472 L476 D477V246-N474 WeakPolarHBondContact CB-ND2 3.49Å; T248-N474 HydrophobicContact CG2-CB 4.19Å; Y470-N474 WeakPolarHBondContact O-CB 3.36Å; Y470-N474 PolarHBondContact O-N 2.87Å; Y470-N474 VanDerWaalsContact O-N 3.09Å; Y470-N474 PolarHBondContact O-ND2 3.32Å; W471-N474 PolarHBondContact O-N 3.33Å; L472-N474 VanDerWaalsContact C-N 3.34Å; L472-N474 PolarHBondContact O-N 3.21Å; N474-L476 PolarHBondContact O-N 3.49Å; N474-D477 PolarHBondContact O-N 2.9Å; N474-D477 VanDerWaalsContact O-N 3.16Å
475A94.6Very high92.1Very high13 Ų1324.4 Ų24.411%0.10711%0.112CC..Hα-helixtrans-61.5-30.1177.500000112.4L351 R354 W471 L472L351-A475 HydrophobicContact CD1-CB 3.91Å; R354-A475 VanDerWaalsContact CD-O 3.23Å; R354-A475 WeakPolarHBondContact CD-O 3.45Å; R354-A475 PolarHBondContact NH1-O 2.9Å; W471-A475 HydrophobicContact CZ2-CB 4.35Å; W471-A475 VanDerWaalsContact O-CB 3.28Å; W471-A475 WeakPolarHBondContact O-CB 3.37Å; W471-A475 PolarHBondContact O-N 2.91Å; L472-A475 PolarHBondContact O-N 3.42Å
476L94.9Very high92.4Very high5 Ų521.1 Ų21.13%0.02610%0.099CC..THydrogen-bonded Turntrans-97-1.6179.4-68.7165.4000113.6L347 D350 L351 R354 L446 L472 C473 N474 L478L347-L476 HydrophobicContact CB-CD1 4.16Å; L347-L476 HydrophobicContact CD2-CD1 4.35Å; L347-L476 HydrophobicContact CD2-CD2 4.47Å; L347-L476 WeakPolarHBondContact O-CD2 3.45Å; D350-L476 HydrophobicContact CB-CD2 4.09Å; L351-L476 HydrophobicContact CB-CD2 4.15Å; L351-L476 HydrophobicContact CD1-CD2 4.05Å; L351-L476 HydrophobicContact CD1-CG 4.03Å; R354-L476 PolarHBondContact NH2-O 3.49Å; R354-L476 VanDerWaalsContact NH2-O 3.1Å; L446-L476 HydrophobicContact CD1-CD1 4.3Å; L446-L476 HydrophobicContact CD2-CD1 3.83Å; L472-L476 HydrophobicContact CD1-CD1 4.1Å; L472-L476 PolarHBondContact O-N 3.34Å; C473-L476 PolarHBondContact O-N 3.21Å; N474-L476 PolarHBondContact O-N 3.49Å; L476-L478 VanDerWaalsContact C-N 3.27Å; L476-L478 HydrophobicContact CB-CD1 3.83Å; L476-L478 HydrophobicContact CB-CG 3.77Å; L476-L478 HydrophobicContact CD1-CD1 4.13Å; L476-L478 PolarHBondContact O-N 2.86Å
477D94.9Very high92.3Very high46 Ų4618.6 Ų18.625%0.2469%0.09CC..THydrogen-bonded Turntrans53.939.9-171.9-60-58.2000113.6K250 L254 R354 C473 N474K250-D477 HydrophobicContact CD-CB 3.72Å; K250-D477 VanDerWaalsContact NZ-CG 3.3Å; K250-D477 IonicContact NZ-OD1 3.85Å; K250-D477 IonicContact NZ-OD2 3.54Å; K250-D477 PolarHBondContact NZ-OD2 3.26Å; L254-D477 WeakPolarHBondContact CD1-O 3.41Å; R354-D477 IonicContact CZ-OD2 2.73Å; R354-D477 IonicContact NH1-OD2 2.86Å; R354-D477 PolarHBondContact NH1-OD2 2.89Å; R354-D477 IonicContact NH2-OD2 3.29Å; C473-D477 PolarHBondContact O-N 2.97Å; C473-D477 VanDerWaalsContact O-N 3.16Å; N474-D477 PolarHBondContact O-N 2.9Å; N474-D477 VanDerWaalsContact O-N 3.16Å
478L95.2Very high92.3Very high44 Ų4421.3 Ų21.323%0.2310%0.096CC..  trans-95.1162.6177.7-62.7175.9000111.4L347 L446 C473 L476 C480L347-L478 HydrophobicContact CD1-CD1 3.91Å; L347-L478 HydrophobicContact CD2-CD1 3.94Å; L347-L478 HydrophobicContact CD2-CD2 4.44Å; L446-L478 HydrophobicContact CD2-CD1 3.74Å; C473-L478 PolarHBondContact O-N 3.12Å; L476-L478 VanDerWaalsContact C-N 3.27Å; L476-L478 HydrophobicContact CB-CD1 3.83Å; L476-L478 HydrophobicContact CB-CG 3.77Å; L476-L478 HydrophobicContact CD1-CD1 4.13Å; L476-L478 PolarHBondContact O-N 2.86Å; L478-C480 PolarHBondContact O-N 3.22Å
479Y96.5Very high92.2Very high15 Ų1521 Ų216%0.0599%0.094CC..  trans-54.6132.2167.8166.6-108.2000109.3N239 L255 H258 S449 I453 P481N239-Y479 PolarHBondContact ND2-OH 3.1Å; L255-Y479 HydrophobicContact CD2-CD2 4.34Å; L255-Y479 HydrophobicContact CD2-CE2 3.91Å; H258-Y479 HydrophobicContact CB-CD2 3.74Å; H258-Y479 HydrophobicContact CB-CE2 3.86Å; H258-Y479 HydrophobicContact CB-CG 4.32Å; H258-Y479 AromaticContact CD2-CE2 3.67Å; H258-Y479 AromaticContact CD2-CZ 3.9Å; H258-Y479 AromaticContact CE1-CE1 3.77Å; H258-Y479 AromaticContact CE1-CE2 3.88Å; H258-Y479 AromaticContact CE1-CZ 3.34Å; H258-Y479 PolarHBondContact CE1-OH 3.31Å; H258-Y479 AromaticContact CG-CD2 3.78Å; H258-Y479 AromaticContact CG-CE2 3.4Å; H258-Y479 VanDerWaalsContact CG-CE2 3.4Å; H258-Y479 AromaticContact CG-CZ 3.7Å; H258-Y479 AromaticContact ND1-CD2 3.99Å; H258-Y479 AromaticContact ND1-CE1 3.61Å; H258-Y479 AromaticContact ND1-CE2 3.56Å; H258-Y479 AromaticContact ND1-CZ 3.36Å; H258-Y479 AromaticContact NE2-CE2 3.95Å; H258-Y479 AromaticContact NE2-CZ 3.68Å; H258-Y479 PolarHBondContact NE2-OH 3.1Å; S449-Y479 VanDerWaalsContact CB-O 3.26Å; S449-Y479 WeakPolarHBondContact CB-O 3.5Å; S449-Y479 PolarHBondContact OG-O 3.27Å; I453-Y479 WeakPolarHBondContact O-CE1 3.38Å; I453-Y479 PolarHBondContact O-OH 2.98Å; I453-Y479 VanDerWaalsContact O-OH 3.09Å; Y479-P481 HydrophobicContact CD1-CG 4.26Å; Y479-P481 HydrophobicContact CE1-CB 4.41Å; Y479-P481 HydrophobicContact CE1-CG 3.89Å; Y479-P481 WeakPolarHBondContact O-CD 3.25Å
480C96.3Very high91.9Very high3 Ų322.4 Ų22.42%0.0210%0.103CC..  trans-109.4107.7-176.9-169.80000109.7N239 Y245 Y470 C473 L478N239-C480 PolarHBondContact ND2-O 3.22Å; Y245-C480 HydrophobicContact CE2-CB 3.99Å; Y245-C480 WeakPolarHBondContact CE2-O 3.42Å; Y245-C480 WeakPolarHBondContact OH-CB 3.09Å; Y245-C480 PolarHBondContact OH-O 2.89Å; Y470-C480 VanDerWaalsContact CD1-SG 3.53Å; C473-C480 HydrophobicContact CB-CB 3.71Å; L478-C480 PolarHBondContact O-N 3.22Å
481P96.1Very high91.7Very high0 Ų022.6 Ų22.60%010%0.104CC..PPolyproline II helixtrans-62156.1171.8-23.134.6000111.6D448 I453 Y469 Y470 Y479D448-P481 HydrophobicContact CB-CB 4.28Å; D448-P481 HydrophobicContact CB-CG 3.69Å; I453-P481 VanDerWaalsContact O-CB 3.27Å; I453-P481 WeakPolarHBondContact O-CB 3.33Å; Y469-P481 HydrophobicContact CE1-CB 4.17Å; Y469-P481 HydrophobicContact CE1-CG 4.42Å; Y469-P481 WeakPolarHBondContact OH-CB 3.06Å; Y469-P481 WeakPolarHBondContact OH-CG 3.45Å; Y470-P481 WeakPolarHBondContact CE1-O 3.33Å; Y479-P481 HydrophobicContact CD1-CG 4.26Å; Y479-P481 HydrophobicContact CE1-CB 4.41Å; Y479-P481 HydrophobicContact CE1-CG 3.89Å; Y479-P481 WeakPolarHBondContact O-CD 3.25Å
482V94.3Very high91.5Very high1 Ų119.9 Ų19.91%0.0069%0.094CC..EExtended strand (participates in β ladder)trans-90.5125.8170.6-174.80000109.7H234 N239 T242 Y245 S456 W484H234-V482 WeakPolarHBondContact NE2-CG2 3.15Å; N239-V482 HydrophobicContact CB-CG2 3.57Å; T242-V482 HydrophobicContact CG2-CG1 3.98Å; T242-V482 HydrophobicContact CG2-CG2 4.1Å; Y245-V482 HydrophobicContact CD2-CG2 4.19Å; Y245-V482 HydrophobicContact CE2-CG2 4.22Å; S456-V482 WeakPolarHBondContact CB-O 3.38Å; S456-V482 PolarHBondContact N-O 3.09Å; V482-W484 HydrophobicContact CG1-CZ2 4.38Å; V482-W484 VanDerWaalsContact CG1-NE1 3.31Å
483Q92.4Very high91.2Very high12 Ų1221.2 Ų21.26%0.05610%0.099CC..EExtended strand (participates in β ladder)trans-91129.1173.9-173178.110.700110.4S456 C458 R466S456-Q483 WeakPolarHBondContact O-CA 3.18Å; C458-Q483 PolarHBondContact SG-NE2 3.27Å; R466-Q483 VanDerWaalsContact CA-OE1 3.26Å; R466-Q483 HydrophobicContact CG-CB 4.26Å
484W89.8Confident90.9Very high66 Ų6621.8 Ų21.825%0.2510%0.103CC..EExtended strand (participates in β ladder)trans-123135.4173.6-70.397.4000110.5F233 H234 T242 S456 L457 C458 V482F233-W484 AromaticContact CD1-CD2 3.92Å; F233-W484 HydrophobicContact CD1-CD2 3.92Å; F233-W484 AromaticContact CD1-CE2 3.83Å; F233-W484 HydrophobicContact CD1-CE3 4.25Å; F233-W484 HydrophobicContact CD1-CG 4.39Å; F233-W484 HydrophobicContact CD1-CH2 4.4Å; F233-W484 HydrophobicContact CD1-CZ2 4.09Å; F233-W484 HydrophobicContact CD1-CZ3 4.48Å; F233-W484 HydrophobicContact CE1-CB 4.43Å; F233-W484 AromaticContact CE1-CD2 3.63Å; F233-W484 HydrophobicContact CE1-CD2 3.63Å; F233-W484 AromaticContact CE1-CE3 3.77Å; F233-W484 HydrophobicContact CE1-CE3 3.77Å; F233-W484 AromaticContact CE1-CG 3.94Å; F233-W484 HydrophobicContact CE1-CG 3.94Å; F233-W484 HydrophobicContact CE1-CZ3 4.3Å; F233-W484 HydrophobicContact CZ-CB 4.25Å; F233-W484 HydrophobicContact CZ-CD2 4.29Å; F233-W484 HydrophobicContact CZ-CG 4.13Å; H234-W484 AromaticContact ND1-NE1 3.74Å; T242-W484 HydrophobicContact CG2-CZ2 4.04Å; S456-W484 PolarHBondContact O-N 3.01Å; L457-W484 WeakPolarHBondContact CA-O 3.36Å; L457-W484 HydrophobicContact CD2-CB 3.8Å; L457-W484 HydrophobicContact CD2-CG 4.4Å; C458-W484 PolarHBondContact N-O 3.15Å; V482-W484 HydrophobicContact CG1-CZ2 4.38Å; V482-W484 VanDerWaalsContact CG1-NE1 3.31Å
485E88.3Confident90.6Very high21 Ų2120.7 Ų20.710%0.09810%0.097CC..EExtended strand (participates in β ladder)trans-103.6137.2179.3-55.385.4175.800112.4C458 Q463 R466C458-E485 CarbonylContact O-C 3.55Å; C458-E485 VanDerWaalsContact O-CA 3.26Å; C458-E485 WeakPolarHBondContact O-CA 3.5Å; Q463-E485 HydrophobicContact CB-CG 3.99Å; Q463-E485 HydrophobicContact CG-CG 4.31Å; R466-E485 WeakPolarHBondContact CD-OE1 3.29Å; R466-E485 IonicContact NE-OE1 3.87Å; R466-E485 IonicContact NH1-OE1 3.3Å; R466-E485 IonicContact NH1-OE2 2.78Å; R466-E485 PolarHBondContact NH1-OE2 3.26Å
486Y86.5Confident90Very high10 Ų1021.2 Ų21.24%0.03910%0.099CC..EExtended strand (participates in β ladder)trans-123.7155.8169.663.2-89.4000111.6K284 A285 F288 L457 C458 T459 K460 R488K284-Y486 HydrophobicContact CD-CD2 4.33Å; K284-Y486 HydrophobicContact CD-CE2 4.44Å; K284-Y486 HydrophobicContact CG-CE2 4.31Å; A285-Y486 VanDerWaalsContact CA-OH 3.29Å; A285-Y486 WeakPolarHBondContact CA-OH 3.48Å; A285-Y486 WeakPolarHBondContact CB-OH 3.46Å; F288-Y486 AromaticContact CD1-CD1 3.44Å; F288-Y486 HydrophobicContact CD1-CD1 3.44Å; F288-Y486 VanDerWaalsContact CD1-CD1 3.44Å; F288-Y486 AromaticContact CD1-CE1 3.67Å; F288-Y486 HydrophobicContact CD1-CE1 3.67Å; F288-Y486 HydrophobicContact CD1-CG 4.07Å; F288-Y486 AromaticContact CE1-CD1 3.6Å; F288-Y486 HydrophobicContact CE1-CD1 3.6Å; F288-Y486 HydrophobicContact CE1-CE1 4.24Å; F288-Y486 HydrophobicContact CE1-CG 4.18Å; L457-Y486 HydrophobicContact CB-CD1 4.49Å; L457-Y486 HydrophobicContact CB-CE1 4.23Å; C458-Y486 WeakPolarHBondContact O-CD1 3.17Å; C458-Y486 VanDerWaalsContact O-CE1 3.26Å; C458-Y486 WeakPolarHBondContact O-CE1 3.32Å; C458-Y486 PolarHBondContact O-N 3.02Å; T459-Y486 CarbonylContact C-O 3.58Å; T459-Y486 VanDerWaalsContact CA-O 3.31Å; T459-Y486 WeakPolarHBondContact CA-O 3.14Å; T459-Y486 HydrophobicContact CG2-CE2 3.88Å; K460-Y486 PolarHBondContact N-O 3.27Å; Y486-R488 PolarHBondContact O-N 2.76Å
487G82.4Confident89.5Confident0 Ų023.4 Ų23.40%011%0.114CC..PPolyproline II helixtrans-68.1130.2178.600000111.8K284 T547 S549K284-G487 PolarHBondContact NZ-O 3.28Å; G487-T547 PolarHBondContact N-O 2.98Å; G487-S549 WeakPolarHBondContact CA-O 3.44Å
488R83.2Confident88.9Confident84 Ų8424.3 Ų24.332%0.31712%0.116SC..PPolyproline II helixtrans-58.8140.2172.2-176.2176.1174.9157.58.9110.4E461 Y486 N490 T551E461-R488 WeakPolarHBondContact OE1-CB 3.43Å; Y486-R488 PolarHBondContact O-N 2.76Å; R488-N490 PolarHBondContact NE-OD1 2.98Å; R488-T551 PolarHBondContact O-N 3.17Å
489L85.4Confident88.4Confident3 Ų332.7 Ų32.72%0.01615%0.145CC..EExtended strand (participates in β ladder)trans-94119.3171.1169.567.4000108.8I280 K284 F540 V544I280-L489 HydrophobicContact CG1-CD2 4.41Å; K284-L489 HydrophobicContact CB-CB 4.33Å; K284-L489 HydrophobicContact CB-CD2 4.19Å; K284-L489 HydrophobicContact CD-CB 3.82Å; L489-F540 HydrophobicContact CD1-CE1 4.28Å; L489-F540 HydrophobicContact CD1-CZ 4.28Å; L489-F540 HydrophobicContact CD2-CE1 3.83Å; L489-V544 HydrophobicContact CD1-CG1 4.36Å
490N85.3Confident88Confident47 Ų4734.6 Ų34.625%0.25115%0.153SC..EExtended strand (participates in β ladder)trans-121.4146.3171.1-68.6-36000109.4R488 T551 T552 T553R488-N490 PolarHBondContact NE-OD1 2.98Å; N490-T551 PolarHBondContact N-O 2.99Å; N490-T551 VanDerWaalsContact N-O 3.15Å; N490-T552 WeakPolarHBondContact O-CA 3.29Å; N490-T553 PolarHBondContact O-N 3.39Å
491L89.2Confident87.6Confident13 Ų1334.6 Ų34.67%0.06815%0.153CC..EExtended strand (participates in β ladder)trans-104.6152.2170.3-64.1-177.8000110I280 T494 F522 F540 T553 L558I280-L491 HydrophobicContact CB-CD1 4.47Å; I280-L491 HydrophobicContact CG1-CD1 4.22Å; I280-L491 HydrophobicContact CG2-CD1 3.78Å; I280-L491 HydrophobicContact CG2-CG 3.99Å; L491-T494 HydrophobicContact CB-CG2 3.73Å; L491-T494 WeakPolarHBondContact O-CG2 3.32Å; L491-F522 HydrophobicContact CD1-CD1 3.51Å; L491-F522 HydrophobicContact CD1-CE1 3.67Å; L491-F522 HydrophobicContact CD1-CG 4.41Å; L491-F540 HydrophobicContact CD2-CZ 4.04Å; L491-T553 VanDerWaalsContact CA-O 3.23Å; L491-T553 WeakPolarHBondContact CA-O 3.32Å; L491-T553 HydrophobicContact CD2-CG2 4.43Å; L491-T553 WeakPolarHBondContact CD2-O 3.38Å; L491-L558 HydrophobicContact CD1-CD2 4.23Å
492T90.1Very high87.1Confident4 Ų437.3 Ų37.33%0.02517%0.167CC..SBendtrans-79.4167.5167.2580000111.5T494 T552 T553 P555 K704T492-T494 PolarHBondContact O-N 2.92Å; T492-T552 HydrophobicContact CG2-CG2 3.43Å; T492-T552 VanDerWaalsContact CG2-CG2 3.43Å; T492-T553 PolarHBondContact N-O 3.21Å; T492-P555 WeakPolarHBondContact O-CG 3.05Å; T492-K704 WeakPolarHBondContact CB-O 3.27Å; T492-K704 HydrophobicContact CG2-CD 4.28Å; T492-K704 HydrophobicContact CG2-CG 3.66Å
493Y89.4Confident86.7Confident31 Ų3141.9 Ų41.912%0.12219%0.187CC..SBendtrans58.526.5-177.9-54.4-86.4000114.1F701 H703 K704Y493-F701 WeakPolarHBondContact O-CD2 3.37Å; Y493-H703 WeakPolarHBondContact CD1-O 3.23Å; Y493-K704 HydrophobicContact CE1-CB 4.17Å; Y493-K704 HydrophobicContact CE2-CB 4.25Å; Y493-K704 HydrophobicContact CE2-CG 4.01Å; Y493-K704 PolarHBondContact N-O 2.95Å
494T89.4Confident86.5Confident13 Ų1341.3 Ų41.38%0.0818%0.184CC..  trans-144161.8-177.9-172.40000112L491 T492 V496 F522L491-T494 HydrophobicContact CB-CG2 3.73Å; L491-T494 WeakPolarHBondContact O-CG2 3.32Å; T492-T494 PolarHBondContact O-N 2.92Å; T494-V496 HydrophobicContact CG2-CG1 4.34Å; T494-F522 HydrophobicContact CG2-CD2 4.41Å; T494-F522 VanDerWaalsContact OG1-CD2 3.22Å; T494-F522 WeakPolarHBondContact OG1-CD2 3.35Å
495V87.8Confident86.3Confident3 Ų340.1 Ų40.12%0.01818%0.184CC..  trans-131.6124.9172.7177.80000107.6K500 F701 P706 E707 F716V495-K500 HydrophobicContact CG1-CB 3.43Å; V495-K500 VanDerWaalsContact CG1-CB 3.43Å; V495-K500 HydrophobicContact CG1-CD 3.46Å; V495-K500 VanDerWaalsContact CG1-CD 3.46Å; V495-K500 HydrophobicContact CG1-CG 4.05Å; V495-F701 HydrophobicContact CB-CE2 4.22Å; V495-F701 HydrophobicContact CB-CZ 4.24Å; V495-F701 HydrophobicContact CG2-CE1 4.38Å; V495-F701 HydrophobicContact CG2-CE2 3.75Å; V495-F701 HydrophobicContact CG2-CZ 3.62Å; V495-P706 HydrophobicContact CG2-CB 4.49Å; V495-P706 HydrophobicContact CG2-CG 3.91Å; V495-E707 HydrophobicContact CG2-CG 3.93Å; V495-F716 HydrophobicContact CG2-CD2 4.43Å
496V82.9Confident86.1Confident25 Ų2546.3 Ų46.315%0.15221%0.213CC..  trans-113.6-0.6-173.4-63.20000113.9H279 T494 K498H279-V496 HydrophobicContact CB-CB 4.25Å; H279-V496 HydrophobicContact CB-CG1 4.18Å; T494-V496 HydrophobicContact CG2-CG1 4.34Å; V496-K498 PolarHBondContact O-N 3.29Å
497S84.4Confident85.9Confident50 Ų5049.2 Ų49.235%0.3523%0.232SC..  trans-71.7126.8178.21770000111.4R499 K500 I501S497-R499 VanDerWaalsContact C-N 3.3Å; S497-R499 PolarHBondContact O-N 3.38Å; S497-K500 PolarHBondContact O-N 2.93Å; S497-I501 WeakPolarHBondContact O-CG1 2.94Å; S497-I501 PolarHBondContact O-N 3.24Å
498K82.9Confident85.7Confident65 Ų6551 Ų5128%0.28325%0.251SS..Hα-helixtrans-47.7-49.1176.6177.1178.2173.4179.90112.4N275 I277 V496 K500 I501 I502N275-K498 WeakPolarHBondContact O-CE 3.37Å; N275-K498 PolarHBondContact O-NZ 3.42Å; I277-K498 HydrophobicContact CD1-CG 4.28Å; V496-K498 PolarHBondContact O-N 3.29Å; K498-K500 VanDerWaalsContact C-N 3.29Å; K498-K500 PolarHBondContact O-N 3.3Å; K498-I501 PolarHBondContact O-N 2.78Å; K498-I502 HydrophobicContact CG-CD1 3.78Å; K498-I502 WeakPolarHBondContact O-CG1 3.38Å; K498-I502 PolarHBondContact O-N 2.74Å
499R84.6Confident85.1Confident220 Ų22048.6 Ų48.683%0.8325%0.245SC*.Hα-helixtrans-60.1-38.3179.9-67.2-176.8-178.8174.60.2112.5S497 K503S497-R499 VanDerWaalsContact C-N 3.3Å; S497-R499 PolarHBondContact O-N 3.38Å; R499-K503 WeakPolarHBondContact O-CB 3.37Å; R499-K503 PolarHBondContact O-N 2.82Å
500K87.6Confident84.3Confident56 Ų5648.5 Ų48.524%0.24325%0.245CC..Hα-helixtrans-77.3-38.1-179.3-65-173.9175.7-176.20111.7V495 S497 K498 K503 L504 E707 F716V495-K500 HydrophobicContact CG1-CB 3.43Å; V495-K500 VanDerWaalsContact CG1-CB 3.43Å; V495-K500 HydrophobicContact CG1-CD 3.46Å; V495-K500 VanDerWaalsContact CG1-CD 3.46Å; V495-K500 HydrophobicContact CG1-CG 4.05Å; S497-K500 PolarHBondContact O-N 2.93Å; K498-K500 VanDerWaalsContact C-N 3.29Å; K498-K500 PolarHBondContact O-N 3.3Å; K500-K503 WeakPolarHBondContact O-CB 3.32Å; K500-K503 PolarHBondContact O-N 3.03Å; K500-L504 WeakPolarHBondContact O-CG 3.27Å; K500-L504 PolarHBondContact O-N 3.41Å; K500-E707 WeakPolarHBondContact CD-OE1 3.45Å; K500-E707 WeakPolarHBondContact CE-OE1 3.02Å; K500-E707 IonicContact NZ-OE1 3.58Å; K500-E707 PolarHBondContact NZ-OE1 2.96Å; K500-F716 HydrophobicContact CB-CE1 4.33Å; K500-F716 HydrophobicContact CB-CE2 4.08Å; K500-F716 HydrophobicContact CB-CZ 3.76Å; K500-F716 HydrophobicContact CD-CD1 4.15Å; K500-F716 HydrophobicContact CD-CE1 3.93Å; K500-F716 HydrophobicContact CD-CZ 4.2Å; K500-F716 HydrophobicContact CG-CE1 3.89Å; K500-F716 HydrophobicContact CG-CZ 3.84Å
501I87.8Confident82.7Confident2 Ų250.3 Ų50.31%0.0126%0.261CS..Hα-helixtrans-62.7-48.1174.6-67.7170000110.4I277 S497 K498 K503 L504 V505 W516 L521 T523I277-I501 HydrophobicContact CD1-CG2 4.28Å; S497-I501 WeakPolarHBondContact O-CG1 2.94Å; S497-I501 PolarHBondContact O-N 3.24Å; K498-I501 PolarHBondContact O-N 2.78Å; I501-K503 VanDerWaalsContact C-N 3.26Å; I501-K503 PolarHBondContact O-N 3.43Å; I501-L504 WeakPolarHBondContact O-CB 3.19Å; I501-L504 PolarHBondContact O-N 3.31Å; I501-V505 WeakPolarHBondContact O-CG2 3.43Å; I501-V505 PolarHBondContact O-N 2.91Å; I501-W516 HydrophobicContact CG2-CB 3.91Å; I501-L521 HydrophobicContact CG2-CD1 4.02Å; I501-T523 HydrophobicContact CD1-CG2 3.8Å
502I85.1Confident80.9Confident57 Ų5752.3 Ų52.329%0.29227%0.271SS..Hα-helixtrans-57.1-43.7175.7-68.4169000110.2K498 L504 V505 E506K498-I502 HydrophobicContact CG-CD1 3.78Å; K498-I502 WeakPolarHBondContact O-CG1 3.38Å; K498-I502 PolarHBondContact O-N 2.74Å; I502-L504 VanDerWaalsContact C-N 3.29Å; I502-L504 PolarHBondContact O-N 3.4Å; I502-V505 PolarHBondContact O-N 2.88Å; I502-V505 VanDerWaalsContact O-N 3.09Å; I502-E506 HydrophobicContact CG2-CG 4.12Å; I502-E506 WeakPolarHBondContact CG2-OE1 3.46Å; I502-E506 WeakPolarHBondContact O-CG 3.48Å; I502-E506 PolarHBondContact O-N 3.11Å
503K87.3Confident79Confident98 Ų9852.6 Ų52.643%0.42627%0.273SS..Hα-helixtrans-60.9-34.6176.2-164.4176.6-171.2-1720113.3R499 K500 I501 T507 F716 L717R499-K503 WeakPolarHBondContact O-CB 3.37Å; R499-K503 PolarHBondContact O-N 2.82Å; K500-K503 WeakPolarHBondContact O-CB 3.32Å; K500-K503 PolarHBondContact O-N 3.03Å; I501-K503 VanDerWaalsContact C-N 3.26Å; I501-K503 PolarHBondContact O-N 3.43Å; K503-T507 HydrophobicContact CG-CG2 4.41Å; K503-T507 WeakPolarHBondContact O-CB 3.39Å; K503-T507 WeakPolarHBondContact O-CG2 3.39Å; K503-T507 PolarHBondContact O-N 2.92Å; K503-T507 VanDerWaalsContact O-N 3.12Å; K503-T507 PolarHBondContact O-OG1 3.04Å; K503-F716 HydrophobicContact CD-CZ 4.19Å; K503-L717 HydrophobicContact CD-CD1 3.9Å; K503-L717 HydrophobicContact CG-CD1 4.28Å
504L87.1Confident77.2Confident0 Ų063.1 Ų63.10%031%0.313CS..Hα-helixtrans-69.8-32.7175.3-71.2168.1000112.6K500 I501 I502 T507 V509 V510 L521 L700 F701 F716 L717 I720K500-L504 WeakPolarHBondContact O-CG 3.27Å; K500-L504 PolarHBondContact O-N 3.41Å; I501-L504 WeakPolarHBondContact O-CB 3.19Å; I501-L504 PolarHBondContact O-N 3.31Å; I502-L504 VanDerWaalsContact C-N 3.29Å; I502-L504 PolarHBondContact O-N 3.4Å; L504-T507 PolarHBondContact O-OG1 3.45Å; L504-V509 HydrophobicContact CD2-CB 4.37Å; L504-V509 HydrophobicContact CD2-CG1 4.1Å; L504-V509 PolarHBondContact O-N 2.98Å; L504-V510 HydrophobicContact CB-CG2 3.84Å; L504-V510 PolarHBondContact O-N 3.14Å; L504-L521 HydrophobicContact CD1-CD2 4.23Å; L504-L700 HydrophobicContact CD1-CD2 4.4Å; L504-F701 HydrophobicContact CD1-CZ 4.17Å; L504-F716 HydrophobicContact CD1-CE2 4.46Å; L504-F716 HydrophobicContact CD2-CD2 4.46Å; L504-F716 HydrophobicContact CD2-CE2 3.99Å; L504-F716 HydrophobicContact CG-CE2 4.02Å; L504-L717 HydrophobicContact CD2-CD2 3.64Å; L504-L717 HydrophobicContact CG-CD2 4.5Å; L504-I720 HydrophobicContact CD2-CD1 4.36Å
505V84.9Confident76Confident40 Ų4065.2 Ų65.224%0.24232%0.324CS..Hα-helixtrans-73.5-48.4175.4177.50000110I501 I502 T507 G508I501-V505 WeakPolarHBondContact O-CG2 3.43Å; I501-V505 PolarHBondContact O-N 2.91Å; I502-V505 PolarHBondContact O-N 2.88Å; I502-V505 VanDerWaalsContact O-N 3.09Å; V505-T507 VanDerWaalsContact C-N 3.31Å; V505-T507 PolarHBondContact O-N 3.41Å; V505-G508 PolarHBondContact O-N 3.34Å
506E84.7Confident75.6Confident151 Ų15166.1 Ų66.171%0.70633%0.327SS*.Hα-helixtrans-60.6-36.4179.4-73.2175.1169.900113.2I502 G508I502-E506 HydrophobicContact CG2-CG 4.12Å; I502-E506 WeakPolarHBondContact CG2-OE1 3.46Å; I502-E506 WeakPolarHBondContact O-CG 3.48Å; I502-E506 PolarHBondContact O-N 3.11Å; E506-G508 PolarHBondContact O-N 2.74Å
507T82.9Confident75.8Confident72 Ų7266.4 Ų66.444%0.44233%0.328SS..THydrogen-bonded Turntrans-77.7-3.5177.857.10000113.1K503 L504 V505 V509 L717K503-T507 HydrophobicContact CG-CG2 4.41Å; K503-T507 WeakPolarHBondContact O-CB 3.39Å; K503-T507 WeakPolarHBondContact O-CG2 3.39Å; K503-T507 PolarHBondContact O-N 2.92Å; K503-T507 VanDerWaalsContact O-N 3.12Å; K503-T507 PolarHBondContact O-OG1 3.04Å; L504-T507 PolarHBondContact O-OG1 3.45Å; V505-T507 VanDerWaalsContact C-N 3.31Å; V505-T507 PolarHBondContact O-N 3.41Å; T507-V509 PolarHBondContact O-N 2.7Å; T507-V509 VanDerWaalsContact OG1-CG2 3.25Å; T507-V509 WeakPolarHBondContact OG1-CG2 3.46Å; T507-L717 HydrophobicContact CG2-CD1 4.49Å
508G77.9Confident76.1Confident38 Ų3864 Ų6439%0.39231%0.311SS..THydrogen-bonded Turntrans67.614.1-178.600000113.9V505 E506 V510 S511V505-G508 PolarHBondContact O-N 3.34Å; E506-G508 PolarHBondContact O-N 2.74Å; G508-V510 PolarHBondContact O-N 2.72Å; G508-S511 WeakPolarHBondContact O-CA 3.29Å; G508-S511 WeakPolarHBondContact O-CB 3.48Å; G508-S511 PolarHBondContact O-N 2.6Å
509V70.9Confident76.6Confident32 Ų3261 Ų6119%0.19430%0.297CS..THydrogen-bonded Turntrans-63.3-36.5174.6166.40000110.3L504 T507 S511 R520 L700 I720L504-V509 HydrophobicContact CD2-CB 4.37Å; L504-V509 HydrophobicContact CD2-CG1 4.1Å; L504-V509 PolarHBondContact O-N 2.98Å; T507-V509 PolarHBondContact O-N 2.7Å; T507-V509 VanDerWaalsContact OG1-CG2 3.25Å; T507-V509 WeakPolarHBondContact OG1-CG2 3.46Å; V509-S511 PolarHBondContact O-N 3.32Å; V509-R520 PolarHBondContact O-NH2 2.87Å; V509-L700 HydrophobicContact CG1-CD1 4.26Å; V509-I720 HydrophobicContact CB-CD1 3.96Å; V509-I720 HydrophobicContact CG1-CB 4.48Å; V509-I720 HydrophobicContact CG1-CD1 3.44Å; V509-I720 VanDerWaalsContact CG1-CD1 3.44Å; V509-I720 HydrophobicContact CG1-CG1 3.96Å; V509-I720 HydrophobicContact CG1-CG2 3.73Å; V509-I720 HydrophobicContact CG2-CD1 3.32Å
510V67.8Low76.9Confident2 Ų251.2 Ų51.21%0.01226%0.261CS..THydrogen-bonded Turntrans-96.255.1177.4-172.20000108L504 G508 L512 D518 L521L504-V510 HydrophobicContact CB-CG2 3.84Å; L504-V510 PolarHBondContact O-N 3.14Å; G508-V510 PolarHBondContact O-N 2.72Å; V510-L512 PolarHBondContact O-N 2.91Å; V510-D518 HydrophobicContact CB-CB 4.48Å; V510-D518 HydrophobicContact CG1-CB 3Å; V510-D518 VanDerWaalsContact CG1-OD2 3.25Å; V510-D518 WeakPolarHBondContact CG1-OD2 3.39Å; V510-L521 HydrophobicContact CG1-CD1 4.32Å
511S52.4Low77.1Confident84 Ų8448.8 Ų48.859%0.58725%0.25SS*.THydrogen-bonded Turntrans-71.4-20.8-163.142.10000116.8G508 V509 C513G508-S511 WeakPolarHBondContact O-CA 3.29Å; G508-S511 WeakPolarHBondContact O-CB 3.48Å; G508-S511 PolarHBondContact O-N 2.6Å; V509-S511 PolarHBondContact O-N 3.32Å; S511-C513 VanDerWaalsContact C-N 3.34Å
512L51.5Low77.4Confident56 Ų5649.5 Ų49.529%0.29325%0.253SS..THydrogen-bonded Turntrans-84.1-10-177.1-79.7-170.9000113.7V510 R695 L725 V727V510-L512 PolarHBondContact O-N 2.91Å; L512-R695 HydrophobicContact CD1-CG 4.5Å; L512-L725 HydrophobicContact CB-CD2 4.39Å; L512-L725 HydrophobicContact CD1-CD1 3.63Å; L512-L725 HydrophobicContact CD1-CD2 3.16Å; L512-L725 HydrophobicContact CD1-CG 3.93Å; L512-L725 HydrophobicContact CG-CD2 3.46Å; L512-L725 VanDerWaalsContact CG-CD2 3.46Å; L512-V727 HydrophobicContact CD1-CG2 3.89Å
513C49.4Very low77.7Confident10 Ų1046.8 Ų46.87%0.06824%0.24CC..  trans-116.6138.3179.8-61.10000109.5S511 D515 D517 D518 R529S511-C513 VanDerWaalsContact C-N 3.34Å; C513-D515 PolarHBondContact O-N 2.97Å; C513-D517 WeakPolarHBondContact CB-OD1 3.46Å; C513-D518 HydrophobicContact CB-CB 4.01Å; C513-D518 WeakPolarHBondContact SG-CA 3.49Å; C513-R529 PolarHBondContact SG-NH1 3.33Å
514R51.5Low78Confident251 Ų25142.1 Ų42.195%0.94722%0.219SC*.SBendtrans-70.6-6.7171.8-65.9180-180176.10.6111.7
515D64.7Low78.3Confident58 Ų5843.9 Ų43.931%0.3123%0.23SC..SBendtrans-150.6-172.5-167.8-137.9-7.2000115C513 D517C513-D515 PolarHBondContact O-N 2.97Å; D515-D517 PolarHBondContact O-N 3.24Å; D515-D517 VanDerWaalsContact O-N 3.17Å
516W80Confident78.6Confident21 Ų2142 Ų428%0.0822%0.219CC..THydrogen-bonded Turntrans-77.416.7-177.46477.5000116I277 K315 Y316 I501 T523I277-W516 HydrophobicContact CD1-CB 3.96Å; I277-W516 HydrophobicContact CD1-CD2 4.01Å; I277-W516 HydrophobicContact CD1-CE3 4.3Å; I277-W516 HydrophobicContact CD1-CG 3.81Å; I277-W516 HydrophobicContact CG1-CD2 4.29Å; I277-W516 HydrophobicContact CG1-CG 4.27Å; I277-W516 HydrophobicContact CG2-CG 4.08Å; K315-W516 HydrophobicContact CD-CH2 3.59Å; K315-W516 HydrophobicContact CD-CZ3 4.16Å; K315-W516 HydrophobicContact CG-CH2 3.87Å; Y316-W516 AromaticContact CD1-CH2 3.99Å; Y316-W516 HydrophobicContact CD1-CH2 3.99Å; Y316-W516 AromaticContact CD1-CZ2 3.87Å; Y316-W516 HydrophobicContact CD1-CZ2 3.87Å; Y316-W516 HydrophobicContact CE1-CD2 4.13Å; Y316-W516 AromaticContact CE1-CE2 3.9Å; Y316-W516 AromaticContact CE1-CE3 3.84Å; Y316-W516 HydrophobicContact CE1-CE3 3.84Å; Y316-W516 AromaticContact CE1-CH2 3.35Å; Y316-W516 HydrophobicContact CE1-CH2 3.35Å; Y316-W516 AromaticContact CE1-CZ2 3.52Å; Y316-W516 HydrophobicContact CE1-CZ2 3.52Å; Y316-W516 AromaticContact CE1-CZ3 3.47Å; Y316-W516 HydrophobicContact CE1-CZ3 3.47Å; Y316-W516 VanDerWaalsContact CE1-CZ3 3.47Å; Y316-W516 AromaticContact CZ-CH2 3.77Å; Y316-W516 AromaticContact CZ-CZ3 3.58Å; Y316-W516 WeakPolarHBondContact OH-CZ3 3.48Å; I501-W516 HydrophobicContact CG2-CB 3.91Å; W516-T523 PolarHBondContact O-OG1 3.32Å
517D87.4Confident79.1Confident32 Ų3234.8 Ų34.817%0.17119%0.185CC..THydrogen-bonded Turntrans-102.110.9-174.570.5-29.5000114.1C513 D515 T525 A526 R529C513-D517 WeakPolarHBondContact CB-OD1 3.46Å; D515-D517 PolarHBondContact O-N 3.24Å; D515-D517 VanDerWaalsContact O-N 3.17Å; D517-T525 HydrophobicContact CB-CG2 3.8Å; D517-A526 WeakPolarHBondContact O-CA 3.18Å; D517-R529 WeakPolarHBondContact O-CD 3.46Å; D517-R529 IonicContact OD1-NH1 3.64Å; D517-R529 PolarHBondContact OD1-NH1 3.45Å; D517-R529 VanDerWaalsContact OD2-CD 3.26Å; D517-R529 WeakPolarHBondContact OD2-CD 3.47Å; D517-R529 IonicContact OD2-CZ 2.85Å; D517-R529 IonicContact OD2-NE 3.64Å; D517-R529 IonicContact OD2-NH1 2.73Å; D517-R529 PolarHBondContact OD2-NH1 2.93Å
518D90.8Very high79.7Confident0 Ų035.1 Ų35.10%018%0.178CC..  trans-60.7129.4178.3-176.1-65.8000112.6V510 C513 R520 L521 A526V510-D518 HydrophobicContact CB-CB 4.48Å; V510-D518 HydrophobicContact CG1-CB 3Å; V510-D518 VanDerWaalsContact CG1-OD2 3.25Å; V510-D518 WeakPolarHBondContact CG1-OD2 3.39Å; C513-D518 HydrophobicContact CB-CB 4.01Å; C513-D518 WeakPolarHBondContact SG-CA 3.49Å; D518-R520 PolarHBondContact O-N 3.07Å; D518-R520 VanDerWaalsContact OD1-CB 3.28Å; D518-R520 WeakPolarHBondContact OD1-CB 3.43Å; D518-R520 WeakPolarHBondContact OD1-CG 3.44Å; D518-R520 IonicContact OD1-CZ 3.19Å; D518-R520 PolarHBondContact OD1-N 2.98Å; D518-R520 IonicContact OD1-NE 3.51Å; D518-R520 PolarHBondContact OD1-NE 3.2Å; D518-R520 IonicContact OD1-NH2 3.01Å; D518-R520 IonicContact OD2-CZ 3.46Å; D518-R520 IonicContact OD2-NE 2.87Å; D518-R520 PolarHBondContact OD2-NE 3.47Å; D518-R520 IonicContact OD2-NH2 2.8Å; D518-R520 PolarHBondContact OD2-NH2 3.35Å; D518-L521 HydrophobicContact CB-CD1 4.42Å; D518-L521 HydrophobicContact CB-CG 4.45Å; D518-L521 WeakPolarHBondContact O-CB 3.41Å; D518-L521 PolarHBondContact O-N 3.23Å; D518-A526 WeakPolarHBondContact O-CB 3.41Å
519P92.2Very high80.5Confident0 Ų034 Ų340%016%0.162CC..THydrogen-bonded Turntrans-53.5-16.5-177.6-34.441.1000117.2R529 R530 Y697P519-R529 HydrophobicContact CG-CG 4.28Å; P519-R530 HydrophobicContact CB-CB 3.73Å; P519-R530 HydrophobicContact CB-CG 4.02Å; P519-R530 HydrophobicContact CG-CB 4.39Å; P519-R530 WeakPolarHBondContact O-CD 3.47Å; P519-Y697 HydrophobicContact CB-CD1 4.22Å; P519-Y697 HydrophobicContact CB-CD2 3.89Å; P519-Y697 HydrophobicContact CB-CE1 3.97Å; P519-Y697 HydrophobicContact CB-CE2 3.67Å; P519-Y697 HydrophobicContact CB-CG 4.15Å; P519-Y697 HydrophobicContact CG-CD2 4.49Å; P519-Y697 HydrophobicContact CG-CE1 4.16Å; P519-Y697 HydrophobicContact CG-CE2 3.79Å
520R91.1Very high81.6Confident15 Ų1533.7 Ų33.76%0.05716%0.157CC..THydrogen-bonded Turntrans-81.3-17.5175.8-62.9170.5-71.2175.5-3113.1V509 D518 Y697 L700 S724V509-R520 PolarHBondContact O-NH2 2.87Å; D518-R520 PolarHBondContact O-N 3.07Å; D518-R520 VanDerWaalsContact OD1-CB 3.28Å; D518-R520 WeakPolarHBondContact OD1-CB 3.43Å; D518-R520 WeakPolarHBondContact OD1-CG 3.44Å; D518-R520 IonicContact OD1-CZ 3.19Å; D518-R520 PolarHBondContact OD1-N 2.98Å; D518-R520 IonicContact OD1-NE 3.51Å; D518-R520 PolarHBondContact OD1-NE 3.2Å; D518-R520 IonicContact OD1-NH2 3.01Å; D518-R520 IonicContact OD2-CZ 3.46Å; D518-R520 IonicContact OD2-NE 2.87Å; D518-R520 PolarHBondContact OD2-NE 3.47Å; D518-R520 IonicContact OD2-NH2 2.8Å; D518-R520 PolarHBondContact OD2-NH2 3.35Å; R520-Y697 HydrophobicContact CG-CD1 3.53Å; R520-Y697 HydrophobicContact CG-CE1 4.28Å; R520-Y697 HydrophobicContact CG-CG 4.26Å; R520-L700 HydrophobicContact CB-CB 4.21Å; R520-L700 HydrophobicContact CB-CD1 4.49Å; R520-S724 WeakPolarHBondContact CD-O 3.19Å; R520-S724 PolarHBondContact NH1-OG 3.2Å
521L91.7Very high82.9Confident5 Ų533.6 Ų33.63%0.02616%0.157CC..SBendtrans-81.6156.9174.7-61.1176.6000110.9I501 L504 V510 D518 T523 A526 L700I501-L521 HydrophobicContact CG2-CD1 4.02Å; L504-L521 HydrophobicContact CD1-CD2 4.23Å; V510-L521 HydrophobicContact CG1-CD1 4.32Å; D518-L521 HydrophobicContact CB-CD1 4.42Å; D518-L521 HydrophobicContact CB-CG 4.45Å; D518-L521 WeakPolarHBondContact O-CB 3.41Å; D518-L521 PolarHBondContact O-N 3.23Å; L521-T523 HydrophobicContact CB-CG2 4.33Å; L521-A526 HydrophobicContact CB-CB 3.96Å; L521-A526 WeakPolarHBondContact O-CB 3.33Å; L521-L700 HydrophobicContact CD2-CD2 3.99Å
522F93.3Very high85.1Confident17 Ų1729.6 Ų29.68%0.07513%0.129CC..  trans-104.529.2176.3-71-99.5000112.1H279 I280 L491 T494 L527 P555H279-F522 WeakPolarHBondContact CA-O 3.38Å; H279-F522 WeakPolarHBondContact CB-O 3.47Å; I280-F522 HydrophobicContact CG2-CB 4.34Å; I280-F522 PolarHBondContact N-O 2.69Å; L491-F522 HydrophobicContact CD1-CD1 3.51Å; L491-F522 HydrophobicContact CD1-CE1 3.67Å; L491-F522 HydrophobicContact CD1-CG 4.41Å; T494-F522 HydrophobicContact CG2-CD2 4.41Å; T494-F522 VanDerWaalsContact OG1-CD2 3.22Å; T494-F522 WeakPolarHBondContact OG1-CD2 3.35Å; F522-L527 HydrophobicContact CD1-CD2 4.11Å; F522-P555 HydrophobicContact CE1-CB 4.04Å; F522-P555 HydrophobicContact CE1-CG 4.26Å; F522-P555 HydrophobicContact CZ-CB 3.83Å; F522-P555 HydrophobicContact CZ-CG 3.84Å
523T92.9Very high87.2Confident1 Ų127.1 Ų27.11%0.00612%0.116CC..BIsolated β-bridgetrans-70.2150.3164.769.20000108.7I277 L278 I501 W516 L521 T525 A526 L527I277-T523 HydrophobicContact CG2-CG2 3.51Å; L278-T523 CarbonylContact O-C 3.4Å; L278-T523 VanDerWaalsContact O-CA 3.28Å; L278-T523 WeakPolarHBondContact O-CA 3.46Å; L278-T523 WeakPolarHBondContact O-CB 3.28Å; I501-T523 HydrophobicContact CD1-CG2 3.8Å; W516-T523 PolarHBondContact O-OG1 3.32Å; L521-T523 HydrophobicContact CB-CG2 4.33Å; T523-T525 VanDerWaalsContact C-N 3.28Å; T523-T525 PolarHBondContact O-N 3.06Å; T523-A526 PolarHBondContact O-N 2.84Å; T523-A526 WeakPolarHBondContact OG1-CB 3.18Å; T523-A526 PolarHBondContact OG1-N 3.34Å; T523-A526 VanDerWaalsContact OG1-N 3.1Å; T523-L527 WeakPolarHBondContact O-CG 3.48Å; T523-L527 PolarHBondContact O-N 3.31Å
524L93.8Very high89.4Confident0 Ų027.8 Ų27.80%012%0.12CC..Hα-helixtrans-62.9-39.6-179.6-72.9-175.9000111.7L278 A283 I286 M323 L327 A526 L527 R528 I537L278-L524 HydrophobicContact CB-CB 4.39Å; L278-L524 HydrophobicContact CB-CD1 3.92Å; L278-L524 HydrophobicContact CB-CG 4.23Å; L278-L524 HydrophobicContact CD1-CD1 4.35Å; L278-L524 PolarHBondContact O-N 3.49Å; A283-L524 HydrophobicContact CB-CD2 4.03Å; I286-L524 HydrophobicContact CD1-CD1 4.16Å; M323-L524 HydrophobicContact CB-CB 4.48Å; M323-L524 HydrophobicContact CB-CD1 4.18Å; M323-L524 HydrophobicContact CG-CB 3.87Å; M323-L524 HydrophobicContact CG-CD1 4.44Å; M323-L524 HydrophobicContact SD-CB 3.61Å; L327-L524 HydrophobicContact CD1-CD1 4.24Å; L524-A526 VanDerWaalsContact C-N 3.34Å; L524-A526 PolarHBondContact O-N 3.44Å; L524-L527 PolarHBondContact O-N 3.5Å; L524-R528 PolarHBondContact O-N 3.49Å; L524-I537 HydrophobicContact CD2-CD1 4.41Å
525T91.9Very high91.4Very high37 Ų3720.8 Ų20.823%0.22710%0.098CC..Hα-helixtrans-61.2-41.6174.9-45.40000111.6D517 T523 R528 R529D517-T525 HydrophobicContact CB-CG2 3.8Å; T523-T525 VanDerWaalsContact C-N 3.28Å; T523-T525 PolarHBondContact O-N 3.06Å; T525-R528 PolarHBondContact O-N 3.03Å; T525-R529 PolarHBondContact O-N 3.04Å
526A92.3Very high92.8Very high0 Ų018 Ų180%08%0.084CC..Hα-helixtrans-63.9-43.5174.800000113D517 D518 L521 T523 L524 R528 R529 R530D517-A526 WeakPolarHBondContact O-CA 3.18Å; D518-A526 WeakPolarHBondContact O-CB 3.41Å; L521-A526 HydrophobicContact CB-CB 3.96Å; L521-A526 WeakPolarHBondContact O-CB 3.33Å; T523-A526 PolarHBondContact O-N 2.84Å; T523-A526 WeakPolarHBondContact OG1-CB 3.18Å; T523-A526 PolarHBondContact OG1-N 3.34Å; T523-A526 VanDerWaalsContact OG1-N 3.1Å; L524-A526 VanDerWaalsContact C-N 3.34Å; L524-A526 PolarHBondContact O-N 3.44Å; A526-R528 VanDerWaalsContact C-N 3.31Å; A526-R528 PolarHBondContact O-N 3.16Å; A526-R529 PolarHBondContact O-N 3.47Å; A526-R530 VanDerWaalsContact O-CB 3.29Å; A526-R530 WeakPolarHBondContact O-CB 3.22Å; A526-R530 PolarHBondContact O-N 3.45Å
527L95Very high93.5Very high0 Ų017 Ų170%08%0.08CC..Hα-helixtrans-64.9-37.3177.6-65179.7000111.5I280 F522 T523 L524 R530 G531 F532 I537 L558I280-L527 HydrophobicContact CB-CD1 4.25Å; I280-L527 HydrophobicContact CD1-CD1 3.9Å; I280-L527 HydrophobicContact CG1-CD1 4.43Å; F522-L527 HydrophobicContact CD1-CD2 4.11Å; T523-L527 WeakPolarHBondContact O-CG 3.48Å; T523-L527 PolarHBondContact O-N 3.31Å; L524-L527 PolarHBondContact O-N 3.5Å; L527-R530 PolarHBondContact O-N 3.42Å; L527-G531 PolarHBondContact O-N 3.01Å; L527-F532 HydrophobicContact CB-CB 4.45Å; L527-F532 HydrophobicContact CB-CD2 4.09Å; L527-F532 HydrophobicContact CB-CG 4.37Å; L527-F532 HydrophobicContact CD1-CD2 4.43Å; L527-F532 HydrophobicContact CD2-CD2 3.92Å; L527-F532 HydrophobicContact CD2-CE2 3.74Å; L527-F532 HydrophobicContact CD2-CZ 4.34Å; L527-F532 HydrophobicContact CG-CD2 4.36Å; L527-F532 WeakPolarHBondContact O-CB 3.43Å; L527-F532 PolarHBondContact O-N 2.9Å; L527-I537 HydrophobicContact CB-CD1 4.37Å; L527-I537 HydrophobicContact CD1-CD1 4.32Å; L527-L558 HydrophobicContact CD1-CD2 4.34Å
528R95.5Very high93.7Very high78 Ų7816.7 Ų16.729%0.2948%0.078SC..Hα-helixtrans-61.2-49.2171.6-178.7176.6173.6-173.8-0.3111.1W326 L524 T525 A526 G531 L743W326-R528 HydrophobicContact CD2-CB 4.36Å; W326-R528 HydrophobicContact CD2-CG 4.25Å; W326-R528 HydrophobicContact CH2-CB 3.8Å; W326-R528 HydrophobicContact CH2-CG 4.48Å; W326-R528 HydrophobicContact CZ2-CB 3.67Å; W326-R528 HydrophobicContact CZ2-CG 3.88Å; W326-R528 HydrophobicContact CZ3-CB 4.24Å; L524-R528 PolarHBondContact O-N 3.49Å; T525-R528 PolarHBondContact O-N 3.03Å; A526-R528 VanDerWaalsContact C-N 3.31Å; A526-R528 PolarHBondContact O-N 3.16Å; R528-G531 WeakPolarHBondContact O-CA 3.16Å; R528-G531 PolarHBondContact O-N 3.1Å; R528-L743 HydrophobicContact CG-CD1 4.1Å
529R93.9Very high93.6Very high16 Ų1620.2 Ų20.26%0.0610%0.097CC..Hα-helixtrans-65.1-35.5178-175.1172.6-178.6170.52.4113.3C513 D517 P519 T525 A526 G531 D757 P758 D759 N768C513-R529 PolarHBondContact SG-NH1 3.33Å; D517-R529 WeakPolarHBondContact O-CD 3.46Å; D517-R529 IonicContact OD1-NH1 3.64Å; D517-R529 PolarHBondContact OD1-NH1 3.45Å; D517-R529 VanDerWaalsContact OD2-CD 3.26Å; D517-R529 WeakPolarHBondContact OD2-CD 3.47Å; D517-R529 IonicContact OD2-CZ 2.85Å; D517-R529 IonicContact OD2-NE 3.64Å; D517-R529 IonicContact OD2-NH1 2.73Å; D517-R529 PolarHBondContact OD2-NH1 2.93Å; P519-R529 HydrophobicContact CG-CG 4.28Å; T525-R529 PolarHBondContact O-N 3.04Å; A526-R529 PolarHBondContact O-N 3.47Å; R529-G531 PolarHBondContact O-N 3.22Å; R529-D757 IonicContact CZ-OD1 3.89Å; R529-D757 IonicContact CZ-OD2 3.75Å; R529-D757 IonicContact NE-OD1 2.74Å; R529-D757 IonicContact NE-OD2 3.44Å; R529-D757 PolarHBondContact NE-OD2 3.17Å; R529-D757 IonicContact NH2-OD1 3.24Å; R529-D757 PolarHBondContact NH2-OD1 3.35Å; R529-D757 IonicContact NH2-OD2 3.86Å; R529-D757 PolarHBondContact NH2-OD2 3.46Å; R529-P758 HydrophobicContact CG-CG 4.37Å; R529-D759 IonicContact NH2-OD1 3.94Å; R529-D759 PolarHBondContact NH2-OD1 2.73Å; R529-D759 IonicContact NH2-OD2 3.44Å; R529-D759 PolarHBondContact NH2-OD2 3.11Å; R529-N768 PolarHBondContact O-ND2 2.91Å
530R94.8Very high93.6Very high24 Ų2420.2 Ų20.29%0.09110%0.097CC..Hα-helixtrans-59.4-26.2171.4-175.6173177.7177.6-8.7112P519 A526 L527 F532 E559 T770P519-R530 HydrophobicContact CB-CB 3.73Å; P519-R530 HydrophobicContact CB-CG 4.02Å; P519-R530 HydrophobicContact CG-CB 4.39Å; P519-R530 WeakPolarHBondContact O-CD 3.47Å; A526-R530 VanDerWaalsContact O-CB 3.29Å; A526-R530 WeakPolarHBondContact O-CB 3.22Å; A526-R530 PolarHBondContact O-N 3.45Å; L527-R530 PolarHBondContact O-N 3.42Å; R530-F532 HydrophobicContact CB-CD1 4.48Å; R530-F532 HydrophobicContact CG-CD1 4.19Å; R530-F532 HydrophobicContact CG-CE1 3.93Å; R530-E559 IonicContact CZ-OE1 3.53Å; R530-E559 IonicContact NH1-OE1 3.52Å; R530-E559 IonicContact NH2-OE1 2.69Å; R530-E559 PolarHBondContact NH2-OE1 3.44Å; R530-T770 PolarHBondContact NE-O 3.35Å; R530-T770 PolarHBondContact NH2-O 3.03Å; R530-T770 WeakPolarHBondContact O-CA 3.15Å; R530-T770 WeakPolarHBondContact O-CB 3.39Å; R530-T770 PolarHBondContact O-OG1 3.48Å
531G95.7Very high93.5Very high0 Ų020 Ų200%010%0.097CC..THydrogen-bonded Turntrans10913.8177.800000114.3L527 R528 R529 K745 S755L527-G531 PolarHBondContact O-N 3.01Å; R528-G531 WeakPolarHBondContact O-CA 3.16Å; R528-G531 PolarHBondContact O-N 3.1Å; R529-G531 PolarHBondContact O-N 3.22Å; G531-K745 VanDerWaalsContact C-NZ 3.34Å; G531-K745 WeakPolarHBondContact O-CD 3.08Å; G531-K745 WeakPolarHBondContact O-CE 3.24Å; G531-K745 PolarHBondContact O-NZ 2.91Å; G531-S755 VanDerWaalsContact CA-CB 3.44Å
532F97.3Very high93.1Very high1 Ų120.1 Ų20.10%0.00410%0.1CC..  trans-65.6136.8178.1-7314.4000109.2W326 L527 R530 L558 E559 V562 K745 T770W326-F532 WeakPolarHBondContact CZ2-O 3.28Å; L527-F532 HydrophobicContact CB-CB 4.45Å; L527-F532 HydrophobicContact CB-CD2 4.09Å; L527-F532 HydrophobicContact CB-CG 4.37Å; L527-F532 HydrophobicContact CD1-CD2 4.43Å; L527-F532 HydrophobicContact CD2-CD2 3.92Å; L527-F532 HydrophobicContact CD2-CE2 3.74Å; L527-F532 HydrophobicContact CD2-CZ 4.34Å; L527-F532 HydrophobicContact CG-CD2 4.36Å; L527-F532 WeakPolarHBondContact O-CB 3.43Å; L527-F532 PolarHBondContact O-N 2.9Å; R530-F532 HydrophobicContact CB-CD1 4.48Å; R530-F532 HydrophobicContact CG-CD1 4.19Å; R530-F532 HydrophobicContact CG-CE1 3.93Å; F532-L558 HydrophobicContact CD2-CD1 4.48Å; F532-L558 HydrophobicContact CD2-CD2 4.31Å; F532-L558 HydrophobicContact CD2-CG 4.31Å; F532-L558 HydrophobicContact CE2-CD1 4.4Å; F532-L558 HydrophobicContact CE2-CD2 3.73Å; F532-L558 HydrophobicContact CE2-CG 3.76Å; F532-E559 HydrophobicContact CZ-CG 4.23Å; F532-V562 HydrophobicContact CB-CG2 4.23Å; F532-V562 HydrophobicContact CD1-CG1 3.99Å; F532-V562 HydrophobicContact CD1-CG2 3.88Å; F532-V562 HydrophobicContact CD2-CG2 3.59Å; F532-V562 HydrophobicContact CE1-CG1 4.22Å; F532-V562 HydrophobicContact CE1-CG2 4.07Å; F532-V562 HydrophobicContact CE2-CG2 3.8Å; F532-V562 HydrophobicContact CG-CG1 4.44Å; F532-V562 HydrophobicContact CG-CG2 3.64Å; F532-V562 HydrophobicContact CZ-CG2 4.03Å; F532-K745 PolarHBondContact O-NZ 2.83Å; F532-T770 HydrophobicContact CD1-CG2 3.47Å; F532-T770 VanDerWaalsContact CD1-CG2 3.47Å; F532-T770 HydrophobicContact CE1-CG2 3.71Å
533P96Very high92.6Very high3 Ų325.6 Ų25.62%0.01912%0.12CC..  trans-79.1144170.330.1-29.3000109.8E535 A536 V565 L566P533-E535 WeakPolarHBondContact CB-OE2 3.28Å; P533-E535 PolarHBondContact O-N 3.39Å; P533-A536 HydrophobicContact CG-CB 3.7Å; P533-A536 WeakPolarHBondContact O-CB 3.35Å; P533-A536 PolarHBondContact O-N 3.24Å; P533-A536 VanDerWaalsContact O-N 3.11Å; P533-V565 HydrophobicContact CB-CG1 3.94Å; P533-V565 HydrophobicContact CG-CB 3.92Å; P533-V565 HydrophobicContact CG-CG1 3.56Å; P533-L566 HydrophobicContact CB-CD2 4.47Å; P533-L566 HydrophobicContact CG-CD2 3.88Å; P533-L566 HydrophobicContact CG-CG 4.23Å
534P95.6Very high92Very high25 Ų2526.9 Ų26.916%0.16213%0.127CC..Hα-helixtrans-60.8-34-179.124.5-33000112.5W326 L327 A536 I537 N538W326-P534 HydrophobicContact CD2-CB 4.27Å; W326-P534 HydrophobicContact CZ2-CB 4.31Å; W326-P534 WeakPolarHBondContact O-CB 3.41Å; W326-P534 WeakPolarHBondContact O-CG 3.49Å; L327-P534 HydrophobicContact CD2-CB 4.25Å; P534-A536 VanDerWaalsContact C-N 3.25Å; P534-A536 PolarHBondContact O-N 2.81Å; P534-I537 PolarHBondContact O-N 3.15Å; P534-I537 VanDerWaalsContact O-N 3.13Å; P534-N538 PolarHBondContact O-N 2.9Å
535E93.4Very high91Very high103 Ų10327.5 Ų27.548%0.48113%0.134SC..Hα-helixtrans-59.1-37.4176.6-57.283.4175.100111.4P533 N538 N539 V565P533-E535 WeakPolarHBondContact CB-OE2 3.28Å; P533-E535 PolarHBondContact O-N 3.39Å; E535-N538 PolarHBondContact O-N 2.74Å; E535-N539 VanDerWaalsContact O-CB 3.25Å; E535-N539 WeakPolarHBondContact O-CB 3.44Å; E535-N539 PolarHBondContact O-N 2.84Å; E535-N539 PolarHBondContact O-ND2 2.73Å; E535-N539 PolarHBondContact O-OD1 3.48Å; E535-V565 HydrophobicContact CB-CG1 4.3Å; E535-V565 HydrophobicContact CB-CG2 4.35Å
536A94.5Very high90.1Very high0 Ų028.2 Ų28.20%014%0.138CC..Hα-helixtrans-67.8-37178.200000112.3P533 P534 F540 C561 V562 V565P533-A536 HydrophobicContact CG-CB 3.7Å; P533-A536 WeakPolarHBondContact O-CB 3.35Å; P533-A536 PolarHBondContact O-N 3.24Å; P533-A536 VanDerWaalsContact O-N 3.11Å; P534-A536 VanDerWaalsContact C-N 3.25Å; P534-A536 PolarHBondContact O-N 2.81Å; A536-F540 VanDerWaalsContact O-CB 3.29Å; A536-F540 WeakPolarHBondContact O-CB 3.47Å; A536-F540 PolarHBondContact O-N 2.89Å; A536-C561 HydrophobicContact CB-CB 4.44Å; A536-V562 HydrophobicContact CB-CB 4.25Å; A536-V562 HydrophobicContact CB-CG2 3.73Å; A536-V565 HydrophobicContact CB-CB 4.32Å; A536-V565 HydrophobicContact CB-CG2 3.97Å
537I94.5Very high89Confident0 Ų030.8 Ų30.80%015%0.154CC..Hα-helixtrans-68.9-41.9176.6-64.1-178.2000110.4I280 A283 W326 L327 L524 L527 P534 F540 C541 L558I280-I537 HydrophobicContact CD1-CG2 3.96Å; A283-I537 HydrophobicContact CB-CG2 3.55Å; W326-I537 HydrophobicContact CH2-CD1 3.39Å; W326-I537 HydrophobicContact CZ2-CD1 4.5Å; W326-I537 HydrophobicContact CZ3-CD1 3.67Å; L327-I537 HydrophobicContact CD2-CB 4.08Å; L327-I537 HydrophobicContact CD2-CD1 4.42Å; L327-I537 HydrophobicContact CD2-CG2 3.94Å; L524-I537 HydrophobicContact CD2-CD1 4.41Å; L527-I537 HydrophobicContact CB-CD1 4.37Å; L527-I537 HydrophobicContact CD1-CD1 4.32Å; P534-I537 PolarHBondContact O-N 3.15Å; P534-I537 VanDerWaalsContact O-N 3.13Å; I537-F540 WeakPolarHBondContact O-CB 3.23Å; I537-F540 PolarHBondContact O-N 3.47Å; I537-C541 PolarHBondContact O-N 3.35Å; I537-C541 PolarHBondContact O-SG 3.15Å; I537-L558 HydrophobicContact CG1-CD1 4.44Å
538N91.6Very high87.8Confident26 Ų2634.8 Ų34.814%0.13918%0.178CC..Hα-helixtrans-65.1-43.5176.5-67-11.6000111.2L222 N287 L327 P534 E535 F540 C541 A542L222-N538 HydrophobicContact CD2-CB 4.47Å; N287-N538 PolarHBondContact ND2-OD1 3.4Å; N287-N538 VanDerWaalsContact OD1-CG 3.31Å; N287-N538 PolarHBondContact OD1-OD1 3.33Å; L327-N538 PolarHBondContact O-ND2 2.84Å; P534-N538 PolarHBondContact O-N 2.9Å; E535-N538 PolarHBondContact O-N 2.74Å; N538-F540 VanDerWaalsContact C-N 3.33Å; N538-F540 PolarHBondContact O-N 3.24Å; N538-C541 PolarHBondContact O-N 2.98Å; N538-A542 PolarHBondContact O-N 3.05Å
539N89.4Confident86.7Confident74 Ų7434.3 Ų34.340%0.39619%0.187SC..Hα-helixtrans-62.4-39.3174.4-71.8-16000112E535 A542 R543E535-N539 VanDerWaalsContact O-CB 3.25Å; E535-N539 WeakPolarHBondContact O-CB 3.44Å; E535-N539 PolarHBondContact O-N 2.84Å; E535-N539 PolarHBondContact O-ND2 2.73Å; E535-N539 PolarHBondContact O-OD1 3.48Å; N539-A542 WeakPolarHBondContact O-CB 3.35Å; N539-A542 PolarHBondContact O-N 3.13Å; N539-R543 WeakPolarHBondContact O-CG 3.48Å; N539-R543 PolarHBondContact O-N 3.47Å
540F90.8Very high85.9Confident0 Ų039.1 Ų39.10%021%0.21CC..Hα-helixtrans-61.6-45.5173.6172.9-110.9000111.5I280 L489 L491 A536 I537 N538 A542 R543 V544 T553 L557 L558 C561I280-F540 HydrophobicContact CD1-CD1 4.46Å; I280-F540 HydrophobicContact CG1-CE1 4.32Å; L489-F540 HydrophobicContact CD1-CE1 4.28Å; L489-F540 HydrophobicContact CD1-CZ 4.28Å; L489-F540 HydrophobicContact CD2-CE1 3.83Å; L491-F540 HydrophobicContact CD2-CZ 4.04Å; A536-F540 VanDerWaalsContact O-CB 3.29Å; A536-F540 WeakPolarHBondContact O-CB 3.47Å; A536-F540 PolarHBondContact O-N 2.89Å; I537-F540 WeakPolarHBondContact O-CB 3.23Å; I537-F540 PolarHBondContact O-N 3.47Å; N538-F540 VanDerWaalsContact C-N 3.33Å; N538-F540 PolarHBondContact O-N 3.24Å; F540-A542 VanDerWaalsContact C-N 3.29Å; F540-A542 PolarHBondContact O-N 2.8Å; F540-R543 PolarHBondContact O-N 3.05Å; F540-V544 HydrophobicContact CD2-CG2 4.16Å; F540-V544 HydrophobicContact CE1-CG2 4.21Å; F540-V544 HydrophobicContact CE2-CG2 3.71Å; F540-V544 HydrophobicContact CZ-CG2 3.73Å; F540-V544 WeakPolarHBondContact O-CG2 3.46Å; F540-V544 PolarHBondContact O-N 3.08Å; F540-T553 HydrophobicContact CE2-CG2 4.15Å; F540-T553 HydrophobicContact CZ-CG2 4.2Å; F540-L557 HydrophobicContact CD2-CD2 4.47Å; F540-L557 HydrophobicContact CD2-CG 4.19Å; F540-L557 HydrophobicContact CE2-CB 4.17Å; F540-L557 HydrophobicContact CE2-CD2 3.95Å; F540-L557 HydrophobicContact CE2-CG 3.93Å; F540-L558 HydrophobicContact CB-CD1 3.75Å; F540-L558 HydrophobicContact CD1-CB 4.48Å; F540-L558 HydrophobicContact CD1-CD1 3.84Å; F540-L558 HydrophobicContact CD2-CB 4.01Å; F540-L558 HydrophobicContact CD2-CD1 4.31Å; F540-L558 HydrophobicContact CE1-CB 4.49Å; F540-L558 HydrophobicContact CE2-CB 4.05Å; F540-L558 HydrophobicContact CG-CB 4.23Å; F540-L558 HydrophobicContact CG-CD1 3.71Å; F540-L558 HydrophobicContact CZ-CB 4.31Å; F540-C561 HydrophobicContact CB-CB 4.3Å
541C88.9Confident84.8Confident9 Ų939.8 Ų39.86%0.06122%0.217CC..Hα-helixtrans-61.2-38.3175.3-65.50000111.9N287 I537 N538 G545N287-C541 HydrophobicContact CB-CB 4.18Å; I537-C541 PolarHBondContact O-N 3.35Å; I537-C541 PolarHBondContact O-SG 3.15Å; N538-C541 PolarHBondContact O-N 2.98Å; C541-G545 PolarHBondContact O-N 3.27Å
542A83.4Confident84.2Confident9 Ų943.8 Ų43.87%0.07424%0.241CC..Hα-helixtrans-65.5-39.817500000112.8L222 Q225 N538 N539 F540 G545L222-A542 HydrophobicContact CB-CB 3.83Å; L222-A542 HydrophobicContact CD1-CB 3.69Å; L222-A542 HydrophobicContact CG-CB 4.29Å; Q225-A542 PolarHBondContact NE2-O 2.88Å; Q225-A542 VanDerWaalsContact NE2-O 3.14Å; Q225-A542 PolarHBondContact OE1-O 2.69Å; N538-A542 PolarHBondContact O-N 3.05Å; N539-A542 WeakPolarHBondContact O-CB 3.35Å; N539-A542 PolarHBondContact O-N 3.13Å; F540-A542 VanDerWaalsContact C-N 3.29Å; F540-A542 PolarHBondContact O-N 2.8Å; A542-G545 PolarHBondContact O-N 2.94Å
543R82.5Confident83.6Confident132 Ų13244.7 Ų44.750%0.49825%0.247SC..Hα-helixtrans-69.2-41.5177.7-75.1-175.1-174.2176.72.3112.2N539 F540 G545 C561 D564N539-R543 WeakPolarHBondContact O-CG 3.48Å; N539-R543 PolarHBondContact O-N 3.47Å; F540-R543 PolarHBondContact O-N 3.05Å; R543-G545 VanDerWaalsContact C-N 3.28Å; R543-C561 PolarHBondContact NH1-SG 3.02Å; R543-C561 VanDerWaalsContact NH1-SG 3.43Å; R543-D564 IonicContact CZ-OD2 3.87Å; R543-D564 IonicContact NH1-OD2 2.66Å; R543-D564 PolarHBondContact NH1-OD2 3.18Å; R543-D564 IonicContact NH2-OD2 2.58Å; R543-D564 PolarHBondContact NH2-OD2 3.49Å
544V82.1Confident83.2Confident27 Ų2747.4 Ų47.416%0.16426%0.259CS..Hα-helixtrans-65.9-36.1175173.50000110.8L489 F540L489-V544 HydrophobicContact CD1-CG1 4.36Å; F540-V544 HydrophobicContact CD2-CG2 4.16Å; F540-V544 HydrophobicContact CE1-CG2 4.21Å; F540-V544 HydrophobicContact CE2-CG2 3.71Å; F540-V544 HydrophobicContact CZ-CG2 3.73Å; F540-V544 WeakPolarHBondContact O-CG2 3.46Å; F540-V544 PolarHBondContact O-N 3.08Å
545G72.8Confident82.9Confident14 Ų1446.7 Ų46.714%0.14426%0.255CS..  trans71.3-172.4177.700000114K284 C541 A542 R543K284-G545 WeakPolarHBondContact CE-O 3.05Å; K284-G545 PolarHBondContact NZ-O 3.09Å; C541-G545 PolarHBondContact O-N 3.27Å; A542-G545 PolarHBondContact O-N 2.94Å; R543-G545 VanDerWaalsContact C-N 3.28Å
546V71.3Confident82.6Confident52 Ų5245.1 Ų45.132%0.31525%0.247SC..  trans-111.3103.5-176.3-175.50000108.7L226 L231 F288L226-V546 HydrophobicContact CD2-CG2 4.14Å; L231-V546 HydrophobicContact CD2-CB 4.12Å; L231-V546 HydrophobicContact CD2-CG1 4.33Å; F288-V546 HydrophobicContact CD2-CG1 4.32Å; F288-V546 HydrophobicContact CD2-CG2 3.63Å; F288-V546 HydrophobicContact CE1-CG1 4.26Å; F288-V546 HydrophobicContact CE2-CB 4.13Å; F288-V546 HydrophobicContact CE2-CG1 3.6Å; F288-V546 HydrophobicContact CE2-CG2 3.48Å; F288-V546 VanDerWaalsContact CE2-CG2 3.48Å; F288-V546 HydrophobicContact CZ-CG1 3.55Å; F288-V546 HydrophobicContact CZ-CG2 4.31Å
547T69.3Low82.4Confident54 Ų5447.8 Ų47.833%0.33126%0.261SS..  trans-122.4156173.359.60000109.5G487 S549G487-T547 PolarHBondContact N-O 2.98Å; T547-S549 VanDerWaalsContact C-N 3.33Å; T547-S549 PolarHBondContact OG1-O 3.13Å
548V70.3Confident82.2Confident83 Ų8347.9 Ų47.950%0.50326%0.262SS..SBendtrans-77.8-22.8175.3-174.50000111K460K460-V548 HydrophobicContact CD-CG1 4.25Å; K460-V548 VanDerWaalsContact CD-O 3.27Å; K460-V548 WeakPolarHBondContact CD-O 3.43Å
549S73.3Confident82.3Confident69 Ų6948.7 Ų48.748%0.48327%0.265SS..SBendtrans-74.7138.5178.545.90000112.3G487 T547 T551G487-S549 WeakPolarHBondContact CA-O 3.44Å; T547-S549 VanDerWaalsContact C-N 3.33Å; T547-S549 PolarHBondContact OG1-O 3.13Å; S549-T551 PolarHBondContact O-N 3.2Å; S549-T551 PolarHBondContact O-OG1 3.36Å
550Q75.9Confident82.4Confident116 Ų11646.4 Ų46.454%0.54226%0.255SS..  trans-59.9130.8168-75.4178.6-20.300108.9E461E461-Q550 PolarHBondContact OE1-NE2 3.48Å
551T73Confident82.5Confident38 Ų3846.5 Ų46.523%0.23326%0.255CS..EExtended strand (participates in β ladder)trans-120119.6-176.5-510000108.5R488 N490 S549R488-T551 PolarHBondContact O-N 3.17Å; N490-T551 PolarHBondContact N-O 2.99Å; N490-T551 VanDerWaalsContact N-O 3.15Å; S549-T551 PolarHBondContact O-N 3.2Å; S549-T551 PolarHBondContact O-OG1 3.36Å
552T82.1Confident82.8Confident84 Ų8446 Ų4652%0.51525%0.252SS..EExtended strand (participates in β ladder)trans-99.9124170.5-52.80000107.9N490 T492N490-T552 WeakPolarHBondContact O-CA 3.29Å; T492-T552 HydrophobicContact CG2-CG2 3.43Å; T492-T552 VanDerWaalsContact CG2-CG2 3.43Å
553T86.1Confident83.3Confident20 Ų2047.3 Ų47.312%0.12326%0.255CS..EExtended strand (participates in β ladder)trans-122.8152.8-176.5-53.20000110.3N490 L491 T492 F540 L557N490-T553 PolarHBondContact O-N 3.39Å; L491-T553 VanDerWaalsContact CA-O 3.23Å; L491-T553 WeakPolarHBondContact CA-O 3.32Å; L491-T553 HydrophobicContact CD2-CG2 4.43Å; L491-T553 WeakPolarHBondContact CD2-O 3.38Å; T492-T553 PolarHBondContact N-O 3.21Å; F540-T553 HydrophobicContact CE2-CG2 4.15Å; F540-T553 HydrophobicContact CZ-CG2 4.2Å; T553-L557 HydrophobicContact CG2-CB 4.04Å; T553-L557 HydrophobicContact CG2-CD2 3.7Å; T553-L557 HydrophobicContact CG2-CG 4.46Å
554E86.8Confident83.7Confident60 Ų6044.5 Ų44.528%0.2825%0.25SC..  trans-86.2146.1175.8-61.7-168.2176.200111.5H556 L557 K704E554-H556 WeakPolarHBondContact CB-CD2 3.47Å; E554-H556 PolarHBondContact O-N 2.88Å; E554-H556 VanDerWaalsContact O-N 3.1Å; E554-H556 IonicContact OE2-CD2 3.7Å; E554-H556 PolarHBondContact OE2-CD2 3.4Å; E554-H556 VanDerWaalsContact OE2-CD2 3.31Å; E554-H556 IonicContact OE2-NE2 3.84Å; E554-L557 PolarHBondContact O-N 3.28Å; E554-K704 WeakPolarHBondContact OE1-CE 3.45Å; E554-K704 IonicContact OE1-NZ 3.74Å; E554-K704 PolarHBondContact OE1-NZ 3.39Å
555P90Very high84.3Confident10 Ų1044 Ų447%0.06525%0.247CC..Hα-helixtrans-56.8-26.6-178-29.336.2000115.5T492 F522 L557 L558 E559T492-P555 WeakPolarHBondContact O-CG 3.05Å; F522-P555 HydrophobicContact CE1-CB 4.04Å; F522-P555 HydrophobicContact CE1-CG 4.26Å; F522-P555 HydrophobicContact CZ-CB 3.83Å; F522-P555 HydrophobicContact CZ-CG 3.84Å; P555-L557 PolarHBondContact O-N 3.48Å; P555-L558 WeakPolarHBondContact O-CB 3.26Å; P555-L558 PolarHBondContact O-N 3.43Å; P555-L558 VanDerWaalsContact O-N 3.12Å; P555-E559 PolarHBondContact O-N 3.37Å
556H87.3Confident85.4Confident71 Ų7143.4 Ų43.433%0.32924%0.24SC..Hα-helixtrans-60.8-31.3-177.474.981000112.5E554 E559 S560 E775E554-H556 WeakPolarHBondContact CB-CD2 3.47Å; E554-H556 PolarHBondContact O-N 2.88Å; E554-H556 VanDerWaalsContact O-N 3.1Å; E554-H556 IonicContact OE2-CD2 3.7Å; E554-H556 PolarHBondContact OE2-CD2 3.4Å; E554-H556 VanDerWaalsContact OE2-CD2 3.31Å; E554-H556 IonicContact OE2-NE2 3.84Å; H556-E559 PolarHBondContact O-N 2.92Å; H556-S560 WeakPolarHBondContact O-CB 3.45Å; H556-S560 PolarHBondContact O-N 3.3Å; H556-E775 IonicContact ND1-OE1 2.69Å
557L88.6Confident86.4Confident56 Ų5644.2 Ų44.229%0.29324%0.243SC..Hα-helixtrans-67-39.9178.2-177.661.6000111.4F540 T553 E554 P555 S560 C561F540-L557 HydrophobicContact CD2-CD2 4.47Å; F540-L557 HydrophobicContact CD2-CG 4.19Å; F540-L557 HydrophobicContact CE2-CB 4.17Å; F540-L557 HydrophobicContact CE2-CD2 3.95Å; F540-L557 HydrophobicContact CE2-CG 3.93Å; T553-L557 HydrophobicContact CG2-CB 4.04Å; T553-L557 HydrophobicContact CG2-CD2 3.7Å; T553-L557 HydrophobicContact CG2-CG 4.46Å; E554-L557 PolarHBondContact O-N 3.28Å; P555-L557 PolarHBondContact O-N 3.48Å; L557-S560 WeakPolarHBondContact O-CB 3.33Å; L557-S560 PolarHBondContact O-N 3.25Å; L557-C561 PolarHBondContact O-N 3.15Å; L557-C561 PolarHBondContact O-SG 3.23Å
558L92.1Very high87.5Confident1 Ų146 Ų461%0.00525%0.251CS..Hα-helixtrans-65.2-46.5173.9172.561000110.3I280 L491 L527 F532 I537 F540 P555 S560 C561 V562I280-L558 HydrophobicContact CD1-CD2 4.11Å; I280-L558 HydrophobicContact CG1-CD2 4.29Å; L491-L558 HydrophobicContact CD1-CD2 4.23Å; L527-L558 HydrophobicContact CD1-CD2 4.34Å; F532-L558 HydrophobicContact CD2-CD1 4.48Å; F532-L558 HydrophobicContact CD2-CD2 4.31Å; F532-L558 HydrophobicContact CD2-CG 4.31Å; F532-L558 HydrophobicContact CE2-CD1 4.4Å; F532-L558 HydrophobicContact CE2-CD2 3.73Å; F532-L558 HydrophobicContact CE2-CG 3.76Å; I537-L558 HydrophobicContact CG1-CD1 4.44Å; F540-L558 HydrophobicContact CB-CD1 3.75Å; F540-L558 HydrophobicContact CD1-CB 4.48Å; F540-L558 HydrophobicContact CD1-CD1 3.84Å; F540-L558 HydrophobicContact CD2-CB 4.01Å; F540-L558 HydrophobicContact CD2-CD1 4.31Å; F540-L558 HydrophobicContact CE1-CB 4.49Å; F540-L558 HydrophobicContact CE2-CB 4.05Å; F540-L558 HydrophobicContact CG-CB 4.23Å; F540-L558 HydrophobicContact CG-CD1 3.71Å; F540-L558 HydrophobicContact CZ-CB 4.31Å; P555-L558 WeakPolarHBondContact O-CB 3.26Å; P555-L558 PolarHBondContact O-N 3.43Å; P555-L558 VanDerWaalsContact O-N 3.12Å; L558-S560 PolarHBondContact O-N 3.21Å; L558-C561 WeakPolarHBondContact O-CB 3.03Å; L558-C561 PolarHBondContact O-N 3.05Å; L558-C561 VanDerWaalsContact O-N 3.11Å; L558-V562 WeakPolarHBondContact O-CG2 3.31Å; L558-V562 PolarHBondContact O-N 3.2Å
559E93Very high88.6Confident44 Ų4445.8 Ų45.821%0.20625%0.249CC..Hα-helixtrans-60.9-31.3176.7-72.9177.5169.100113R530 F532 P555 H556 V562 R563 V771R530-E559 IonicContact CZ-OE1 3.53Å; R530-E559 IonicContact NH1-OE1 3.52Å; R530-E559 IonicContact NH2-OE1 2.69Å; R530-E559 PolarHBondContact NH2-OE1 3.44Å; F532-E559 HydrophobicContact CZ-CG 4.23Å; P555-E559 PolarHBondContact O-N 3.37Å; H556-E559 PolarHBondContact O-N 2.92Å; E559-V562 WeakPolarHBondContact O-CB 3.46Å; E559-V562 PolarHBondContact O-N 3.36Å; E559-R563 WeakPolarHBondContact O-CG 3.34Å; E559-R563 PolarHBondContact O-N 3.25Å; E559-V771 HydrophobicContact CB-CG2 3.81Å; E559-V771 HydrophobicContact CG-CG2 4.16Å
560S91.5Very high89.6Confident26 Ų2642.6 Ų42.618%0.18223%0.227CC..Hα-helixtrans-64.5-46.1172.5-165.40000111.9H556 L557 L558 V562 R563 D564H556-S560 WeakPolarHBondContact O-CB 3.45Å; H556-S560 PolarHBondContact O-N 3.3Å; L557-S560 WeakPolarHBondContact O-CB 3.33Å; L557-S560 PolarHBondContact O-N 3.25Å; L558-S560 PolarHBondContact O-N 3.21Å; S560-V562 PolarHBondContact O-N 3.08Å; S560-R563 VanDerWaalsContact CA-CZ 3.46Å; S560-R563 WeakPolarHBondContact O-CB 3.48Å; S560-R563 PolarHBondContact O-N 3.45Å; S560-R563 VanDerWaalsContact O-N 3.16Å; S560-R563 PolarHBondContact OG-NH1 3.14Å; S560-D564 VanDerWaalsContact O-CG 3.3Å; S560-D564 PolarHBondContact O-N 3.5Å
561C92.2Very high90.5Very high1 Ų138.7 Ų38.71%0.00721%0.212CC..Hα-helixtrans-61.4-35.6174.8-56.60000111.8A536 F540 R543 L557 L558 V565A536-C561 HydrophobicContact CB-CB 4.44Å; F540-C561 HydrophobicContact CB-CB 4.3Å; R543-C561 PolarHBondContact NH1-SG 3.02Å; R543-C561 VanDerWaalsContact NH1-SG 3.43Å; L557-C561 PolarHBondContact O-N 3.15Å; L557-C561 PolarHBondContact O-SG 3.23Å; L558-C561 WeakPolarHBondContact O-CB 3.03Å; L558-C561 PolarHBondContact O-N 3.05Å; L558-C561 VanDerWaalsContact O-N 3.11Å; C561-V565 WeakPolarHBondContact O-CG2 3.27Å; C561-V565 PolarHBondContact O-N 2.95Å
562V95.5Very high91.5Very high0 Ų038.9 Ų38.90%021%0.208CC..Hα-helixtrans-65.6-45.2175.1174.80000111F532 A536 L558 E559 S560 D564 V565 L566 T770 V771F532-V562 HydrophobicContact CB-CG2 4.23Å; F532-V562 HydrophobicContact CD1-CG1 3.99Å; F532-V562 HydrophobicContact CD1-CG2 3.88Å; F532-V562 HydrophobicContact CD2-CG2 3.59Å; F532-V562 HydrophobicContact CE1-CG1 4.22Å; F532-V562 HydrophobicContact CE1-CG2 4.07Å; F532-V562 HydrophobicContact CE2-CG2 3.8Å; F532-V562 HydrophobicContact CG-CG1 4.44Å; F532-V562 HydrophobicContact CG-CG2 3.64Å; F532-V562 HydrophobicContact CZ-CG2 4.03Å; A536-V562 HydrophobicContact CB-CB 4.25Å; A536-V562 HydrophobicContact CB-CG2 3.73Å; L558-V562 WeakPolarHBondContact O-CG2 3.31Å; L558-V562 PolarHBondContact O-N 3.2Å; E559-V562 WeakPolarHBondContact O-CB 3.46Å; E559-V562 PolarHBondContact O-N 3.36Å; S560-V562 PolarHBondContact O-N 3.08Å; V562-D564 VanDerWaalsContact C-N 3.33Å; V562-D564 PolarHBondContact O-N 2.88Å; V562-V565 PolarHBondContact O-N 3.12Å; V562-L566 HydrophobicContact CG1-CD1 3.53Å; V562-L566 HydrophobicContact CG1-CG 4.07Å; V562-L566 WeakPolarHBondContact O-CB 3.44Å; V562-L566 VanDerWaalsContact O-CG 3.26Å; V562-L566 WeakPolarHBondContact O-CG 3.32Å; V562-L566 PolarHBondContact O-N 3.45Å; V562-T770 HydrophobicContact CG1-CG2 4.02Å; V562-V771 HydrophobicContact CG1-CG1 4.02Å
563R94.3Very high92.2Very high35 Ų3534.9 Ų34.913%0.13218%0.184CC..Hα-helixtrans-58.6-44.4176.2-79.3180-93.5120.5-9.8112.2E559 S560 V565 L566 N567 Y753 V771 T772 E775E559-R563 WeakPolarHBondContact O-CG 3.34Å; E559-R563 PolarHBondContact O-N 3.25Å; S560-R563 VanDerWaalsContact CA-CZ 3.46Å; S560-R563 WeakPolarHBondContact O-CB 3.48Å; S560-R563 PolarHBondContact O-N 3.45Å; S560-R563 VanDerWaalsContact O-N 3.16Å; S560-R563 PolarHBondContact OG-NH1 3.14Å; R563-V565 PolarHBondContact O-N 2.55Å; R563-L566 PolarHBondContact O-N 3.11Å; R563-N567 VanDerWaalsContact O-CB 3.3Å; R563-N567 WeakPolarHBondContact O-CB 3.46Å; R563-N567 PolarHBondContact O-N 3.38Å; R563-Y753 HydrophobicContact CG-CD2 4.48Å; R563-Y753 HydrophobicContact CG-CE2 4.18Å; R563-V771 HydrophobicContact CG-CG1 3.73Å; R563-V771 HydrophobicContact CG-CG2 4.01Å; R563-T772 WeakPolarHBondContact CD-O 3.49Å; R563-E775 IonicContact CZ-OE1 3.31Å; R563-E775 IonicContact NH2-OE1 2.79Å; R563-E775 PolarHBondContact NH2-OE1 3.49Å
564D91.6Very high92.6Very high73 Ų7333.9 Ų33.939%0.3918%0.178SC..Hα-helixtrans-58.9-47.4-179.6-65.4-17.9000110.8R543 S560 V562R543-D564 IonicContact CZ-OD2 3.87Å; R543-D564 IonicContact NH1-OD2 2.66Å; R543-D564 PolarHBondContact NH1-OD2 3.18Å; R543-D564 IonicContact NH2-OD2 2.58Å; R543-D564 PolarHBondContact NH2-OD2 3.49Å; S560-D564 VanDerWaalsContact O-CG 3.3Å; S560-D564 PolarHBondContact O-N 3.5Å; V562-D564 VanDerWaalsContact C-N 3.33Å; V562-D564 PolarHBondContact O-N 2.88Å
565V94.7Very high93.1Very high17 Ų1731.1 Ų31.110%0.10317%0.165CC..Hα-helixtrans-69.4-45.2179.5176.40000111.9P533 E535 A536 C561 V562 R563 N567 D568 T569P533-V565 HydrophobicContact CB-CG1 3.94Å; P533-V565 HydrophobicContact CG-CB 3.92Å; P533-V565 HydrophobicContact CG-CG1 3.56Å; E535-V565 HydrophobicContact CB-CG1 4.3Å; E535-V565 HydrophobicContact CB-CG2 4.35Å; A536-V565 HydrophobicContact CB-CB 4.32Å; A536-V565 HydrophobicContact CB-CG2 3.97Å; C561-V565 WeakPolarHBondContact O-CG2 3.27Å; C561-V565 PolarHBondContact O-N 2.95Å; V562-V565 PolarHBondContact O-N 3.12Å; R563-V565 PolarHBondContact O-N 2.55Å; V565-N567 VanDerWaalsContact C-N 3.3Å; V565-N567 PolarHBondContact O-N 3.46Å; V565-D568 PolarHBondContact O-N 3.48Å; V565-T569 HydrophobicContact CG1-CG2 4.23Å; V565-T569 WeakPolarHBondContact O-CB 3.21Å; V565-T569 WeakPolarHBondContact O-CG2 3.34Å; V565-T569 PolarHBondContact O-N 3.3Å; V565-T569 PolarHBondContact O-OG1 3.32Å
566L95.3Very high93.3Very high1 Ų130.6 Ų30.61%0.00516%0.162CC..Hα-helixtrans-69-28.7-176.7-65.3-179.3000112.8P533 V562 R563 D568 T569 A570 K745 Y753 T770P533-L566 HydrophobicContact CB-CD2 4.47Å; P533-L566 HydrophobicContact CG-CD2 3.88Å; P533-L566 HydrophobicContact CG-CG 4.23Å; V562-L566 HydrophobicContact CG1-CD1 3.53Å; V562-L566 HydrophobicContact CG1-CG 4.07Å; V562-L566 WeakPolarHBondContact O-CB 3.44Å; V562-L566 VanDerWaalsContact O-CG 3.26Å; V562-L566 WeakPolarHBondContact O-CG 3.32Å; V562-L566 PolarHBondContact O-N 3.45Å; R563-L566 PolarHBondContact O-N 3.11Å; L566-D568 PolarHBondContact O-N 2.79Å; L566-T569 PolarHBondContact O-N 3.05Å; L566-A570 HydrophobicContact CB-CB 4.25Å; L566-A570 HydrophobicContact CD2-CB 4.37Å; L566-A570 WeakPolarHBondContact O-CB 3.15Å; L566-A570 PolarHBondContact O-N 3.23Å; L566-K745 HydrophobicContact CD2-CB 4.16Å; L566-K745 HydrophobicContact CD2-CD 3.4Å; L566-K745 HydrophobicContact CD2-CG 4.38Å; L566-Y753 HydrophobicContact CB-CD1 3.52Å; L566-Y753 HydrophobicContact CB-CE1 3.64Å; L566-Y753 HydrophobicContact CB-CG 4.02Å; L566-Y753 HydrophobicContact CD1-CD1 4.1Å; L566-Y753 HydrophobicContact CD1-CG 3.88Å; L566-Y753 HydrophobicContact CG-CD1 4.43Å; L566-T770 HydrophobicContact CD1-CG2 4.07Å
567N92.8Very high93.7Very high69 Ų6928 Ų2837%0.36915%0.15SC..Hα-helixtrans-60.1-31.3175.5-176.574.9000112.7R563 V565 Y753R563-N567 VanDerWaalsContact O-CB 3.3Å; R563-N567 WeakPolarHBondContact O-CB 3.46Å; R563-N567 PolarHBondContact O-N 3.38Å; V565-N567 VanDerWaalsContact C-N 3.3Å; V565-N567 PolarHBondContact O-N 3.46Å; N567-Y753 WeakPolarHBondContact CA-OH 3.28Å; N567-Y753 WeakPolarHBondContact CB-OH 3.4Å
568D91.4Very high94Very high93 Ų9330 Ų3050%0.49716%0.158SC..Hα-helixtrans-98.9-18.1-175.7-64.8-11.9000113.5V565 L566 F600 K606V565-D568 PolarHBondContact O-N 3.48Å; L566-D568 PolarHBondContact O-N 2.79Å; D568-F600 WeakPolarHBondContact O-CE1 3.27Å; D568-K606 PolarHBondContact O-NZ 3.38Å
569T93.2Very high94.1Very high77 Ų7731.8 Ų31.847%0.47217%0.17SC..Hα-helixtrans-116.5-29.5-171.458.10000114.6V565 L566 P571 F600V565-T569 HydrophobicContact CG1-CG2 4.23Å; V565-T569 WeakPolarHBondContact O-CB 3.21Å; V565-T569 WeakPolarHBondContact O-CG2 3.34Å; V565-T569 PolarHBondContact O-N 3.3Å; V565-T569 PolarHBondContact O-OG1 3.32Å; L566-T569 PolarHBondContact O-N 3.05Å; T569-P571 WeakPolarHBondContact O-CD 3.46Å; T569-F600 WeakPolarHBondContact O-CZ 3.47Å
570A94.9Very high94.2Very high2 Ų229.7 Ų29.72%0.01716%0.16CC..SBendtrans-87.4119.9-178.200000111L566 F600 K745 Y753L566-A570 HydrophobicContact CB-CB 4.25Å; L566-A570 HydrophobicContact CD2-CB 4.37Å; L566-A570 WeakPolarHBondContact O-CB 3.15Å; L566-A570 PolarHBondContact O-N 3.23Å; A570-F600 WeakPolarHBondContact O-CE1 3.22Å; A570-K745 HydrophobicContact CB-CB 4.25Å; A570-Y753 HydrophobicContact CB-CD1 4.31Å
571P95Very high94.4Very high35 Ų3532 Ų3223%0.22717%0.166CC..PPolyproline II helixtrans-63149.7173.626.5-36.4000111.4T569 D599 F600 K745 F746 Q747T569-P571 WeakPolarHBondContact O-CD 3.46Å; P571-D599 HydrophobicContact CB-CB 4Å; P571-F600 HydrophobicContact CB-CE2 4.37Å; P571-F600 HydrophobicContact CB-CZ 4.26Å; P571-K745 WeakPolarHBondContact CD-O 3.39Å; P571-F746 HydrophobicContact CG-CD1 3.8Å; P571-F746 HydrophobicContact CG-CE1 3.87Å; P571-F746 WeakPolarHBondContact O-CA 3.39Å; P571-Q747 PolarHBondContact O-N 3.26Å
572R94.2Very high94.6Very high41 Ų4131.9 Ų31.916%0.15517%0.166CC..EExtended strand (participates in β ladder)trans-81.5139.9175.4-69.2-176.5-175.9-165.14.7111.2D599 P601 H609 Q747 E749R572-D599 WeakPolarHBondContact CB-O 3.36Å; R572-D599 WeakPolarHBondContact CG-O 3.36Å; R572-D599 PolarHBondContact N-O 2.95Å; R572-P601 VanDerWaalsContact NE-CD 3.29Å; R572-P601 VanDerWaalsContact NE-CG 3.35Å; R572-H609 PolarHBondContact O-CE1 3.22Å; R572-Q747 WeakPolarHBondContact CA-O 3.37Å; R572-Q747 HydrophobicContact CG-CB 4.07Å; R572-Q747 HydrophobicContact CG-CG 4.4Å; R572-E749 HydrophobicContact CB-CG 4.2Å
573A95.1Very high94.5Very high0 Ų033.4 Ų33.40%018%0.175CC..EExtended strand (participates in β ladder)trans-137.2152.4169.100000109.1D734 V737 F746 Q747 F748 E749A573-D734 WeakPolarHBondContact CA-OD2 3.49Å; A573-V737 HydrophobicContact CB-CG1 4.05Å; A573-F746 HydrophobicContact CB-CD1 4.41Å; A573-Q747 PolarHBondContact N-O 2.68Å; A573-F748 HydrophobicContact CB-CD1 4.29Å; A573-F748 HydrophobicContact CB-CE1 4.4Å; A573-F748 WeakPolarHBondContact O-CA 3.47Å; A573-E749 PolarHBondContact O-N 2.95Å
574M95.6Very high94.5Very high0 Ų031.9 Ų31.90%017%0.17CC..  trans-89.9127.1171.5-64.3-172.6-66.600109.4V597 V611 H684 W685 V686 D734M574-V597 HydrophobicContact CE-CG2 4.27Å; M574-V611 HydrophobicContact CE-CB 4.25Å; M574-V611 HydrophobicContact CE-CG1 4Å; M574-V611 HydrophobicContact CE-CG2 4.11Å; M574-H684 HydrophobicContact CG-CB 4.28Å; M574-H684 HydrophobicContact SD-CB 4.43Å; M574-W685 WeakPolarHBondContact CB-O 3.42Å; M574-W685 HydrophobicContact CE-CD2 4.39Å; M574-W685 HydrophobicContact CE-CH2 4.36Å; M574-W685 HydrophobicContact CE-CZ2 4.01Å; M574-W685 WeakPolarHBondContact CE-O 3.43Å; M574-V686 HydrophobicContact CB-CG1 3.97Å; M574-V686 VanDerWaalsContact O-CG1 3.28Å; M574-V686 WeakPolarHBondContact O-CG1 3.42Å; M574-D734 PolarHBondContact N-OD2 3.36Å; M574-D734 PolarHBondContact O-N 3.15Å
575A96Very high94.5Very high1 Ų131.5 Ų31.51%0.00817%0.17CC..EExtended strand (participates in β ladder)trans-141.5143.717500000109.9H684 L732 V733 F748A575-H684 PolarHBondContact O-CD2 2.85Å; A575-H684 PolarHBondContact O-NE2 2.89Å; A575-L732 CarbonylContact C-O 3.55Å; A575-L732 VanDerWaalsContact CA-O 3.26Å; A575-L732 WeakPolarHBondContact CA-O 3.35Å; A575-V733 HydrophobicContact CB-CB 4.15Å; A575-V733 HydrophobicContact CB-CG2 4.01Å; A575-F748 HydrophobicContact CB-CB 4.15Å; A575-F748 HydrophobicContact CB-CD1 3.89Å; A575-F748 HydrophobicContact CB-CD2 3.44Å; A575-F748 VanDerWaalsContact CB-CD2 3.44Å; A575-F748 HydrophobicContact CB-CE1 4.11Å; A575-F748 HydrophobicContact CB-CE2 3.69Å; A575-F748 HydrophobicContact CB-CG 3.57Å; A575-F748 HydrophobicContact CB-CZ 4.01Å
576V96.1Very high94.3Very high0 Ų034.5 Ų34.50%019%0.186CC..EExtended strand (participates in β ladder)trans-119.9116.7-179.91780000108.3P579 I619 E620 V686 A731 L732V576-P579 HydrophobicContact CG1-CB 4.04Å; V576-I619 VanDerWaalsContact CG1-C 3.43Å; V576-I619 VanDerWaalsContact CG1-O 3.29Å; V576-I619 WeakPolarHBondContact CG1-O 3.29Å; V576-E620 VanDerWaalsContact CA-OE1 3.3Å; V576-E620 WeakPolarHBondContact CA-OE1 3.33Å; V576-E620 HydrophobicContact CG1-CG 4.18Å; V576-V686 HydrophobicContact CB-CG2 4.34Å; V576-V686 HydrophobicContact CG2-CG1 4.32Å; V576-V686 HydrophobicContact CG2-CG2 3.91Å; V576-A731 WeakPolarHBondContact O-CA 3.28Å; V576-L732 PolarHBondContact N-O 3.39Å; V576-L732 PolarHBondContact O-N 3Å
577L94.9Very high93.8Very high15 Ų1536 Ų368%0.07919%0.194CC..SBendtrans-78.8-46.3-176.9-58.5-168.4000111.7P579 E620 V694 L696 I728 A731 V751L577-P579 VanDerWaalsContact O-CD 3.3Å; L577-P579 WeakPolarHBondContact O-CD 3.44Å; L577-E620 PolarHBondContact N-OE1 2.87Å; L577-E620 PolarHBondContact N-OE2 2.81Å; L577-V694 HydrophobicContact CD2-CB 3.99Å; L577-V694 HydrophobicContact CD2-CG1 3.8Å; L577-V694 HydrophobicContact CD2-CG2 3.75Å; L577-L696 HydrophobicContact CD1-CD1 4.24Å; L577-L696 HydrophobicContact CD1-CD2 4.03Å; L577-I728 HydrophobicContact CB-CD1 4Å; L577-I728 HydrophobicContact CD1-CD1 4.25Å; L577-I728 VanDerWaalsContact O-CG2 3.24Å; L577-I728 WeakPolarHBondContact O-CG2 3.46Å; L577-A731 HydrophobicContact CD2-CB 4.22Å; L577-V751 HydrophobicContact CD1-CG1 3.76Å; L577-V751 HydrophobicContact CG-CG1 4.24Å
578E93.8Very high93.2Very high98 Ų9837 Ų3746%0.45820%0.204SC..SBendtrans-112.888.7177.2-66.8-175.6174.800109.1L580 E620 Q621E578-L580 PolarHBondContact O-N 3.31Å; E578-E620 PolarHBondContact N-OE2 2.93Å; E578-E620 CarbonylContact O-C 3.59Å; E578-Q621 HydrophobicContact CB-CB 3.93Å; E578-Q621 PolarHBondContact O-N 2.91Å
579P94.9Very high92.4Very high39 Ų3941.5 Ų41.525%0.25322%0.219SC..EExtended strand (participates in β ladder)trans-73.3124.5-16929.5-36.7000113.2V576 L577 F618 S730 L732V576-P579 HydrophobicContact CG1-CB 4.04Å; L577-P579 VanDerWaalsContact O-CD 3.3Å; L577-P579 WeakPolarHBondContact O-CD 3.44Å; P579-F618 HydrophobicContact CB-CB 4.4Å; P579-F618 HydrophobicContact CB-CD1 4.18Å; P579-S730 WeakPolarHBondContact CG-O 3.23Å; P579-L732 HydrophobicContact CB-CD1 3.42Å; P579-L732 VanDerWaalsContact CB-CD1 3.42Å; P579-L732 HydrophobicContact CB-CG 3.95Å; P579-L732 HydrophobicContact CG-CD1 3.96Å; P579-L732 HydrophobicContact CG-CG 4.1Å
580L94.8Very high91.6Very high0 Ų045.1 Ų45.10%024%0.235CC..EExtended strand (participates in β ladder)trans-105.4121.9165.817857.8000109.3E578 F618 I619 F624 V663 L666E578-L580 PolarHBondContact O-N 3.31Å; L580-F618 WeakPolarHBondContact O-CA 3.44Å; L580-I619 HydrophobicContact CB-CG1 4.23Å; L580-I619 PolarHBondContact N-O 2.86Å; L580-I619 PolarHBondContact O-N 2.96Å; L580-F624 HydrophobicContact CD2-CB 3.77Å; L580-F624 HydrophobicContact CD2-CD1 4.28Å; L580-F624 HydrophobicContact CD2-CG 4.27Å; L580-V663 HydrophobicContact CD1-CG1 4.04Å; L580-V663 HydrophobicContact CD2-CG1 4.49Å; L580-L666 HydrophobicContact CD2-CD1 3.63Å; L580-L666 HydrophobicContact CD2-CG 3.95Å; L580-L666 HydrophobicContact CG-CD1 4.36Å; L580-L666 HydrophobicContact CG-CG 4.34Å
581K96.1Very high90.7Very high74 Ų7446.3 Ų46.332%0.32224%0.242SC..EExtended strand (participates in β ladder)trans-72.6133.8179.7-174.5-176.5168.4-149.10110.6T616 F618 E665 L666K581-T616 HydrophobicContact CG-CG2 4.2Å; K581-F618 HydrophobicContact CB-CD1 4.11Å; K581-F618 HydrophobicContact CB-CE1 3.86Å; K581-F618 HydrophobicContact CG-CD1 4.48Å; K581-F618 HydrophobicContact CG-CE1 3.96Å; K581-F618 HydrophobicContact CG-CZ 4.44Å; K581-E665 HydrophobicContact CB-CG 4.44Å; K581-E665 HydrophobicContact CD-CG 4.28Å; K581-E665 WeakPolarHBondContact CE-OE1 3.34Å; K581-E665 HydrophobicContact CG-CG 4.32Å; K581-E665 IonicContact NZ-OE1 3.05Å; K581-E665 PolarHBondContact NZ-OE1 3.39Å; K581-E665 IonicContact NZ-OE2 2.82Å; K581-E665 PolarHBondContact NZ-OE2 3.04Å; K581-E665 CarbonylContact O-C 3.54Å; K581-E665 VanDerWaalsContact O-CA 3.32Å; K581-E665 WeakPolarHBondContact O-CA 3.48Å; K581-L666 PolarHBondContact O-N 2.91Å
582V95.7Very high90Very high0 Ų052.3 Ų52.30%027%0.265CS..EExtended strand (participates in β ladder)trans-127.8126.7177.7-178.70000109.5T616 V617 I619 I650 L666 V668V582-T616 WeakPolarHBondContact O-CA 3.39Å; V582-V617 WeakPolarHBondContact CA-O 3.42Å; V582-V617 HydrophobicContact CB-CG2 3.84Å; V582-V617 WeakPolarHBondContact CB-O 3.45Å; V582-V617 HydrophobicContact CG1-CG2 4.15Å; V582-V617 PolarHBondContact N-O 2.9Å; V582-V617 PolarHBondContact O-N 2.88Å; V582-V617 VanDerWaalsContact O-O 3.1Å; V582-I619 HydrophobicContact CG2-CD1 3.76Å; V582-I619 HydrophobicContact CG2-CG1 3.7Å; V582-I619 HydrophobicContact CG2-CG2 4.33Å; V582-I650 HydrophobicContact CG1-CD1 4.45Å; V582-L666 CarbonylContact C-O 3.59Å; V582-L666 WeakPolarHBondContact CA-O 3.43Å; V582-L666 HydrophobicContact CG2-CB 4.3Å; V582-L666 HydrophobicContact CG2-CD1 4.38Å; V582-V668 HydrophobicContact CG1-CB 4.22Å; V582-V668 HydrophobicContact CG1-CG1 3.7Å; V582-V668 HydrophobicContact CG1-CG2 3.41Å; V582-V668 VanDerWaalsContact CG1-CG2 3.41Å
583T94.7Very high89.7Confident31 Ų3154 Ų5419%0.1928%0.276CS..EExtended strand (participates in β ladder)trans-113118.3178.8-63.10000109.7C615 E665 L666 E667 V668T583-C615 WeakPolarHBondContact CA-O 3.33Å; T583-E665 PolarHBondContact OG1-OE1 3.27Å; T583-L666 PolarHBondContact N-O 3.39Å; T583-E667 WeakPolarHBondContact O-CA 3.26Å; T583-V668 PolarHBondContact O-N 3.08Å
584I93.6Very high89.4Confident3 Ų360.2 Ų60.22%0.01531%0.309CS..EExtended strand (participates in β ladder)trans-86.3113.5179.3-53.9174.2000108.9N586 L587 F613 C615 V668 C670I584-N586 VanDerWaalsContact CG2-OD1 3.3Å; I584-N586 WeakPolarHBondContact CG2-OD1 3.16Å; I584-L587 HydrophobicContact CB-CD1 4.35Å; I584-L587 HydrophobicContact CD1-CD1 4.13Å; I584-L587 HydrophobicContact CG2-CB 4.32Å; I584-L587 HydrophobicContact CG2-CD1 3.85Å; I584-L587 HydrophobicContact CG2-CG 3.9Å; I584-F613 HydrophobicContact CD1-CE1 4.4Å; I584-F613 HydrophobicContact CD1-CE2 4.33Å; I584-F613 HydrophobicContact CD1-CZ 3.65Å; I584-C615 PolarHBondContact N-O 2.59Å; I584-V668 CarbonylContact C-O 2.98Å; I584-V668 WeakPolarHBondContact CA-O 3.38Å; I584-V668 HydrophobicContact CB-CG2 4.37Å; I584-V668 HydrophobicContact CG1-CG2 3.8Å; I584-C670 HydrophobicContact CG2-CB 3.89Å
585T92.1Very high89.2Confident65 Ų6560.9 Ų60.940%0.39931%0.313SS..THydrogen-bonded Turntrans-82.6-24.9-169.556.70000114.1Q653 E667 V668T585-Q653 PolarHBondContact OG1-OE1 3.16Å; T585-E667 HydrophobicContact CG2-CB 4.01Å; T585-E667 HydrophobicContact CG2-CG 4.46Å; T585-V668 PolarHBondContact N-O 2.95Å; T585-V668 PolarHBondContact OG1-O 3.04Å
586N89.6Confident89Confident81 Ų8169.6 Ų69.643%0.43335%0.345SS..THydrogen-bonded Turntrans-95.56.3-175.368.9-45000114.8I584 T669 C670I584-N586 VanDerWaalsContact CG2-OD1 3.3Å; I584-N586 WeakPolarHBondContact CG2-OD1 3.16Å; N586-T669 HydrophobicContact CB-CG2 4.23Å; N586-T669 WeakPolarHBondContact OD1-CA 3.23Å; N586-C670 PolarHBondContact ND2-O 3.38Å; N586-C670 PolarHBondContact OD1-N 2.7Å; N586-C670 PolarHBondContact OD1-SG 2.76Å
587L84.8Confident88.9Confident33 Ų3369.6 Ų69.617%0.17335%0.345CS..SBendtrans-102.8142.4170.5-69.6175.7000110.6I584 F613I584-L587 HydrophobicContact CB-CD1 4.35Å; I584-L587 HydrophobicContact CD1-CD1 4.13Å; I584-L587 HydrophobicContact CG2-CB 4.32Å; I584-L587 HydrophobicContact CG2-CD1 3.85Å; I584-L587 HydrophobicContact CG2-CG 3.9Å; L587-F613 HydrophobicContact CD1-CE1 3.87Å; L587-F613 HydrophobicContact CD1-CZ 4.46Å
588P81.1Confident88.7Confident90 Ų9069.9 Ų69.958%0.58435%0.348SS*.  trans-56.5141.2171.4-22.130.1000111.7D590 T591P588-D590 PolarHBondContact O-N 3.43Å; P588-D590 VanDerWaalsContact O-N 3.13Å; P588-T591 VanDerWaalsContact CD-OG1 3.3Å; P588-T591 WeakPolarHBondContact CD-OG1 3.34Å; P588-T591 VanDerWaalsContact O-CB 3.27Å; P588-T591 WeakPolarHBondContact O-CB 3.16Å; P588-T591 PolarHBondContact O-N 2.58Å; P588-T591 PolarHBondContact O-OG1 3.02Å
589K74.6Confident88.6Confident187 Ų18766.7 Ų66.781%0.81333%0.334SS*.THydrogen-bonded Turntrans-59.7-26.1-177.9-70.3-174.9178.7-179.50114T591K589-T591 VanDerWaalsContact C-N 3.33Å
590D75.4Confident88.4Confident152 Ų15266.2 Ų66.281%0.81333%0.328SS*.THydrogen-bonded Turntrans-90.56.3179.3-60.3-40.6000113.6P588 K592P588-D590 PolarHBondContact O-N 3.43Å; P588-D590 VanDerWaalsContact O-N 3.13Å; D590-K592 PolarHBondContact O-N 2.8Å; D590-K592 VanDerWaalsContact O-N 3.14Å
591T75.9Confident88Confident27 Ų2768.7 Ų68.717%0.16634%0.344CS..  trans-64.7116.4177.8-52.80000109.9P588 K589 M593P588-T591 VanDerWaalsContact CD-OG1 3.3Å; P588-T591 WeakPolarHBondContact CD-OG1 3.34Å; P588-T591 VanDerWaalsContact O-CB 3.27Å; P588-T591 WeakPolarHBondContact O-CB 3.16Å; P588-T591 PolarHBondContact O-N 2.58Å; P588-T591 PolarHBondContact O-OG1 3.02Å; K589-T591 VanDerWaalsContact C-N 3.33Å; T591-M593 HydrophobicContact CG2-CG 4.02Å; T591-M593 HydrophobicContact CG2-SD 4.2Å
592K81.8Confident87.5Confident161 Ų16169.9 Ų69.970%0.737%0.368SS*.  trans-124.2117.4168-66.8-175.5-177.5-1790107.9D590 T614D590-K592 PolarHBondContact O-N 2.8Å; D590-K592 VanDerWaalsContact O-N 3.14Å; K592-T614 HydrophobicContact CG-CG2 4.26Å
593M86.6Confident87Confident78 Ų7873.3 Ų73.338%0.38439%0.386SS..EExtended strand (participates in β ladder)trans-121.8143.6175.7-65.6178.467.100109.2T591 P612 F613 Y648T591-M593 HydrophobicContact CG2-CG 4.02Å; T591-M593 HydrophobicContact CG2-SD 4.2Å; M593-P612 CarbonylContact O-C 3.53Å; M593-F613 HydrophobicContact CB-CB 4.31Å; M593-F613 HydrophobicContact CB-CD1 4.49Å; M593-F613 PolarHBondContact N-O 2.97Å; M593-F613 PolarHBondContact O-N 2.86Å; M593-Y648 HydrophobicContact CE-CE2 4.47Å; M593-Y648 HydrophobicContact SD-CE2 4.31Å; M593-Y648 PolarHBondContact SD-OH 2.66Å
594D89.7Confident86.6Confident130 Ų13078.4 Ų78.470%0.69541%0.408SS*.EExtended strand (participates in β ladder)trans-100.6112.4177.8-81.9-15.5000108.7T610D594-T610 HydrophobicContact CB-CG2 3.43Å; D594-T610 VanDerWaalsContact CB-CG2 3.43Å
595V91.3Very high86.2Confident13 Ų1383.2 Ų83.28%0.07944%0.442CS..EExtended strand (participates in β ladder)trans-94.5121-179.7179.10000108.6V597 T610 V611 F613 H645 A646 W685V595-V597 HydrophobicContact CG1-CG2 4.3Å; V595-T610 WeakPolarHBondContact O-CA 3.38Å; V595-V611 PolarHBondContact N-O 2.61Å; V595-V611 PolarHBondContact O-N 3.3Å; V595-F613 HydrophobicContact CG2-CB 3.75Å; V595-F613 HydrophobicContact CG2-CG 4.42Å; V595-H645 HydrophobicContact CG1-CB 3.77Å; V595-H645 WeakPolarHBondContact CG1-O 3.47Å; V595-A646 HydrophobicContact CG2-CB 4.49Å; V595-W685 HydrophobicContact CB-CH2 4.44Å; V595-W685 HydrophobicContact CB-CZ2 4.38Å; V595-W685 HydrophobicContact CG1-CZ2 4.4Å; V595-W685 HydrophobicContact CG2-CH2 4.16Å; V595-W685 HydrophobicContact CG2-CZ2 4.15Å
596R92.5Very high85.8Confident185 Ų18585.7 Ų85.770%0.69845%0.447SS*.EExtended strand (participates in β ladder)trans-79124.3174.4-175.6176.9177.4177.1-1.9109.9A608R596-A608 HydrophobicContact CG-CB 3.98Å
597V92.4Very high85.8Confident0 Ų082.9 Ų82.90%044%0.438CS..EExtended strand (participates in β ladder)trans-118.2122.5179.1179.10000108.7M574 V595 A608 H609 V611 H645M574-V597 HydrophobicContact CE-CG2 4.27Å; V595-V597 HydrophobicContact CG1-CG2 4.3Å; V597-A608 CarbonylContact O-C 3.59Å; V597-A608 VanDerWaalsContact O-CA 3.25Å; V597-A608 WeakPolarHBondContact O-CA 3.42Å; V597-A608 WeakPolarHBondContact O-CB 3.46Å; V597-H609 PolarHBondContact N-O 3.19Å; V597-H609 PolarHBondContact O-N 3.35Å; V597-V611 HydrophobicContact CG2-CB 4.46Å; V597-V611 HydrophobicContact CG2-CG2 3.88Å; V597-H645 HydrophobicContact CG2-CB 4.04Å
598P92.1Very high86.1Confident21 Ų2183.2 Ų83.214%0.13645%0.445CS..EExtended strand (participates in β ladder)trans-71.2132.4176.228.7-32.7000110.6F600 P601 E604P598-F600 VanDerWaalsContact C-N 3.3Å; P598-F600 PolarHBondContact O-N 2.95Å; P598-P601 HydrophobicContact CG-CB 4.38Å; P598-E604 HydrophobicContact CB-CG 4.16Å
599D90.5Very high86.7Confident31 Ų3180.1 Ų80.117%0.16642%0.423CS..SBendtrans-65.6-38.9179.5-63.4-29.2000110.9P571 R572 G607 A608 H609P571-D599 HydrophobicContact CB-CB 4Å; R572-D599 WeakPolarHBondContact CB-O 3.36Å; R572-D599 WeakPolarHBondContact CG-O 3.36Å; R572-D599 PolarHBondContact N-O 2.95Å; D599-G607 PolarHBondContact N-O 3.44Å; D599-G607 VanDerWaalsContact N-O 3.12Å; D599-G607 WeakPolarHBondContact OD2-CA 3.42Å; D599-A608 PolarHBondContact OD2-N 3.26Å; D599-H609 IonicContact OD1-CE1 3.63Å; D599-H609 IonicContact OD1-CG 3.66Å; D599-H609 IonicContact OD1-ND1 2.68Å; D599-H609 PolarHBondContact OD1-ND1 3.25Å
600F91.6Very high87.5Confident29 Ų2974.8 Ų74.813%0.12741%0.406CS..  trans-128.496.9-179.9-60.3-85.5000109.8D568 T569 A570 P571 P598 A602 N603 E604 K606D568-F600 WeakPolarHBondContact O-CE1 3.27Å; T569-F600 WeakPolarHBondContact O-CZ 3.47Å; A570-F600 WeakPolarHBondContact O-CE1 3.22Å; P571-F600 HydrophobicContact CB-CE2 4.37Å; P571-F600 HydrophobicContact CB-CZ 4.26Å; P598-F600 VanDerWaalsContact C-N 3.3Å; P598-F600 PolarHBondContact O-N 2.95Å; F600-A602 PolarHBondContact O-N 2.99Å; F600-N603 CarbonylContact O-C 3.55Å; F600-N603 WeakPolarHBondContact O-CA 3.3Å; F600-N603 PolarHBondContact O-N 3.15Å; F600-N603 VanDerWaalsContact O-O 3.07Å; F600-E604 PolarHBondContact O-N 3.06Å; F600-K606 HydrophobicContact CB-CB 4.37Å; F600-K606 HydrophobicContact CB-CD 4.36Å; F600-K606 HydrophobicContact CD1-CD 4.45Å; F600-K606 HydrophobicContact CD2-CB 3.49Å; F600-K606 VanDerWaalsContact CD2-CB 3.49Å; F600-K606 HydrophobicContact CD2-CD 3.81Å; F600-K606 HydrophobicContact CD2-CG 4.32Å; F600-K606 HydrophobicContact CE2-CB 4.11Å; F600-K606 HydrophobicContact CE2-CD 4.19Å; F600-K606 HydrophobicContact CG-CB 4.2Å; F600-K606 HydrophobicContact CG-CD 3.95Å
601P85.2Confident88.4Confident51 Ų5167.6 Ų67.633%0.33137%0.367SS..THydrogen-bonded Turntrans-71.7-12.7-175.318.3-25.6000114.6R572 P598 N603R572-P601 VanDerWaalsContact NE-CD 3.29Å; R572-P601 VanDerWaalsContact NE-CG 3.35Å; P598-P601 HydrophobicContact CG-CB 4.38Å; P601-N603 VanDerWaalsContact C-N 3.3Å
602A86.1Confident89.1Confident100 Ų10067.3 Ų67.383%0.82637%0.366SS*.THydrogen-bonded Turntrans-75.8-21.4167.400000112.3F600F600-A602 PolarHBondContact O-N 2.99Å
603N86Confident89.7Confident72 Ų7259.7 Ų59.739%0.38533%0.333SS..  trans-151.688.1-179-172.4-3.6000111.5F600 P601 S605 K606F600-N603 CarbonylContact O-C 3.55Å; F600-N603 WeakPolarHBondContact O-CA 3.3Å; F600-N603 PolarHBondContact O-N 3.15Å; F600-N603 VanDerWaalsContact O-O 3.07Å; P601-N603 VanDerWaalsContact C-N 3.3Å; N603-S605 PolarHBondContact O-N 2.82Å; N603-S605 VanDerWaalsContact O-N 3.08Å; N603-S605 WeakPolarHBondContact OD1-CB 3.37Å; N603-S605 PolarHBondContact OD1-N 2.91Å; N603-S605 PolarHBondContact OD1-OG 3.31Å; N603-K606 PolarHBondContact O-N 2.97Å
604E85.1Confident89.9Confident137 Ų13756.7 Ų56.764%0.6432%0.319SS*.G310 helixtrans-63.3-15.1-178.2-62-174.1177.700113.9P598 F600 K606P598-E604 HydrophobicContact CB-CG 4.16Å; F600-E604 PolarHBondContact O-N 3.06Å; E604-K606 PolarHBondContact O-N 3.29Å
605S85.2Confident90Very high105 Ų10551.4 Ų51.473%0.73429%0.292SS*.G310 helixtrans-69.1-18.6177.172.10000113.6N603 G607N603-S605 PolarHBondContact O-N 2.82Å; N603-S605 VanDerWaalsContact O-N 3.08Å; N603-S605 WeakPolarHBondContact OD1-CB 3.37Å; N603-S605 PolarHBondContact OD1-N 2.91Å; N603-S605 PolarHBondContact OD1-OG 3.31Å; S605-G607 VanDerWaalsContact C-N 3.33Å; S605-G607 PolarHBondContact O-N 3.36Å
606K84.6Confident90.1Very high116 Ų11652.8 Ų52.850%0.50430%0.3SS..G310 helixtrans-75.9-17.4-178.5-76-168.9173.9-172.30114.2D568 F600 N603 E604D568-K606 PolarHBondContact O-NZ 3.38Å; F600-K606 HydrophobicContact CB-CB 4.37Å; F600-K606 HydrophobicContact CB-CD 4.36Å; F600-K606 HydrophobicContact CD1-CD 4.45Å; F600-K606 HydrophobicContact CD2-CB 3.49Å; F600-K606 VanDerWaalsContact CD2-CB 3.49Å; F600-K606 HydrophobicContact CD2-CD 3.81Å; F600-K606 HydrophobicContact CD2-CG 4.32Å; F600-K606 HydrophobicContact CE2-CB 4.11Å; F600-K606 HydrophobicContact CE2-CD 4.19Å; F600-K606 HydrophobicContact CG-CB 4.2Å; F600-K606 HydrophobicContact CG-CD 3.95Å; N603-K606 PolarHBondContact O-N 2.97Å; E604-K606 PolarHBondContact O-N 3.29Å
607G89Confident90.2Very high23 Ų2344 Ų4424%0.23727%0.267CS..  trans146.8162.3-17900000114D599 S605D599-G607 PolarHBondContact N-O 3.44Å; D599-G607 VanDerWaalsContact N-O 3.12Å; D599-G607 WeakPolarHBondContact OD2-CA 3.42Å; S605-G607 VanDerWaalsContact C-N 3.33Å; S605-G607 PolarHBondContact O-N 3.36Å
608A91.9Very high90.4Very high39 Ų3946.2 Ų46.232%0.32228%0.277SS..EExtended strand (participates in β ladder)trans-151.2146.9169.900000108.7R596 V597 D599R596-A608 HydrophobicContact CG-CB 3.98Å; V597-A608 CarbonylContact O-C 3.59Å; V597-A608 VanDerWaalsContact O-CA 3.25Å; V597-A608 WeakPolarHBondContact O-CA 3.42Å; V597-A608 WeakPolarHBondContact O-CB 3.46Å; D599-A608 PolarHBondContact OD2-N 3.26Å
609H92.8Very high90.6Very high26 Ų2645.2 Ų45.212%0.1227%0.27CS..EExtended strand (participates in β ladder)trans-114.2172.2171.863.6-86.9000110.7R572 V597 D599 V611 D734 S736R572-H609 PolarHBondContact O-CE1 3.22Å; V597-H609 PolarHBondContact N-O 3.19Å; V597-H609 PolarHBondContact O-N 3.35Å; D599-H609 IonicContact OD1-CE1 3.63Å; D599-H609 IonicContact OD1-CG 3.66Å; D599-H609 IonicContact OD1-ND1 2.68Å; D599-H609 PolarHBondContact OD1-ND1 3.25Å; H609-V611 VanDerWaalsContact CD2-CG2 3.5Å; H609-V611 WeakPolarHBondContact CD2-CG2 3.26Å; H609-D734 IonicContact NE2-OD2 3.71Å; H609-S736 WeakPolarHBondContact CD2-CB 3.28Å
610T92.4Very high90.8Very high75 Ų7544.4 Ų44.446%0.4627%0.266SS..EExtended strand (participates in β ladder)trans-117.9130.9-179.2-55.10000109.5D594 V595D594-T610 HydrophobicContact CB-CG2 3.43Å; D594-T610 VanDerWaalsContact CB-CG2 3.43Å; V595-T610 WeakPolarHBondContact O-CA 3.38Å
611V92.6Very high90.9Very high0 Ų045 Ų450%027%0.269CS..EExtended strand (participates in β ladder)trans-116130178-175.40000108.6M574 V595 V597 H609 W685 D734M574-V611 HydrophobicContact CE-CB 4.25Å; M574-V611 HydrophobicContact CE-CG1 4Å; M574-V611 HydrophobicContact CE-CG2 4.11Å; V595-V611 PolarHBondContact N-O 2.61Å; V595-V611 PolarHBondContact O-N 3.3Å; V597-V611 HydrophobicContact CG2-CB 4.46Å; V597-V611 HydrophobicContact CG2-CG2 3.88Å; H609-V611 VanDerWaalsContact CD2-CG2 3.5Å; H609-V611 WeakPolarHBondContact CD2-CG2 3.26Å; V611-W685 HydrophobicContact CG1-CH2 4.18Å; V611-W685 HydrophobicContact CG1-CZ3 4.32Å; V611-D734 HydrophobicContact CG1-CB 4.09Å; V611-D734 HydrophobicContact CG2-CB 4.23Å
612P92.5Very high91.2Very high21 Ų2145.6 Ų45.614%0.13627%0.274CS..EExtended strand (participates in β ladder)trans-66.9144.2176.228.3-34.4000110.3M593 W685 S687 Q688M593-P612 CarbonylContact O-C 3.53Å; P612-W685 WeakPolarHBondContact O-CZ3 3.47Å; P612-S687 VanDerWaalsContact O-CB 3.28Å; P612-S687 WeakPolarHBondContact O-CB 3.43Å; P612-Q688 HydrophobicContact CG-CB 4.15Å
613F92.5Very high91.5Very high1 Ų140.9 Ų40.90%0.00424%0.235CC..EExtended strand (participates in β ladder)trans-124.7127.3172.9-178.2-97.9000109.2I584 L587 M593 V595 V617 L643 A646 Y648 W685I584-F613 HydrophobicContact CD1-CE1 4.4Å; I584-F613 HydrophobicContact CD1-CE2 4.33Å; I584-F613 HydrophobicContact CD1-CZ 3.65Å; L587-F613 HydrophobicContact CD1-CE1 3.87Å; L587-F613 HydrophobicContact CD1-CZ 4.46Å; M593-F613 HydrophobicContact CB-CB 4.31Å; M593-F613 HydrophobicContact CB-CD1 4.49Å; M593-F613 PolarHBondContact N-O 2.97Å; M593-F613 PolarHBondContact O-N 2.86Å; V595-F613 HydrophobicContact CG2-CB 3.75Å; V595-F613 HydrophobicContact CG2-CG 4.42Å; F613-V617 HydrophobicContact CD2-CG1 4.14Å; F613-V617 HydrophobicContact CE2-CG1 3.91Å; F613-L643 HydrophobicContact CE2-CD1 3.85Å; F613-L643 HydrophobicContact CZ-CD1 4.32Å; F613-A646 HydrophobicContact CD2-CB 4.25Å; F613-A646 HydrophobicContact CE2-CB 4.16Å; F613-Y648 HydrophobicContact CD1-CE2 4.26Å; F613-Y648 AromaticContact CE1-CD2 3.74Å; F613-Y648 HydrophobicContact CE1-CD2 3.74Å; F613-Y648 AromaticContact CE1-CE2 3.72Å; F613-Y648 HydrophobicContact CE1-CE2 3.72Å; F613-Y648 HydrophobicContact CE2-CD2 4.48Å; F613-Y648 AromaticContact CZ-CD2 3.72Å; F613-Y648 HydrophobicContact CZ-CD2 3.72Å; F613-Y648 HydrophobicContact CZ-CE2 4.19Å; F613-W685 HydrophobicContact CB-CH2 3.78Å; F613-W685 HydrophobicContact CB-CZ3 4.19Å; F613-W685 HydrophobicContact CD2-CD2 4.41Å; F613-W685 HydrophobicContact CD2-CE3 4.04Å; F613-W685 AromaticContact CD2-CH2 3.49Å; F613-W685 HydrophobicContact CD2-CH2 3.49Å; F613-W685 VanDerWaalsContact CD2-CH2 3.49Å; F613-W685 AromaticContact CD2-CZ2 3.84Å; F613-W685 HydrophobicContact CD2-CZ2 3.84Å; F613-W685 AromaticContact CD2-CZ3 3.59Å; F613-W685 HydrophobicContact CD2-CZ3 3.59Å; F613-W685 HydrophobicContact CG-CH2 4.12Å; F613-W685 HydrophobicContact CG-CZ3 4.37Å
614T92.3Very high91.9Very high16 Ų1638 Ų3810%0.09822%0.219CC..  trans-134.5178.417969.10000111K592 T616 S687 Q688K592-T614 HydrophobicContact CG-CG2 4.26Å; T614-T616 PolarHBondContact O-N 2.71Å; T614-T616 VanDerWaalsContact O-N 3.14Å; T614-T616 PolarHBondContact OG1-N 2.7Å; T614-T616 PolarHBondContact OG1-O 3.15Å; T614-T616 VanDerWaalsContact OG1-O 3.1Å; T614-S687 PolarHBondContact N-OG 3.34Å; T614-S687 PolarHBondContact OG1-OG 3.03Å; T614-Q688 HydrophobicContact CG2-CG 4.38Å
615C91.1Very high92.2Very high18 Ų1836.1 Ų36.112%0.12221%0.206CC..SBendtrans-63.5-14.317562.40000113.9T583 I584T583-C615 WeakPolarHBondContact CA-O 3.33Å; I584-C615 PolarHBondContact N-O 2.59Å
616T93.3Very high92.3Very high42 Ų4235.1 Ų35.126%0.25819%0.19SC..EExtended strand (participates in β ladder)trans-114.2117.3175.9-56.30000109.8K581 V582 T614 F618 S687K581-T616 HydrophobicContact CG-CG2 4.2Å; V582-T616 WeakPolarHBondContact O-CA 3.39Å; T614-T616 PolarHBondContact O-N 2.71Å; T614-T616 VanDerWaalsContact O-N 3.14Å; T614-T616 PolarHBondContact OG1-N 2.7Å; T614-T616 PolarHBondContact OG1-O 3.15Å; T614-T616 VanDerWaalsContact OG1-O 3.1Å; T616-F618 HydrophobicContact CG2-CE2 4.39Å; T616-F618 HydrophobicContact CG2-CZ 4.45Å; T616-S687 PolarHBondContact O-OG 2.89Å
617V94.9Very high92.4Very high0 Ų034.7 Ų34.70%020%0.197CC..EExtended strand (participates in β ladder)trans-127.1157.8176.9-56.50000109.6V582 F613 W685 V686V582-V617 WeakPolarHBondContact CA-O 3.42Å; V582-V617 HydrophobicContact CB-CG2 3.84Å; V582-V617 WeakPolarHBondContact CB-O 3.45Å; V582-V617 HydrophobicContact CG1-CG2 4.15Å; V582-V617 PolarHBondContact N-O 2.9Å; V582-V617 PolarHBondContact O-N 2.88Å; V582-V617 VanDerWaalsContact O-O 3.1Å; F613-V617 HydrophobicContact CD2-CG1 4.14Å; F613-V617 HydrophobicContact CE2-CG1 3.91Å; V617-W685 HydrophobicContact CB-CE3 4.35Å; V617-W685 HydrophobicContact CG1-CE3 3.98Å; V617-W685 HydrophobicContact CG1-CZ3 4.49Å; V617-V686 CarbonylContact C-O 3.53Å; V617-V686 WeakPolarHBondContact CA-O 3.46Å
618F96.6Very high92.1Very high47 Ų4738 Ų3821%0.20621%0.207CC..EExtended strand (participates in β ladder)trans-116.8138.4174.1-59-93.9000109P579 L580 K581 T616 W685 V686 P689 L732P579-F618 HydrophobicContact CB-CB 4.4Å; P579-F618 HydrophobicContact CB-CD1 4.18Å; L580-F618 WeakPolarHBondContact O-CA 3.44Å; K581-F618 HydrophobicContact CB-CD1 4.11Å; K581-F618 HydrophobicContact CB-CE1 3.86Å; K581-F618 HydrophobicContact CG-CD1 4.48Å; K581-F618 HydrophobicContact CG-CE1 3.96Å; K581-F618 HydrophobicContact CG-CZ 4.44Å; T616-F618 HydrophobicContact CG2-CE2 4.39Å; T616-F618 HydrophobicContact CG2-CZ 4.45Å; F618-W685 CarbonylContact O-C 3.57Å; F618-W685 VanDerWaalsContact O-CA 3.26Å; F618-W685 WeakPolarHBondContact O-CA 3.33Å; F618-V686 HydrophobicContact CB-CG2 3.84Å; F618-V686 PolarHBondContact N-O 3.48Å; F618-V686 PolarHBondContact O-N 2.93Å; F618-P689 HydrophobicContact CD2-CG 3.96Å; F618-P689 HydrophobicContact CE2-CG 4.11Å; F618-L732 HydrophobicContact CB-CD1 3.92Å; F618-L732 HydrophobicContact CD1-CD1 3.68Å; F618-L732 HydrophobicContact CD2-CD1 3.9Å; F618-L732 HydrophobicContact CE1-CD1 4.13Å; F618-L732 HydrophobicContact CE2-CD1 4.34Å; F618-L732 HydrophobicContact CG-CD1 3.55Å; F618-L732 HydrophobicContact CZ-CD1 4.44Å
619I96.3Very high91.8Very high0 Ų041.2 Ų41.20%022%0.216CC..EExtended strand (participates in β ladder)trans-127.1168175.965.6173.6000109.3V576 L580 V582 L635 L666 I683 W685V576-I619 VanDerWaalsContact CG1-C 3.43Å; V576-I619 VanDerWaalsContact CG1-O 3.29Å; V576-I619 WeakPolarHBondContact CG1-O 3.29Å; L580-I619 HydrophobicContact CB-CG1 4.23Å; L580-I619 PolarHBondContact N-O 2.86Å; L580-I619 PolarHBondContact O-N 2.96Å; V582-I619 HydrophobicContact CG2-CD1 3.76Å; V582-I619 HydrophobicContact CG2-CG1 3.7Å; V582-I619 HydrophobicContact CG2-CG2 4.33Å; I619-L635 HydrophobicContact CD1-CD2 4.13Å; I619-L666 HydrophobicContact CD1-CD1 4.49Å; I619-I683 HydrophobicContact CB-CD1 4.14Å; I619-I683 HydrophobicContact CD1-CD1 4.12Å; I619-I683 HydrophobicContact CG2-CD1 3.9Å; I619-W685 HydrophobicContact CG2-CB 4.14Å
620E94.8Very high91.3Very high15 Ų1550.8 Ų50.87%0.0726%0.257CS..EExtended strand (participates in β ladder)trans-65.5138.1173.9-68-72.5179.500111.6V576 L577 E578 S622 D623 H684V576-E620 VanDerWaalsContact CA-OE1 3.3Å; V576-E620 WeakPolarHBondContact CA-OE1 3.33Å; V576-E620 HydrophobicContact CG1-CG 4.18Å; L577-E620 PolarHBondContact N-OE1 2.87Å; L577-E620 PolarHBondContact N-OE2 2.81Å; E578-E620 PolarHBondContact N-OE2 2.93Å; E578-E620 CarbonylContact O-C 3.59Å; E620-S622 PolarHBondContact O-N 2.89Å; E620-S622 VanDerWaalsContact O-N 3.17Å; E620-D623 HydrophobicContact CB-CB 4.28Å; E620-D623 PolarHBondContact O-N 3.36Å; E620-H684 VanDerWaalsContact CG-CE1 3.41Å; E620-H684 WeakPolarHBondContact CG-CE1 3.47Å; E620-H684 VanDerWaalsContact CG-NE2 3.3Å; E620-H684 WeakPolarHBondContact CG-NE2 3.32Å; E620-H684 IonicContact OE1-CE1 3.19Å; E620-H684 IonicContact OE1-NE2 2.64Å; E620-H684 PolarHBondContact OE1-NE2 3.11Å
621Q92.9Very high90.9Very high42 Ų4250.3 Ų50.320%0.19627%0.267CS..G310 helixtrans-54.6-35.4172.4-167.375.63900111.5E578 D623 F624 V663E578-Q621 HydrophobicContact CB-CB 3.93Å; E578-Q621 PolarHBondContact O-N 2.91Å; Q621-D623 VanDerWaalsContact C-N 3.28Å; Q621-D623 PolarHBondContact O-N 3.19Å; Q621-F624 PolarHBondContact O-N 3.33Å; Q621-V663 PolarHBondContact NE2-O 2.83Å; Q621-V663 VanDerWaalsContact NE2-O 3.12Å
622S91.6Very high90.7Very high63 Ų6351 Ų5144%0.44127%0.27SS..G310 helixtrans-72.4-15.3179.169.70000114.7E620 F624 Y632E620-S622 PolarHBondContact O-N 2.89Å; E620-S622 VanDerWaalsContact O-N 3.17Å; S622-F624 VanDerWaalsContact C-N 3.32Å; S622-Y632 PolarHBondContact O-OH 3.48Å
623D93.4Very high90.5Very high1 Ų156 Ų561%0.00529%0.29CS..G310 helixtrans-881.2178.4-75.9-34.1000113.5E620 Q621 Y632 R634 L635 I683 R750E620-D623 HydrophobicContact CB-CB 4.28Å; E620-D623 PolarHBondContact O-N 3.36Å; Q621-D623 VanDerWaalsContact C-N 3.28Å; Q621-D623 PolarHBondContact O-N 3.19Å; D623-Y632 VanDerWaalsContact CA-OH 3.29Å; D623-Y632 WeakPolarHBondContact CA-OH 3.42Å; D623-Y632 PolarHBondContact O-OH 2.92Å; D623-Y632 VanDerWaalsContact O-OH 3.07Å; D623-R634 HydrophobicContact CB-CB 4.31Å; D623-R634 WeakPolarHBondContact O-CB 3.31Å; D623-R634 WeakPolarHBondContact OD1-CG 3.47Å; D623-R634 IonicContact OD1-NE 3.86Å; D623-R634 PolarHBondContact OD1-NE 3.22Å; D623-L635 VanDerWaalsContact O-CB 3.28Å; D623-L635 WeakPolarHBondContact O-CB 3.47Å; D623-L635 PolarHBondContact O-N 3.02Å; D623-I683 HydrophobicContact CB-CD1 4.14Å; D623-I683 HydrophobicContact CB-CG2 4.24Å; D623-R750 IonicContact OD1-CZ 3.48Å; D623-R750 IonicContact OD1-NH1 2.75Å; D623-R750 IonicContact OD1-NH2 2.76Å; D623-R750 PolarHBondContact OD1-NH2 3.41Å; D623-R750 IonicContact OD2-CZ 2.74Å; D623-R750 IonicContact OD2-NH1 3.65Å; D623-R750 PolarHBondContact OD2-NH1 2.69Å; D623-R750 IonicContact OD2-NH2 3.6Å; D623-R750 PolarHBondContact OD2-NH2 3.33Å
624F93.9Very high90.4Very high12 Ų1260 Ų605%0.05330%0.304CS..BIsolated β-bridgetrans-118.2136.3166175.7-106.9000112.2L580 Q621 S622 E626 Y632 L635 P637 V652 V655 V663 L666L580-F624 HydrophobicContact CD2-CB 3.77Å; L580-F624 HydrophobicContact CD2-CD1 4.28Å; L580-F624 HydrophobicContact CD2-CG 4.27Å; Q621-F624 PolarHBondContact O-N 3.33Å; S622-F624 VanDerWaalsContact C-N 3.32Å; F624-E626 HydrophobicContact CE1-CG 3.86Å; F624-E626 HydrophobicContact CZ-CG 3.98Å; F624-Y632 PolarHBondContact N-OH 3.07Å; F624-L635 WeakPolarHBondContact CA-O 2.94Å; F624-L635 HydrophobicContact CD2-CB 4.36Å; F624-L635 HydrophobicContact CD2-CD2 4.2Å; F624-L635 HydrophobicContact CD2-CG 4.1Å; F624-P637 HydrophobicContact CE2-CG 4.49Å; F624-V652 HydrophobicContact CD2-CG2 4.36Å; F624-V652 HydrophobicContact CE2-CG2 4.02Å; F624-V655 HydrophobicContact CE1-CG1 4.1Å; F624-V655 HydrophobicContact CE1-CG2 4.42Å; F624-V655 HydrophobicContact CE2-CG2 4.43Å; F624-V655 HydrophobicContact CZ-CG1 4.17Å; F624-V655 HydrophobicContact CZ-CG2 3.67Å; F624-V663 HydrophobicContact CD1-CG1 4.11Å; F624-V663 HydrophobicContact CE1-CB 4.49Å; F624-V663 HydrophobicContact CE1-CG1 3.97Å; F624-V663 HydrophobicContact CE1-CG2 4.05Å; F624-L666 HydrophobicContact CB-CD1 4.01Å; F624-L666 HydrophobicContact CD1-CD1 4.24Å; F624-L666 HydrophobicContact CD1-CD2 4.12Å; F624-L666 HydrophobicContact CD2-CD1 3.71Å; F624-L666 HydrophobicContact CD2-CD2 4.28Å; F624-L666 HydrophobicContact CE1-CD2 3.9Å; F624-L666 HydrophobicContact CE2-CD1 4.26Å; F624-L666 HydrophobicContact CE2-CD2 4.07Å; F624-L666 HydrophobicContact CG-CD1 3.7Å; F624-L666 HydrophobicContact CG-CD2 4.31Å; F624-L666 HydrophobicContact CZ-CD2 3.87Å
625R91Very high90.5Very high96 Ų9659.2 Ų59.236%0.36230%0.3SS..  trans-139.7141.3168.1-70.2-172.2-179.8-173.22.8111.3E629 Y632 L635 T636 P637R625-E629 IonicContact CZ-OE1 3.45Å; R625-E629 IonicContact CZ-OE2 3.95Å; R625-E629 IonicContact NH1-OE1 2.67Å; R625-E629 PolarHBondContact NH1-OE1 3.37Å; R625-E629 IonicContact NH1-OE2 3.52Å; R625-E629 PolarHBondContact NH1-OE2 3.12Å; R625-Y632 HydrophobicContact CB-CE1 4.12Å; R625-Y632 HydrophobicContact CG-CE1 4.2Å; R625-Y632 HydrophobicContact CG-CE2 4.02Å; R625-L635 PolarHBondContact N-O 2.94Å; R625-L635 VanDerWaalsContact N-O 3.08Å; R625-T636 WeakPolarHBondContact O-CA 3.4Å; R625-T636 WeakPolarHBondContact O-CB 3.26Å; R625-P637 WeakPolarHBondContact O-CD 3.49Å
626E87.8Confident90.5Very high84 Ų8458.4 Ų58.439%0.39330%0.295SS..SBendtrans-73.9-41.1176.1-62.2-168.9168.200112.1F624 K657F624-E626 HydrophobicContact CE1-CG 3.86Å; F624-E626 HydrophobicContact CZ-CG 3.98Å; E626-K657 WeakPolarHBondContact OE1-CE 3.31Å; E626-K657 IonicContact OE1-NZ 2.97Å; E626-K657 PolarHBondContact OE1-NZ 3.4Å; E626-K657 IonicContact OE2-NZ 3.79Å; E626-K657 PolarHBondContact OE2-NZ 3.22Å
627V86.8Confident90.4Very high108 Ų10859.5 Ų59.566%0.65530%0.302SS*.SBendtrans-98.9127.6-179.3-175.50000109.4E629V627-E629 PolarHBondContact O-N 3.49Å
628M82.9Confident90.1Very high91 Ų9167.6 Ų67.645%0.44834%0.34SS..PPolyproline II helixtrans-74.9118.5176.1-167.2-176.7-169.900110.4Q639M628-Q639 VanDerWaalsContact CE-OE1 3.27Å
629E86.3Confident89.8Confident108 Ų10865.9 Ų65.951%0.50533%0.333SS..PPolyproline II helixtrans-100.5150.1171.7-77.1170.9-139.100111.4R625 V627 G631 Y632R625-E629 IonicContact CZ-OE1 3.45Å; R625-E629 IonicContact CZ-OE2 3.95Å; R625-E629 IonicContact NH1-OE1 2.67Å; R625-E629 PolarHBondContact NH1-OE1 3.37Å; R625-E629 IonicContact NH1-OE2 3.52Å; R625-E629 PolarHBondContact NH1-OE2 3.12Å; V627-E629 PolarHBondContact O-N 3.49Å; E629-G631 PolarHBondContact O-N 2.91Å; E629-G631 VanDerWaalsContact O-N 3.08Å; E629-Y632 PolarHBondContact O-N 3Å; E629-Y632 VanDerWaalsContact O-N 3.08Å
630K82.6Confident89.6Confident226 Ų22668 Ų6898%0.98335%0.347SS*.THydrogen-bonded Turntrans-61.9114.7177.9-163.9178.1-176.8-179.10109.8
631G82.8Confident89.6Confident66 Ų6667.3 Ų67.368%0.6834%0.343SS*.THydrogen-bonded Turntrans102.6-8-179.800000115.2E629E629-G631 PolarHBondContact O-N 2.91Å; E629-G631 VanDerWaalsContact O-N 3.08Å
632Y87.7Confident89.7Confident13 Ų1365.3 Ų65.35%0.05133%0.334CS..  trans-76.6122.7175-168.3-101.3000111.6S622 D623 F624 R625 E629 R634 T636 Q639S622-Y632 PolarHBondContact O-OH 3.48Å; D623-Y632 VanDerWaalsContact CA-OH 3.29Å; D623-Y632 WeakPolarHBondContact CA-OH 3.42Å; D623-Y632 PolarHBondContact O-OH 2.92Å; D623-Y632 VanDerWaalsContact O-OH 3.07Å; F624-Y632 PolarHBondContact N-OH 3.07Å; R625-Y632 HydrophobicContact CB-CE1 4.12Å; R625-Y632 HydrophobicContact CG-CE1 4.2Å; R625-Y632 HydrophobicContact CG-CE2 4.02Å; E629-Y632 PolarHBondContact O-N 3Å; E629-Y632 VanDerWaalsContact O-N 3.08Å; Y632-R634 HydrophobicContact CE1-CB 3.81Å; Y632-R634 HydrophobicContact CE2-CB 4.44Å; Y632-T636 HydrophobicContact CD1-CG2 3.8Å; Y632-T636 HydrophobicContact CE1-CG2 3.88Å; Y632-Q639 PolarHBondContact O-NE2 3.23Å
633K88.8Confident89.8Confident127 Ų12762.4 Ų62.455%0.55231%0.313SS*.  trans-110.1-0.3-172.8-60.1-178.8-177.4178.90114.8Q639 K680 A681K633-Q639 PolarHBondContact O-NE2 2.83Å; K633-K680 HydrophobicContact CB-CB 4.23Å; K633-A681 HydrophobicContact CB-CB 4.05Å; K633-A681 VanDerWaalsContact O-CB 3.28Å; K633-A681 WeakPolarHBondContact O-CB 3.48Å
634R91.8Very high89.6Confident84 Ų8465.6 Ų65.632%0.31733%0.325SS..SBendtrans-97.7-159.2-176.5-50.191.3124.6170.86.2111.1D623 Y632 Q639 I683D623-R634 HydrophobicContact CB-CB 4.31Å; D623-R634 WeakPolarHBondContact O-CB 3.31Å; D623-R634 WeakPolarHBondContact OD1-CG 3.47Å; D623-R634 IonicContact OD1-NE 3.86Å; D623-R634 PolarHBondContact OD1-NE 3.22Å; Y632-R634 HydrophobicContact CE1-CB 3.81Å; Y632-R634 HydrophobicContact CE2-CB 4.44Å; R634-Q639 PolarHBondContact O-NE2 3.26Å; R634-I683 HydrophobicContact CB-CG2 4.33Å; R634-I683 HydrophobicContact CG-CG2 3.98Å
635L92.6Very high89.5Confident0 Ų068.1 Ų68.10%034%0.337CS..BIsolated β-bridgetrans-72.6128.3-167.7-168.162.5000111.7I619 D623 F624 R625 V641 I650 V652 L666I619-L635 HydrophobicContact CD1-CD2 4.13Å; D623-L635 VanDerWaalsContact O-CB 3.28Å; D623-L635 WeakPolarHBondContact O-CB 3.47Å; D623-L635 PolarHBondContact O-N 3.02Å; F624-L635 WeakPolarHBondContact CA-O 2.94Å; F624-L635 HydrophobicContact CD2-CB 4.36Å; F624-L635 HydrophobicContact CD2-CD2 4.2Å; F624-L635 HydrophobicContact CD2-CG 4.1Å; R625-L635 PolarHBondContact N-O 2.94Å; R625-L635 VanDerWaalsContact N-O 3.08Å; L635-V641 HydrophobicContact CB-CB 4.29Å; L635-V641 HydrophobicContact CB-CG1 4Å; L635-V641 HydrophobicContact CD1-CB 4.3Å; L635-V641 HydrophobicContact CD1-CG1 3.94Å; L635-V641 HydrophobicContact CG-CG1 4.4Å; L635-I650 HydrophobicContact CD1-CG1 4.4Å; L635-I650 HydrophobicContact CD2-CD1 4.16Å; L635-V652 HydrophobicContact CD1-CG2 3.74Å; L635-V652 HydrophobicContact CD2-CG2 3.73Å; L635-V652 HydrophobicContact CG-CG2 3.58Å; L635-L666 HydrophobicContact CD2-CD1 3.85Å
636T91.8Very high89.3Confident2 Ų264.1 Ų64.11%0.01233%0.325CS..BIsolated β-bridgetrans-135.7169166.974.90000108.9R625 Y632 E638 Q639R625-T636 WeakPolarHBondContact O-CA 3.4Å; R625-T636 WeakPolarHBondContact O-CB 3.26Å; Y632-T636 HydrophobicContact CD1-CG2 3.8Å; Y632-T636 HydrophobicContact CE1-CG2 3.88Å; T636-E638 PolarHBondContact O-N 2.84Å; T636-E638 VanDerWaalsContact O-N 3.14Å; T636-E638 PolarHBondContact OG1-N 3.38Å; T636-Q639 PolarHBondContact N-O 3.11Å; T636-Q639 VanDerWaalsContact N-O 3.1Å; T636-Q639 PolarHBondContact O-N 2.77Å; T636-Q639 VanDerWaalsContact O-O 3.08Å; T636-Q639 WeakPolarHBondContact OG1-CB 3.36Å; T636-Q639 PolarHBondContact OG1-N 3.1Å; T636-Q639 VanDerWaalsContact OG1-N 3.09Å
637P90.7Very high89.3Confident64 Ų6461.6 Ų61.642%0.41632%0.321SS..THydrogen-bonded Turntrans-54.6-29.9174.5-28.537.1000114.2F624 R625F624-P637 HydrophobicContact CE2-CG 4.49Å; R625-P637 WeakPolarHBondContact O-CD 3.49Å
638E88.8Confident89.4Confident171 Ų17158.5 Ų58.580%0.79930%0.298SS*.THydrogen-bonded Turntrans-101.9-9.3-178.1-61.3179.8179.400113.5T636T636-E638 PolarHBondContact O-N 2.84Å; T636-E638 VanDerWaalsContact O-N 3.14Å; T636-E638 PolarHBondContact OG1-N 3.38Å
639Q90.3Very high89.9Confident11 Ų1154.4 Ų54.45%0.05128%0.278CS..BIsolated β-bridgetrans-127.9117.3-172-173.8172.3-87.900111.9M628 Y632 K633 R634 T636 K680M628-Q639 VanDerWaalsContact CE-OE1 3.27Å; Y632-Q639 PolarHBondContact O-NE2 3.23Å; K633-Q639 PolarHBondContact O-NE2 2.83Å; R634-Q639 PolarHBondContact O-NE2 3.26Å; T636-Q639 PolarHBondContact N-O 3.11Å; T636-Q639 VanDerWaalsContact N-O 3.1Å; T636-Q639 PolarHBondContact O-N 2.77Å; T636-Q639 VanDerWaalsContact O-O 3.08Å; T636-Q639 WeakPolarHBondContact OG1-CB 3.36Å; T636-Q639 PolarHBondContact OG1-N 3.1Å; T636-Q639 VanDerWaalsContact OG1-N 3.09Å; Q639-K680 VanDerWaalsContact OE1-CD 3.25Å; Q639-K680 VanDerWaalsContact OE1-CE 3.29Å
640P93.2Very high90.3Very high45 Ų4549.2 Ų49.229%0.29225%0.254SS..  trans-75162.2176.231.5-35.4000112.8V649 I650P640-V649 HydrophobicContact CB-CG1 3.8Å; P640-I650 VanDerWaalsContact CA-O 3.25Å; P640-I650 WeakPolarHBondContact CA-O 3.34Å; P640-I650 WeakPolarHBondContact CB-O 3.33Å
641V94.3Very high90.8Very high0 Ų040.6 Ų40.60%022%0.222CC..EExtended strand (participates in β ladder)trans-135.5145.617781.70000111.5L635 V649 I650 A681 I683L635-V641 HydrophobicContact CB-CB 4.29Å; L635-V641 HydrophobicContact CB-CG1 4Å; L635-V641 HydrophobicContact CD1-CB 4.3Å; L635-V641 HydrophobicContact CD1-CG1 3.94Å; L635-V641 HydrophobicContact CG-CG1 4.4Å; V641-V649 WeakPolarHBondContact O-CA 3.49Å; V641-I650 HydrophobicContact CG1-CD1 4.04Å; V641-I650 HydrophobicContact CG1-CG1 3.68Å; V641-I650 PolarHBondContact N-O 3.09Å; V641-I650 PolarHBondContact O-N 3.18Å; V641-A681 HydrophobicContact CG2-CB 4.49Å; V641-A681 WeakPolarHBondContact CG2-O 3.4Å; V641-I683 HydrophobicContact CG1-CD1 3.64Å; V641-I683 HydrophobicContact CG1-CG1 3.93Å; V641-I683 HydrophobicContact CG2-CB 4.47Å; V641-I683 HydrophobicContact CG2-CD1 4.34Å; V641-I683 HydrophobicContact CG2-CG1 4.08Å; V641-I683 HydrophobicContact CG2-CG2 3.74Å
642G94.4Very high91.3Very high0 Ų038.6 Ų38.60%020%0.196CC..EExtended strand (participates in β ladder)trans-81.2140.6174.700000112.2A681 F682 I683G642-A681 PolarHBondContact N-O 3.42Å; G642-F682 CarbonylContact O-C 3.59Å; G642-F682 VanDerWaalsContact O-CA 3.23Å; G642-F682 WeakPolarHBondContact O-CA 3.42Å; G642-I683 PolarHBondContact O-N 3.46Å
643L93.3Very high91.6Very high1 Ų143.4 Ų43.41%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-89.1123167.6-65.2-174.8000109.1F613 A646 Y648 I650 I683 W685F613-L643 HydrophobicContact CE2-CD1 3.85Å; F613-L643 HydrophobicContact CZ-CD1 4.32Å; L643-A646 HydrophobicContact CB-CB 3.95Å; L643-Y648 PolarHBondContact N-O 2.86Å; L643-I650 HydrophobicContact CD1-CG2 3.87Å; L643-I650 HydrophobicContact CD2-CD1 3.96Å; L643-I650 HydrophobicContact CD2-CG1 4.4Å; L643-I650 HydrophobicContact CG-CD1 4.42Å; L643-I650 HydrophobicContact CG-CG1 4.47Å; L643-I650 HydrophobicContact CG-CG2 4.11Å; L643-I683 HydrophobicContact CD2-CD1 4.47Å; L643-I683 HydrophobicContact CD2-CG1 4.16Å; L643-W685 HydrophobicContact CB-CG 4.44Å; L643-W685 HydrophobicContact CD2-CB 4.15Å; L643-W685 HydrophobicContact CD2-CG 4.17Å
644R90.9Very high91.8Very high69 Ų6942.8 Ų42.826%0.2622%0.217SC..THydrogen-bonded Turntrans-65.3139.4-174.7-158.5159.6179.4-161.3-3.3111.1A646 F682 I683 W685 E749R644-A646 PolarHBondContact O-N 3.03Å; R644-F682 HydrophobicContact CB-CB 4.47Å; R644-I683 WeakPolarHBondContact CB-O 3.24Å; R644-I683 PolarHBondContact N-O 3.21Å; R644-W685 PolarHBondContact O-NE1 3.37Å; R644-E749 WeakPolarHBondContact CD-OE2 3.36Å; R644-E749 IonicContact CZ-OE2 3.81Å; R644-E749 IonicContact NE-OE2 3.56Å; R644-E749 PolarHBondContact NE-OE2 3.38Å; R644-E749 IonicContact NH1-OE2 3.82Å; R644-E749 PolarHBondContact NH1-OE2 3.15Å; R644-E749 IonicContact NH2-OE2 2.92Å
645H90.4Very high91.9Very high64 Ų6440.8 Ų40.830%0.29621%0.214SC..THydrogen-bonded Turntrans63.5-23.6-177-46.9-56.9000116.4V595 V597 G647 E749V595-H645 HydrophobicContact CG1-CB 3.77Å; V595-H645 WeakPolarHBondContact CG1-O 3.47Å; V597-H645 HydrophobicContact CG2-CB 4.04Å; H645-G647 PolarHBondContact O-N 3.2Å; H645-E749 IonicContact CE1-OE1 3.48Å; H645-E749 IonicContact NE2-OE1 3.77Å; H645-E749 PolarHBondContact NE2-OE1 3.1Å; H645-E749 IonicContact NE2-OE2 3.76Å
646A87.6Confident91.9Very high13 Ų1343 Ų4311%0.10723%0.225CC..THydrogen-bonded Turntrans-75-18.2-17500000114.7V595 F613 L643 R644 Y648 W685V595-A646 HydrophobicContact CG2-CB 4.49Å; F613-A646 HydrophobicContact CD2-CB 4.25Å; F613-A646 HydrophobicContact CE2-CB 4.16Å; L643-A646 HydrophobicContact CB-CB 3.95Å; R644-A646 PolarHBondContact O-N 3.03Å; A646-Y648 VanDerWaalsContact C-N 3.28Å; A646-Y648 HydrophobicContact CB-CD2 4.17Å; A646-Y648 WeakPolarHBondContact O-CD2 3.35Å; A646-Y648 WeakPolarHBondContact O-CE2 3.31Å; A646-Y648 PolarHBondContact O-N 3.47Å; A646-W685 HydrophobicContact CB-CZ2 3.78Å
647G86.9Confident92Very high30 Ų3047.6 Ų47.631%0.30925%0.245SC..THydrogen-bonded Turntrans72.518.1-176.800000114.5H645 S673H645-G647 PolarHBondContact O-N 3.2Å; G647-S673 WeakPolarHBondContact O-CB 3.26Å; G647-S673 PolarHBondContact O-N 3.28Å; G647-S673 PolarHBondContact O-OG 3.01Å; G647-S673 VanDerWaalsContact O-OG 3.1Å
648Y90.3Very high92Very high44 Ų4447.3 Ų47.317%0.17324%0.24CC..EExtended strand (participates in β ladder)trans-122.4148-178.3-65.7-65.4000112.7M593 F613 L643 A646 C671M593-Y648 HydrophobicContact CE-CE2 4.47Å; M593-Y648 HydrophobicContact SD-CE2 4.31Å; M593-Y648 PolarHBondContact SD-OH 2.66Å; F613-Y648 HydrophobicContact CD1-CE2 4.26Å; F613-Y648 AromaticContact CE1-CD2 3.74Å; F613-Y648 HydrophobicContact CE1-CD2 3.74Å; F613-Y648 AromaticContact CE1-CE2 3.72Å; F613-Y648 HydrophobicContact CE1-CE2 3.72Å; F613-Y648 HydrophobicContact CE2-CD2 4.48Å; F613-Y648 AromaticContact CZ-CD2 3.72Å; F613-Y648 HydrophobicContact CZ-CD2 3.72Å; F613-Y648 HydrophobicContact CZ-CE2 4.19Å; L643-Y648 PolarHBondContact N-O 2.86Å; A646-Y648 VanDerWaalsContact C-N 3.28Å; A646-Y648 HydrophobicContact CB-CD2 4.17Å; A646-Y648 WeakPolarHBondContact O-CD2 3.35Å; A646-Y648 WeakPolarHBondContact O-CE2 3.31Å; A646-Y648 PolarHBondContact O-N 3.47Å; Y648-C671 WeakPolarHBondContact CA-O 3.33Å
649V92.6Very high92.1Very high4 Ų445.3 Ų45.32%0.02425%0.245CC..EExtended strand (participates in β ladder)trans-115.2128.7171.3179.70000108.4P640 V641 C670 C671 A676 P679P640-V649 HydrophobicContact CB-CG1 3.8Å; V641-V649 WeakPolarHBondContact O-CA 3.49Å; V649-C670 CarbonylContact O-C 3.27Å; V649-C670 VanDerWaalsContact O-CA 3.28Å; V649-C670 WeakPolarHBondContact O-CA 3.27Å; V649-C671 PolarHBondContact N-O 2.88Å; V649-C671 PolarHBondContact O-N 3.1Å; V649-A676 HydrophobicContact CB-CB 3.96Å; V649-A676 HydrophobicContact CG1-CB 4.44Å; V649-A676 HydrophobicContact CG2-CB 3.92Å; V649-P679 HydrophobicContact CG1-CB 4.23Å; V649-P679 HydrophobicContact CG2-CG 3.92Å
650I93.8Very high91.9Very high0 Ų053.2 Ų53.20%028%0.282CS..EExtended strand (participates in β ladder)trans-106.8143.1-177.962.5170.1000112.3V582 L635 P640 V641 L643 V668 T669 C670V582-I650 HydrophobicContact CG1-CD1 4.45Å; L635-I650 HydrophobicContact CD1-CG1 4.4Å; L635-I650 HydrophobicContact CD2-CD1 4.16Å; P640-I650 VanDerWaalsContact CA-O 3.25Å; P640-I650 WeakPolarHBondContact CA-O 3.34Å; P640-I650 WeakPolarHBondContact CB-O 3.33Å; V641-I650 HydrophobicContact CG1-CD1 4.04Å; V641-I650 HydrophobicContact CG1-CG1 3.68Å; V641-I650 PolarHBondContact N-O 3.09Å; V641-I650 PolarHBondContact O-N 3.18Å; L643-I650 HydrophobicContact CD1-CG2 3.87Å; L643-I650 HydrophobicContact CD2-CD1 3.96Å; L643-I650 HydrophobicContact CD2-CG1 4.4Å; L643-I650 HydrophobicContact CG-CD1 4.42Å; L643-I650 HydrophobicContact CG-CG1 4.47Å; L643-I650 HydrophobicContact CG-CG2 4.11Å; I650-V668 HydrophobicContact CB-CB 4.28Å; I650-V668 HydrophobicContact CB-CG2 4.08Å; I650-V668 HydrophobicContact CG2-CG2 4.15Å; I650-T669 CarbonylContact C-O 3.57Å; I650-T669 VanDerWaalsContact CA-O 3.27Å; I650-T669 WeakPolarHBondContact CA-O 3.43Å; I650-C670 HydrophobicContact CG2-CB 4.08Å
651S93.6Very high91.5Very high45 Ų4553.1 Ų53.132%0.31529%0.289SS..EExtended strand (participates in β ladder)trans-128.1135.5177.7-60.80000110.5V668 T669S651-V668 CarbonylContact O-C 3.52Å; S651-V668 WeakPolarHBondContact O-CA 3.3Å; S651-V668 VanDerWaalsContact O-CB 3.25Å; S651-V668 WeakPolarHBondContact O-CB 3.36Å; S651-T669 PolarHBondContact N-O 2.85Å; S651-T669 PolarHBondContact O-N 2.95Å
652V94.4Very high91.3Very high24 Ų2459.2 Ų59.215%0.14532%0.315CS..EExtended strand (participates in β ladder)trans-72.3129.4-178.2179.40000111F624 L635 V655 V668F624-V652 HydrophobicContact CD2-CG2 4.36Å; F624-V652 HydrophobicContact CE2-CG2 4.02Å; L635-V652 HydrophobicContact CD1-CG2 3.74Å; L635-V652 HydrophobicContact CD2-CG2 3.73Å; L635-V652 HydrophobicContact CG-CG2 3.58Å; V652-V655 HydrophobicContact CG1-CG2 3.9Å; V652-V668 HydrophobicContact CG2-CG1 4.42Å
653Q92.8Very high91.1Very high114 Ų11460 Ų6053%0.53332%0.32SS..EExtended strand (participates in β ladder)trans-101.7-43.8169.4-67-164.6-43.300111.7T585 E667 T669T585-Q653 PolarHBondContact OG1-OE1 3.16Å; Q653-E667 PolarHBondContact N-O 3.26Å; Q653-T669 HydrophobicContact CG-CG2 4.01Å
654K92.8Very high91.1Very high113 Ų11363 Ų6349%0.49134%0.338SS..EExtended strand (participates in β ladder)trans-146.8139.5-174.7-168.6-177.3174.4-170.60110.9E667K654-E667 HydrophobicContact CB-CB 4.08Å; K654-E667 WeakPolarHBondContact CD-OE2 3.44Å; K654-E667 PolarHBondContact N-O 2.98Å; K654-E667 VanDerWaalsContact N-O 3.15Å; K654-E667 PolarHBondContact O-N 2.99Å
655V94.1Very high91.3Very high42 Ų4261.6 Ų61.626%0.25533%0.334SS..EExtended strand (participates in β ladder)trans-107.3121176.1-174.90000108.1F624 V652 K657 V663 L666F624-V655 HydrophobicContact CE1-CG1 4.1Å; F624-V655 HydrophobicContact CE1-CG2 4.42Å; F624-V655 HydrophobicContact CE2-CG2 4.43Å; F624-V655 HydrophobicContact CZ-CG1 4.17Å; F624-V655 HydrophobicContact CZ-CG2 3.67Å; V652-V655 HydrophobicContact CG1-CG2 3.9Å; V655-K657 HydrophobicContact CG1-CG 4.44Å; V655-V663 HydrophobicContact CG1-CB 4.38Å; V655-V663 HydrophobicContact CG1-CG1 3.68Å; V655-V663 HydrophobicContact CG1-CG2 3.84Å; V655-L666 HydrophobicContact CB-CD2 4.27Å; V655-L666 HydrophobicContact CG1-CD2 3.97Å; V655-L666 HydrophobicContact CG2-CD2 4.04Å
656I93.4Very high91.5Very high48 Ų4858.5 Ų58.525%0.24632%0.32CS..EExtended strand (participates in β ladder)trans-101.7125.4178.6-55.4176.6000108.3V664 E665 E667I656-V664 HydrophobicContact CG2-CG2 4.06Å; I656-V664 WeakPolarHBondContact O-CG2 3.48Å; I656-V664 PolarHBondContact O-N 3.17Å; I656-E665 WeakPolarHBondContact CA-O 3.44Å; I656-E665 HydrophobicContact CB-CB 4.11Å; I656-E665 WeakPolarHBondContact CB-O 3.48Å; I656-E665 HydrophobicContact CD1-CB 4.14Å; I656-E665 HydrophobicContact CD1-CG 4.07Å; I656-E665 PolarHBondContact N-O 3.48Å; I656-E665 PolarHBondContact O-N 3Å; I656-E667 HydrophobicContact CD1-CG 4.18Å
657K92.8Very high91.9Very high98 Ų9860.5 Ų60.543%0.42633%0.327SS..EExtended strand (participates in β ladder)trans-113.4150.8-179.4-60.6-176.9-178-164.90110.9E626 V655 K662 V663E626-K657 WeakPolarHBondContact OE1-CE 3.31Å; E626-K657 IonicContact OE1-NZ 2.97Å; E626-K657 PolarHBondContact OE1-NZ 3.4Å; E626-K657 IonicContact OE2-NZ 3.79Å; E626-K657 PolarHBondContact OE2-NZ 3.22Å; V655-K657 HydrophobicContact CG1-CG 4.44Å; K657-K662 CarbonylContact C-O 3.38Å; K657-K662 VanDerWaalsContact CA-O 3.26Å; K657-K662 WeakPolarHBondContact CA-O 3.49Å; K657-V663 HydrophobicContact CG-CG2 4.37Å
658D91.6Very high92.3Very high57 Ų5759 Ų5931%0.30531%0.312SS..  trans-78.8-179.9168.167.917000112.3Q660 G661 K662 V664D658-Q660 PolarHBondContact O-N 3.41Å; D658-Q660 VanDerWaalsContact OD1-C 3.31Å; D658-Q660 WeakPolarHBondContact OD1-CA 3.47Å; D658-Q660 PolarHBondContact OD1-N 2.76Å; D658-G661 PolarHBondContact O-N 3.26Å; D658-G661 PolarHBondContact OD1-N 2.69Å; D658-K662 PolarHBondContact N-O 3.38Å; D658-K662 PolarHBondContact OD1-N 2.84Å; D658-K662 WeakPolarHBondContact OD2-CB 3.39Å; D658-V664 HydrophobicContact CB-CG1 3.84Å
659S89.9Confident92.4Very high130 Ų13058.6 Ų58.691%0.90931%0.314SS*.THydrogen-bonded Turntrans-64-14.8177.754.60000114.3
660Q87.8Confident92.2Very high177 Ų17758.8 Ų58.883%0.82732%0.316SS*.THydrogen-bonded Turntrans-991.6175.9-62.3-165.8-10.700112.5D658 K662D658-Q660 PolarHBondContact O-N 3.41Å; D658-Q660 VanDerWaalsContact OD1-C 3.31Å; D658-Q660 WeakPolarHBondContact OD1-CA 3.47Å; D658-Q660 PolarHBondContact OD1-N 2.76Å; Q660-K662 VanDerWaalsContact C-N 3.33Å
661G84.7Confident91.9Very high42 Ų4261.8 Ų61.843%0.43334%0.336SS..SBendtrans81.17.4-179.500000114.4D658D658-G661 PolarHBondContact O-N 3.26Å; D658-G661 PolarHBondContact OD1-N 2.69Å
662K88.5Confident91.6Very high129 Ų12961.7 Ų61.756%0.56134%0.336SS*.  trans-77.9137.5173.8-173.4-177.1178-176.80109.5K657 D658 Q660 V664K657-K662 CarbonylContact C-O 3.38Å; K657-K662 VanDerWaalsContact CA-O 3.26Å; K657-K662 WeakPolarHBondContact CA-O 3.49Å; D658-K662 PolarHBondContact N-O 3.38Å; D658-K662 PolarHBondContact OD1-N 2.84Å; D658-K662 WeakPolarHBondContact OD2-CB 3.39Å; Q660-K662 VanDerWaalsContact C-N 3.33Å; K662-V664 PolarHBondContact O-N 3.19Å
663V91.8Very high90.9Very high15 Ų1562.8 Ų62.89%0.09134%0.344CS..EExtended strand (participates in β ladder)trans-74.1119.6178.5-177.80000109.2L580 Q621 F624 V655 K657 L666L580-V663 HydrophobicContact CD1-CG1 4.04Å; L580-V663 HydrophobicContact CD2-CG1 4.49Å; Q621-V663 PolarHBondContact NE2-O 2.83Å; Q621-V663 VanDerWaalsContact NE2-O 3.12Å; F624-V663 HydrophobicContact CD1-CG1 4.11Å; F624-V663 HydrophobicContact CE1-CB 4.49Å; F624-V663 HydrophobicContact CE1-CG1 3.97Å; F624-V663 HydrophobicContact CE1-CG2 4.05Å; V655-V663 HydrophobicContact CG1-CB 4.38Å; V655-V663 HydrophobicContact CG1-CG1 3.68Å; V655-V663 HydrophobicContact CG1-CG2 3.84Å; K657-V663 HydrophobicContact CG-CG2 4.37Å; V663-L666 HydrophobicContact CG1-CD2 3.8Å; V663-L666 HydrophobicContact CG1-CG 4.49Å
664V93Very high90.2Very high65 Ų6565.9 Ų65.939%0.39436%0.359SS..EExtended strand (participates in β ladder)trans-110.6-29.6-175.5-680000113.4I656 D658 K662I656-V664 HydrophobicContact CG2-CG2 4.06Å; I656-V664 WeakPolarHBondContact O-CG2 3.48Å; I656-V664 PolarHBondContact O-N 3.17Å; D658-V664 HydrophobicContact CB-CG1 3.84Å; K662-V664 PolarHBondContact O-N 3.19Å
665E95.1Very high89.5Confident39 Ų3966 Ų6618%0.18237%0.369CS..EExtended strand (participates in β ladder)trans-149.7144.3180-179.8166-178.100110.9K581 T583 I656K581-E665 HydrophobicContact CB-CG 4.44Å; K581-E665 HydrophobicContact CD-CG 4.28Å; K581-E665 WeakPolarHBondContact CE-OE1 3.34Å; K581-E665 HydrophobicContact CG-CG 4.32Å; K581-E665 IonicContact NZ-OE1 3.05Å; K581-E665 PolarHBondContact NZ-OE1 3.39Å; K581-E665 IonicContact NZ-OE2 2.82Å; K581-E665 PolarHBondContact NZ-OE2 3.04Å; K581-E665 CarbonylContact O-C 3.54Å; K581-E665 VanDerWaalsContact O-CA 3.32Å; K581-E665 WeakPolarHBondContact O-CA 3.48Å; T583-E665 PolarHBondContact OG1-OE1 3.27Å; I656-E665 WeakPolarHBondContact CA-O 3.44Å; I656-E665 HydrophobicContact CB-CB 4.11Å; I656-E665 WeakPolarHBondContact CB-O 3.48Å; I656-E665 HydrophobicContact CD1-CB 4.14Å; I656-E665 HydrophobicContact CD1-CG 4.07Å; I656-E665 PolarHBondContact N-O 3.48Å; I656-E665 PolarHBondContact O-N 3Å
666L95Very high88.7Confident0 Ų065.1 Ų65.10%037%0.366CS..EExtended strand (participates in β ladder)trans-115.9131.2172.2-59.4178.5000109.9L580 K581 V582 T583 I619 F624 L635 V655 V663 V668L580-L666 HydrophobicContact CD2-CD1 3.63Å; L580-L666 HydrophobicContact CD2-CG 3.95Å; L580-L666 HydrophobicContact CG-CD1 4.36Å; L580-L666 HydrophobicContact CG-CG 4.34Å; K581-L666 PolarHBondContact O-N 2.91Å; V582-L666 CarbonylContact C-O 3.59Å; V582-L666 WeakPolarHBondContact CA-O 3.43Å; V582-L666 HydrophobicContact CG2-CB 4.3Å; V582-L666 HydrophobicContact CG2-CD1 4.38Å; T583-L666 PolarHBondContact N-O 3.39Å; I619-L666 HydrophobicContact CD1-CD1 4.49Å; F624-L666 HydrophobicContact CB-CD1 4.01Å; F624-L666 HydrophobicContact CD1-CD1 4.24Å; F624-L666 HydrophobicContact CD1-CD2 4.12Å; F624-L666 HydrophobicContact CD2-CD1 3.71Å; F624-L666 HydrophobicContact CD2-CD2 4.28Å; F624-L666 HydrophobicContact CE1-CD2 3.9Å; F624-L666 HydrophobicContact CE2-CD1 4.26Å; F624-L666 HydrophobicContact CE2-CD2 4.07Å; F624-L666 HydrophobicContact CG-CD1 3.7Å; F624-L666 HydrophobicContact CG-CD2 4.31Å; F624-L666 HydrophobicContact CZ-CD2 3.87Å; L635-L666 HydrophobicContact CD2-CD1 3.85Å; V655-L666 HydrophobicContact CB-CD2 4.27Å; V655-L666 HydrophobicContact CG1-CD2 3.97Å; V655-L666 HydrophobicContact CG2-CD2 4.04Å; V663-L666 HydrophobicContact CG1-CD2 3.8Å; V663-L666 HydrophobicContact CG1-CG 4.49Å; L666-V668 HydrophobicContact CB-CG1 4.2Å
667E95.3Very high88Confident54 Ų5471.5 Ų71.525%0.25240%0.395SS..EExtended strand (participates in β ladder)trans-95.6125.8165.1-62.8174.9-178.600108.4T583 T585 Q653 K654 I656T583-E667 WeakPolarHBondContact O-CA 3.26Å; T585-E667 HydrophobicContact CG2-CB 4.01Å; T585-E667 HydrophobicContact CG2-CG 4.46Å; Q653-E667 PolarHBondContact N-O 3.26Å; K654-E667 HydrophobicContact CB-CB 4.08Å; K654-E667 WeakPolarHBondContact CD-OE2 3.44Å; K654-E667 PolarHBondContact N-O 2.98Å; K654-E667 VanDerWaalsContact N-O 3.15Å; K654-E667 PolarHBondContact O-N 2.99Å; I656-E667 HydrophobicContact CD1-CG 4.18Å
668V94.9Very high87.6Confident0 Ų075.8 Ų75.80%041%0.413CS..EExtended strand (participates in β ladder)trans-130.3156.7-174.6-55.40000111.2V582 T583 I584 T585 I650 S651 V652 L666V582-V668 HydrophobicContact CG1-CB 4.22Å; V582-V668 HydrophobicContact CG1-CG1 3.7Å; V582-V668 HydrophobicContact CG1-CG2 3.41Å; V582-V668 VanDerWaalsContact CG1-CG2 3.41Å; T583-V668 PolarHBondContact O-N 3.08Å; I584-V668 CarbonylContact C-O 2.98Å; I584-V668 WeakPolarHBondContact CA-O 3.38Å; I584-V668 HydrophobicContact CB-CG2 4.37Å; I584-V668 HydrophobicContact CG1-CG2 3.8Å; T585-V668 PolarHBondContact N-O 2.95Å; T585-V668 PolarHBondContact OG1-O 3.04Å; I650-V668 HydrophobicContact CB-CB 4.28Å; I650-V668 HydrophobicContact CB-CG2 4.08Å; I650-V668 HydrophobicContact CG2-CG2 4.15Å; S651-V668 CarbonylContact O-C 3.52Å; S651-V668 WeakPolarHBondContact O-CA 3.3Å; S651-V668 VanDerWaalsContact O-CB 3.25Å; S651-V668 WeakPolarHBondContact O-CB 3.36Å; V652-V668 HydrophobicContact CG2-CG1 4.42Å; L666-V668 HydrophobicContact CB-CG1 4.2Å
669T92.3Very high87.5Confident34 Ų3473.7 Ų73.721%0.20940%0.403CS..EExtended strand (participates in β ladder)trans-102.8147.8162.241.80000110.4N586 I650 S651 Q653N586-T669 HydrophobicContact CB-CG2 4.23Å; N586-T669 WeakPolarHBondContact OD1-CA 3.23Å; I650-T669 CarbonylContact C-O 3.57Å; I650-T669 VanDerWaalsContact CA-O 3.27Å; I650-T669 WeakPolarHBondContact CA-O 3.43Å; S651-T669 PolarHBondContact N-O 2.85Å; S651-T669 PolarHBondContact O-N 2.95Å; Q653-T669 HydrophobicContact CG-CG2 4.01Å
670C89.5Confident87.3Confident8 Ų873.9 Ų73.95%0.05439%0.388CS..EExtended strand (participates in β ladder)trans-112.3142.4173720000112.6I584 N586 V649 I650I584-C670 HydrophobicContact CG2-CB 3.89Å; N586-C670 PolarHBondContact ND2-O 3.38Å; N586-C670 PolarHBondContact OD1-N 2.7Å; N586-C670 PolarHBondContact OD1-SG 2.76Å; V649-C670 CarbonylContact O-C 3.27Å; V649-C670 VanDerWaalsContact O-CA 3.28Å; V649-C670 WeakPolarHBondContact O-CA 3.27Å; I650-C670 HydrophobicContact CG2-CB 4.08Å
671C87.2Confident87.5Confident63 Ų6366.5 Ų66.543%0.42636%0.357SS..EExtended strand (participates in β ladder)trans-121.1150.9168.7-66.10000109.6Y648 V649 S673 A676Y648-C671 WeakPolarHBondContact CA-O 3.33Å; V649-C671 PolarHBondContact N-O 2.88Å; V649-C671 PolarHBondContact O-N 3.1Å; C671-S673 PolarHBondContact O-N 3.4Å; C671-A676 HydrophobicContact CB-CB 4Å
672S86Confident88Confident44 Ų4468.8 Ų68.831%0.30836%0.355SS..EExtended strand (participates in β ladder)trans-61.3136.7172.2170.30000109.7E674 T675 A676S672-E674 PolarHBondContact O-N 3.41Å; S672-E674 VanDerWaalsContact O-N 3.12Å; S672-E674 PolarHBondContact OG-N 3.49Å; S672-T675 PolarHBondContact O-N 3.48Å; S672-T675 PolarHBondContact O-OG1 3.47Å; S672-A676 WeakPolarHBondContact O-CB 3.4Å; S672-A676 PolarHBondContact O-N 3.27Å
673S79.6Confident88.3Confident47 Ų4762.7 Ų62.733%0.32933%0.328SS..THydrogen-bonded Turntrans-61.5-19179.557.50000113.9G647 C671G647-S673 WeakPolarHBondContact O-CB 3.26Å; G647-S673 PolarHBondContact O-N 3.28Å; G647-S673 PolarHBondContact O-OG 3.01Å; G647-S673 VanDerWaalsContact O-OG 3.1Å; C671-S673 PolarHBondContact O-N 3.4Å
674E79.4Confident88.5Confident178 Ų17862 Ų6283%0.83233%0.325SS*.THydrogen-bonded Turntrans-76.5-30.5175.1-62.6179.217500112.4S672S672-E674 PolarHBondContact O-N 3.41Å; S672-E674 VanDerWaalsContact O-N 3.12Å; S672-E674 PolarHBondContact OG-N 3.49Å
675T78.1Confident88.6Confident115 Ų11559 Ų5971%0.70631%0.306SS*.THydrogen-bonded Turntrans-97.7-24.2-177.853.60000113.4S672S672-T675 PolarHBondContact O-N 3.48Å; S672-T675 PolarHBondContact O-OG1 3.47Å
676A76.3Confident88.6Confident24 Ų2457.1 Ų57.120%0.19830%0.297CS..SBendtrans-80.7150.5-17800000111.5V649 C671 S672 K678V649-A676 HydrophobicContact CB-CB 3.96Å; V649-A676 HydrophobicContact CG1-CB 4.44Å; V649-A676 HydrophobicContact CG2-CB 3.92Å; C671-A676 HydrophobicContact CB-CB 4Å; S672-A676 WeakPolarHBondContact O-CB 3.4Å; S672-A676 PolarHBondContact O-N 3.27Å; A676-K678 PolarHBondContact O-N 3.17Å
677E80Confident88.5Confident183 Ų18357.1 Ų57.186%0.85530%0.297SS*.PPolyproline II helixtrans-60137.1168.5-163.2178.1-178.400109.6P679E677-P679 WeakPolarHBondContact O-CD 3.35Å; E677-P679 VanDerWaalsContact O-N 3.09Å
678K84Confident88.3Confident187 Ų18759.2 Ų59.281%0.81331%0.307SS*.PPolyproline II helixtrans-57.7117.2-171.9-174.1175.4-178.21750110.3A676A676-K678 PolarHBondContact O-N 3.17Å
679P88.3Confident88.2Confident14 Ų1460.6 Ų60.69%0.09132%0.316CS..PPolyproline II helixtrans-68.8154.3-176.229.7-36.7000110.9V649 E677 A681 F682V649-P679 HydrophobicContact CG1-CB 4.23Å; V649-P679 HydrophobicContact CG2-CG 3.92Å; E677-P679 WeakPolarHBondContact O-CD 3.35Å; E677-P679 VanDerWaalsContact O-N 3.09Å; P679-A681 VanDerWaalsContact C-N 3.26Å; P679-A681 PolarHBondContact O-N 2.89Å; P679-F682 HydrophobicContact CG-CD2 4.47Å; P679-F682 HydrophobicContact CG-CE1 4.19Å; P679-F682 HydrophobicContact CG-CE2 3.84Å; P679-F682 HydrophobicContact CG-CZ 3.68Å
680K87.6Confident88.3Confident133 Ų13361.2 Ų61.258%0.57832%0.318SS*.SBendtrans-70.4-22-179.9-63.5-170.7-167.6163.60113.4K633 Q639K633-K680 HydrophobicContact CB-CB 4.23Å; Q639-K680 VanDerWaalsContact OE1-CD 3.25Å; Q639-K680 VanDerWaalsContact OE1-CE 3.29Å
681A91.9Very high88.5Confident22 Ų2265.4 Ų65.418%0.18234%0.343CS..  trans-153.4159.7177.200000111.7K633 V641 G642 P679K633-A681 HydrophobicContact CB-CB 4.05Å; K633-A681 VanDerWaalsContact O-CB 3.28Å; K633-A681 WeakPolarHBondContact O-CB 3.48Å; V641-A681 HydrophobicContact CG2-CB 4.49Å; V641-A681 WeakPolarHBondContact CG2-O 3.4Å; G642-A681 PolarHBondContact N-O 3.42Å; P679-A681 VanDerWaalsContact C-N 3.26Å; P679-A681 PolarHBondContact O-N 2.89Å
682F93.7Very high88.9Confident91 Ų9162.6 Ų62.640%0.39932%0.324SS..EExtended strand (participates in β ladder)trans-113.5133.4167.3-70.9-96.9000109.4G642 R644 P679G642-F682 CarbonylContact O-C 3.59Å; G642-F682 VanDerWaalsContact O-CA 3.23Å; G642-F682 WeakPolarHBondContact O-CA 3.42Å; R644-F682 HydrophobicContact CB-CB 4.47Å; P679-F682 HydrophobicContact CG-CD2 4.47Å; P679-F682 HydrophobicContact CG-CE1 4.19Å; P679-F682 HydrophobicContact CG-CE2 3.84Å; P679-F682 HydrophobicContact CG-CZ 3.68Å
683I95.3Very high89.4Confident0 Ų061.6 Ų61.60%031%0.314CS..EExtended strand (participates in β ladder)trans-112.8154.5179.561.9171.1000110.8I619 D623 R634 V641 G642 L643 R644I619-I683 HydrophobicContact CB-CD1 4.14Å; I619-I683 HydrophobicContact CD1-CD1 4.12Å; I619-I683 HydrophobicContact CG2-CD1 3.9Å; D623-I683 HydrophobicContact CB-CD1 4.14Å; D623-I683 HydrophobicContact CB-CG2 4.24Å; R634-I683 HydrophobicContact CB-CG2 4.33Å; R634-I683 HydrophobicContact CG-CG2 3.98Å; V641-I683 HydrophobicContact CG1-CD1 3.64Å; V641-I683 HydrophobicContact CG1-CG1 3.93Å; V641-I683 HydrophobicContact CG2-CB 4.47Å; V641-I683 HydrophobicContact CG2-CD1 4.34Å; V641-I683 HydrophobicContact CG2-CG1 4.08Å; V641-I683 HydrophobicContact CG2-CG2 3.74Å; G642-I683 PolarHBondContact O-N 3.46Å; L643-I683 HydrophobicContact CD2-CD1 4.47Å; L643-I683 HydrophobicContact CD2-CG1 4.16Å; R644-I683 WeakPolarHBondContact CB-O 3.24Å; R644-I683 PolarHBondContact N-O 3.21Å
684H95.1Very high90.2Very high2 Ų259.3 Ų59.31%0.00930%0.299CS..  trans-76.7158.217163.4-78.6000110M574 A575 E620 E749 R750M574-H684 HydrophobicContact CG-CB 4.28Å; M574-H684 HydrophobicContact SD-CB 4.43Å; A575-H684 PolarHBondContact O-CD2 2.85Å; A575-H684 PolarHBondContact O-NE2 2.89Å; E620-H684 VanDerWaalsContact CG-CE1 3.41Å; E620-H684 WeakPolarHBondContact CG-CE1 3.47Å; E620-H684 VanDerWaalsContact CG-NE2 3.3Å; E620-H684 WeakPolarHBondContact CG-NE2 3.32Å; E620-H684 IonicContact OE1-CE1 3.19Å; E620-H684 IonicContact OE1-NE2 2.64Å; E620-H684 PolarHBondContact OE1-NE2 3.11Å; H684-E749 HydrophobicContact CB-CB 4.34Å; H684-R750 PolarHBondContact CE1-NH1 2.66Å; H684-R750 VanDerWaalsContact CE1-NH1 3.29Å; H684-R750 PolarHBondContact ND1-NH1 3.17Å
685W95.7Very high90.9Very high0 Ų051.4 Ų51.40%026%0.261CS..  trans-153.2160.6-178.758.3-83000108.7M574 V595 V611 P612 F613 V617 F618 I619 L643 R644 A646M574-W685 WeakPolarHBondContact CB-O 3.42Å; M574-W685 HydrophobicContact CE-CD2 4.39Å; M574-W685 HydrophobicContact CE-CH2 4.36Å; M574-W685 HydrophobicContact CE-CZ2 4.01Å; M574-W685 WeakPolarHBondContact CE-O 3.43Å; V595-W685 HydrophobicContact CB-CH2 4.44Å; V595-W685 HydrophobicContact CB-CZ2 4.38Å; V595-W685 HydrophobicContact CG1-CZ2 4.4Å; V595-W685 HydrophobicContact CG2-CH2 4.16Å; V595-W685 HydrophobicContact CG2-CZ2 4.15Å; V611-W685 HydrophobicContact CG1-CH2 4.18Å; V611-W685 HydrophobicContact CG1-CZ3 4.32Å; P612-W685 WeakPolarHBondContact O-CZ3 3.47Å; F613-W685 HydrophobicContact CB-CH2 3.78Å; F613-W685 HydrophobicContact CB-CZ3 4.19Å; F613-W685 HydrophobicContact CD2-CD2 4.41Å; F613-W685 HydrophobicContact CD2-CE3 4.04Å; F613-W685 AromaticContact CD2-CH2 3.49Å; F613-W685 HydrophobicContact CD2-CH2 3.49Å; F613-W685 VanDerWaalsContact CD2-CH2 3.49Å; F613-W685 AromaticContact CD2-CZ2 3.84Å; F613-W685 HydrophobicContact CD2-CZ2 3.84Å; F613-W685 AromaticContact CD2-CZ3 3.59Å; F613-W685 HydrophobicContact CD2-CZ3 3.59Å; F613-W685 HydrophobicContact CG-CH2 4.12Å; F613-W685 HydrophobicContact CG-CZ3 4.37Å; V617-W685 HydrophobicContact CB-CE3 4.35Å; V617-W685 HydrophobicContact CG1-CE3 3.98Å; V617-W685 HydrophobicContact CG1-CZ3 4.49Å; F618-W685 CarbonylContact O-C 3.57Å; F618-W685 VanDerWaalsContact O-CA 3.26Å; F618-W685 WeakPolarHBondContact O-CA 3.33Å; I619-W685 HydrophobicContact CG2-CB 4.14Å; L643-W685 HydrophobicContact CB-CG 4.44Å; L643-W685 HydrophobicContact CD2-CB 4.15Å; L643-W685 HydrophobicContact CD2-CG 4.17Å; R644-W685 PolarHBondContact O-NE1 3.37Å; A646-W685 HydrophobicContact CB-CZ2 3.78Å
686V95.5Very high91.7Very high0 Ų046.7 Ų46.70%023%0.232CC..BIsolated β-bridgetrans-133.5144.4171.5-640000110M574 V576 V617 F618 P689 L732 D734M574-V686 HydrophobicContact CB-CG1 3.97Å; M574-V686 VanDerWaalsContact O-CG1 3.28Å; M574-V686 WeakPolarHBondContact O-CG1 3.42Å; V576-V686 HydrophobicContact CB-CG2 4.34Å; V576-V686 HydrophobicContact CG2-CG1 4.32Å; V576-V686 HydrophobicContact CG2-CG2 3.91Å; V617-V686 CarbonylContact C-O 3.53Å; V617-V686 WeakPolarHBondContact CA-O 3.46Å; F618-V686 HydrophobicContact CB-CG2 3.84Å; F618-V686 PolarHBondContact N-O 3.48Å; F618-V686 PolarHBondContact O-N 2.93Å; V686-P689 HydrophobicContact CB-CB 4.06Å; V686-P689 HydrophobicContact CG2-CB 3.8Å; V686-P689 HydrophobicContact CG2-CG 4.08Å; V686-L732 HydrophobicContact CG2-CB 3.86Å; V686-D734 HydrophobicContact CG1-CB 4.38Å
687S93.6Very high92.4Very high0 Ų046 Ų460%022%0.224CC..SBendtrans-132.1145.8172.3-164.80000109P612 T614 T616 P689P612-S687 VanDerWaalsContact O-CB 3.28Å; P612-S687 WeakPolarHBondContact O-CB 3.43Å; T614-S687 PolarHBondContact N-OG 3.34Å; T614-S687 PolarHBondContact OG1-OG 3.03Å; T616-S687 PolarHBondContact O-OG 2.89Å; S687-P689 VanDerWaalsContact C-CD 3.46Å; S687-P689 VanDerWaalsContact C-N 3.27Å
688Q91.3Very high92.9Very high98 Ų9841 Ų4146%0.45820%0.2SC..SBendtrans43.150.9-167.5-58.7-179.823.600112.9P612 T614P612-Q688 HydrophobicContact CG-CB 4.15Å; T614-Q688 HydrophobicContact CG2-CG 4.38Å
689P92.9Very high93.2Very high30 Ų3036.6 Ų36.620%0.19518%0.179CC..PPolyproline II helixtrans-72.6161.9-170.830.3-34.2000112.9F618 V686 S687 L732 V733F618-P689 HydrophobicContact CD2-CG 3.96Å; F618-P689 HydrophobicContact CE2-CG 4.11Å; V686-P689 HydrophobicContact CB-CB 4.06Å; V686-P689 HydrophobicContact CG2-CB 3.8Å; V686-P689 HydrophobicContact CG2-CG 4.08Å; S687-P689 VanDerWaalsContact C-CD 3.46Å; S687-P689 VanDerWaalsContact C-N 3.27Å; P689-L732 HydrophobicContact CB-CB 3.75Å; P689-L732 HydrophobicContact CB-CD2 4.33Å; P689-L732 HydrophobicContact CB-CG 4.42Å; P689-L732 HydrophobicContact CG-CB 3.9Å; P689-L732 HydrophobicContact CG-CD1 3.77Å; P689-L732 HydrophobicContact CG-CD2 3.93Å; P689-L732 HydrophobicContact CG-CG 4.07Å; P689-V733 CarbonylContact C-O 3.54Å; P689-V733 VanDerWaalsContact CA-O 3.32Å; P689-V733 WeakPolarHBondContact CA-O 3.28Å; P689-V733 WeakPolarHBondContact CB-O 3.35Å
690L93.1Very high93.3Very high46 Ų4636.2 Ų36.224%0.24118%0.176CC..EExtended strand (participates in β ladder)trans-86.2141.7163.1-57.2175.4000109.2L732 V733 V737 K738 L765L690-L732 WeakPolarHBondContact O-CA 3.47Å; L690-V733 HydrophobicContact CB-CG1 3.97Å; L690-V733 PolarHBondContact N-O 2.95Å; L690-V733 PolarHBondContact O-N 3.29Å; L690-V737 HydrophobicContact CD1-CG2 4.21Å; L690-K738 HydrophobicContact CD1-CB 4.03Å; L690-K738 HydrophobicContact CD1-CG 4.47Å; L690-L765 HydrophobicContact CB-CD1 4.5Å; L690-L765 HydrophobicContact CD1-CD1 4.15Å
691V94.9Very high93.4Very high97 Ų9730 Ų3059%0.58815%0.149SC*.EExtended strand (participates in β ladder)trans-84.2133.3174.1-177.50000109L732V691-L732 HydrophobicContact CG2-CD2 3.91Å
692C94.9Very high93.3Very high4 Ų433.6 Ų33.63%0.02717%0.165CC..EExtended strand (participates in β ladder)trans-139.5157.5177.5640000112.4A731 V733 L765 F767C692-A731 PolarHBondContact N-O 3.06Å; C692-A731 WeakPolarHBondContact O-CB 3.43Å; C692-A731 PolarHBondContact O-N 3.04Å; C692-A731 VanDerWaalsContact O-N 3.15Å; C692-V733 HydrophobicContact CB-CG1 4.23Å; C692-L765 WeakPolarHBondContact CA-O 3.25Å; C692-L765 HydrophobicContact CB-CB 3.83Å; C692-L765 WeakPolarHBondContact CB-O 3.05Å; C692-F767 HydrophobicContact CB-CD2 4.03Å; C692-F767 HydrophobicContact CB-CE2 4.12Å
693E95.9Very high93.1Very high22 Ų2233.4 Ų33.410%0.10317%0.165CC..EExtended strand (participates in β ladder)trans-90.7132.7167.4-176-178.5120.900108.8R695 V727 I728 K764 L765 V766 F767E693-R695 IonicContact OE1-CZ 2.99Å; E693-R695 IonicContact OE1-NE 3.31Å; E693-R695 PolarHBondContact OE1-NE 3.16Å; E693-R695 IonicContact OE1-NH2 3.9Å; E693-R695 PolarHBondContact OE1-NH2 2.95Å; E693-V727 HydrophobicContact CG-CG1 3.77Å; E693-I728 CarbonylContact C-O 3.49Å; E693-I728 VanDerWaalsContact CA-O 3.32Å; E693-I728 WeakPolarHBondContact CA-O 3.34Å; E693-K764 WeakPolarHBondContact OE2-CE 3.47Å; E693-K764 IonicContact OE2-NZ 3.78Å; E693-K764 PolarHBondContact OE2-NZ 2.78Å; E693-L765 PolarHBondContact N-O 3.21Å; E693-V766 HydrophobicContact CB-CG1 4.36Å; E693-V766 HydrophobicContact CB-CG2 4.24Å; E693-V766 HydrophobicContact CG-CG1 4.46Å; E693-V766 CarbonylContact O-C 3.34Å; E693-V766 WeakPolarHBondContact O-CA 3.46Å; E693-F767 PolarHBondContact O-N 2.74Å
694V96.4Very high92.8Very high0 Ų037 Ų370%018%0.181CC..EExtended strand (participates in β ladder)trans-120.4127.6175177.10000109.5L577 L696 I728 A731 F754 F767L577-V694 HydrophobicContact CD2-CB 3.99Å; L577-V694 HydrophobicContact CD2-CG1 3.8Å; L577-V694 HydrophobicContact CD2-CG2 3.75Å; V694-L696 HydrophobicContact CG1-CD2 3.73Å; V694-L696 HydrophobicContact CG1-CG 4.43Å; V694-I728 HydrophobicContact CB-CB 4.46Å; V694-I728 PolarHBondContact N-O 3.16Å; V694-I728 PolarHBondContact O-N 3.44Å; V694-A731 HydrophobicContact CB-CB 4.23Å; V694-A731 HydrophobicContact CG2-CB 3.58Å; V694-F754 HydrophobicContact CG1-CD1 4.02Å; V694-F754 HydrophobicContact CG1-CE1 3.46Å; V694-F754 VanDerWaalsContact CG1-CE1 3.46Å; V694-F754 HydrophobicContact CG1-CZ 4.4Å; V694-F767 CarbonylContact C-O 3.46Å; V694-F767 WeakPolarHBondContact CA-O 3.46Å; V694-F767 HydrophobicContact CG2-CB 4.29Å
695R95.3Very high92.5Very high12 Ų1240.6 Ų40.65%0.04520%0.197CC..EExtended strand (participates in β ladder)trans-105.5113.4178.6-60.1175.2-177.5170.3-2.3109.2L512 E693 Y697 L725 D757 D759 V766 F767 N768 R769L512-R695 HydrophobicContact CD1-CG 4.5Å; E693-R695 IonicContact OE1-CZ 2.99Å; E693-R695 IonicContact OE1-NE 3.31Å; E693-R695 PolarHBondContact OE1-NE 3.16Å; E693-R695 IonicContact OE1-NH2 3.9Å; E693-R695 PolarHBondContact OE1-NH2 2.95Å; R695-Y697 HydrophobicContact CB-CE2 3.75Å; R695-Y697 WeakPolarHBondContact CD-OH 3.5Å; R695-L725 HydrophobicContact CB-CD1 4.32Å; R695-D757 IonicContact NH1-OD1 2.84Å; R695-D757 PolarHBondContact NH1-OD1 3.3Å; R695-D757 IonicContact NH1-OD2 3.16Å; R695-D759 IonicContact CZ-OD2 3.67Å; R695-D759 VanDerWaalsContact CZ-OD2 3.29Å; R695-D759 IonicContact NH1-OD2 3.8Å; R695-D759 PolarHBondContact NH1-OD2 2.61Å; R695-D759 IonicContact NH2-OD2 2.71Å; R695-D759 PolarHBondContact NH2-OD2 2.83Å; R695-V766 HydrophobicContact CG-CG1 4.47Å; R695-F767 PolarHBondContact N-O 3.32Å; R695-N768 WeakPolarHBondContact CD-OD1 3.26Å; R695-R769 PolarHBondContact O-N 2.97Å
696L94.3Very high92.1Very high16 Ų1640.8 Ų40.88%0.08420%0.198CC..EExtended strand (participates in β ladder)trans-96.8117.4177.3-53.7-176.9000108.9L577 V694 L725 Q726 I728 F754 R769L577-L696 HydrophobicContact CD1-CD1 4.24Å; L577-L696 HydrophobicContact CD1-CD2 4.03Å; V694-L696 HydrophobicContact CG1-CD2 3.73Å; V694-L696 HydrophobicContact CG1-CG 4.43Å; L696-L725 WeakPolarHBondContact O-CA 3.32Å; L696-Q726 HydrophobicContact CB-CB 4.27Å; L696-Q726 PolarHBondContact N-O 3.34Å; L696-Q726 PolarHBondContact O-N 3.09Å; L696-I728 HydrophobicContact CD1-CD1 3.65Å; L696-I728 HydrophobicContact CG-CD1 4.19Å; L696-F754 HydrophobicContact CD2-CE1 4.01Å; L696-F754 HydrophobicContact CD2-CZ 4.29Å; L696-R769 HydrophobicContact CD2-CB 3.92Å; L696-R769 HydrophobicContact CD2-CG 4.45Å
697Y91.6Very high91.6Very high10 Ų1045.3 Ų45.34%0.03922%0.219CC..EExtended strand (participates in β ladder)trans-100.9138179.3-59.9-77.3000111.2P519 R520 R695 S724 L725 N768 R769P519-Y697 HydrophobicContact CB-CD1 4.22Å; P519-Y697 HydrophobicContact CB-CD2 3.89Å; P519-Y697 HydrophobicContact CB-CE1 3.97Å; P519-Y697 HydrophobicContact CB-CE2 3.67Å; P519-Y697 HydrophobicContact CB-CG 4.15Å; P519-Y697 HydrophobicContact CG-CD2 4.49Å; P519-Y697 HydrophobicContact CG-CE1 4.16Å; P519-Y697 HydrophobicContact CG-CE2 3.79Å; R520-Y697 HydrophobicContact CG-CD1 3.53Å; R520-Y697 HydrophobicContact CG-CE1 4.28Å; R520-Y697 HydrophobicContact CG-CG 4.26Å; R695-Y697 HydrophobicContact CB-CE2 3.75Å; R695-Y697 WeakPolarHBondContact CD-OH 3.5Å; Y697-S724 WeakPolarHBondContact CA-O 3.31Å; Y697-L725 HydrophobicContact CD1-CD1 3.92Å; Y697-L725 HydrophobicContact CE1-CD1 3.65Å; Y697-N768 HydrophobicContact CE2-CB 3.81Å; Y697-N768 PolarHBondContact OH-OD1 3.29Å; Y697-R769 PolarHBondContact O-NH2 3.3Å
698E89Confident91.3Very high76 Ų7648.3 Ų48.336%0.35524%0.235SC..  trans-119.3175.8169.1-67.5-66.9164.800109.4L700 S724 R769E698-L700 PolarHBondContact O-N 3.47Å; E698-S724 PolarHBondContact N-O 2.91Å; E698-R769 IonicContact OE1-CZ 2.75Å; E698-R769 IonicContact OE1-NH2 3.35Å; E698-R769 PolarHBondContact OE1-NH2 3.29Å
699R90.2Very high91.1Very high96 Ų9648.4 Ų48.436%0.36224%0.244SC..  trans-55.8134178.5-63.4-179.5-175.5163.82.4110.7N721R699-N721 VanDerWaalsContact O-CB 3.3Å; R699-N721 WeakPolarHBondContact O-CB 3.19Å; R699-N721 PolarHBondContact O-ND2 3.44Å
700L90.4Very high90.9Very high5 Ų552.3 Ų52.33%0.02627%0.272CS..SBendtrans-69.8-39-179.8-17659000112.5L504 V509 R520 L521 E698 I720 N721L504-L700 HydrophobicContact CD1-CD2 4.4Å; V509-L700 HydrophobicContact CG1-CD1 4.26Å; R520-L700 HydrophobicContact CB-CB 4.21Å; R520-L700 HydrophobicContact CB-CD1 4.49Å; L521-L700 HydrophobicContact CD2-CD2 3.99Å; E698-L700 PolarHBondContact O-N 3.47Å; L700-I720 HydrophobicContact CD1-CG2 4.44Å; L700-N721 PolarHBondContact O-N 3.41Å
701F91.3Very high90.6Very high4 Ų453.7 Ų53.72%0.01828%0.278CS..BIsolated β-bridgetrans-107.5144-178.7-65.2-74.2000110.4Y493 V495 L504 P706 F716 D719Y493-F701 WeakPolarHBondContact O-CD2 3.37Å; V495-F701 HydrophobicContact CB-CE2 4.22Å; V495-F701 HydrophobicContact CB-CZ 4.24Å; V495-F701 HydrophobicContact CG2-CE1 4.38Å; V495-F701 HydrophobicContact CG2-CE2 3.75Å; V495-F701 HydrophobicContact CG2-CZ 3.62Å; L504-F701 HydrophobicContact CD1-CZ 4.17Å; F701-P706 HydrophobicContact CB-CB 4.04Å; F701-P706 HydrophobicContact CB-CG 4.25Å; F701-P706 HydrophobicContact CD1-CB 3.57Å; F701-P706 HydrophobicContact CD1-CG 4.2Å; F701-P706 HydrophobicContact CD2-CB 4.34Å; F701-P706 HydrophobicContact CD2-CG 4.07Å; F701-P706 HydrophobicContact CE1-CB 4.08Å; F701-P706 HydrophobicContact CE2-CG 4.49Å; F701-P706 HydrophobicContact CG-CB 3.71Å; F701-P706 HydrophobicContact CG-CG 3.9Å; F701-F716 HydrophobicContact CE1-CD2 4.2Å; F701-F716 WeakPolarHBondContact CE1-O 3.39Å; F701-F716 HydrophobicContact CZ-CD2 4.3Å; F701-D719 WeakPolarHBondContact CA-O 3.34Å; F701-D719 HydrophobicContact CD1-CB 4.15Å
702L88.4Confident90.2Very high97 Ų9749.4 Ų49.451%0.50825%0.252SS..SBendtrans-78-39.3178.1-61.6167.6000111.1D719 N721L702-D719 WeakPolarHBondContact CB-OD1 3.34Å; L702-D719 PolarHBondContact N-O 2.95Å; L702-D719 PolarHBondContact N-OD2 3.41Å; L702-N721 HydrophobicContact CD2-CB 3.72Å; L702-N721 HydrophobicContact CG-CB 4.13Å
703H90.7Very high89.7Confident87 Ų8754.9 Ų54.940%0.40329%0.287SS..SBendtrans-96157.1-176.1-66.186.6000113.2Y493 H705 V712 D719Y493-H703 WeakPolarHBondContact CD1-O 3.23Å; H703-H705 VanDerWaalsContact C-N 3.34Å; H703-V712 HydrophobicContact CB-CG2 4.34Å; H703-D719 IonicContact CE1-OD1 3.83Å; H703-D719 IonicContact CG-OD1 3.21Å; H703-D719 PolarHBondContact N-OD1 2.95Å; H703-D719 PolarHBondContact N-OD2 3.39Å; H703-D719 IonicContact ND1-OD1 3.38Å; H703-D719 PolarHBondContact ND1-OD1 3.05Å; H703-D719 IonicContact ND1-OD2 3.55Å
704K88.4Confident89.1Confident76 Ų7656.9 Ų56.933%0.3331%0.313SS..SBendtrans-67.9-36.9-178-171.1171.6176.1159.30111.2T492 Y493 E554 P706T492-K704 WeakPolarHBondContact CB-O 3.27Å; T492-K704 HydrophobicContact CG2-CD 4.28Å; T492-K704 HydrophobicContact CG2-CG 3.66Å; Y493-K704 HydrophobicContact CE1-CB 4.17Å; Y493-K704 HydrophobicContact CE2-CB 4.25Å; Y493-K704 HydrophobicContact CE2-CG 4.01Å; Y493-K704 PolarHBondContact N-O 2.95Å; E554-K704 WeakPolarHBondContact OE1-CE 3.45Å; E554-K704 IonicContact OE1-NZ 3.74Å; E554-K704 PolarHBondContact OE1-NZ 3.39Å; K704-P706 WeakPolarHBondContact O-CD 3.38Å
705H88.7Confident88.6Confident76 Ų7658.4 Ų58.435%0.35233%0.33SS..  trans-121.178179.5-61.1-68.9000110.8H703 E707 D708 E711H703-H705 VanDerWaalsContact C-N 3.34Å; H705-E707 PolarHBondContact O-N 2.99Å; H705-D708 HydrophobicContact CB-CB 3.92Å; H705-D708 WeakPolarHBondContact O-CB 3.5Å; H705-D708 PolarHBondContact O-N 3.3Å; H705-E711 IonicContact CD2-OE1 2.74Å; H705-E711 PolarHBondContact N-OE2 3.48Å
706P86.9Confident88.2Confident4 Ų458.9 Ų58.93%0.02633%0.332CS..THydrogen-bonded Turntrans-64.7-15.7-175.126.7-36.1000113.9V495 F701 K704 F716V495-P706 HydrophobicContact CG2-CB 4.49Å; V495-P706 HydrophobicContact CG2-CG 3.91Å; F701-P706 HydrophobicContact CB-CB 4.04Å; F701-P706 HydrophobicContact CB-CG 4.25Å; F701-P706 HydrophobicContact CD1-CB 3.57Å; F701-P706 HydrophobicContact CD1-CG 4.2Å; F701-P706 HydrophobicContact CD2-CB 4.34Å; F701-P706 HydrophobicContact CD2-CG 4.07Å; F701-P706 HydrophobicContact CE1-CB 4.08Å; F701-P706 HydrophobicContact CE2-CG 4.49Å; F701-P706 HydrophobicContact CG-CB 3.71Å; F701-P706 HydrophobicContact CG-CG 3.9Å; K704-P706 WeakPolarHBondContact O-CD 3.38Å; P706-F716 HydrophobicContact CB-CB 4.47Å; P706-F716 VanDerWaalsContact O-CA 3.23Å; P706-F716 WeakPolarHBondContact O-CA 3.37Å; P706-F716 WeakPolarHBondContact O-CB 3.45Å
707E85.9Confident87.9Confident96 Ų9660.6 Ų60.645%0.44934%0.341SS..THydrogen-bonded Turntrans-91.4-10178-59.2-175.4102.200113.4V495 K500 H705 P709V495-E707 HydrophobicContact CG2-CG 3.93Å; K500-E707 WeakPolarHBondContact CD-OE1 3.45Å; K500-E707 WeakPolarHBondContact CE-OE1 3.02Å; K500-E707 IonicContact NZ-OE1 3.58Å; K500-E707 PolarHBondContact NZ-OE1 2.96Å; H705-E707 PolarHBondContact O-N 2.99Å; E707-P709 VanDerWaalsContact O-CD 3.32Å; E707-P709 WeakPolarHBondContact O-CD 3.45Å
708D87.4Confident87.7Confident63 Ų6363.7 Ų63.734%0.33736%0.364SS..  trans-78.9116.5-178.3-168.5-22.2000110.3H705 S710 E711 V712H705-D708 HydrophobicContact CB-CB 3.92Å; H705-D708 WeakPolarHBondContact O-CB 3.5Å; H705-D708 PolarHBondContact O-N 3.3Å; D708-S710 PolarHBondContact O-N 3.24Å; D708-S710 WeakPolarHBondContact OD1-CB 3.49Å; D708-S710 PolarHBondContact OD1-N 3.36Å; D708-E711 HydrophobicContact CB-CB 4.37Å; D708-E711 HydrophobicContact CB-CG 4.44Å; D708-E711 PolarHBondContact O-N 3.07Å; D708-V712 PolarHBondContact O-N 2.85Å
709P85.9Confident87.8Confident99 Ų9960.3 Ų60.364%0.64335%0.348SS*.THydrogen-bonded Turntrans-62.7-20.6177.2-20.233.4000113.9E707 P713E707-P709 VanDerWaalsContact O-CD 3.32Å; E707-P709 WeakPolarHBondContact O-CD 3.45Å; P709-P713 WeakPolarHBondContact O-CA 3.22Å
710S88.5Confident87.7Confident112 Ų11257.6 Ų57.678%0.78334%0.341SS*.THydrogen-bonded Turntrans-74-35.9175-67.30000112.6D708D708-S710 PolarHBondContact O-N 3.24Å; D708-S710 WeakPolarHBondContact OD1-CB 3.49Å; D708-S710 PolarHBondContact OD1-N 3.36Å
711E86.6Confident87.6Confident76 Ų7658.5 Ų58.536%0.35535%0.346SS..THydrogen-bonded Turntrans-82.8-41.3173.7-67.8-171.3-171.200111.2H705 D708 P713H705-E711 IonicContact CD2-OE1 2.74Å; H705-E711 PolarHBondContact N-OE2 3.48Å; D708-E711 HydrophobicContact CB-CB 4.37Å; D708-E711 HydrophobicContact CB-CG 4.44Å; D708-E711 PolarHBondContact O-N 3.07Å; E711-P713 WeakPolarHBondContact O-CD 3.39Å
712V88.1Confident87.4Confident7 Ų763.5 Ų63.54%0.04238%0.378CS..  trans-125.679.9-173.6-168.10000110.5H703 D708 G714 G715 S718 D719H703-V712 HydrophobicContact CB-CG2 4.34Å; D708-V712 PolarHBondContact O-N 2.85Å; V712-G714 PolarHBondContact O-N 3.09Å; V712-G715 WeakPolarHBondContact CG1-O 3.39Å; V712-G715 PolarHBondContact O-N 2.7Å; V712-S718 WeakPolarHBondContact CG1-OG 3.47Å; V712-D719 HydrophobicContact CG1-CB 3.86Å; V712-D719 HydrophobicContact CG2-CB 3.94Å
713P83.8Confident87.4Confident119 Ų11964.8 Ų64.877%0.77339%0.386SS*.THydrogen-bonded Turntrans-65.5-24.5-177.324.4-33.6000113.4P709 E711 G715P709-P713 WeakPolarHBondContact O-CA 3.22Å; E711-P713 WeakPolarHBondContact O-CD 3.39Å; P713-G715 PolarHBondContact O-N 3.33Å
714G82.4Confident87.2Confident63 Ų6360.9 Ų60.965%0.64937%0.368SS*.THydrogen-bonded Turntrans-77.2-2.1173.500000114.6V712V712-G714 PolarHBondContact O-N 3.09Å
715G86Confident87.3Confident33 Ų3359 Ų5934%0.3436%0.362SS..  trans79.3162.9-173.700000113.3V712 P713 L717 S718V712-G715 WeakPolarHBondContact CG1-O 3.39Å; V712-G715 PolarHBondContact O-N 2.7Å; P713-G715 PolarHBondContact O-N 3.33Å; G715-L717 PolarHBondContact O-N 3.47Å; G715-S718 PolarHBondContact O-N 3.47Å; G715-S718 PolarHBondContact O-OG 3.04Å
716F87.3Confident87.5Confident22 Ų2260.3 Ų60.310%0.09637%0.368CS..G310 helixtrans-54.1-23.4-169.477.1-83.1000116.3V495 K500 K503 L504 F701 P706 S718 D719V495-F716 HydrophobicContact CG2-CD2 4.43Å; K500-F716 HydrophobicContact CB-CE1 4.33Å; K500-F716 HydrophobicContact CB-CE2 4.08Å; K500-F716 HydrophobicContact CB-CZ 3.76Å; K500-F716 HydrophobicContact CD-CD1 4.15Å; K500-F716 HydrophobicContact CD-CE1 3.93Å; K500-F716 HydrophobicContact CD-CZ 4.2Å; K500-F716 HydrophobicContact CG-CE1 3.89Å; K500-F716 HydrophobicContact CG-CZ 3.84Å; K503-F716 HydrophobicContact CD-CZ 4.19Å; L504-F716 HydrophobicContact CD1-CE2 4.46Å; L504-F716 HydrophobicContact CD2-CD2 4.46Å; L504-F716 HydrophobicContact CD2-CE2 3.99Å; L504-F716 HydrophobicContact CG-CE2 4.02Å; F701-F716 HydrophobicContact CE1-CD2 4.2Å; F701-F716 WeakPolarHBondContact CE1-O 3.39Å; F701-F716 HydrophobicContact CZ-CD2 4.3Å; P706-F716 HydrophobicContact CB-CB 4.47Å; P706-F716 VanDerWaalsContact O-CA 3.23Å; P706-F716 WeakPolarHBondContact O-CA 3.37Å; P706-F716 WeakPolarHBondContact O-CB 3.45Å; F716-S718 VanDerWaalsContact C-N 3.34Å; F716-D719 PolarHBondContact O-N 3.07Å
717L87.4Confident87.8Confident51 Ų5163.3 Ų63.327%0.26739%0.386SS..G310 helixtrans-72.5-23.8177-69.2175.6000113.2K503 L504 T507 G715 D719 I720K503-L717 HydrophobicContact CD-CD1 3.9Å; K503-L717 HydrophobicContact CG-CD1 4.28Å; L504-L717 HydrophobicContact CD2-CD2 3.64Å; L504-L717 HydrophobicContact CG-CD2 4.5Å; T507-L717 HydrophobicContact CG2-CD1 4.49Å; G715-L717 PolarHBondContact O-N 3.47Å; L717-D719 PolarHBondContact O-N 3.46Å; L717-I720 HydrophobicContact CD2-CD1 4.25Å; L717-I720 WeakPolarHBondContact O-CD1 3.39Å; L717-I720 WeakPolarHBondContact O-CG1 3.46Å
718S88.1Confident88.2Confident76 Ų7659.6 Ų59.653%0.53137%0.369SS..G310 helixtrans-77.6-9.8174.160.90000113V712 G715 F716V712-S718 WeakPolarHBondContact CG1-OG 3.47Å; G715-S718 PolarHBondContact O-N 3.47Å; G715-S718 PolarHBondContact O-OG 3.04Å; F716-S718 VanDerWaalsContact C-N 3.34Å
719D90.4Very high88.4Confident5 Ų560.8 Ų60.83%0.02738%0.382CS..G310 helixtrans-95.111.1-174.6-165.740.4000114.4F701 L702 H703 V712 F716 L717 N721F701-D719 WeakPolarHBondContact CA-O 3.34Å; F701-D719 HydrophobicContact CD1-CB 4.15Å; L702-D719 WeakPolarHBondContact CB-OD1 3.34Å; L702-D719 PolarHBondContact N-O 2.95Å; L702-D719 PolarHBondContact N-OD2 3.41Å; H703-D719 IonicContact CE1-OD1 3.83Å; H703-D719 IonicContact CG-OD1 3.21Å; H703-D719 PolarHBondContact N-OD1 2.95Å; H703-D719 PolarHBondContact N-OD2 3.39Å; H703-D719 IonicContact ND1-OD1 3.38Å; H703-D719 PolarHBondContact ND1-OD1 3.05Å; H703-D719 IonicContact ND1-OD2 3.55Å; V712-D719 HydrophobicContact CG1-CB 3.86Å; V712-D719 HydrophobicContact CG2-CB 3.94Å; F716-D719 PolarHBondContact O-N 3.07Å; L717-D719 PolarHBondContact O-N 3.46Å; D719-N721 PolarHBondContact O-N 2.89Å
720I89.4Confident88.7Confident39 Ų3959.2 Ų59.220%0.237%0.373CS..BIsolated β-bridgetrans-73.7130.6-176.1-63.4162.2000110L504 V509 L700 L717 P722L504-I720 HydrophobicContact CD2-CD1 4.36Å; V509-I720 HydrophobicContact CB-CD1 3.96Å; V509-I720 HydrophobicContact CG1-CB 4.48Å; V509-I720 HydrophobicContact CG1-CD1 3.44Å; V509-I720 VanDerWaalsContact CG1-CD1 3.44Å; V509-I720 HydrophobicContact CG1-CG1 3.96Å; V509-I720 HydrophobicContact CG1-CG2 3.73Å; V509-I720 HydrophobicContact CG2-CD1 3.32Å; L700-I720 HydrophobicContact CD1-CG2 4.44Å; L717-I720 HydrophobicContact CD2-CD1 4.25Å; L717-I720 WeakPolarHBondContact O-CD1 3.39Å; L717-I720 WeakPolarHBondContact O-CG1 3.46Å; I720-P722 WeakPolarHBondContact O-CD 3.48Å
721N88.8Confident89Confident24 Ų2453.9 Ų53.913%0.12834%0.337CS..  trans-76.9116.1173.1179.49000110.8R699 L700 L702 D719 N723 S724R699-N721 VanDerWaalsContact O-CB 3.3Å; R699-N721 WeakPolarHBondContact O-CB 3.19Å; R699-N721 PolarHBondContact O-ND2 3.44Å; L700-N721 PolarHBondContact O-N 3.41Å; L702-N721 HydrophobicContact CD2-CB 3.72Å; L702-N721 HydrophobicContact CG-CB 4.13Å; D719-N721 PolarHBondContact O-N 2.89Å; N721-N723 PolarHBondContact O-N 3.46Å; N721-N723 PolarHBondContact OD1-N 2.88Å; N721-S724 WeakPolarHBondContact O-CB 3.46Å; N721-S724 PolarHBondContact O-N 2.96Å; N721-S724 VanDerWaalsContact O-N 3.13Å; N721-S724 PolarHBondContact O-OG 3.31Å
722P87.1Confident89.4Confident108 Ų10851 Ų5170%0.70132%0.324SS*.THydrogen-bonded Turntrans-66.4-24.1178.527.9-34.9000112.6I720 S724I720-P722 WeakPolarHBondContact O-CD 3.48Å; P722-S724 VanDerWaalsContact C-N 3.29Å; P722-S724 PolarHBondContact O-N 2.79Å
723N87.3Confident89.7Confident124 Ų12450.7 Ų50.766%0.66332%0.322SS*.THydrogen-bonded Turntrans-92.216.5177.6-59.4-43000112.5N721 L725N721-N723 PolarHBondContact O-N 3.46Å; N721-N723 PolarHBondContact OD1-N 2.88Å; N723-L725 PolarHBondContact O-N 2.87Å
724S86.7Confident90.1Very high5 Ų545 Ų454%0.03529%0.285CS..SBendtrans-65.4-15.6-178.357.90000113.9R520 Y697 E698 N721 P722R520-S724 WeakPolarHBondContact CD-O 3.19Å; R520-S724 PolarHBondContact NH1-OG 3.2Å; Y697-S724 WeakPolarHBondContact CA-O 3.31Å; E698-S724 PolarHBondContact N-O 2.91Å; N721-S724 WeakPolarHBondContact O-CB 3.46Å; N721-S724 PolarHBondContact O-N 2.96Å; N721-S724 VanDerWaalsContact O-N 3.13Å; N721-S724 PolarHBondContact O-OG 3.31Å; P722-S724 VanDerWaalsContact C-N 3.29Å; P722-S724 PolarHBondContact O-N 2.79Å
725L90.8Very high90.6Very high38 Ų3844.2 Ų44.220%0.19927%0.267CS..EExtended strand (participates in β ladder)trans-145.5128.3-178.2167.968.2000110.4L512 R695 L696 Y697 N723 V727L512-L725 HydrophobicContact CB-CD2 4.39Å; L512-L725 HydrophobicContact CD1-CD1 3.63Å; L512-L725 HydrophobicContact CD1-CD2 3.16Å; L512-L725 HydrophobicContact CD1-CG 3.93Å; L512-L725 HydrophobicContact CG-CD2 3.46Å; L512-L725 VanDerWaalsContact CG-CD2 3.46Å; R695-L725 HydrophobicContact CB-CD1 4.32Å; L696-L725 WeakPolarHBondContact O-CA 3.32Å; Y697-L725 HydrophobicContact CD1-CD1 3.92Å; Y697-L725 HydrophobicContact CE1-CD1 3.65Å; N723-L725 PolarHBondContact O-N 2.87Å; L725-V727 HydrophobicContact CD1-CG2 4.04Å; L725-V727 HydrophobicContact CD2-CG2 4.35Å; L725-V727 HydrophobicContact CG-CG2 4.13Å
726Q92.3Very high90.7Very high103 Ų10344.6 Ų44.648%0.48126%0.264SS..EExtended strand (participates in β ladder)trans-124.4123.7169.1-179-177.21.500109L696 I728L696-Q726 HydrophobicContact CB-CB 4.27Å; L696-Q726 PolarHBondContact N-O 3.34Å; L696-Q726 PolarHBondContact O-N 3.09Å; Q726-I728 HydrophobicContact CG-CG1 4.45Å
727V93.6Very high90.8Very high67 Ų6743.6 Ų43.641%0.40626%0.26SS..EExtended strand (participates in β ladder)trans-102.5124.9178.9-175.90000109.3L512 E693 L725L512-V727 HydrophobicContact CD1-CG2 3.89Å; E693-V727 HydrophobicContact CG-CG1 3.77Å; L725-V727 HydrophobicContact CD1-CG2 4.04Å; L725-V727 HydrophobicContact CD2-CG2 4.35Å; L725-V727 HydrophobicContact CG-CG2 4.13Å
728I94.1Very high90.8Very high17 Ų1748.9 Ų48.99%0.08728%0.281CS..EExtended strand (participates in β ladder)trans-113.8103.7178.1-58.3178.6000107.4L577 E693 V694 L696 Q726 A731L577-I728 HydrophobicContact CB-CD1 4Å; L577-I728 HydrophobicContact CD1-CD1 4.25Å; L577-I728 VanDerWaalsContact O-CG2 3.24Å; L577-I728 WeakPolarHBondContact O-CG2 3.46Å; E693-I728 CarbonylContact C-O 3.49Å; E693-I728 VanDerWaalsContact CA-O 3.32Å; E693-I728 WeakPolarHBondContact CA-O 3.34Å; V694-I728 HydrophobicContact CB-CB 4.46Å; V694-I728 PolarHBondContact N-O 3.16Å; V694-I728 PolarHBondContact O-N 3.44Å; L696-I728 HydrophobicContact CD1-CD1 3.65Å; L696-I728 HydrophobicContact CG-CD1 4.19Å; Q726-I728 HydrophobicContact CG-CG1 4.45Å; I728-A731 HydrophobicContact CG2-CB 4.11Å
729S92Very high90.6Very high88 Ų8848.8 Ų48.862%0.61529%0.292SS*.EExtended strand (participates in β ladder)trans-85.6-12.5-174.257.60000114.7
730S91.1Very high90.5Very high66 Ų6649.7 Ų49.746%0.46230%0.3SS..EExtended strand (participates in β ladder)trans-114.323.4-173.463.70000113P579P579-S730 WeakPolarHBondContact CG-O 3.23Å
731A94.8Very high90.7Very high1 Ų155.3 Ų55.31%0.00832%0.323CS..EExtended strand (participates in β ladder)trans-68.7151.3177.500000110V576 L577 C692 V694 I728V576-A731 WeakPolarHBondContact O-CA 3.28Å; L577-A731 HydrophobicContact CD2-CB 4.22Å; C692-A731 PolarHBondContact N-O 3.06Å; C692-A731 WeakPolarHBondContact O-CB 3.43Å; C692-A731 PolarHBondContact O-N 3.04Å; C692-A731 VanDerWaalsContact O-N 3.15Å; V694-A731 HydrophobicContact CB-CB 4.23Å; V694-A731 HydrophobicContact CG2-CB 3.58Å; I728-A731 HydrophobicContact CG2-CB 4.11Å
732L95.9Very high90.9Very high16 Ų1657.5 Ų57.58%0.08434%0.337CS..EExtended strand (participates in β ladder)trans-119.8128.8-177.3-62.2-177.5000109.1A575 V576 P579 F618 V686 P689 L690 V691A575-L732 CarbonylContact C-O 3.55Å; A575-L732 VanDerWaalsContact CA-O 3.26Å; A575-L732 WeakPolarHBondContact CA-O 3.35Å; V576-L732 PolarHBondContact N-O 3.39Å; V576-L732 PolarHBondContact O-N 3Å; P579-L732 HydrophobicContact CB-CD1 3.42Å; P579-L732 VanDerWaalsContact CB-CD1 3.42Å; P579-L732 HydrophobicContact CB-CG 3.95Å; P579-L732 HydrophobicContact CG-CD1 3.96Å; P579-L732 HydrophobicContact CG-CG 4.1Å; F618-L732 HydrophobicContact CB-CD1 3.92Å; F618-L732 HydrophobicContact CD1-CD1 3.68Å; F618-L732 HydrophobicContact CD2-CD1 3.9Å; F618-L732 HydrophobicContact CE1-CD1 4.13Å; F618-L732 HydrophobicContact CE2-CD1 4.34Å; F618-L732 HydrophobicContact CG-CD1 3.55Å; F618-L732 HydrophobicContact CZ-CD1 4.44Å; V686-L732 HydrophobicContact CG2-CB 3.86Å; P689-L732 HydrophobicContact CB-CB 3.75Å; P689-L732 HydrophobicContact CB-CD2 4.33Å; P689-L732 HydrophobicContact CB-CG 4.42Å; P689-L732 HydrophobicContact CG-CB 3.9Å; P689-L732 HydrophobicContact CG-CD1 3.77Å; P689-L732 HydrophobicContact CG-CD2 3.93Å; P689-L732 HydrophobicContact CG-CG 4.07Å; L690-L732 WeakPolarHBondContact O-CA 3.47Å; V691-L732 HydrophobicContact CG2-CD2 3.91Å
733V95.2Very high91.2Very high0 Ų054.2 Ų54.20%031%0.313CS..EExtended strand (participates in β ladder)trans-123.9150.9178.563.10000110.1A575 P689 L690 C692 V737 F748 F767A575-V733 HydrophobicContact CB-CB 4.15Å; A575-V733 HydrophobicContact CB-CG2 4.01Å; P689-V733 CarbonylContact C-O 3.54Å; P689-V733 VanDerWaalsContact CA-O 3.32Å; P689-V733 WeakPolarHBondContact CA-O 3.28Å; P689-V733 WeakPolarHBondContact CB-O 3.35Å; L690-V733 HydrophobicContact CB-CG1 3.97Å; L690-V733 PolarHBondContact N-O 2.95Å; L690-V733 PolarHBondContact O-N 3.29Å; C692-V733 HydrophobicContact CB-CG1 4.23Å; V733-V737 HydrophobicContact CB-CG2 4.29Å; V733-V737 HydrophobicContact CG1-CG2 3.57Å; V733-V737 HydrophobicContact CG2-CB 4.36Å; V733-V737 HydrophobicContact CG2-CG1 3.72Å; V733-V737 HydrophobicContact CG2-CG2 3.68Å; V733-F748 HydrophobicContact CG2-CE1 4.11Å; V733-F748 HydrophobicContact CG2-CZ 4.16Å; V733-F767 HydrophobicContact CG1-CE2 4.48Å
734D92.5Very high91.6Very high0 Ų051.3 Ų51.30%030%0.298CS..  trans-62.4171.8175.97130.7000112.8A573 M574 H609 V611 V686 S736 V737A573-D734 WeakPolarHBondContact CA-OD2 3.49Å; M574-D734 PolarHBondContact N-OD2 3.36Å; M574-D734 PolarHBondContact O-N 3.15Å; H609-D734 IonicContact NE2-OD2 3.71Å; V611-D734 HydrophobicContact CG1-CB 4.09Å; V611-D734 HydrophobicContact CG2-CB 4.23Å; V686-D734 HydrophobicContact CG1-CB 4.38Å; D734-S736 PolarHBondContact O-N 3.45Å; D734-S736 WeakPolarHBondContact OD1-CB 3.43Å; D734-S736 PolarHBondContact OD1-N 2.91Å; D734-S736 PolarHBondContact OD1-OG 2.89Å; D734-V737 WeakPolarHBondContact O-CG2 3.44Å
735T91Very high92Very high46 Ų4653.2 Ų53.228%0.28231%0.305SS..G310 helixtrans-77.2-7.6-177.350.20000113.7V737 K738T735-V737 VanDerWaalsContact C-N 3.25Å; T735-V737 PolarHBondContact O-N 3.32Å; T735-K738 WeakPolarHBondContact O-CB 3.26Å; T735-K738 PolarHBondContact O-N 2.98Å
736S88.5Confident92.3Very high40 Ų4052.3 Ų52.328%0.2830%0.3SS..G310 helixtrans-67.6-28.6-176.776.80000112.3H609 D734 K738H609-S736 WeakPolarHBondContact CD2-CB 3.28Å; D734-S736 PolarHBondContact O-N 3.45Å; D734-S736 WeakPolarHBondContact OD1-CB 3.43Å; D734-S736 PolarHBondContact OD1-N 2.91Å; D734-S736 PolarHBondContact OD1-OG 2.89Å; S736-K738 PolarHBondContact O-N 3.38Å
737V89.6Confident92.5Very high1 Ų148 Ų481%0.00628%0.28CS..G310 helixtrans-77.8-2.7178.8-54.10000113A573 L690 V733 D734 T735 G739 A740 F746 L765 F767A573-V737 HydrophobicContact CB-CG1 4.05Å; L690-V737 HydrophobicContact CD1-CG2 4.21Å; V733-V737 HydrophobicContact CB-CG2 4.29Å; V733-V737 HydrophobicContact CG1-CG2 3.57Å; V733-V737 HydrophobicContact CG2-CB 4.36Å; V733-V737 HydrophobicContact CG2-CG1 3.72Å; V733-V737 HydrophobicContact CG2-CG2 3.68Å; D734-V737 WeakPolarHBondContact O-CG2 3.44Å; T735-V737 VanDerWaalsContact C-N 3.25Å; T735-V737 PolarHBondContact O-N 3.32Å; V737-G739 PolarHBondContact O-N 3.38Å; V737-A740 VanDerWaalsContact O-CB 3.23Å; V737-A740 WeakPolarHBondContact O-CB 3.49Å; V737-A740 PolarHBondContact O-N 2.76Å; V737-A740 VanDerWaalsContact O-N 3.08Å; V737-F746 HydrophobicContact CB-CZ 4.5Å; V737-F746 HydrophobicContact CG1-CD1 4.18Å; V737-F746 HydrophobicContact CG1-CE1 4.09Å; V737-F746 HydrophobicContact CG1-CE2 4.47Å; V737-F746 HydrophobicContact CG1-CG 4.42Å; V737-F746 HydrophobicContact CG1-CZ 4.25Å; V737-L765 HydrophobicContact CG2-CD1 4.08Å; V737-F767 HydrophobicContact CB-CZ 4.18Å; V737-F767 HydrophobicContact CG1-CZ 4.33Å; V737-F767 HydrophobicContact CG2-CZ 4.24Å
738K87.3Confident92.6Very high163 Ų16344.9 Ų44.971%0.70926%0.261SS*.THydrogen-bonded Turntrans-65.9119179.2-167.1175.5-179.1177.70109.9L690 T735 S736L690-K738 HydrophobicContact CD1-CB 4.03Å; L690-K738 HydrophobicContact CD1-CG 4.47Å; T735-K738 WeakPolarHBondContact O-CB 3.26Å; T735-K738 PolarHBondContact O-N 2.98Å; S736-K738 PolarHBondContact O-N 3.38Å
739G84.2Confident92.6Very high73 Ų7344.1 Ų44.175%0.75326%0.257SS*.THydrogen-bonded Turntrans88.77.6-177.200000114.4V737V737-G739 PolarHBondContact O-N 3.38Å
740A89.4Confident92.6Very high24 Ų2443.9 Ų43.920%0.19824%0.242CC..PPolyproline II helixtrans-56.3141.6167.400000110.8V737 D744 F746 L756V737-A740 VanDerWaalsContact O-CB 3.23Å; V737-A740 WeakPolarHBondContact O-CB 3.49Å; V737-A740 PolarHBondContact O-N 2.76Å; V737-A740 VanDerWaalsContact O-N 3.08Å; A740-D744 HydrophobicContact CB-CB 4.33Å; A740-F746 HydrophobicContact CB-CE2 3.88Å; A740-F746 HydrophobicContact CB-CZ 3.74Å; A740-L756 HydrophobicContact CB-CD2 4.17Å
741K92.1Very high92.7Very high157 Ų15742.4 Ų42.468%0.68323%0.231SC*.PPolyproline II helixtrans-89.7155.8176.9-63.8178.3-176.4175.40110.1L743 D744 L756K741-L743 PolarHBondContact O-N 3.05Å; K741-D744 PolarHBondContact N-OD2 2.84Å; K741-D744 WeakPolarHBondContact O-CB 3.38Å; K741-D744 VanDerWaalsContact O-CG 3.3Å; K741-D744 PolarHBondContact O-N 3.04Å; K741-L756 WeakPolarHBondContact O-CD2 3.43Å
742V93.1Very high92.7Very high70 Ų7042.4 Ų42.442%0.42423%0.231SC..THydrogen-bonded Turntrans-54.2134.6173.8169.60000109.5D744 P758V742-D744 VanDerWaalsContact C-N 3.3Å; V742-D744 PolarHBondContact O-N 2.86Å; V742-P758 HydrophobicContact CG1-CB 3.99Å; V742-P758 HydrophobicContact CG1-CG 3.83Å
743L93.4Very high92.7Very high39 Ų3942 Ų4220%0.20423%0.228CC..THydrogen-bonded Turntrans72.63.4-172.4-51.9174.5000116.9R528 K741 K745 L756R528-L743 HydrophobicContact CG-CD1 4.1Å; K741-L743 PolarHBondContact O-N 3.05Å; L743-K745 WeakPolarHBondContact O-CG 3.45Å; L743-L756 WeakPolarHBondContact CA-O 3.14Å; L743-L756 PolarHBondContact N-O 3.04Å
744D95.1Very high92.8Very high64 Ų6442 Ų4234%0.34223%0.228SC..  trans-62.5143.1167.3-77-8.9000110.1A740 K741 V742 F746 S755 L756A740-D744 HydrophobicContact CB-CB 4.33Å; K741-D744 PolarHBondContact N-OD2 2.84Å; K741-D744 WeakPolarHBondContact O-CB 3.38Å; K741-D744 VanDerWaalsContact O-CG 3.3Å; K741-D744 PolarHBondContact O-N 3.04Å; V742-D744 VanDerWaalsContact C-N 3.3Å; V742-D744 PolarHBondContact O-N 2.86Å; D744-F746 HydrophobicContact CB-CE2 3.81Å; D744-F746 HydrophobicContact CB-CZ 4.19Å; D744-S755 CarbonylContact O-C 3.53Å; D744-S755 VanDerWaalsContact O-CA 3.3Å; D744-S755 WeakPolarHBondContact O-CA 3.33Å; D744-L756 PolarHBondContact O-N 3.36Å
745K96Very high93.1Very high44 Ų4442 Ų4219%0.19123%0.228CC..EExtended strand (participates in β ladder)trans-117.7137.3-168.7-48.2-179.5-166.1-62.10109.4G531 F532 L566 A570 P571 L743 F754G531-K745 VanDerWaalsContact C-NZ 3.34Å; G531-K745 WeakPolarHBondContact O-CD 3.08Å; G531-K745 WeakPolarHBondContact O-CE 3.24Å; G531-K745 PolarHBondContact O-NZ 2.91Å; F532-K745 PolarHBondContact O-NZ 2.83Å; L566-K745 HydrophobicContact CD2-CB 4.16Å; L566-K745 HydrophobicContact CD2-CD 3.4Å; L566-K745 HydrophobicContact CD2-CG 4.38Å; A570-K745 HydrophobicContact CB-CB 4.25Å; P571-K745 WeakPolarHBondContact CD-O 3.39Å; L743-K745 WeakPolarHBondContact O-CG 3.45Å; K745-F754 CarbonylContact C-O 3.56Å; K745-F754 WeakPolarHBondContact CA-O 3.28Å
746F96.5Very high93.3Very high19 Ų1940 Ų408%0.08322%0.216CC..EExtended strand (participates in β ladder)trans-134.1146.9-178.6-62.1-85.9000110.2P571 A573 V737 A740 D744 F748 Y753 F754 F767P571-F746 HydrophobicContact CG-CD1 3.8Å; P571-F746 HydrophobicContact CG-CE1 3.87Å; P571-F746 WeakPolarHBondContact O-CA 3.39Å; A573-F746 HydrophobicContact CB-CD1 4.41Å; V737-F746 HydrophobicContact CB-CZ 4.5Å; V737-F746 HydrophobicContact CG1-CD1 4.18Å; V737-F746 HydrophobicContact CG1-CE1 4.09Å; V737-F746 HydrophobicContact CG1-CE2 4.47Å; V737-F746 HydrophobicContact CG1-CG 4.42Å; V737-F746 HydrophobicContact CG1-CZ 4.25Å; A740-F746 HydrophobicContact CB-CE2 3.88Å; A740-F746 HydrophobicContact CB-CZ 3.74Å; D744-F746 HydrophobicContact CB-CE2 3.81Å; D744-F746 HydrophobicContact CB-CZ 4.19Å; F746-F748 HydrophobicContact CB-CD1 4.11Å; F746-F748 HydrophobicContact CB-CE1 3.93Å; F746-Y753 WeakPolarHBondContact O-CA 3.48Å; F746-F754 PolarHBondContact N-O 3.49Å; F746-F754 PolarHBondContact O-N 3.39Å; F746-F767 AromaticContact CD2-CE1 3.87Å; F746-F767 HydrophobicContact CD2-CE1 3.87Å; F746-F767 HydrophobicContact CE2-CE1 4.2Å
747Q96.6Very high93.6Very high14 Ų1438.1 Ų38.17%0.06520%0.202CC..EExtended strand (participates in β ladder)trans-92.7107.8162.1-176.1-176.25.800108.3P571 R572 A573 E749 Y753 L773P571-Q747 PolarHBondContact O-N 3.26Å; R572-Q747 WeakPolarHBondContact CA-O 3.37Å; R572-Q747 HydrophobicContact CG-CB 4.07Å; R572-Q747 HydrophobicContact CG-CG 4.4Å; A573-Q747 PolarHBondContact N-O 2.68Å; Q747-E749 PolarHBondContact O-N 3.22Å; Q747-Y753 HydrophobicContact CB-CD1 3.79Å; Q747-Y753 HydrophobicContact CB-CE1 3.69Å; Q747-Y753 HydrophobicContact CG-CD1 4.04Å; Q747-Y753 HydrophobicContact CG-CE1 3.73Å; Q747-L773 HydrophobicContact CG-CD2 4.08Å
748F96.1Very high93.7Very high0 Ų041 Ų410%022%0.221CC..EExtended strand (participates in β ladder)trans-74.3114.8168.2-69.2-7.6000108.6A573 A575 V733 F746 R750 V751 G752 F754 F767A573-F748 HydrophobicContact CB-CD1 4.29Å; A573-F748 HydrophobicContact CB-CE1 4.4Å; A573-F748 WeakPolarHBondContact O-CA 3.47Å; A575-F748 HydrophobicContact CB-CB 4.15Å; A575-F748 HydrophobicContact CB-CD1 3.89Å; A575-F748 HydrophobicContact CB-CD2 3.44Å; A575-F748 VanDerWaalsContact CB-CD2 3.44Å; A575-F748 HydrophobicContact CB-CE1 4.11Å; A575-F748 HydrophobicContact CB-CE2 3.69Å; A575-F748 HydrophobicContact CB-CG 3.57Å; A575-F748 HydrophobicContact CB-CZ 4.01Å; V733-F748 HydrophobicContact CG2-CE1 4.11Å; V733-F748 HydrophobicContact CG2-CZ 4.16Å; F746-F748 HydrophobicContact CB-CD1 4.11Å; F746-F748 HydrophobicContact CB-CE1 3.93Å; F748-R750 PolarHBondContact O-N 2.67Å; F748-V751 HydrophobicContact CB-CB 4.08Å; F748-V751 PolarHBondContact O-N 2.89Å; F748-G752 PolarHBondContact N-O 3.07Å; F748-G752 PolarHBondContact O-N 3.35Å; F748-G752 VanDerWaalsContact O-N 3.13Å; F748-F754 HydrophobicContact CB-CD2 3.64Å; F748-F754 HydrophobicContact CB-CE2 3.73Å; F748-F754 HydrophobicContact CD1-CD2 4.32Å; F748-F754 HydrophobicContact CD2-CB 4.11Å; F748-F754 HydrophobicContact CD2-CD1 4.01Å; F748-F754 AromaticContact CD2-CD2 3.2Å; F748-F754 HydrophobicContact CD2-CD2 3.2Å; F748-F754 HydrophobicContact CD2-CE1 4.25Å; F748-F754 AromaticContact CD2-CE2 3.5Å; F748-F754 HydrophobicContact CD2-CE2 3.5Å; F748-F754 AromaticContact CD2-CG 3.49Å; F748-F754 HydrophobicContact CD2-CG 3.49Å; F748-F754 VanDerWaalsContact CD2-CG 3.49Å; F748-F754 HydrophobicContact CD2-CZ 4.02Å; F748-F754 HydrophobicContact CE1-CB 4.48Å; F748-F754 HydrophobicContact CE2-CB 3.96Å; F748-F754 AromaticContact CE2-CD1 3.99Å; F748-F754 HydrophobicContact CE2-CD1 3.99Å; F748-F754 AromaticContact CE2-CD2 3.9Å; F748-F754 HydrophobicContact CE2-CD2 3.9Å; F748-F754 HydrophobicContact CE2-CE2 4.42Å; F748-F754 AromaticContact CE2-CG 3.67Å; F748-F754 HydrophobicContact CE2-CG 3.67Å; F748-F754 HydrophobicContact CG-CB 4.44Å; F748-F754 AromaticContact CG-CD2 3.45Å; F748-F754 HydrophobicContact CG-CD2 3.45Å; F748-F754 VanDerWaalsContact CG-CD2 3.45Å; F748-F754 AromaticContact CG-CE2 3.91Å; F748-F754 HydrophobicContact CG-CE2 3.91Å; F748-F754 HydrophobicContact CG-CG 4.05Å; F748-F754 HydrophobicContact CZ-CB 4.16Å; F748-F754 HydrophobicContact CZ-CG 4.35Å; F748-F767 HydrophobicContact CE1-CE1 4.46Å; F748-F767 HydrophobicContact CE2-CB 4.43Å; F748-F767 HydrophobicContact CE2-CG 4.29Å; F748-F767 HydrophobicContact CZ-CB 4.47Å; F748-F767 AromaticContact CZ-CD1 3.82Å; F748-F767 HydrophobicContact CZ-CD1 3.82Å; F748-F767 HydrophobicContact CZ-CD2 4.1Å; F748-F767 AromaticContact CZ-CE1 4Å; F748-F767 HydrophobicContact CZ-CE1 4Å; F748-F767 HydrophobicContact CZ-CE2 4.26Å; F748-F767 AromaticContact CZ-CG 3.87Å; F748-F767 HydrophobicContact CZ-CG 3.87Å; F748-F767 HydrophobicContact CZ-CZ 4.21Å
749E93.5Very high93.9Very high1 Ų136.9 Ų36.91%0.00521%0.207CC..THydrogen-bonded Turntrans-54.5131.1-171-72.2-151.317700112R572 A573 R644 H645 H684 Q747 V751R572-E749 HydrophobicContact CB-CG 4.2Å; A573-E749 PolarHBondContact O-N 2.95Å; R644-E749 WeakPolarHBondContact CD-OE2 3.36Å; R644-E749 IonicContact CZ-OE2 3.81Å; R644-E749 IonicContact NE-OE2 3.56Å; R644-E749 PolarHBondContact NE-OE2 3.38Å; R644-E749 IonicContact NH1-OE2 3.82Å; R644-E749 PolarHBondContact NH1-OE2 3.15Å; R644-E749 IonicContact NH2-OE2 2.92Å; H645-E749 IonicContact CE1-OE1 3.48Å; H645-E749 IonicContact NE2-OE1 3.77Å; H645-E749 PolarHBondContact NE2-OE1 3.1Å; H645-E749 IonicContact NE2-OE2 3.76Å; H684-E749 HydrophobicContact CB-CB 4.34Å; Q747-E749 PolarHBondContact O-N 3.22Å; E749-V751 PolarHBondContact O-N 3.27Å
750R92.4Very high94.2Very high83 Ų8334.4 Ų34.431%0.31318%0.178SC..THydrogen-bonded Turntrans64.7-9.6-177.1-56.2173.458-120.75.9116.1D623 H684 F748D623-R750 IonicContact OD1-CZ 3.48Å; D623-R750 IonicContact OD1-NH1 2.75Å; D623-R750 IonicContact OD1-NH2 2.76Å; D623-R750 PolarHBondContact OD1-NH2 3.41Å; D623-R750 IonicContact OD2-CZ 2.74Å; D623-R750 IonicContact OD2-NH1 3.65Å; D623-R750 PolarHBondContact OD2-NH1 2.69Å; D623-R750 IonicContact OD2-NH2 3.6Å; D623-R750 PolarHBondContact OD2-NH2 3.33Å; H684-R750 PolarHBondContact CE1-NH1 2.66Å; H684-R750 VanDerWaalsContact CE1-NH1 3.29Å; H684-R750 PolarHBondContact ND1-NH1 3.17Å; F748-R750 PolarHBondContact O-N 2.67Å
751V92.9Very high94.1Very high36 Ų3636.1 Ų36.122%0.21819%0.189CC..THydrogen-bonded Turntrans-97.1-59.8-177.8-175.50000111.3L577 F748 E749 F754L577-V751 HydrophobicContact CD1-CG1 3.76Å; L577-V751 HydrophobicContact CG-CG1 4.24Å; F748-V751 HydrophobicContact CB-CB 4.08Å; F748-V751 PolarHBondContact O-N 2.89Å; E749-V751 PolarHBondContact O-N 3.27Å; V751-F754 HydrophobicContact CB-CE2 4.13Å; V751-F754 HydrophobicContact CG1-CE2 3.64Å; V751-F754 HydrophobicContact CG1-CZ 3.6Å
752G94.8Very high93.5Very high0 Ų033.6 Ų33.60%020%0.197CC..EExtended strand (participates in β ladder)trans165.2-172.2-170.200000113.1F748 F754F748-G752 PolarHBondContact N-O 3.07Å; F748-G752 PolarHBondContact O-N 3.35Å; F748-G752 VanDerWaalsContact O-N 3.13Å; G752-F754 WeakPolarHBondContact O-CD2 3.48Å
753Y97.1Very high93.1Very high9 Ų938 Ų384%0.03522%0.218CC..EExtended strand (participates in β ladder)trans-99.2136.7171.7-62.7-83.3000110.1R563 L566 N567 A570 F746 Q747 T770 V771 L773R563-Y753 HydrophobicContact CG-CD2 4.48Å; R563-Y753 HydrophobicContact CG-CE2 4.18Å; L566-Y753 HydrophobicContact CB-CD1 3.52Å; L566-Y753 HydrophobicContact CB-CE1 3.64Å; L566-Y753 HydrophobicContact CB-CG 4.02Å; L566-Y753 HydrophobicContact CD1-CD1 4.1Å; L566-Y753 HydrophobicContact CD1-CG 3.88Å; L566-Y753 HydrophobicContact CG-CD1 4.43Å; N567-Y753 WeakPolarHBondContact CA-OH 3.28Å; N567-Y753 WeakPolarHBondContact CB-OH 3.4Å; A570-Y753 HydrophobicContact CB-CD1 4.31Å; F746-Y753 WeakPolarHBondContact O-CA 3.48Å; Q747-Y753 HydrophobicContact CB-CD1 3.79Å; Q747-Y753 HydrophobicContact CB-CE1 3.69Å; Q747-Y753 HydrophobicContact CG-CD1 4.04Å; Q747-Y753 HydrophobicContact CG-CE1 3.73Å; Y753-T770 WeakPolarHBondContact O-CB 3.27Å; Y753-T770 PolarHBondContact O-N 3.4Å; Y753-V771 HydrophobicContact CD2-CG1 3.75Å; Y753-V771 HydrophobicContact CG-CG1 4.32Å; Y753-V771 PolarHBondContact N-O 3.07Å; Y753-L773 HydrophobicContact CD2-CD2 4.15Å; Y753-L773 HydrophobicContact CE2-CD2 3.76Å
754F97.4Very high92.9Very high0 Ų041 Ų410%023%0.23CC..EExtended strand (participates in β ladder)trans-132.2152.4-175.2-67.5-97.4000110.3V694 L696 K745 F746 F748 V751 G752 F767 N768 R769V694-F754 HydrophobicContact CG1-CD1 4.02Å; V694-F754 HydrophobicContact CG1-CE1 3.46Å; V694-F754 VanDerWaalsContact CG1-CE1 3.46Å; V694-F754 HydrophobicContact CG1-CZ 4.4Å; L696-F754 HydrophobicContact CD2-CE1 4.01Å; L696-F754 HydrophobicContact CD2-CZ 4.29Å; K745-F754 CarbonylContact C-O 3.56Å; K745-F754 WeakPolarHBondContact CA-O 3.28Å; F746-F754 PolarHBondContact N-O 3.49Å; F746-F754 PolarHBondContact O-N 3.39Å; F748-F754 HydrophobicContact CB-CD2 3.64Å; F748-F754 HydrophobicContact CB-CE2 3.73Å; F748-F754 HydrophobicContact CD1-CD2 4.32Å; F748-F754 HydrophobicContact CD2-CB 4.11Å; F748-F754 HydrophobicContact CD2-CD1 4.01Å; F748-F754 AromaticContact CD2-CD2 3.2Å; F748-F754 HydrophobicContact CD2-CD2 3.2Å; F748-F754 HydrophobicContact CD2-CE1 4.25Å; F748-F754 AromaticContact CD2-CE2 3.5Å; F748-F754 HydrophobicContact CD2-CE2 3.5Å; F748-F754 AromaticContact CD2-CG 3.49Å; F748-F754 HydrophobicContact CD2-CG 3.49Å; F748-F754 VanDerWaalsContact CD2-CG 3.49Å; F748-F754 HydrophobicContact CD2-CZ 4.02Å; F748-F754 HydrophobicContact CE1-CB 4.48Å; F748-F754 HydrophobicContact CE2-CB 3.96Å; F748-F754 AromaticContact CE2-CD1 3.99Å; F748-F754 HydrophobicContact CE2-CD1 3.99Å; F748-F754 AromaticContact CE2-CD2 3.9Å; F748-F754 HydrophobicContact CE2-CD2 3.9Å; F748-F754 HydrophobicContact CE2-CE2 4.42Å; F748-F754 AromaticContact CE2-CG 3.67Å; F748-F754 HydrophobicContact CE2-CG 3.67Å; F748-F754 HydrophobicContact CG-CB 4.44Å; F748-F754 AromaticContact CG-CD2 3.45Å; F748-F754 HydrophobicContact CG-CD2 3.45Å; F748-F754 VanDerWaalsContact CG-CD2 3.45Å; F748-F754 AromaticContact CG-CE2 3.91Å; F748-F754 HydrophobicContact CG-CE2 3.91Å; F748-F754 HydrophobicContact CG-CG 4.05Å; F748-F754 HydrophobicContact CZ-CB 4.16Å; F748-F754 HydrophobicContact CZ-CG 4.35Å; V751-F754 HydrophobicContact CB-CE2 4.13Å; V751-F754 HydrophobicContact CG1-CE2 3.64Å; V751-F754 HydrophobicContact CG1-CZ 3.6Å; G752-F754 WeakPolarHBondContact O-CD2 3.48Å; F754-F767 HydrophobicContact CB-CB 4.39Å; F754-F767 HydrophobicContact CB-CD1 4.32Å; F754-F767 HydrophobicContact CD1-CB 4.32Å; F754-N768 CarbonylContact C-O 3.53Å; F754-N768 WeakPolarHBondContact CA-O 3.44Å; F754-R769 HydrophobicContact CD1-CB 4.01Å; F754-R769 HydrophobicContact CE1-CB 3.55Å; F754-R769 HydrophobicContact CE1-CG 3.95Å; F754-R769 HydrophobicContact CZ-CB 4.11Å; F754-R769 HydrophobicContact CZ-CG 3.98Å
755S97.2Very high92.9Very high0 Ų039.2 Ų39.20%022%0.22CC..EExtended strand (participates in β ladder)trans-129.2141.8175.1-176.80000109.7G531 D744 D757 F767 N768G531-S755 VanDerWaalsContact CA-CB 3.44Å; D744-S755 CarbonylContact O-C 3.53Å; D744-S755 VanDerWaalsContact O-CA 3.3Å; D744-S755 WeakPolarHBondContact O-CA 3.33Å; S755-D757 PolarHBondContact O-N 3.1Å; S755-F767 WeakPolarHBondContact O-CA 3.16Å; S755-N768 PolarHBondContact N-O 3.49Å; S755-N768 PolarHBondContact O-N 2.98Å
756L95.8Very high92.8Very high4 Ų437.1 Ų37.12%0.02121%0.211CC..EExtended strand (participates in β ladder)trans-68.9123.2174.4-163.973.2000109.5A740 K741 L743 D744 S760 L765 F767A740-L756 HydrophobicContact CB-CD2 4.17Å; K741-L756 WeakPolarHBondContact O-CD2 3.43Å; L743-L756 WeakPolarHBondContact CA-O 3.14Å; L743-L756 PolarHBondContact N-O 3.04Å; D744-L756 PolarHBondContact O-N 3.36Å; L756-S760 WeakPolarHBondContact CD1-OG 3.12Å; L756-S760 WeakPolarHBondContact CG-OG 3.42Å; L756-L765 HydrophobicContact CD1-CB 4.44Å; L756-L765 HydrophobicContact CD1-CD2 4.12Å; L756-F767 HydrophobicContact CB-CD1 4.47Å; L756-F767 HydrophobicContact CB-CE1 4.23Å; L756-F767 HydrophobicContact CD1-CD1 4.08Å; L756-F767 HydrophobicContact CD1-CD2 4.3Å; L756-F767 HydrophobicContact CD1-CE1 3.66Å; L756-F767 HydrophobicContact CD1-CE2 3.91Å; L756-F767 HydrophobicContact CD1-CG 4.39Å; L756-F767 HydrophobicContact CD1-CZ 3.57Å
757D95Very high92.8Very high0 Ų036.2 Ų36.20%021%0.207CC..  trans-79.1148.7-176.7-173.4-98.3000111.2R529 R695 S755 D759 S760 V766 N768R529-D757 IonicContact CZ-OD1 3.89Å; R529-D757 IonicContact CZ-OD2 3.75Å; R529-D757 IonicContact NE-OD1 2.74Å; R529-D757 IonicContact NE-OD2 3.44Å; R529-D757 PolarHBondContact NE-OD2 3.17Å; R529-D757 IonicContact NH2-OD1 3.24Å; R529-D757 PolarHBondContact NH2-OD1 3.35Å; R529-D757 IonicContact NH2-OD2 3.86Å; R529-D757 PolarHBondContact NH2-OD2 3.46Å; R695-D757 IonicContact NH1-OD1 2.84Å; R695-D757 PolarHBondContact NH1-OD1 3.3Å; R695-D757 IonicContact NH1-OD2 3.16Å; S755-D757 PolarHBondContact O-N 3.1Å; D757-D759 PolarHBondContact O-N 3.1Å; D757-D759 VanDerWaalsContact O-N 3.14Å; D757-D759 WeakPolarHBondContact OD1-CB 3Å; D757-D759 PolarHBondContact OD1-N 3.41Å; D757-S760 WeakPolarHBondContact O-CB 3.36Å; D757-S760 PolarHBondContact O-N 2.99Å; D757-S760 PolarHBondContact O-OG 3.24Å; D757-V766 HydrophobicContact CB-CB 4.13Å; D757-V766 HydrophobicContact CB-CG1 3.92Å; D757-V766 PolarHBondContact N-O 3.17Å; D757-N768 PolarHBondContact OD2-ND2 3.16Å
758P91.9Very high92.8Very high61 Ų6135.5 Ų35.540%0.39620%0.203SC..THydrogen-bonded Turntrans-58-19.5173.8-26.436.1000115.9R529 V742 S760R529-P758 HydrophobicContact CG-CG 4.37Å; V742-P758 HydrophobicContact CG1-CB 3.99Å; V742-P758 HydrophobicContact CG1-CG 3.83Å; P758-S760 PolarHBondContact O-N 2.74Å
759D91.1Very high92.9Very high77 Ų7737.3 Ų37.341%0.41221%0.21SC..THydrogen-bonded Turntrans-73.2-3.8172.7-60.8-18000112.9R529 R695 D757 V766R529-D759 IonicContact NH2-OD1 3.94Å; R529-D759 PolarHBondContact NH2-OD1 2.73Å; R529-D759 IonicContact NH2-OD2 3.44Å; R529-D759 PolarHBondContact NH2-OD2 3.11Å; R695-D759 IonicContact CZ-OD2 3.67Å; R695-D759 VanDerWaalsContact CZ-OD2 3.29Å; R695-D759 IonicContact NH1-OD2 3.8Å; R695-D759 PolarHBondContact NH1-OD2 2.61Å; R695-D759 IonicContact NH2-OD2 2.71Å; R695-D759 PolarHBondContact NH2-OD2 2.83Å; D757-D759 PolarHBondContact O-N 3.1Å; D757-D759 VanDerWaalsContact O-N 3.14Å; D757-D759 WeakPolarHBondContact OD1-CB 3Å; D757-D759 PolarHBondContact OD1-N 3.41Å; D759-V766 HydrophobicContact CB-CG2 4.47Å
760S89.8Confident93Very high20 Ų2037.3 Ų37.314%0.1421%0.21CC..  trans-72.1139.3178.4-57.50000112L756 D757 P758 K764 V766L756-S760 WeakPolarHBondContact CD1-OG 3.12Å; L756-S760 WeakPolarHBondContact CG-OG 3.42Å; D757-S760 WeakPolarHBondContact O-CB 3.36Å; D757-S760 PolarHBondContact O-N 2.99Å; D757-S760 PolarHBondContact O-OG 3.24Å; P758-S760 PolarHBondContact O-N 2.74Å; S760-K764 CarbonylContact C-O 3.57Å; S760-K764 VanDerWaalsContact CA-O 3.31Å; S760-K764 WeakPolarHBondContact CA-O 3.18Å; S760-V766 PolarHBondContact OG-N 2.92Å; S760-V766 PolarHBondContact OG-O 2.86Å
761S87.8Confident93.1Very high61 Ų6133.6 Ų33.643%0.42720%0.197SC..  trans-124.8175.5171.975.20000110.6D763 K764S761-D763 PolarHBondContact O-N 2.96Å; S761-D763 PolarHBondContact OG-N 3.19Å; S761-K764 PolarHBondContact N-O 3.44Å; S761-K764 CarbonylContact O-C 3.57Å; S761-K764 PolarHBondContact O-N 3.13Å; S761-K764 PolarHBondContact OG-N 2.97Å; S761-K764 VanDerWaalsContact OG-N 3.17Å
762A80.9Confident93.1Very high104 Ų10434.4 Ų34.486%0.8620%0.202SC*.SBendtrans-58.7-29.1175.900000113.1
763D83.4Confident92.8Very high163 Ų16337 Ų3787%0.87222%0.215SC*.SBendtrans-98.1-19.6-177.3-57.7-45000113.1S761S761-D763 PolarHBondContact O-N 2.96Å; S761-D763 PolarHBondContact OG-N 3.19Å
764K90Very high92Very high102 Ų10245 Ų4544%0.44325%0.25SS..  trans-135.4106.7-177.7-172.9-176.2178.9-172.50110.8E693 S760 S761 V766E693-K764 WeakPolarHBondContact OE2-CE 3.47Å; E693-K764 IonicContact OE2-NZ 3.78Å; E693-K764 PolarHBondContact OE2-NZ 2.78Å; S760-K764 CarbonylContact C-O 3.57Å; S760-K764 VanDerWaalsContact CA-O 3.31Å; S760-K764 WeakPolarHBondContact CA-O 3.18Å; S761-K764 PolarHBondContact N-O 3.44Å; S761-K764 CarbonylContact O-C 3.57Å; S761-K764 PolarHBondContact O-N 3.13Å; S761-K764 PolarHBondContact OG-N 2.97Å; S761-K764 VanDerWaalsContact OG-N 3.17Å; K764-V766 HydrophobicContact CD-CG2 4.33Å; K764-V766 HydrophobicContact CG-CG2 4.21Å
765L94.2Very high90.5Very high25 Ų2549.8 Ų49.813%0.13127%0.273CS..EExtended strand (participates in β ladder)trans-84.4131.5172.9-61.4175.9000110.3L690 C692 E693 V737 L756 F767L690-L765 HydrophobicContact CB-CD1 4.5Å; L690-L765 HydrophobicContact CD1-CD1 4.15Å; C692-L765 WeakPolarHBondContact CA-O 3.25Å; C692-L765 HydrophobicContact CB-CB 3.83Å; C692-L765 WeakPolarHBondContact CB-O 3.05Å; E693-L765 PolarHBondContact N-O 3.21Å; V737-L765 HydrophobicContact CG2-CD1 4.08Å; L756-L765 HydrophobicContact CD1-CB 4.44Å; L756-L765 HydrophobicContact CD1-CD2 4.12Å; L765-F767 HydrophobicContact CB-CE2 3.98Å
766V95.1Very high88.5Confident0 Ų054.1 Ų54.10%030%0.296CS..EExtended strand (participates in β ladder)trans-126.3123.4178.3-1750000109.1E693 R695 D757 D759 S760 K764E693-V766 HydrophobicContact CB-CG1 4.36Å; E693-V766 HydrophobicContact CB-CG2 4.24Å; E693-V766 HydrophobicContact CG-CG1 4.46Å; E693-V766 CarbonylContact O-C 3.34Å; E693-V766 WeakPolarHBondContact O-CA 3.46Å; R695-V766 HydrophobicContact CG-CG1 4.47Å; D757-V766 HydrophobicContact CB-CB 4.13Å; D757-V766 HydrophobicContact CB-CG1 3.92Å; D757-V766 PolarHBondContact N-O 3.17Å; D759-V766 HydrophobicContact CB-CG2 4.47Å; S760-V766 PolarHBondContact OG-N 2.92Å; S760-V766 PolarHBondContact OG-O 2.86Å; K764-V766 HydrophobicContact CD-CG2 4.33Å; K764-V766 HydrophobicContact CG-CG2 4.21Å
767F96.7Very high85.8Confident0 Ų059 Ų590%033%0.328CS..EExtended strand (participates in β ladder)trans-116.1134.7179.8-70.4-87.4000111.6C692 E693 V694 R695 V733 V737 F746 F748 F754 S755 L756 L765C692-F767 HydrophobicContact CB-CD2 4.03Å; C692-F767 HydrophobicContact CB-CE2 4.12Å; E693-F767 PolarHBondContact O-N 2.74Å; V694-F767 CarbonylContact C-O 3.46Å; V694-F767 WeakPolarHBondContact CA-O 3.46Å; V694-F767 HydrophobicContact CG2-CB 4.29Å; R695-F767 PolarHBondContact N-O 3.32Å; V733-F767 HydrophobicContact CG1-CE2 4.48Å; V737-F767 HydrophobicContact CB-CZ 4.18Å; V737-F767 HydrophobicContact CG1-CZ 4.33Å; V737-F767 HydrophobicContact CG2-CZ 4.24Å; F746-F767 AromaticContact CD2-CE1 3.87Å; F746-F767 HydrophobicContact CD2-CE1 3.87Å; F746-F767 HydrophobicContact CE2-CE1 4.2Å; F748-F767 HydrophobicContact CE1-CE1 4.46Å; F748-F767 HydrophobicContact CE2-CB 4.43Å; F748-F767 HydrophobicContact CE2-CG 4.29Å; F748-F767 HydrophobicContact CZ-CB 4.47Å; F748-F767 AromaticContact CZ-CD1 3.82Å; F748-F767 HydrophobicContact CZ-CD1 3.82Å; F748-F767 HydrophobicContact CZ-CD2 4.1Å; F748-F767 AromaticContact CZ-CE1 4Å; F748-F767 HydrophobicContact CZ-CE1 4Å; F748-F767 HydrophobicContact CZ-CE2 4.26Å; F748-F767 AromaticContact CZ-CG 3.87Å; F748-F767 HydrophobicContact CZ-CG 3.87Å; F748-F767 HydrophobicContact CZ-CZ 4.21Å; F754-F767 HydrophobicContact CB-CB 4.39Å; F754-F767 HydrophobicContact CB-CD1 4.32Å; F754-F767 HydrophobicContact CD1-CB 4.32Å; S755-F767 WeakPolarHBondContact O-CA 3.16Å; L756-F767 HydrophobicContact CB-CD1 4.47Å; L756-F767 HydrophobicContact CB-CE1 4.23Å; L756-F767 HydrophobicContact CD1-CD1 4.08Å; L756-F767 HydrophobicContact CD1-CD2 4.3Å; L756-F767 HydrophobicContact CD1-CE1 3.66Å; L756-F767 HydrophobicContact CD1-CE2 3.91Å; L756-F767 HydrophobicContact CD1-CG 4.39Å; L756-F767 HydrophobicContact CD1-CZ 3.57Å; L765-F767 HydrophobicContact CB-CE2 3.98Å
768N96.3Very high83.2Confident0 Ų062.4 Ų62.40%036%0.363CS..EExtended strand (participates in β ladder)trans-96.7132171.5-69-19.4000110R529 R695 Y697 F754 S755 D757 T770R529-N768 PolarHBondContact O-ND2 2.91Å; R695-N768 WeakPolarHBondContact CD-OD1 3.26Å; Y697-N768 HydrophobicContact CE2-CB 3.81Å; Y697-N768 PolarHBondContact OH-OD1 3.29Å; F754-N768 CarbonylContact C-O 3.53Å; F754-N768 WeakPolarHBondContact CA-O 3.44Å; S755-N768 PolarHBondContact N-O 3.49Å; S755-N768 PolarHBondContact O-N 2.98Å; D757-N768 PolarHBondContact OD2-ND2 3.16Å; N768-T770 PolarHBondContact O-N 3.27Å
769R96.8Very high80.9Confident38 Ų3865.7 Ų65.714%0.14337%0.371CS..EExtended strand (participates in β ladder)trans-69.4113.4167.5-173.2175.165.5-176.28.3109.3R695 L696 Y697 E698 F754R695-R769 PolarHBondContact O-N 2.97Å; L696-R769 HydrophobicContact CD2-CB 3.92Å; L696-R769 HydrophobicContact CD2-CG 4.45Å; Y697-R769 PolarHBondContact O-NH2 3.3Å; E698-R769 IonicContact OE1-CZ 2.75Å; E698-R769 IonicContact OE1-NH2 3.35Å; E698-R769 PolarHBondContact OE1-NH2 3.29Å; F754-R769 HydrophobicContact CD1-CB 4.01Å; F754-R769 HydrophobicContact CE1-CB 3.55Å; F754-R769 HydrophobicContact CE1-CG 3.95Å; F754-R769 HydrophobicContact CZ-CB 4.11Å; F754-R769 HydrophobicContact CZ-CG 3.98Å
770T96Very high78.2Confident1 Ų170.2 Ų70.21%0.00639%0.394CS..EExtended strand (participates in β ladder)trans-76-58178.6-53.70000110.7R530 F532 V562 L566 Y753 N768R530-T770 PolarHBondContact NE-O 3.35Å; R530-T770 PolarHBondContact NH2-O 3.03Å; R530-T770 WeakPolarHBondContact O-CA 3.15Å; R530-T770 WeakPolarHBondContact O-CB 3.39Å; R530-T770 PolarHBondContact O-OG1 3.48Å; F532-T770 HydrophobicContact CD1-CG2 3.47Å; F532-T770 VanDerWaalsContact CD1-CG2 3.47Å; F532-T770 HydrophobicContact CE1-CG2 3.71Å; V562-T770 HydrophobicContact CG1-CG2 4.02Å; L566-T770 HydrophobicContact CD1-CG2 4.07Å; Y753-T770 WeakPolarHBondContact O-CB 3.27Å; Y753-T770 PolarHBondContact O-N 3.4Å; N768-T770 PolarHBondContact O-N 3.27Å
771V94.9Very high77.6Confident5 Ų572.8 Ų72.83%0.0341%0.406CS..EExtended strand (participates in β ladder)trans-157.6152.8-18065.20000110.2E559 V562 R563 Y753E559-V771 HydrophobicContact CB-CG2 3.81Å; E559-V771 HydrophobicContact CG-CG2 4.16Å; V562-V771 HydrophobicContact CG1-CG1 4.02Å; R563-V771 HydrophobicContact CG-CG1 3.73Å; R563-V771 HydrophobicContact CG-CG2 4.01Å; Y753-V771 HydrophobicContact CD2-CG1 3.75Å; Y753-V771 HydrophobicContact CG-CG1 4.32Å; Y753-V771 PolarHBondContact N-O 3.07Å
772T92.9Very high77.1Confident53 Ų5373.4 Ų73.433%0.32541%0.405SS..EExtended strand (participates in β ladder)trans-72.4163.9173.256.20000111.6R563 K774R563-T772 WeakPolarHBondContact CD-O 3.49Å; T772-K774 PolarHBondContact OG1-O 3.41Å
773L88.8Confident76.9Confident54 Ų5471.7 Ų71.728%0.28338%0.38SS..SBendtrans-69.6-33.7179.5-64.5178.9000113.4Q747 Y753Q747-L773 HydrophobicContact CG-CD2 4.08Å; Y753-L773 HydrophobicContact CD2-CD2 4.15Å; Y753-L773 HydrophobicContact CE2-CD2 3.76Å
774K80.8Confident76.5Confident176 Ų17666.3 Ų66.377%0.76535%0.351SS*.SBendtrans-139.6155.4179-66.6-172.5178.5-173.90109.1T772T772-K774 PolarHBondContact OG1-O 3.41Å
775E64.8Low75.6Confident101 Ų10164.1 Ų64.147%0.47235%0.345SS..  trans-66.2135.8166.8-69.9172.8-169.500108.7H556 R563 P777H556-E775 IonicContact ND1-OE1 2.69Å; R563-E775 IonicContact CZ-OE1 3.31Å; R563-E775 IonicContact NH2-OE1 2.79Å; R563-E775 PolarHBondContact NH2-OE1 3.49Å; E775-P777 WeakPolarHBondContact O-CD 3.46Å
776D54.6Low74.4Confident91 Ų9166.7 Ų66.749%0.48736%0.36SS..  trans-90.7106.2171.9-170.9-12.2000107.8G778 K779D776-G778 PolarHBondContact O-N 2.69Å; D776-G778 VanDerWaalsContact O-N 3.1Å; D776-G778 PolarHBondContact OD1-N 3.47Å; D776-K779 HydrophobicContact CB-CB 4.32Å; D776-K779 HydrophobicContact CB-CD 4.39Å; D776-K779 HydrophobicContact CB-CG 4.32Å; D776-K779 PolarHBondContact O-N 2.89Å
777P40.9Very low72.9Confident106 Ų10671.4 Ų71.469%0.68839%0.385SS*.G310 helixtrans-63.9-17.6-176.3-17.931.5000113E775E775-P777 WeakPolarHBondContact O-CD 3.46Å
778G40.6Very low71.1Confident72 Ų7276.9 Ų76.974%0.74242%0.415SS*.G310 helixtrans-90.5-2-17900000115D776D776-G778 PolarHBondContact O-N 2.69Å; D776-G778 VanDerWaalsContact O-N 3.1Å; D776-G778 PolarHBondContact OD1-N 3.47Å
779K43.1Very low69Low131 Ų13183.3 Ų83.357%0.5745%0.449SS*.G310 helixtrans-110.518.9176.2-69.8-171.7175.8-171.80113.1D776D776-K779 HydrophobicContact CB-CB 4.32Å; D776-K779 HydrophobicContact CB-CD 4.39Å; D776-K779 HydrophobicContact CB-CG 4.32Å; D776-K779 PolarHBondContact O-N 2.89Å
780I33.5Very low66.4Low172 Ų17287.5 Ų87.588%0.88248%0.477SS*.  trans-71.20175.8-64.5177.2000110.2

Retrieved 780 of 780 residues in 5954.5 ms (Link to these results)

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