A0A3Q0KRE8_SCHMA Loading...

Restriction endonuclease

AlphaFold DB , UniProt , Accession A0A3Q0KRE8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 376 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
1M47.5Very low73.2Confident137 Ų13760.2 Ų60.268%0.67531%0.308SS*.  0-460-114.6-164.5-172.200110.7D3 F114 L118 C133M1-D3 PolarHBondContact N-OD2 3.49Å; M1-D3 PolarHBondContact O-N 3.23Å; M1-F114 HydrophobicContact SD-CE1 3.9Å; M1-L118 HydrophobicContact CE-CD1 4.41Å; M1-C133 HydrophobicContact CE-CB 3.92Å; M1-C133 WeakPolarHBondContact CE-SG 3.26Å
2L57.9Low74Confident52 Ų5258.1 Ų58.127%0.27230%0.295SS..THydrogen-bonded Turntrans-70.523.7169.9-72.9168.1000114.8I8 I35 L107L2-I8 HydrophobicContact CB-CD1 4.07Å; L2-I8 HydrophobicContact CD2-CD1 3.93Å; L2-I8 HydrophobicContact CD2-CG1 3.93Å; L2-I8 WeakPolarHBondContact O-CD1 3.38Å; L2-I35 HydrophobicContact CD1-CG2 4.47Å; L2-L107 HydrophobicContact CD1-CD1 3.47Å; L2-L107 VanDerWaalsContact CD1-CD1 3.47Å
3D63.9Low74.6Confident135 Ų13563.2 Ų63.272%0.72232%0.317SS*.THydrogen-bonded Turntrans-100-23.8-175.7-51-65.7000111.5M1 K5M1-D3 PolarHBondContact N-OD2 3.49Å; M1-D3 PolarHBondContact O-N 3.23Å; D3-K5 PolarHBondContact O-N 3.44Å
4N73Confident75.2Confident21 Ų2161.4 Ų61.411%0.11231%0.305CS..  trans-81.8106.6175.6-175.6-41.2000109.3L6 L7 I8 M135 E137N4-L6 VanDerWaalsContact C-N 3.28Å; N4-L6 PolarHBondContact O-N 2.79Å; N4-L6 PolarHBondContact OD1-N 3.19Å; N4-L6 VanDerWaalsContact OD1-N 3.15Å; N4-L7 HydrophobicContact CB-CB 4.19Å; N4-L7 HydrophobicContact CB-CD1 4.02Å; N4-L7 HydrophobicContact CB-CG 4.33Å; N4-L7 PolarHBondContact O-N 3.08Å; N4-L7 PolarHBondContact OD1-N 3.06Å; N4-I8 PolarHBondContact O-N 2.92Å; N4-I8 VanDerWaalsContact O-N 3.15Å; N4-M135 PolarHBondContact ND2-O 2.88Å; N4-E137 WeakPolarHBondContact OD1-CG 3.43Å
5K77.2Confident75.6Confident160 Ų16057.4 Ų57.470%0.69629%0.285SS*.Hα-helixtrans-64.4-34-174.8-65.7178.1-178.2172.60112.1D3 I8 S9 E137D3-K5 PolarHBondContact O-N 3.44Å; K5-I8 PolarHBondContact O-N 3.43Å; K5-S9 PolarHBondContact O-N 3.48Å; K5-S9 PolarHBondContact O-OG 3.49Å; K5-E137 WeakPolarHBondContact CB-OE1 3.47Å; K5-E137 PolarHBondContact N-OE1 3.25Å
6L77.6Confident75.8Confident44 Ų4459.6 Ų59.623%0.2329%0.292CS..Hα-helixtrans-69.9-42.3179.9-176.563.8000111.3N4 I8 S9 L10 E137 L140 A141N4-L6 VanDerWaalsContact C-N 3.28Å; N4-L6 PolarHBondContact O-N 2.79Å; N4-L6 PolarHBondContact OD1-N 3.19Å; N4-L6 VanDerWaalsContact OD1-N 3.15Å; L6-I8 VanDerWaalsContact C-N 3.32Å; L6-I8 PolarHBondContact O-N 3.38Å; L6-S9 WeakPolarHBondContact CA-OG 3.36Å; L6-S9 PolarHBondContact O-N 3.27Å; L6-S9 PolarHBondContact O-OG 3.48Å; L6-L10 HydrophobicContact CG-CD1 4.32Å; L6-L10 VanDerWaalsContact O-CG 3.26Å; L6-L10 WeakPolarHBondContact O-CG 3.47Å; L6-L10 PolarHBondContact O-N 3.14Å; L6-E137 HydrophobicContact CB-CG 4.36Å; L6-L140 HydrophobicContact CD2-CB 4.02Å; L6-L140 HydrophobicContact CD2-CD2 3.92Å; L6-L140 HydrophobicContact CD2-CG 4.1Å; L6-L140 HydrophobicContact CG-CD2 4.17Å; L6-A141 HydrophobicContact CD2-CB 4.09Å
7L79.7Confident75.9Confident9 Ų962.8 Ų62.85%0.04731%0.311CS..Hα-helixtrans-62.4-40.3173.6-78.1173.5000111.7N4 L10 F11 L132 L140N4-L7 HydrophobicContact CB-CB 4.19Å; N4-L7 HydrophobicContact CB-CD1 4.02Å; N4-L7 HydrophobicContact CB-CG 4.33Å; N4-L7 PolarHBondContact O-N 3.08Å; N4-L7 PolarHBondContact OD1-N 3.06Å; L7-L10 PolarHBondContact O-N 3.47Å; L7-F11 WeakPolarHBondContact O-CB 3.41Å; L7-F11 PolarHBondContact O-N 3.21Å; L7-L132 HydrophobicContact CD2-CD1 4.08Å; L7-L132 HydrophobicContact CD2-CG 4.21Å; L7-L140 HydrophobicContact CD2-CD2 3.55Å; L7-L140 HydrophobicContact CG-CD2 3.64Å
8I81.5Confident75.9Confident21 Ų2162.6 Ų62.611%0.10831%0.31CS..Hα-helixtrans-63.7-43.8174.9-70.4168.7000111.3L2 N4 K5 L6 L10 F11 H12 L36L2-I8 HydrophobicContact CB-CD1 4.07Å; L2-I8 HydrophobicContact CD2-CD1 3.93Å; L2-I8 HydrophobicContact CD2-CG1 3.93Å; L2-I8 WeakPolarHBondContact O-CD1 3.38Å; N4-I8 PolarHBondContact O-N 2.92Å; N4-I8 VanDerWaalsContact O-N 3.15Å; K5-I8 PolarHBondContact O-N 3.43Å; L6-I8 VanDerWaalsContact C-N 3.32Å; L6-I8 PolarHBondContact O-N 3.38Å; I8-L10 VanDerWaalsContact C-N 3.3Å; I8-L10 PolarHBondContact O-N 2.85Å; I8-F11 PolarHBondContact O-N 2.79Å; I8-H12 WeakPolarHBondContact O-CB 3.38Å; I8-H12 PolarHBondContact O-N 2.98Å; I8-L36 HydrophobicContact CD1-CD2 4.29Å; I8-L36 HydrophobicContact CG2-CD1 4.01Å; I8-L36 HydrophobicContact CG2-CD2 3.98Å
9S80.7Confident75.4Confident51 Ų5161.6 Ų61.636%0.35731%0.306SS..Hα-helixtrans-63.6-3917959.70000111.7K5 L6 F11 H12 E13K5-S9 PolarHBondContact O-N 3.48Å; K5-S9 PolarHBondContact O-OG 3.49Å; L6-S9 WeakPolarHBondContact CA-OG 3.36Å; L6-S9 PolarHBondContact O-N 3.27Å; L6-S9 PolarHBondContact O-OG 3.48Å; S9-F11 VanDerWaalsContact C-N 3.34Å; S9-H12 PolarHBondContact O-N 3.31Å; S9-E13 PolarHBondContact O-N 3.13Å
10L81.7Confident74.6Confident28 Ų2866.7 Ų66.715%0.14733%0.329CS..Hα-helixtrans-66.5-38.4175.1-68.9166000112.3L6 L7 I8 H12 E13 W14 F117 L140 V144L6-L10 HydrophobicContact CG-CD1 4.32Å; L6-L10 VanDerWaalsContact O-CG 3.26Å; L6-L10 WeakPolarHBondContact O-CG 3.47Å; L6-L10 PolarHBondContact O-N 3.14Å; L7-L10 PolarHBondContact O-N 3.47Å; I8-L10 VanDerWaalsContact C-N 3.3Å; I8-L10 PolarHBondContact O-N 2.85Å; L10-H12 VanDerWaalsContact C-N 3.35Å; L10-E13 PolarHBondContact O-N 3.15Å; L10-W14 VanDerWaalsContact O-CB 3.25Å; L10-W14 WeakPolarHBondContact O-CB 3.19Å; L10-W14 PolarHBondContact O-N 3.07Å; L10-F117 HydrophobicContact CB-CE2 4Å; L10-F117 HydrophobicContact CB-CZ 3.8Å; L10-L140 HydrophobicContact CD1-CD2 4.32Å; L10-V144 HydrophobicContact CD1-CB 4.14Å; L10-V144 HydrophobicContact CD1-CG1 3.49Å; L10-V144 VanDerWaalsContact CD1-CG1 3.49Å; L10-V144 HydrophobicContact CD1-CG2 3.58Å; L10-V144 HydrophobicContact CD2-CG1 3.21Å; L10-V144 HydrophobicContact CG-CG1 3.88Å
11F84.8Confident73.7Confident4 Ų467.6 Ų67.62%0.01834%0.342CS..Hα-helixtrans-65.5-40.5174.8-176.3-130.6000111.5L7 I8 S9 W14 I15 L32 L113 F114 F117L7-F11 WeakPolarHBondContact O-CB 3.41Å; L7-F11 PolarHBondContact O-N 3.21Å; I8-F11 PolarHBondContact O-N 2.79Å; S9-F11 VanDerWaalsContact C-N 3.34Å; F11-W14 HydrophobicContact CD2-CE3 4.08Å; F11-W14 AromaticContact CE2-CE3 4Å; F11-W14 HydrophobicContact CE2-CE3 4Å; F11-W14 HydrophobicContact CE2-CZ3 4.12Å; F11-W14 PolarHBondContact O-N 3.06Å; F11-I15 HydrophobicContact CD1-CD1 3.87Å; F11-I15 HydrophobicContact CD2-CD1 4.06Å; F11-I15 HydrophobicContact CD2-CG1 4.2Å; F11-I15 HydrophobicContact CE1-CD1 3.47Å; F11-I15 VanDerWaalsContact CE1-CD1 3.47Å; F11-I15 HydrophobicContact CE2-CD1 3.68Å; F11-I15 HydrophobicContact CE2-CG1 3.9Å; F11-I15 HydrophobicContact CG-CD1 4.17Å; F11-I15 HydrophobicContact CZ-CD1 3.39Å; F11-I15 HydrophobicContact CZ-CG1 4.1Å; F11-I15 WeakPolarHBondContact O-CB 3.32Å; F11-I15 WeakPolarHBondContact O-CG1 3.35Å; F11-I15 PolarHBondContact O-N 2.76Å; F11-L32 HydrophobicContact CD1-CD1 4.17Å; F11-L32 HydrophobicContact CD1-CD2 3.62Å; F11-L32 HydrophobicContact CE1-CD1 4.23Å; F11-L32 HydrophobicContact CE1-CD2 4.04Å; F11-L32 HydrophobicContact CG-CD2 4.45Å; F11-L113 HydrophobicContact CZ-CB 4.43Å; F11-F114 HydrophobicContact CB-CD2 4.44Å; F11-F114 HydrophobicContact CB-CE2 4.31Å; F11-F114 AromaticContact CD1-CD2 3.67Å; F11-F114 HydrophobicContact CD1-CD2 3.67Å; F11-F114 HydrophobicContact CD1-CE2 4.14Å; F11-F114 AromaticContact CD2-CD2 3.85Å; F11-F114 HydrophobicContact CD2-CD2 3.85Å; F11-F114 HydrophobicContact CD2-CE2 4.49Å; F11-F114 HydrophobicContact CE1-CB 4.31Å; F11-F114 AromaticContact CE1-CD2 3.71Å; F11-F114 HydrophobicContact CE1-CD2 3.71Å; F11-F114 HydrophobicContact CE1-CG 4.46Å; F11-F114 HydrophobicContact CE2-CB 4.16Å; F11-F114 AromaticContact CE2-CD2 3.88Å; F11-F114 HydrophobicContact CE2-CD2 3.88Å; F11-F114 AromaticContact CG-CD2 3.73Å; F11-F114 HydrophobicContact CG-CD2 3.73Å; F11-F114 HydrophobicContact CG-CE2 4.08Å; F11-F114 HydrophobicContact CZ-CB 3.8Å; F11-F114 AromaticContact CZ-CD2 3.79Å; F11-F114 HydrophobicContact CZ-CD2 3.79Å; F11-F114 HydrophobicContact CZ-CG 4.31Å; F11-F117 HydrophobicContact CB-CD1 4.07Å; F11-F117 HydrophobicContact CB-CD2 4.5Å; F11-F117 HydrophobicContact CB-CE1 3.91Å; F11-F117 HydrophobicContact CB-CE2 4.34Å; F11-F117 HydrophobicContact CB-CG 4.37Å; F11-F117 HydrophobicContact CB-CZ 4.05Å; F11-F117 HydrophobicContact CD2-CB 3.6Å; F11-F117 AromaticContact CD2-CD1 3.69Å; F11-F117 HydrophobicContact CD2-CD1 3.69Å; F11-F117 HydrophobicContact CD2-CD2 4.02Å; F11-F117 HydrophobicContact CD2-CE1 4.38Å; F11-F117 AromaticContact CD2-CG 3.48Å; F11-F117 HydrophobicContact CD2-CG 3.48Å; F11-F117 VanDerWaalsContact CD2-CG 3.48Å; F11-F117 HydrophobicContact CE2-CB 3.79Å; F11-F117 HydrophobicContact CE2-CD1 4.47Å; F11-F117 HydrophobicContact CE2-CG 4.18Å; F11-F117 HydrophobicContact CG-CD1 4.17Å; F11-F117 HydrophobicContact CG-CE1 4.48Å; F11-F117 HydrophobicContact CG-CG 4.32Å
12H82.5Confident73.9Confident35 Ų3567.1 Ų67.116%0.16234%0.338CS..Hα-helixtrans-63-43.1175-168.9-126.3000112I8 S9 L10 K16 S29 L32 E33I8-H12 WeakPolarHBondContact O-CB 3.38Å; I8-H12 PolarHBondContact O-N 2.98Å; S9-H12 PolarHBondContact O-N 3.31Å; L10-H12 VanDerWaalsContact C-N 3.35Å; H12-K16 WeakPolarHBondContact CE1-CE 3.46Å; H12-K16 PolarHBondContact CE1-NZ 2.88Å; H12-K16 PolarHBondContact ND1-NZ 3.19Å; H12-K16 WeakPolarHBondContact O-CG 3.4Å; H12-K16 PolarHBondContact O-N 3.1Å; H12-S29 PolarHBondContact NE2-OG 3.47Å; H12-L32 HydrophobicContact CB-CD2 3.98Å; H12-E33 IonicContact CE1-OE1 3.94Å; H12-E33 PolarHBondContact CE1-OE1 2.85Å; H12-E33 IonicContact NE2-OE1 3.91Å; H12-E33 PolarHBondContact NE2-OE1 2.64Å
13E81.6Confident73.1Confident124 Ų12473 Ų7358%0.57937%0.368SS*.Hα-helixtrans-64.7-42173.9-75.7-172.2168.800112.3S9 L10 K16 L17S9-E13 PolarHBondContact O-N 3.13Å; L10-E13 PolarHBondContact O-N 3.15Å; E13-K16 PolarHBondContact O-N 3.02Å; E13-L17 WeakPolarHBondContact O-CG 3.26Å; E13-L17 PolarHBondContact O-N 3.08Å; E13-L17 VanDerWaalsContact O-N 3.07Å
14W82.9Confident72.3Confident39 Ų3971.7 Ų71.715%0.14836%0.361CS..Hα-helixtrans-63.7-43.7178.7-175.277.6000111.9L10 F11 K16 L17 L18 L113 E116 F117L10-W14 VanDerWaalsContact O-CB 3.25Å; L10-W14 WeakPolarHBondContact O-CB 3.19Å; L10-W14 PolarHBondContact O-N 3.07Å; F11-W14 HydrophobicContact CD2-CE3 4.08Å; F11-W14 AromaticContact CE2-CE3 4Å; F11-W14 HydrophobicContact CE2-CE3 4Å; F11-W14 HydrophobicContact CE2-CZ3 4.12Å; F11-W14 PolarHBondContact O-N 3.06Å; W14-K16 PolarHBondContact O-N 2.88Å; W14-L17 WeakPolarHBondContact O-CB 3.32Å; W14-L17 PolarHBondContact O-N 3.08Å; W14-L18 HydrophobicContact CD2-CD1 3.99Å; W14-L18 HydrophobicContact CE3-CD1 3.64Å; W14-L18 HydrophobicContact CH2-CD1 3.45Å; W14-L18 VanDerWaalsContact CH2-CD1 3.45Å; W14-L18 HydrophobicContact CZ2-CD1 3.77Å; W14-L18 HydrophobicContact CZ3-CD1 3.36Å; W14-L18 PolarHBondContact O-N 2.92Å; W14-L18 VanDerWaalsContact O-N 3.13Å; W14-L113 WeakPolarHBondContact CZ3-O 3.17Å; W14-E116 HydrophobicContact CH2-CB 4.08Å; W14-E116 HydrophobicContact CH2-CG 3.94Å; W14-E116 HydrophobicContact CZ2-CG 4.19Å; W14-F117 HydrophobicContact CB-CD2 3.83Å; W14-F117 HydrophobicContact CB-CE2 4.2Å; W14-F117 HydrophobicContact CD2-CB 4.01Å; W14-F117 AromaticContact CD2-CD2 3.96Å; W14-F117 HydrophobicContact CD2-CD2 3.96Å; W14-F117 HydrophobicContact CD2-CG 4.46Å; W14-F117 HydrophobicContact CE3-CB 3.67Å; W14-F117 HydrophobicContact CE3-CD2 4.25Å; W14-F117 HydrophobicContact CE3-CG 4.36Å; W14-F117 AromaticContact CG-CD2 3.79Å; W14-F117 HydrophobicContact CG-CD2 3.79Å; W14-F117 HydrophobicContact CH2-CB 4.15Å; W14-F117 HydrophobicContact CZ2-CB 4.49Å; W14-F117 HydrophobicContact CZ3-CB 3.74Å
15I82Confident71.2Confident1 Ų179 Ų791%0.00540%0.4CS..Hα-helixtrans-60.1-45.8173.6-75.4169.5000110.9F11 L17 L18 D19 P28 S29 L32F11-I15 HydrophobicContact CD1-CD1 3.87Å; F11-I15 HydrophobicContact CD2-CD1 4.06Å; F11-I15 HydrophobicContact CD2-CG1 4.2Å; F11-I15 HydrophobicContact CE1-CD1 3.47Å; F11-I15 VanDerWaalsContact CE1-CD1 3.47Å; F11-I15 HydrophobicContact CE2-CD1 3.68Å; F11-I15 HydrophobicContact CE2-CG1 3.9Å; F11-I15 HydrophobicContact CG-CD1 4.17Å; F11-I15 HydrophobicContact CZ-CD1 3.39Å; F11-I15 HydrophobicContact CZ-CG1 4.1Å; F11-I15 WeakPolarHBondContact O-CB 3.32Å; F11-I15 WeakPolarHBondContact O-CG1 3.35Å; F11-I15 PolarHBondContact O-N 2.76Å; I15-L17 PolarHBondContact O-N 3.29Å; I15-L18 WeakPolarHBondContact O-CA 3.14Å; I15-L18 WeakPolarHBondContact O-CB 3.38Å; I15-L18 PolarHBondContact O-N 3.45Å; I15-D19 WeakPolarHBondContact CG2-OD2 3.39Å; I15-D19 PolarHBondContact O-N 3.28Å; I15-P28 HydrophobicContact CD1-CB 4.48Å; I15-P28 HydrophobicContact CG2-CB 3.8Å; I15-P28 HydrophobicContact CG2-CG 3.71Å; I15-S29 VanDerWaalsContact CG2-N 3.35Å; I15-L32 HydrophobicContact CD1-CB 4.35Å; I15-L32 HydrophobicContact CD1-CD2 3.8Å
16K79.1Confident70.4Confident92 Ų9275.6 Ų75.640%0.439%0.389SS..Hα-helixtrans-59.8-33.1178.1-78.7175.6174.5172.10113.2H12 E13 W14 Q20H12-K16 WeakPolarHBondContact CE1-CE 3.46Å; H12-K16 PolarHBondContact CE1-NZ 2.88Å; H12-K16 PolarHBondContact ND1-NZ 3.19Å; H12-K16 WeakPolarHBondContact O-CG 3.4Å; H12-K16 PolarHBondContact O-N 3.1Å; E13-K16 PolarHBondContact O-N 3.02Å; W14-K16 PolarHBondContact O-N 2.88Å; K16-Q20 WeakPolarHBondContact O-CG 3.38Å; K16-Q20 PolarHBondContact O-N 2.92Å
17L76.9Confident70.3Confident115 Ų11576.3 Ų76.360%0.60239%0.394SS*.Hα-helixtrans-70.4-35.5174.6-70170.8000111.8E13 W14 I15E13-L17 WeakPolarHBondContact O-CG 3.26Å; E13-L17 PolarHBondContact O-N 3.08Å; E13-L17 VanDerWaalsContact O-N 3.07Å; W14-L17 WeakPolarHBondContact O-CB 3.32Å; W14-L17 PolarHBondContact O-N 3.08Å; I15-L17 PolarHBondContact O-N 3.29Å
18L75Confident70.3Confident59 Ų5976.8 Ų76.831%0.30940%0.397SS..Hα-helixtrans-69.7-42174.1-68.2175.2000112.2W14 I15 Q20 S21 E22W14-L18 HydrophobicContact CD2-CD1 3.99Å; W14-L18 HydrophobicContact CE3-CD1 3.64Å; W14-L18 HydrophobicContact CH2-CD1 3.45Å; W14-L18 VanDerWaalsContact CH2-CD1 3.45Å; W14-L18 HydrophobicContact CZ2-CD1 3.77Å; W14-L18 HydrophobicContact CZ3-CD1 3.36Å; W14-L18 PolarHBondContact O-N 2.92Å; W14-L18 VanDerWaalsContact O-N 3.13Å; I15-L18 WeakPolarHBondContact O-CA 3.14Å; I15-L18 WeakPolarHBondContact O-CB 3.38Å; I15-L18 PolarHBondContact O-N 3.45Å; L18-Q20 PolarHBondContact O-N 3.37Å; L18-S21 WeakPolarHBondContact O-CA 3.21Å; L18-S21 PolarHBondContact O-N 3.05Å; L18-S21 PolarHBondContact O-OG 3.17Å; L18-E22 PolarHBondContact O-N 2.81Å
19D67.6Low70.3Confident43 Ų4376.2 Ų76.223%0.2340%0.395CS..Hα-helixtrans-61.3-27178.1-72.7-25.8000112.4I15 S21 N27 P28 S29I15-D19 WeakPolarHBondContact CG2-OD2 3.39Å; I15-D19 PolarHBondContact O-N 3.28Å; D19-S21 VanDerWaalsContact C-N 3.25Å; D19-S21 PolarHBondContact O-N 3.17Å; D19-N27 PolarHBondContact OD2-OD1 3.05Å; D19-P28 WeakPolarHBondContact OD1-CD 3.46Å; D19-P28 WeakPolarHBondContact OD1-CG 3.46Å; D19-S29 VanDerWaalsContact OD2-CB 3.24Å; D19-S29 WeakPolarHBondContact OD2-CB 3.43Å
20Q59.1Low70.5Confident164 Ų16474.8 Ų74.877%0.76638%0.383SS*.THydrogen-bonded Turntrans-72.8-18.8173.1-72.7177.812.400113.1K16 L18K16-Q20 WeakPolarHBondContact O-CG 3.38Å; K16-Q20 PolarHBondContact O-N 2.92Å; L18-Q20 PolarHBondContact O-N 3.37Å
21S54.8Low70.7Confident86 Ų8674.1 Ų74.160%0.60138%0.38SS*.THydrogen-bonded Turntrans-98.5-21.8-178.3660000114L18 D19L18-S21 WeakPolarHBondContact O-CA 3.21Å; L18-S21 PolarHBondContact O-N 3.05Å; L18-S21 PolarHBondContact O-OG 3.17Å; D19-S21 VanDerWaalsContact C-N 3.25Å; D19-S21 PolarHBondContact O-N 3.17Å
22E51.7Low70.8Confident126 Ų12674 Ų7459%0.58938%0.379SS*.  trans-124.3111.1179.5-68.5-166.3178.600112L18 N24L18-E22 PolarHBondContact O-N 2.81Å; E22-N24 PolarHBondContact O-N 2.93Å; E22-N24 PolarHBondContact OE2-ND2 3.14Å
23I42.1Very low70.9Confident175 Ų17574 Ų7490%0.89738%0.379SS*.  trans-7464.7169.1-51.8171000108.2
24N46.3Very low71.3Confident109 Ų10968 Ų6858%0.58335%0.351SS*.  trans-117.4130.4177.7-82.6-30000110.2E22 N26E22-N24 PolarHBondContact O-N 2.93Å; E22-N24 PolarHBondContact OE2-ND2 3.14Å; N24-N26 PolarHBondContact O-N 3.15Å
25N49.8Very low71.5Confident174 Ų17466.2 Ų66.293%0.9335%0.345SS*.SBendtrans-61.4-3.7-173.2-78.8-31.3000115.6
26N62.3Low71.8Confident88 Ų8868.4 Ų68.447%0.47136%0.356SS..  trans-100.397170.1-90.6-0.4000107.8N24 P28 E78N24-N26 PolarHBondContact O-N 3.15Å; N26-P28 WeakPolarHBondContact O-CD 3.42Å; N26-E78 PolarHBondContact ND2-OE2 3.13Å
27N75.1Confident72.3Confident59 Ų5965.6 Ų65.632%0.31634%0.344SS..  trans-86.395-178.5-169.5-35.4000109.2D19 S29 N30 H31D19-N27 PolarHBondContact OD2-OD1 3.05Å; N27-S29 PolarHBondContact O-N 3.11Å; N27-S29 WeakPolarHBondContact OD1-CB 3.48Å; N27-S29 PolarHBondContact OD1-N 2.94Å; N27-S29 VanDerWaalsContact OD1-N 3.14Å; N27-N30 HydrophobicContact CB-CB 4.37Å; N27-N30 WeakPolarHBondContact O-CB 3.39Å; N27-N30 PolarHBondContact O-N 2.71Å; N27-H31 PolarHBondContact O-CD2 3.39Å; N27-H31 PolarHBondContact O-N 2.99Å
28P78.9Confident72.9Confident20 Ų2060.1 Ų60.113%0.1332%0.315CS..Hα-helixtrans-51.7-27.8177.519.9-34.8000113.3I15 D19 N26 N30 H31 L32 L110 L113I15-P28 HydrophobicContact CD1-CB 4.48Å; I15-P28 HydrophobicContact CG2-CB 3.8Å; I15-P28 HydrophobicContact CG2-CG 3.71Å; D19-P28 WeakPolarHBondContact OD1-CD 3.46Å; D19-P28 WeakPolarHBondContact OD1-CG 3.46Å; N26-P28 WeakPolarHBondContact O-CD 3.42Å; P28-N30 VanDerWaalsContact C-N 3.34Å; P28-N30 PolarHBondContact O-N 3.17Å; P28-H31 PolarHBondContact O-N 3Å; P28-L32 PolarHBondContact O-N 2.82Å; P28-L110 HydrophobicContact CB-CD2 4.01Å; P28-L113 HydrophobicContact CB-CD1 4.06Å
29S82.6Confident73.5Confident8 Ų859 Ų596%0.05631%0.31CS..Hα-helixtrans-62.5-41.7175-175.50000111.5H12 I15 D19 N27 H31 L32 E33H12-S29 PolarHBondContact NE2-OG 3.47Å; I15-S29 VanDerWaalsContact CG2-N 3.35Å; D19-S29 VanDerWaalsContact OD2-CB 3.24Å; D19-S29 WeakPolarHBondContact OD2-CB 3.43Å; N27-S29 PolarHBondContact O-N 3.11Å; N27-S29 WeakPolarHBondContact OD1-CB 3.48Å; N27-S29 PolarHBondContact OD1-N 2.94Å; N27-S29 VanDerWaalsContact OD1-N 3.14Å; S29-H31 VanDerWaalsContact C-N 3.34Å; S29-H31 PolarHBondContact O-N 3.3Å; S29-L32 PolarHBondContact O-N 3.46Å; S29-E33 WeakPolarHBondContact O-CB 3.25Å; S29-E33 WeakPolarHBondContact O-CG 3.17Å; S29-E33 PolarHBondContact O-N 2.99Å
30N84.9Confident74.4Confident21 Ų2161.6 Ų61.611%0.11232%0.321CS..Hα-helixtrans-65.1-39.2177-69.7-11.1000111.5N27 P28 E33 F34 P76 I77N27-N30 HydrophobicContact CB-CB 4.37Å; N27-N30 WeakPolarHBondContact O-CB 3.39Å; N27-N30 PolarHBondContact O-N 2.71Å; P28-N30 VanDerWaalsContact C-N 3.34Å; P28-N30 PolarHBondContact O-N 3.17Å; N30-E33 PolarHBondContact O-N 3.28Å; N30-F34 VanDerWaalsContact O-CB 3.32Å; N30-F34 WeakPolarHBondContact O-CB 3.43Å; N30-F34 PolarHBondContact O-N 2.9Å; N30-P76 PolarHBondContact ND2-O 2.81Å; N30-I77 HydrophobicContact CB-CG2 4.18Å
31H85.2Confident75.7Confident15 Ų1554.8 Ų54.87%0.06929%0.288CS..Hα-helixtrans-63.6-44.2176.2-67.1-70.8000111.9N27 P28 S29 F34 I35 H106 L110N27-H31 PolarHBondContact O-CD2 3.39Å; N27-H31 PolarHBondContact O-N 2.99Å; P28-H31 PolarHBondContact O-N 3Å; S29-H31 VanDerWaalsContact C-N 3.34Å; S29-H31 PolarHBondContact O-N 3.3Å; H31-F34 PolarHBondContact O-N 3.32Å; H31-I35 VanDerWaalsContact O-CG1 3.31Å; H31-I35 WeakPolarHBondContact O-CG1 3.49Å; H31-I35 PolarHBondContact O-N 3.2Å; H31-I35 VanDerWaalsContact O-N 3.08Å; H31-H106 AromaticContact CE1-CE1 3.53Å; H31-H106 AromaticContact CE1-ND1 3.52Å; H31-H106 AromaticContact ND1-CE1 3.32Å; H31-H106 PolarHBondContact ND1-CE1 3.23Å; H31-H106 VanDerWaalsContact ND1-CE1 3.32Å; H31-H106 AromaticContact ND1-CG 3.71Å; H31-H106 AromaticContact ND1-ND1 2.99Å; H31-H106 PolarHBondContact ND1-ND1 2.97Å; H31-L110 HydrophobicContact CB-CD1 4.24Å; H31-L110 HydrophobicContact CB-CD2 4.45Å; H31-L110 HydrophobicContact CB-CG 4.47Å
32L85.8Confident77.2Confident2 Ų252.9 Ų52.91%0.0127%0.271CS..Hα-helixtrans-65.1-46.1177.2179.358.9000111.4F11 H12 I15 P28 S29 F34 I35 L36 L110F11-L32 HydrophobicContact CD1-CD1 4.17Å; F11-L32 HydrophobicContact CD1-CD2 3.62Å; F11-L32 HydrophobicContact CE1-CD1 4.23Å; F11-L32 HydrophobicContact CE1-CD2 4.04Å; F11-L32 HydrophobicContact CG-CD2 4.45Å; H12-L32 HydrophobicContact CB-CD2 3.98Å; I15-L32 HydrophobicContact CD1-CB 4.35Å; I15-L32 HydrophobicContact CD1-CD2 3.8Å; P28-L32 PolarHBondContact O-N 2.82Å; S29-L32 PolarHBondContact O-N 3.46Å; L32-F34 VanDerWaalsContact C-N 3.34Å; L32-F34 PolarHBondContact O-N 2.96Å; L32-I35 PolarHBondContact O-N 3.41Å; L32-L36 HydrophobicContact CD1-CG 4.38Å; L32-L36 HydrophobicContact CG-CD1 4.34Å; L32-L36 WeakPolarHBondContact O-CG 3.41Å; L32-L36 PolarHBondContact O-N 3.44Å; L32-L110 HydrophobicContact CB-CD1 4.06Å; L32-L110 HydrophobicContact CD1-CD1 4.42Å
33E86.4Confident78.7Confident33 Ų3353.6 Ų53.615%0.15428%0.277CS..Hα-helixtrans-59.7-45.1177.1-74.4-178-170.700111.5H12 S29 N30 I35 L36 E37 Y68 K75H12-E33 IonicContact CE1-OE1 3.94Å; H12-E33 PolarHBondContact CE1-OE1 2.85Å; H12-E33 IonicContact NE2-OE1 3.91Å; H12-E33 PolarHBondContact NE2-OE1 2.64Å; S29-E33 WeakPolarHBondContact O-CB 3.25Å; S29-E33 WeakPolarHBondContact O-CG 3.17Å; S29-E33 PolarHBondContact O-N 2.99Å; N30-E33 PolarHBondContact O-N 3.28Å; E33-I35 VanDerWaalsContact C-N 3.34Å; E33-I35 PolarHBondContact O-N 2.93Å; E33-L36 PolarHBondContact O-N 2.86Å; E33-E37 WeakPolarHBondContact O-CG 3.21Å; E33-E37 PolarHBondContact O-N 2.82Å; E33-Y68 HydrophobicContact CB-CE1 4.19Å; E33-K75 IonicContact OE1-NZ 3.53Å; E33-K75 IonicContact OE2-NZ 2.61Å; E33-K75 PolarHBondContact OE2-NZ 2.85Å
34F89.7Confident80.4Confident0 Ų046.9 Ų46.90%024%0.243CC..Hα-helixtrans-55.5-46.7174.2171.8-101.7000112.3N30 H31 L32 L36 E37 V38 I64 Y68 L69 I77 L99 L102 H106N30-F34 VanDerWaalsContact O-CB 3.32Å; N30-F34 WeakPolarHBondContact O-CB 3.43Å; N30-F34 PolarHBondContact O-N 2.9Å; H31-F34 PolarHBondContact O-N 3.32Å; L32-F34 VanDerWaalsContact C-N 3.34Å; L32-F34 PolarHBondContact O-N 2.96Å; F34-L36 PolarHBondContact O-N 3.06Å; F34-E37 PolarHBondContact O-N 2.92Å; F34-V38 HydrophobicContact CD1-CG2 4.41Å; F34-V38 HydrophobicContact CD2-CG2 4.11Å; F34-V38 HydrophobicContact CE1-CG2 3.95Å; F34-V38 HydrophobicContact CE2-CG2 3.64Å; F34-V38 HydrophobicContact CG-CG2 4.48Å; F34-V38 HydrophobicContact CZ-CG2 3.55Å; F34-V38 WeakPolarHBondContact O-CG2 3.08Å; F34-V38 PolarHBondContact O-N 3.22Å; F34-I64 HydrophobicContact CD2-CG2 4.11Å; F34-I64 HydrophobicContact CE2-CG2 3.68Å; F34-Y68 HydrophobicContact CB-CD1 3.92Å; F34-Y68 HydrophobicContact CB-CE1 4.21Å; F34-Y68 HydrophobicContact CB-CG 4.15Å; F34-Y68 HydrophobicContact CD2-CD1 4.46Å; F34-Y68 HydrophobicContact CD2-CD2 4.05Å; F34-Y68 AromaticContact CD2-CG 3.84Å; F34-Y68 HydrophobicContact CD2-CG 3.84Å; F34-Y68 HydrophobicContact CG-CG 4.47Å; F34-L69 HydrophobicContact CE2-CD1 4.45Å; F34-L69 HydrophobicContact CE2-CD2 3.81Å; F34-L69 HydrophobicContact CE2-CG 4.26Å; F34-L69 HydrophobicContact CZ-CD2 4.19Å; F34-I77 HydrophobicContact CB-CD1 4.22Å; F34-I77 HydrophobicContact CB-CG2 4.19Å; F34-I77 HydrophobicContact CD1-CD1 3.64Å; F34-I77 HydrophobicContact CD2-CD1 3.61Å; F34-I77 HydrophobicContact CE1-CD1 3.82Å; F34-I77 HydrophobicContact CE2-CD1 3.77Å; F34-I77 HydrophobicContact CG-CD1 3.53Å; F34-I77 HydrophobicContact CZ-CD1 3.87Å; F34-L99 HydrophobicContact CZ-CD2 4.5Å; F34-L102 HydrophobicContact CE1-CB 3.89Å; F34-L102 HydrophobicContact CZ-CB 3.8Å; F34-L102 HydrophobicContact CZ-CD1 4.29Å; F34-H106 AromaticContact CD1-CD2 3.9Å; F34-H106 AromaticContact CE1-CD2 3.83Å
35I87.3Confident81.3Confident1 Ų144.1 Ų44.11%0.00523%0.232CC..Hα-helixtrans-61-44.3179.1-71.1166.4000111.3L2 H31 L32 E33 E37 V38 N39 R103 H106 L107 L110L2-I35 HydrophobicContact CD1-CG2 4.47Å; H31-I35 VanDerWaalsContact O-CG1 3.31Å; H31-I35 WeakPolarHBondContact O-CG1 3.49Å; H31-I35 PolarHBondContact O-N 3.2Å; H31-I35 VanDerWaalsContact O-N 3.08Å; L32-I35 PolarHBondContact O-N 3.41Å; E33-I35 VanDerWaalsContact C-N 3.34Å; E33-I35 PolarHBondContact O-N 2.93Å; I35-E37 VanDerWaalsContact C-N 3.34Å; I35-E37 PolarHBondContact O-N 3.33Å; I35-V38 PolarHBondContact O-N 2.78Å; I35-N39 WeakPolarHBondContact O-CB 3.3Å; I35-N39 PolarHBondContact O-N 3.38Å; I35-N39 PolarHBondContact O-ND2 3.16Å; I35-R103 HydrophobicContact CB-CG 4.41Å; I35-R103 HydrophobicContact CG1-CG 4.21Å; I35-R103 HydrophobicContact CG2-CG 4Å; I35-H106 HydrophobicContact CD1-CB 3.88Å; I35-H106 HydrophobicContact CG1-CB 4.09Å; I35-L107 HydrophobicContact CD1-CB 4.33Å; I35-L107 HydrophobicContact CD1-CD1 4.4Å; I35-L110 HydrophobicContact CD1-CD1 3.64Å
36L86.9Confident82Confident47 Ų4742.8 Ų42.825%0.24622%0.218CC..Hα-helixtrans-62.8-42.4178.7-66.3176000111.3I8 L32 E33 F34 N39 Q40I8-L36 HydrophobicContact CD1-CD2 4.29Å; I8-L36 HydrophobicContact CG2-CD1 4.01Å; I8-L36 HydrophobicContact CG2-CD2 3.98Å; L32-L36 HydrophobicContact CD1-CG 4.38Å; L32-L36 HydrophobicContact CG-CD1 4.34Å; L32-L36 WeakPolarHBondContact O-CG 3.41Å; L32-L36 PolarHBondContact O-N 3.44Å; E33-L36 PolarHBondContact O-N 2.86Å; F34-L36 PolarHBondContact O-N 3.06Å; L36-N39 PolarHBondContact O-N 3.42Å; L36-Q40 WeakPolarHBondContact O-CG 3.33Å; L36-Q40 PolarHBondContact O-N 3.09Å
37E89.5Confident81.7Confident32 Ų3245.9 Ų45.915%0.1523%0.234CC..Hα-helixtrans-65.3-42.9178.1-66.3-69.2-166.700112.2E33 F34 I35 Q40 Y41 K60 Y63 I64 Y68E33-E37 WeakPolarHBondContact O-CG 3.21Å; E33-E37 PolarHBondContact O-N 2.82Å; F34-E37 PolarHBondContact O-N 2.92Å; I35-E37 VanDerWaalsContact C-N 3.34Å; I35-E37 PolarHBondContact O-N 3.33Å; E37-Q40 PolarHBondContact O-N 3.1Å; E37-Y41 PolarHBondContact O-N 3.13Å; E37-K60 IonicContact OE1-NZ 2.56Å; E37-K60 WeakPolarHBondContact OE2-CE 3.32Å; E37-K60 IonicContact OE2-NZ 2.67Å; E37-K60 PolarHBondContact OE2-NZ 3.1Å; E37-Y63 HydrophobicContact CG-CE1 4.33Å; E37-Y63 WeakPolarHBondContact OE1-CE1 3.39Å; E37-I64 HydrophobicContact CB-CD1 4.39Å; E37-I64 HydrophobicContact CB-CG1 4.01Å; E37-Y68 HydrophobicContact CB-CE2 4.48Å; E37-Y68 HydrophobicContact CG-CE2 4.06Å
38V89.6Confident80.8Confident0 Ų050.2 Ų50.20%025%0.253CS..Hα-helixtrans-65.5-40.8175.3172.70000111.3F34 I35 Q40 Y41 L42 I64 L99 R103F34-V38 HydrophobicContact CD1-CG2 4.41Å; F34-V38 HydrophobicContact CD2-CG2 4.11Å; F34-V38 HydrophobicContact CE1-CG2 3.95Å; F34-V38 HydrophobicContact CE2-CG2 3.64Å; F34-V38 HydrophobicContact CG-CG2 4.48Å; F34-V38 HydrophobicContact CZ-CG2 3.55Å; F34-V38 WeakPolarHBondContact O-CG2 3.08Å; F34-V38 PolarHBondContact O-N 3.22Å; I35-V38 PolarHBondContact O-N 2.78Å; V38-Q40 PolarHBondContact O-N 3.31Å; V38-Y41 WeakPolarHBondContact O-CB 3.35Å; V38-Y41 PolarHBondContact O-N 3.46Å; V38-L42 HydrophobicContact CG1-CD1 3.69Å; V38-L42 HydrophobicContact CG1-CG 3.99Å; V38-L42 WeakPolarHBondContact O-CB 3.04Å; V38-L42 VanDerWaalsContact O-CG 3.29Å; V38-L42 WeakPolarHBondContact O-CG 3.35Å; V38-L42 PolarHBondContact O-N 2.92Å; V38-I64 HydrophobicContact CG2-CD1 4.33Å; V38-I64 HydrophobicContact CG2-CG2 4.18Å; V38-L99 HydrophobicContact CG1-CB 3.95Å; V38-L99 HydrophobicContact CG2-CB 4.41Å; V38-L99 HydrophobicContact CG2-CD2 4.26Å; V38-R103 HydrophobicContact CB-CB 4.4Å; V38-R103 HydrophobicContact CG1-CB 3.89Å; V38-R103 HydrophobicContact CG1-CG 4.34Å
39N87.8Confident80Confident35 Ų3551.3 Ų51.319%0.18726%0.257CS..Hα-helixtrans-60.4-45.1175.9-81.3-24.4000111.6I35 L36 Y41 L42 I43 R103I35-N39 WeakPolarHBondContact O-CB 3.3Å; I35-N39 PolarHBondContact O-N 3.38Å; I35-N39 PolarHBondContact O-ND2 3.16Å; L36-N39 PolarHBondContact O-N 3.42Å; N39-Y41 VanDerWaalsContact C-N 3.31Å; N39-Y41 PolarHBondContact O-N 3.45Å; N39-L42 PolarHBondContact O-N 3.26Å; N39-I43 WeakPolarHBondContact O-CD1 3.22Å; N39-I43 VanDerWaalsContact O-CG1 3.24Å; N39-I43 WeakPolarHBondContact O-CG1 3.38Å; N39-I43 PolarHBondContact O-N 2.91Å; N39-R103 WeakPolarHBondContact OD1-CD 3.42Å; N39-R103 PolarHBondContact OD1-NH1 3Å
40Q85.8Confident79.7Confident99 Ų9954.6 Ų54.646%0.46327%0.274SS..Hα-helixtrans-58-43.9173.7-71.3-179.515.700111.8L36 E37 V38 M44L36-Q40 WeakPolarHBondContact O-CG 3.33Å; L36-Q40 PolarHBondContact O-N 3.09Å; E37-Q40 PolarHBondContact O-N 3.1Å; V38-Q40 PolarHBondContact O-N 3.31Å; Q40-M44 WeakPolarHBondContact O-CG 3.47Å
41Y87.6Confident79.4Confident21 Ų2159.8 Ų59.88%0.08230%0.3CS..Hα-helixtrans-64.2-39.3177.5172.7-99.7000113.2E37 V38 N39 R57 K60 A61 I64 L99E37-Y41 PolarHBondContact O-N 3.13Å; V38-Y41 WeakPolarHBondContact O-CB 3.35Å; V38-Y41 PolarHBondContact O-N 3.46Å; N39-Y41 VanDerWaalsContact C-N 3.31Å; N39-Y41 PolarHBondContact O-N 3.45Å; Y41-R57 HydrophobicContact CD2-CG 3.97Å; Y41-R57 HydrophobicContact CE2-CG 3.44Å; Y41-R57 VanDerWaalsContact CE2-CG 3.44Å; Y41-R57 WeakPolarHBondContact CE2-O 3.25Å; Y41-K60 HydrophobicContact CD2-CB 4.33Å; Y41-K60 HydrophobicContact CD2-CG 4.47Å; Y41-A61 HydrophobicContact CD2-CB 4.31Å; Y41-A61 HydrophobicContact CE2-CB 3.71Å; Y41-I64 HydrophobicContact CG-CD1 4.2Å; Y41-L99 HydrophobicContact CD1-CD1 3.58Å; Y41-L99 HydrophobicContact CE1-CD1 3.49Å; Y41-L99 VanDerWaalsContact CE1-CD1 3.49Å; Y41-L99 HydrophobicContact CG-CD1 4.4Å
42L85.9Confident79.2Confident46 Ų4666 Ų6624%0.24133%0.33CS..Hα-helixtrans-74.4-32-178-70.3177000112.9V38 N39 M44 K100V38-L42 HydrophobicContact CG1-CD1 3.69Å; V38-L42 HydrophobicContact CG1-CG 3.99Å; V38-L42 WeakPolarHBondContact O-CB 3.04Å; V38-L42 VanDerWaalsContact O-CG 3.29Å; V38-L42 WeakPolarHBondContact O-CG 3.35Å; V38-L42 PolarHBondContact O-N 2.92Å; N39-L42 PolarHBondContact O-N 3.26Å; L42-M44 PolarHBondContact O-N 2.76Å; L42-K100 HydrophobicContact CD1-CB 4.16Å; L42-K100 HydrophobicContact CD1-CG 4.38Å
43I82.9Confident78.9Confident140 Ų14071.2 Ų71.272%0.71835%0.352SS*.Hα-helixtrans-65.1-27.1176.4-70.2163.7000111.6N39 S45N39-I43 WeakPolarHBondContact O-CD1 3.22Å; N39-I43 VanDerWaalsContact O-CG1 3.24Å; N39-I43 WeakPolarHBondContact O-CG1 3.38Å; N39-I43 PolarHBondContact O-N 2.91Å; I43-S45 PolarHBondContact O-N 2.85Å
44M78.4Confident78.6Confident35 Ų3573.7 Ų73.717%0.17237%0.366CS..SBendtrans-64.6101174.7-60.7-173.474.700110.1Q40 L42 L49 K53 Y56 R57Q40-M44 WeakPolarHBondContact O-CG 3.47Å; L42-M44 PolarHBondContact O-N 2.76Å; M44-L49 HydrophobicContact CE-CD2 4.3Å; M44-K53 WeakPolarHBondContact CE-O 3.32Å; M44-Y56 HydrophobicContact CE-CD1 3.47Å; M44-Y56 VanDerWaalsContact CE-CD1 3.47Å; M44-Y56 HydrophobicContact CE-CE1 4.2Å; M44-Y56 HydrophobicContact CE-CG 4.43Å; M44-Y56 HydrophobicContact SD-CD1 3.69Å; M44-Y56 HydrophobicContact SD-CE1 3.93Å; M44-R57 HydrophobicContact CE-CB 3.82Å; M44-R57 VanDerWaalsContact O-CZ 3.24Å; M44-R57 PolarHBondContact O-NH1 3.39Å; M44-R57 PolarHBondContact O-NH2 2.95Å; M44-R57 HydrophobicContact SD-CB 3.98Å; M44-R57 HydrophobicContact SD-CG 4.32Å
45S64.3Low78.4Confident51 Ų5180.1 Ų80.136%0.35739%0.394SS..  trans-60.6140.6-179.773.30000110.5I43 N47 L49I43-S45 PolarHBondContact O-N 2.85Å; S45-N47 PolarHBondContact O-N 3.26Å; S45-L49 VanDerWaalsContact O-CD1 3.27Å; S45-L49 WeakPolarHBondContact O-CD1 3.27Å; S45-L49 WeakPolarHBondContact O-CD2 3.21Å; S45-L49 WeakPolarHBondContact O-CG 3.42Å
46K64.6Low78.3Confident146 Ų14686.5 Ų86.564%0.63542%0.419SS*.G310 helixtrans-68.6-25.7173.3-75.6-176.6178.2179.80111.6
47N56.2Low78.1Confident153 Ų15385.1 Ų85.182%0.81841%0.41SS*.G310 helixtrans-92.2-1.5-161.6-59-5.4000113.8S45S45-N47 PolarHBondContact O-N 3.26Å
48Q55.8Low77.9Confident150 Ų15086.6 Ų86.670%0.70142%0.418SS*.G310 helixtrans-138.134.5-176.9-63.3179.1-1600112.8
49L63.5Low77.8Confident42 Ų4291.4 Ų91.422%0.2244%0.444CS..  trans-97.7114.6-178.4-58.9170.6000110.1M44 S45 K53 L54M44-L49 HydrophobicContact CE-CD2 4.3Å; S45-L49 VanDerWaalsContact O-CD1 3.27Å; S45-L49 WeakPolarHBondContact O-CD1 3.27Å; S45-L49 WeakPolarHBondContact O-CD2 3.21Å; S45-L49 WeakPolarHBondContact O-CG 3.42Å; L49-K53 HydrophobicContact CB-CB 4.19Å; L49-K53 HydrophobicContact CD2-CB 3.41Å; L49-K53 VanDerWaalsContact CD2-CB 3.41Å; L49-K53 HydrophobicContact CD2-CD 4.24Å; L49-K53 HydrophobicContact CD2-CG 4.42Å; L49-K53 HydrophobicContact CG-CB 4.38Å; L49-L54 HydrophobicContact CB-CB 4.29Å; L49-L54 HydrophobicContact CD1-CD1 4.15Å
50N75.3Confident77.9Confident78 Ų7891 Ų9142%0.41744%0.441SS..  trans-66.4166.8156.265.60.8000109.4E52 K53 L54N50-E52 PolarHBondContact O-N 2.93Å; N50-E52 VanDerWaalsContact O-N 3.11Å; N50-K53 PolarHBondContact O-N 3.03Å; N50-K53 VanDerWaalsContact O-N 3.12Å; N50-K53 VanDerWaalsContact OD1-CB 3.24Å; N50-K53 WeakPolarHBondContact OD1-CB 3.3Å; N50-K53 WeakPolarHBondContact OD1-CG 3.43Å; N50-K53 PolarHBondContact OD1-N 3.36Å; N50-L54 PolarHBondContact O-N 3.4Å
51I79.4Confident77.9Confident129 Ų12987 Ų8766%0.66242%0.424SS*.Hα-helixtrans-52.4-38.3-177.4-66.5170.1000111.6L54 K55I51-L54 PolarHBondContact O-N 3.12Å; I51-K55 HydrophobicContact CG2-CD 4.46Å; I51-K55 WeakPolarHBondContact O-CG 3.37Å; I51-K55 PolarHBondContact O-N 2.74Å
52E80.7Confident78Confident147 Ų14789.5 Ų89.569%0.68744%0.439SS*.Hα-helixtrans-66-48.5179.3-64.8177.6164.700112.7N50 L54 K55 Y56N50-E52 PolarHBondContact O-N 2.93Å; N50-E52 VanDerWaalsContact O-N 3.11Å; E52-L54 VanDerWaalsContact C-N 3.27Å; E52-L54 PolarHBondContact O-N 3.45Å; E52-K55 PolarHBondContact O-N 3.49Å; E52-Y56 PolarHBondContact O-N 3.44Å
53K79.5Confident78.2Confident111 Ų11191.6 Ų91.648%0.48345%0.445SS..Hα-helixtrans-66.3-31.5177.1-69.1174.7-178.6-177.30111.6M44 L49 N50 R57M44-K53 WeakPolarHBondContact CE-O 3.32Å; L49-K53 HydrophobicContact CB-CB 4.19Å; L49-K53 HydrophobicContact CD2-CB 3.41Å; L49-K53 VanDerWaalsContact CD2-CB 3.41Å; L49-K53 HydrophobicContact CD2-CD 4.24Å; L49-K53 HydrophobicContact CD2-CG 4.42Å; L49-K53 HydrophobicContact CG-CB 4.38Å; N50-K53 PolarHBondContact O-N 3.03Å; N50-K53 VanDerWaalsContact O-N 3.12Å; N50-K53 VanDerWaalsContact OD1-CB 3.24Å; N50-K53 WeakPolarHBondContact OD1-CB 3.3Å; N50-K53 WeakPolarHBondContact OD1-CG 3.43Å; N50-K53 PolarHBondContact OD1-N 3.36Å; K53-R57 WeakPolarHBondContact O-CB 3.48Å; K53-R57 PolarHBondContact O-N 3.28Å
54L80.8Confident78.6Confident84 Ų8485 Ų8544%0.4441%0.411SS..Hα-helixtrans-65.6-45.7172.7-176.164.6000111.4L49 N50 I51 E52 R57 I58L49-L54 HydrophobicContact CB-CB 4.29Å; L49-L54 HydrophobicContact CD1-CD1 4.15Å; N50-L54 PolarHBondContact O-N 3.4Å; I51-L54 PolarHBondContact O-N 3.12Å; E52-L54 VanDerWaalsContact C-N 3.27Å; E52-L54 PolarHBondContact O-N 3.45Å; L54-R57 WeakPolarHBondContact O-CB 3.06Å; L54-R57 PolarHBondContact O-N 2.9Å; L54-I58 HydrophobicContact CG-CD1 4.2Å; L54-I58 WeakPolarHBondContact O-CG1 3.15Å; L54-I58 PolarHBondContact O-N 3.26Å
55K83.7Confident79.1Confident135 Ų13584.7 Ų84.759%0.58741%0.408SS*.Hα-helixtrans-59.3-46.9173.8-75.8179.8-179.8-178.10111.6I51 E52 R57 I58 N59I51-K55 HydrophobicContact CG2-CD 4.46Å; I51-K55 WeakPolarHBondContact O-CG 3.37Å; I51-K55 PolarHBondContact O-N 2.74Å; E52-K55 PolarHBondContact O-N 3.49Å; K55-R57 VanDerWaalsContact C-N 3.31Å; K55-R57 PolarHBondContact O-N 2.7Å; K55-I58 PolarHBondContact O-N 3.03Å; K55-N59 WeakPolarHBondContact O-CB 3.26Å; K55-N59 VanDerWaalsContact O-CG 3.26Å; K55-N59 PolarHBondContact O-N 3.45Å
56Y85.2Confident80.3Confident135 Ų13585.6 Ų85.653%0.52941%0.409SS..Hα-helixtrans-58.9-43.5177-177.2-92000111.7M44 E52 I58 N59 K60M44-Y56 HydrophobicContact CE-CD1 3.47Å; M44-Y56 VanDerWaalsContact CE-CD1 3.47Å; M44-Y56 HydrophobicContact CE-CE1 4.2Å; M44-Y56 HydrophobicContact CE-CG 4.43Å; M44-Y56 HydrophobicContact SD-CD1 3.69Å; M44-Y56 HydrophobicContact SD-CE1 3.93Å; E52-Y56 PolarHBondContact O-N 3.44Å; Y56-I58 PolarHBondContact O-N 3.4Å; Y56-N59 PolarHBondContact O-N 2.93Å; Y56-K60 WeakPolarHBondContact O-CB 3.23Å; Y56-K60 PolarHBondContact O-N 3.14Å
57R84.1Confident81.5Confident19 Ų1979.9 Ų79.97%0.07239%0.385CS..Hα-helixtrans-60.5-44.8176.2-177.8179.5-173.614217.6112.4Y41 M44 K53 L54 K55 K60 A61Y41-R57 HydrophobicContact CD2-CG 3.97Å; Y41-R57 HydrophobicContact CE2-CG 3.44Å; Y41-R57 VanDerWaalsContact CE2-CG 3.44Å; Y41-R57 WeakPolarHBondContact CE2-O 3.25Å; M44-R57 HydrophobicContact CE-CB 3.82Å; M44-R57 VanDerWaalsContact O-CZ 3.24Å; M44-R57 PolarHBondContact O-NH1 3.39Å; M44-R57 PolarHBondContact O-NH2 2.95Å; M44-R57 HydrophobicContact SD-CB 3.98Å; M44-R57 HydrophobicContact SD-CG 4.32Å; K53-R57 WeakPolarHBondContact O-CB 3.48Å; K53-R57 PolarHBondContact O-N 3.28Å; L54-R57 WeakPolarHBondContact O-CB 3.06Å; L54-R57 PolarHBondContact O-N 2.9Å; K55-R57 VanDerWaalsContact C-N 3.31Å; K55-R57 PolarHBondContact O-N 2.7Å; R57-K60 PolarHBondContact O-N 3.05Å; R57-A61 PolarHBondContact O-N 3.41Å
58I84.7Confident83.1Confident62 Ų6272.7 Ų72.732%0.31835%0.347SS..Hα-helixtrans-63.2-45.8177.5-68.5166.5000110.2L54 K55 Y56 K60 A61 N62L54-I58 HydrophobicContact CG-CD1 4.2Å; L54-I58 WeakPolarHBondContact O-CG1 3.15Å; L54-I58 PolarHBondContact O-N 3.26Å; K55-I58 PolarHBondContact O-N 3.03Å; Y56-I58 PolarHBondContact O-N 3.4Å; I58-K60 VanDerWaalsContact C-N 3.29Å; I58-K60 PolarHBondContact O-N 3.27Å; I58-A61 PolarHBondContact O-N 3.14Å; I58-N62 PolarHBondContact O-N 3.08Å
59N87.9Confident84.7Confident102 Ų10266 Ų6655%0.54532%0.316SS..Hα-helixtrans-60.6-39.7177-69.5-11.1000111.6K55 Y56 N62 Y63K55-N59 WeakPolarHBondContact O-CB 3.26Å; K55-N59 VanDerWaalsContact O-CG 3.26Å; K55-N59 PolarHBondContact O-N 3.45Å; Y56-N59 PolarHBondContact O-N 2.93Å; N59-N62 PolarHBondContact O-N 2.98Å; N59-Y63 WeakPolarHBondContact O-CB 3.33Å; N59-Y63 PolarHBondContact O-N 3.25Å
60K88.7Confident85.7Confident26 Ų2670.7 Ų70.711%0.11333%0.33CS..Hα-helixtrans-64.6-42.7176.3-163.774176-175.30112.1E37 Y41 Y56 R57 I58 Y63 I64E37-K60 IonicContact OE1-NZ 2.56Å; E37-K60 WeakPolarHBondContact OE2-CE 3.32Å; E37-K60 IonicContact OE2-NZ 2.67Å; E37-K60 PolarHBondContact OE2-NZ 3.1Å; Y41-K60 HydrophobicContact CD2-CB 4.33Å; Y41-K60 HydrophobicContact CD2-CG 4.47Å; Y56-K60 WeakPolarHBondContact O-CB 3.23Å; Y56-K60 PolarHBondContact O-N 3.14Å; R57-K60 PolarHBondContact O-N 3.05Å; I58-K60 VanDerWaalsContact C-N 3.29Å; I58-K60 PolarHBondContact O-N 3.27Å; K60-Y63 WeakPolarHBondContact O-CB 3.36Å; K60-Y63 PolarHBondContact O-N 3.14Å; K60-I64 HydrophobicContact CG-CD1 4.35Å; K60-I64 VanDerWaalsContact O-CG1 3.28Å; K60-I64 WeakPolarHBondContact O-CG1 3.45Å; K60-I64 PolarHBondContact O-N 3.02Å
61A87.7Confident85.9Confident14 Ų1475.8 Ų75.812%0.11635%0.349CS..Hα-helixtrans-61.2-44.5174.600000111.9Y41 R57 I58 Y63 I64 Y65Y41-A61 HydrophobicContact CD2-CB 4.31Å; Y41-A61 HydrophobicContact CE2-CB 3.71Å; R57-A61 PolarHBondContact O-N 3.41Å; I58-A61 PolarHBondContact O-N 3.14Å; A61-Y63 VanDerWaalsContact C-N 3.34Å; A61-Y63 PolarHBondContact O-N 3.39Å; A61-I64 PolarHBondContact O-N 2.9Å; A61-Y65 PolarHBondContact O-N 3Å
62N88.2Confident85.9Confident74 Ų7475.9 Ų75.940%0.39636%0.361SS..Hα-helixtrans-63.9-40.4177.3-69-15.5000111.6I58 N59 Y65 N66I58-N62 PolarHBondContact O-N 3.08Å; N59-N62 PolarHBondContact O-N 2.98Å; N62-Y65 PolarHBondContact O-N 2.89Å; N62-N66 VanDerWaalsContact O-CB 3.31Å; N62-N66 WeakPolarHBondContact O-CB 3.24Å; N62-N66 VanDerWaalsContact O-CG 3.27Å; N62-N66 PolarHBondContact O-N 2.97Å; N62-N66 PolarHBondContact O-ND2 3.41Å
63Y91.2Very high86Confident91 Ų9169.7 Ų69.736%0.35733%0.334SS..Hα-helixtrans-60.3-48.7174.6175.3-92.4000111.5E37 N59 K60 A61 Y65 N66 N67 Y68E37-Y63 HydrophobicContact CG-CE1 4.33Å; E37-Y63 WeakPolarHBondContact OE1-CE1 3.39Å; N59-Y63 WeakPolarHBondContact O-CB 3.33Å; N59-Y63 PolarHBondContact O-N 3.25Å; K60-Y63 WeakPolarHBondContact O-CB 3.36Å; K60-Y63 PolarHBondContact O-N 3.14Å; A61-Y63 VanDerWaalsContact C-N 3.34Å; A61-Y63 PolarHBondContact O-N 3.39Å; Y63-Y65 VanDerWaalsContact C-N 3.32Å; Y63-Y65 PolarHBondContact O-N 2.9Å; Y63-N66 PolarHBondContact O-N 3.28Å; Y63-N67 WeakPolarHBondContact CE2-ND2 3.47Å; Y63-N67 WeakPolarHBondContact O-CB 3.34Å; Y63-N67 PolarHBondContact O-N 3.48Å; Y63-N67 PolarHBondContact OH-ND2 2.84Å; Y63-Y68 HydrophobicContact CE1-CE2 4.33Å
64I90.6Very high86.1Confident0 Ų072.1 Ų72.10%035%0.347CS..Hα-helixtrans-58.4-46.5177.7-68.5164000110.6F34 E37 V38 Y41 K60 A61 Y68 L69 L99F34-I64 HydrophobicContact CD2-CG2 4.11Å; F34-I64 HydrophobicContact CE2-CG2 3.68Å; E37-I64 HydrophobicContact CB-CD1 4.39Å; E37-I64 HydrophobicContact CB-CG1 4.01Å; V38-I64 HydrophobicContact CG2-CD1 4.33Å; V38-I64 HydrophobicContact CG2-CG2 4.18Å; Y41-I64 HydrophobicContact CG-CD1 4.2Å; K60-I64 HydrophobicContact CG-CD1 4.35Å; K60-I64 VanDerWaalsContact O-CG1 3.28Å; K60-I64 WeakPolarHBondContact O-CG1 3.45Å; K60-I64 PolarHBondContact O-N 3.02Å; A61-I64 PolarHBondContact O-N 2.9Å; I64-Y68 WeakPolarHBondContact O-CD2 3.48Å; I64-Y68 PolarHBondContact O-N 3.34Å; I64-L69 HydrophobicContact CG2-CD1 4.44Å; I64-L99 HydrophobicContact CG2-CD2 3.93Å
65Y89.5Confident86.3Confident30 Ų3071 Ų7112%0.11834%0.339CS..Iπ-helixtrans-62.5-51.2178.5177-92.9000111.7A61 N62 Y63 N67 L69 R70 D92 P94A61-Y65 PolarHBondContact O-N 3Å; N62-Y65 PolarHBondContact O-N 2.89Å; Y63-Y65 VanDerWaalsContact C-N 3.32Å; Y63-Y65 PolarHBondContact O-N 2.9Å; Y65-N67 VanDerWaalsContact C-N 3.34Å; Y65-N67 PolarHBondContact O-N 3.11Å; Y65-L69 HydrophobicContact CD2-CB 3.9Å; Y65-L69 HydrophobicContact CD2-CD1 4.36Å; Y65-L69 HydrophobicContact CE2-CB 4.34Å; Y65-L69 CarbonylContact O-C 3.53Å; Y65-L69 PolarHBondContact O-N 3.07Å; Y65-R70 HydrophobicContact CD1-CB 4.24Å; Y65-R70 HydrophobicContact CE1-CB 3.76Å; Y65-R70 HydrophobicContact CE1-CG 3.88Å; Y65-R70 WeakPolarHBondContact O-CB 3.5Å; Y65-R70 PolarHBondContact O-N 3.3Å; Y65-D92 VanDerWaalsContact CD2-O 3.24Å; Y65-D92 WeakPolarHBondContact CD2-O 3.5Å; Y65-D92 HydrophobicContact CE1-CB 4.14Å; Y65-D92 HydrophobicContact CE2-CB 3.72Å; Y65-D92 WeakPolarHBondContact CE2-O 3.39Å; Y65-D92 VanDerWaalsContact CZ-CB 3.45Å; Y65-D92 VanDerWaalsContact OH-CB 3.27Å; Y65-D92 WeakPolarHBondContact OH-CB 3.4Å; Y65-D92 PolarHBondContact OH-OD1 3.11Å; Y65-P94 HydrophobicContact CD2-CG 4.43Å
66N88.7Confident86.4Confident69 Ų6968.4 Ų68.437%0.36934%0.335SS..Iπ-helixtrans-65.8-33.3-175.2-74.9-29.4000113.7N62 Y63 C73N62-N66 VanDerWaalsContact O-CB 3.31Å; N62-N66 WeakPolarHBondContact O-CB 3.24Å; N62-N66 VanDerWaalsContact O-CG 3.27Å; N62-N66 PolarHBondContact O-N 2.97Å; N62-N66 PolarHBondContact O-ND2 3.41Å; Y63-N66 PolarHBondContact O-N 3.28Å; N66-C73 WeakPolarHBondContact O-CB 3.38Å
67N89.9Confident86.5Confident26 Ų2662.6 Ų62.614%0.13931%0.313CS..Iπ-helixtrans-90.4-27.6-174.2-75.916.1000113.7Y63 Y65 C73 K75Y63-N67 WeakPolarHBondContact CE2-ND2 3.47Å; Y63-N67 WeakPolarHBondContact O-CB 3.34Å; Y63-N67 PolarHBondContact O-N 3.48Å; Y63-N67 PolarHBondContact OH-ND2 2.84Å; Y65-N67 VanDerWaalsContact C-N 3.34Å; Y65-N67 PolarHBondContact O-N 3.11Å; N67-C73 WeakPolarHBondContact O-CB 3.35Å; N67-C73 PolarHBondContact O-SG 2.97Å; N67-K75 CarbonylContact O-C 3.57Å; N67-K75 WeakPolarHBondContact O-CA 3.43Å; N67-K75 WeakPolarHBondContact O-CB 3.49Å; N67-K75 PolarHBondContact O-N 3.46Å
68Y89.9Confident86.5Confident3 Ų366.8 Ų66.81%0.01233%0.333CS..Iπ-helixtrans-123.8-33.7-172.2-55.3-81.9000114.8E33 F34 E37 Y63 I64 C73 K75 I77E33-Y68 HydrophobicContact CB-CE1 4.19Å; F34-Y68 HydrophobicContact CB-CD1 3.92Å; F34-Y68 HydrophobicContact CB-CE1 4.21Å; F34-Y68 HydrophobicContact CB-CG 4.15Å; F34-Y68 HydrophobicContact CD2-CD1 4.46Å; F34-Y68 HydrophobicContact CD2-CD2 4.05Å; F34-Y68 AromaticContact CD2-CG 3.84Å; F34-Y68 HydrophobicContact CD2-CG 3.84Å; F34-Y68 HydrophobicContact CG-CG 4.47Å; E37-Y68 HydrophobicContact CB-CE2 4.48Å; E37-Y68 HydrophobicContact CG-CE2 4.06Å; Y63-Y68 HydrophobicContact CE1-CE2 4.33Å; I64-Y68 WeakPolarHBondContact O-CD2 3.48Å; I64-Y68 PolarHBondContact O-N 3.34Å; Y68-C73 PolarHBondContact O-SG 3Å; Y68-K75 WeakPolarHBondContact CA-O 3.35Å; Y68-K75 HydrophobicContact CD1-CB 3.86Å; Y68-K75 VanDerWaalsContact CD1-O 3.28Å; Y68-K75 WeakPolarHBondContact CD1-O 3.46Å; Y68-K75 HydrophobicContact CE1-CB 3.81Å; Y68-K75 HydrophobicContact CE1-CD 4.02Å; Y68-I77 HydrophobicContact CD1-CG2 4.19Å; Y68-I77 PolarHBondContact O-N 3.34Å
69L88.5Confident86.5Confident10 Ų1065.6 Ų65.65%0.05233%0.328CS..Iπ-helixtrans-104.6-28.3-168.8-53.6179.6000113.4F34 I64 Y65 I77 L79 L87 P94 L99 L102F34-L69 HydrophobicContact CE2-CD1 4.45Å; F34-L69 HydrophobicContact CE2-CD2 3.81Å; F34-L69 HydrophobicContact CE2-CG 4.26Å; F34-L69 HydrophobicContact CZ-CD2 4.19Å; I64-L69 HydrophobicContact CG2-CD1 4.44Å; Y65-L69 HydrophobicContact CD2-CB 3.9Å; Y65-L69 HydrophobicContact CD2-CD1 4.36Å; Y65-L69 HydrophobicContact CE2-CB 4.34Å; Y65-L69 CarbonylContact O-C 3.53Å; Y65-L69 PolarHBondContact O-N 3.07Å; L69-I77 HydrophobicContact CD2-CD1 3.72Å; L69-I77 HydrophobicContact CD2-CG1 4.2Å; L69-L79 HydrophobicContact CD2-CD2 3.64Å; L69-L87 HydrophobicContact CD1-CD2 4.44Å; L69-P94 HydrophobicContact CD1-CB 4.38Å; L69-P94 HydrophobicContact CD1-CG 4.05Å; L69-L99 HydrophobicContact CD1-CD2 3.99Å; L69-L102 HydrophobicContact CD1-CD1 4.3Å; L69-L102 HydrophobicContact CD2-CD1 3.95Å
70R85Confident86.4Confident140 Ų14062 Ų6253%0.52831%0.31SS..SBendtrans-64.9143.3-179.2-170178.5-177.8-171.3-1.6109.8Y65 S72 C73Y65-R70 HydrophobicContact CD1-CB 4.24Å; Y65-R70 HydrophobicContact CE1-CB 3.76Å; Y65-R70 HydrophobicContact CE1-CG 3.88Å; Y65-R70 WeakPolarHBondContact O-CB 3.5Å; Y65-R70 PolarHBondContact O-N 3.3Å; R70-S72 PolarHBondContact O-N 3Å; R70-C73 HydrophobicContact CB-CB 4.31Å; R70-C73 WeakPolarHBondContact O-CB 3.49Å; R70-C73 PolarHBondContact O-N 3.2Å; R70-C73 PolarHBondContact O-SG 3.28Å
71K80Confident86.3Confident184 Ų18467.9 Ų67.980%0.834%0.338SS*.THydrogen-bonded Turntrans-54.5128.1170.4-65.4179.8-178.3174.90109.4C73K71-C73 PolarHBondContact O-N 3.39Å
72S79.1Confident86.4Confident131 Ų13173 Ų7392%0.91636%0.357SS*.THydrogen-bonded Turntrans59.338.8-179.8-480000114.7R70R70-S72 PolarHBondContact O-N 3Å
73C84.1Confident86.4Confident18 Ų1869.7 Ų69.712%0.12234%0.339CS..  trans-73169170.7570000112.7N66 N67 Y68 R70 K71 K75 P76N66-C73 WeakPolarHBondContact O-CB 3.38Å; N67-C73 WeakPolarHBondContact O-CB 3.35Å; N67-C73 PolarHBondContact O-SG 2.97Å; Y68-C73 PolarHBondContact O-SG 3Å; R70-C73 HydrophobicContact CB-CB 4.31Å; R70-C73 WeakPolarHBondContact O-CB 3.49Å; R70-C73 PolarHBondContact O-N 3.2Å; R70-C73 PolarHBondContact O-SG 3.28Å; K71-C73 PolarHBondContact O-N 3.39Å; C73-K75 VanDerWaalsContact C-N 3.32Å; C73-K75 PolarHBondContact O-N 3.2Å; C73-P76 VanDerWaalsContact SG-CA 3.51Å
74E81.5Confident86.1Confident162 Ų16268.9 Ų68.976%0.75734%0.341SS*.SBendtrans-65.3-32.8-179.4-66.8-177.2174.100113.2
75K84.8Confident85.9Confident61 Ų6175.3 Ų75.327%0.26537%0.368SS..SBendtrans-131.566.4-174.6-63.8-175.7180-176.50110.9E33 N67 Y68 C73 I77E33-K75 IonicContact OE1-NZ 3.53Å; E33-K75 IonicContact OE2-NZ 2.61Å; E33-K75 PolarHBondContact OE2-NZ 2.85Å; N67-K75 CarbonylContact O-C 3.57Å; N67-K75 WeakPolarHBondContact O-CA 3.43Å; N67-K75 WeakPolarHBondContact O-CB 3.49Å; N67-K75 PolarHBondContact O-N 3.46Å; Y68-K75 WeakPolarHBondContact CA-O 3.35Å; Y68-K75 HydrophobicContact CD1-CB 3.86Å; Y68-K75 VanDerWaalsContact CD1-O 3.28Å; Y68-K75 WeakPolarHBondContact CD1-O 3.46Å; Y68-K75 HydrophobicContact CE1-CB 3.81Å; Y68-K75 HydrophobicContact CE1-CD 4.02Å; C73-K75 VanDerWaalsContact C-N 3.32Å; C73-K75 PolarHBondContact O-N 3.2Å; K75-I77 PolarHBondContact O-N 3.37Å
76P85.5Confident85.7Confident79 Ų7979.4 Ų79.451%0.51338%0.384SS..  trans-62.2141.1-175.327.9-34.1000111N30 C73N30-P76 PolarHBondContact ND2-O 2.81Å; C73-P76 VanDerWaalsContact SG-CA 3.51Å
77I85.9Confident85.6Confident14 Ų1476.5 Ų76.57%0.07237%0.368CS..  trans-115148.4168.466.3-179.3000109.3N30 F34 Y68 L69 K75 L79N30-I77 HydrophobicContact CB-CG2 4.18Å; F34-I77 HydrophobicContact CB-CD1 4.22Å; F34-I77 HydrophobicContact CB-CG2 4.19Å; F34-I77 HydrophobicContact CD1-CD1 3.64Å; F34-I77 HydrophobicContact CD2-CD1 3.61Å; F34-I77 HydrophobicContact CE1-CD1 3.82Å; F34-I77 HydrophobicContact CE2-CD1 3.77Å; F34-I77 HydrophobicContact CG-CD1 3.53Å; F34-I77 HydrophobicContact CZ-CD1 3.87Å; Y68-I77 HydrophobicContact CD1-CG2 4.19Å; Y68-I77 PolarHBondContact O-N 3.34Å; L69-I77 HydrophobicContact CD2-CD1 3.72Å; L69-I77 HydrophobicContact CD2-CG1 4.2Å; K75-I77 PolarHBondContact O-N 3.37Å; I77-L79 HydrophobicContact CD1-CD2 4.27Å; I77-L79 HydrophobicContact CG1-CD2 4.01Å; I77-L79 PolarHBondContact O-N 3.19Å
78E84.4Confident85.4Confident106 Ų10680 Ų8050%0.49539%0.387SS..  trans-62.8125.6173.7-170.2-178.416700110.8N26 H106N26-E78 PolarHBondContact ND2-OE2 3.13Å; E78-H106 PolarHBondContact O-CE1 3.49Å; E78-H106 PolarHBondContact O-NE2 3.48Å
79L84.9Confident85.3Confident38 Ų3887.2 Ų87.220%0.19942%0.421CS..  trans-106.5118-180-64.8176.2000110.5L69 I77 I84 L87 L102L69-L79 HydrophobicContact CD2-CD2 3.64Å; I77-L79 HydrophobicContact CD1-CD2 4.27Å; I77-L79 HydrophobicContact CG1-CD2 4.01Å; I77-L79 PolarHBondContact O-N 3.19Å; L79-I84 HydrophobicContact CB-CD1 4.28Å; L79-I84 HydrophobicContact CB-CG1 3.79Å; L79-I84 WeakPolarHBondContact O-CD1 3.46Å; L79-L87 HydrophobicContact CD1-CD1 3.96Å; L79-L102 HydrophobicContact CD2-CD1 4.39Å; L79-L102 HydrophobicContact CD2-CD2 3.7Å
80P87.1Confident85.2Confident26 Ų2689 Ų8917%0.16943%0.429CS..  trans-57.7141.6171.2-26.134000111.5K82 F83 I84 H105P80-K82 HydrophobicContact CB-CG 4.11Å; P80-K82 PolarHBondContact O-N 3.41Å; P80-F83 HydrophobicContact CB-CD2 3.93Å; P80-F83 HydrophobicContact CG-CD2 3.89Å; P80-F83 HydrophobicContact CG-CE2 4.34Å; P80-F83 WeakPolarHBondContact O-CA 3.25Å; P80-F83 PolarHBondContact O-N 3.03Å; P80-I84 PolarHBondContact O-N 3.33Å; P80-H105 WeakPolarHBondContact CG-CD2 3.43Å; P80-H105 WeakPolarHBondContact CG-NE2 3.29Å
81E85.9Confident85.2Confident149 Ų14991 Ų9170%0.69644%0.441SS*.Hα-helixtrans-50.6-36.3-177.5-66.3-173.4175.500113.7F83 I84 K85E81-F83 PolarHBondContact O-N 3.42Å; E81-I84 PolarHBondContact O-N 3.37Å; E81-K85 PolarHBondContact O-N 3.32Å; E81-K85 VanDerWaalsContact O-N 3.13Å
82K89.1Confident85.1Confident121 Ų12186.2 Ų86.253%0.52643%0.425SS..Hα-helixtrans-59.1-33.8177.272.6-172.1-176.6-173.30112.9P80 R86P80-K82 HydrophobicContact CB-CG 4.11Å; P80-K82 PolarHBondContact O-N 3.41Å; K82-R86 WeakPolarHBondContact O-CG 3.44Å
83F87.9Confident85.2Confident5 Ų587.9 Ų87.92%0.02241%0.411CS..Hα-helixtrans-87.5-31.2179.5-68.6-64.3000112.1P80 E81 K85 R86 L87 T98 G101 L102 H105P80-F83 HydrophobicContact CB-CD2 3.93Å; P80-F83 HydrophobicContact CG-CD2 3.89Å; P80-F83 HydrophobicContact CG-CE2 4.34Å; P80-F83 WeakPolarHBondContact O-CA 3.25Å; P80-F83 PolarHBondContact O-N 3.03Å; E81-F83 PolarHBondContact O-N 3.42Å; F83-K85 VanDerWaalsContact C-N 3.35Å; F83-K85 PolarHBondContact O-N 3.5Å; F83-R86 PolarHBondContact O-N 2.91Å; F83-L87 WeakPolarHBondContact O-CB 3.38Å; F83-L87 VanDerWaalsContact O-CG 3.31Å; F83-L87 WeakPolarHBondContact O-CG 3.5Å; F83-L87 PolarHBondContact O-N 3.14Å; F83-T98 HydrophobicContact CD1-CG2 4.28Å; F83-G101 VanDerWaalsContact CZ-O 3.29Å; F83-G101 WeakPolarHBondContact CZ-O 2.99Å; F83-L102 HydrophobicContact CB-CD2 3.73Å; F83-L102 HydrophobicContact CB-CG 4.17Å; F83-L102 HydrophobicContact CD1-CD2 4.2Å; F83-L102 HydrophobicContact CD1-CG 3.9Å; F83-L102 HydrophobicContact CD2-CD2 3.4Å; F83-L102 HydrophobicContact CD2-CG 3.95Å; F83-L102 HydrophobicContact CE1-CG 4.25Å; F83-L102 HydrophobicContact CE2-CD2 3.97Å; F83-L102 HydrophobicContact CE2-CG 4.25Å; F83-L102 HydrophobicContact CG-CD2 3.53Å; F83-L102 HydrophobicContact CG-CG 3.76Å; F83-L102 HydrophobicContact CZ-CG 4.43Å; F83-H105 HydrophobicContact CE2-CB 4.17Å
84I85.6Confident85.2Confident75 Ų7587.5 Ų87.539%0.38541%0.408SS..Hα-helixtrans-55.9-52.5171-60.5177.4000109.5L79 P80 E81 R86 L87 D88L79-I84 HydrophobicContact CB-CD1 4.28Å; L79-I84 HydrophobicContact CB-CG1 3.79Å; L79-I84 WeakPolarHBondContact O-CD1 3.46Å; P80-I84 PolarHBondContact O-N 3.33Å; E81-I84 PolarHBondContact O-N 3.37Å; I84-R86 VanDerWaalsContact C-N 3.26Å; I84-R86 PolarHBondContact O-N 2.96Å; I84-L87 PolarHBondContact O-N 3.07Å; I84-L87 VanDerWaalsContact O-N 3.14Å; I84-D88 PolarHBondContact O-N 3.06Å
85K86.2Confident85.4Confident134 Ų13482.7 Ų82.758%0.58339%0.39SS*.Hα-helixtrans-59-35.4177.8-66.7-179.9-175.7176.70113.1E81 F83 Q89E81-K85 PolarHBondContact O-N 3.32Å; E81-K85 VanDerWaalsContact O-N 3.13Å; F83-K85 VanDerWaalsContact C-N 3.35Å; F83-K85 PolarHBondContact O-N 3.5Å; K85-Q89 VanDerWaalsContact O-CG 3.24Å; K85-Q89 WeakPolarHBondContact O-CG 3.46Å; K85-Q89 PolarHBondContact O-N 3.34Å; K85-Q89 VanDerWaalsContact O-N 3.16Å
86R86.2Confident85.5Confident117 Ų11781 Ų8144%0.44239%0.386SS..Hα-helixtrans-72.3-40.7176.9-77.3-177.1-177.61771.7112.3K82 F83 I84 D88 Q89 E90K82-R86 WeakPolarHBondContact O-CG 3.44Å; F83-R86 PolarHBondContact O-N 2.91Å; I84-R86 VanDerWaalsContact C-N 3.26Å; I84-R86 PolarHBondContact O-N 2.96Å; R86-D88 VanDerWaalsContact C-N 3.3Å; R86-D88 PolarHBondContact O-N 2.92Å; R86-Q89 PolarHBondContact O-N 3.41Å; R86-E90 WeakPolarHBondContact O-CB 3.49Å; R86-E90 VanDerWaalsContact O-CG 3.28Å; R86-E90 WeakPolarHBondContact O-CG 3.38Å; R86-E90 PolarHBondContact O-N 2.98Å
87L86.9Confident85.6Confident8 Ų880.7 Ų80.74%0.04239%0.389CS..Hα-helixtrans-63.2-39.7176.7-72.6169.9000111.1L69 L79 F83 I84 E90 K91 D92 P94 T98L69-L87 HydrophobicContact CD1-CD2 4.44Å; L79-L87 HydrophobicContact CD1-CD1 3.96Å; F83-L87 WeakPolarHBondContact O-CB 3.38Å; F83-L87 VanDerWaalsContact O-CG 3.31Å; F83-L87 WeakPolarHBondContact O-CG 3.5Å; F83-L87 PolarHBondContact O-N 3.14Å; I84-L87 PolarHBondContact O-N 3.07Å; I84-L87 VanDerWaalsContact O-N 3.14Å; L87-E90 CarbonylContact O-C 3.6Å; L87-E90 PolarHBondContact O-N 3.39Å; L87-K91 PolarHBondContact O-N 3.16Å; L87-D92 PolarHBondContact O-N 3.08Å; L87-D92 VanDerWaalsContact O-N 3.08Å; L87-P94 HydrophobicContact CD2-CB 3.77Å; L87-P94 HydrophobicContact CD2-CG 4.46Å; L87-T98 HydrophobicContact CD2-CG2 4.1Å; L87-T98 HydrophobicContact CG-CG2 4.47Å
88D85Confident85.8Confident100 Ų10080.1 Ų80.154%0.53539%0.387SS..Hα-helixtrans-61.4-44.1173.3-67.4-28.2000111.3I84 R86 K91I84-D88 PolarHBondContact O-N 3.06Å; R86-D88 VanDerWaalsContact C-N 3.3Å; R86-D88 PolarHBondContact O-N 2.92Å; D88-K91 PolarHBondContact O-N 3.17Å
89Q87.5Confident86.1Confident154 Ų15475 Ų7572%0.7236%0.363SS*.Hα-helixtrans-65.9-36.2175.9-72.9170.41.700112.9K85 R86 K91K85-Q89 VanDerWaalsContact O-CG 3.24Å; K85-Q89 WeakPolarHBondContact O-CG 3.46Å; K85-Q89 PolarHBondContact O-N 3.34Å; K85-Q89 VanDerWaalsContact O-N 3.16Å; R86-Q89 PolarHBondContact O-N 3.41Å; Q89-K91 PolarHBondContact O-N 3.31Å
90E86.2Confident86.4Confident47 Ų4778.4 Ų78.422%0.2238%0.376CS..THydrogen-bonded Turntrans-82.36.8-179.6-70180168.500113R86 L87 D92 R93 P94 T95 T98R86-E90 WeakPolarHBondContact O-CB 3.49Å; R86-E90 VanDerWaalsContact O-CG 3.28Å; R86-E90 WeakPolarHBondContact O-CG 3.38Å; R86-E90 PolarHBondContact O-N 2.98Å; L87-E90 CarbonylContact O-C 3.6Å; L87-E90 PolarHBondContact O-N 3.39Å; E90-D92 VanDerWaalsContact C-N 3.32Å; E90-D92 PolarHBondContact O-N 3.29Å; E90-R93 PolarHBondContact O-N 2.91Å; E90-R93 VanDerWaalsContact O-N 3.12Å; E90-P94 VanDerWaalsContact OE2-CA 3.27Å; E90-P94 WeakPolarHBondContact OE2-CA 3.36Å; E90-T95 VanDerWaalsContact CD-CG2 3.49Å; E90-T95 HydrophobicContact CG-CG2 4.19Å; E90-T95 WeakPolarHBondContact OE1-CB 3.19Å; E90-T95 WeakPolarHBondContact OE1-CG2 3.48Å; E90-T95 PolarHBondContact OE1-OG1 3.14Å; E90-T95 PolarHBondContact OE2-N 3.35Å; E90-T98 PolarHBondContact OE1-OG1 3.29Å; E90-T98 WeakPolarHBondContact OE2-CB 3.49Å; E90-T98 PolarHBondContact OE2-OG1 3.32Å
91K84.7Confident86.5Confident182 Ų18278.1 Ų78.179%0.79138%0.378SS*.THydrogen-bonded Turntrans49.951.3-179.2-59.2-175.8180-176.60112L87 D88 Q89 R93L87-K91 PolarHBondContact O-N 3.16Å; D88-K91 PolarHBondContact O-N 3.17Å; Q89-K91 PolarHBondContact O-N 3.31Å; K91-R93 PolarHBondContact O-N 2.88Å
92D78.5Confident86.7Confident84 Ų8471 Ų7145%0.44935%0.345SS..THydrogen-bonded Turntrans62.514.8177.2-66.2-49.9000114.8Y65 L87 E90 P94Y65-D92 VanDerWaalsContact CD2-O 3.24Å; Y65-D92 WeakPolarHBondContact CD2-O 3.5Å; Y65-D92 HydrophobicContact CE1-CB 4.14Å; Y65-D92 HydrophobicContact CE2-CB 3.72Å; Y65-D92 WeakPolarHBondContact CE2-O 3.39Å; Y65-D92 VanDerWaalsContact CZ-CB 3.45Å; Y65-D92 VanDerWaalsContact OH-CB 3.27Å; Y65-D92 WeakPolarHBondContact OH-CB 3.4Å; Y65-D92 PolarHBondContact OH-OD1 3.11Å; L87-D92 PolarHBondContact O-N 3.08Å; L87-D92 VanDerWaalsContact O-N 3.08Å; E90-D92 VanDerWaalsContact C-N 3.32Å; E90-D92 PolarHBondContact O-N 3.29Å; D92-P94 WeakPolarHBondContact O-CD 3.02Å
93R82.1Confident86.8Confident166 Ų16667.7 Ų67.763%0.62633%0.329SS*.  trans-117.283.8178.7-167.8177.2-178.9179.10.6110.5E90 K91 T95E90-R93 PolarHBondContact O-N 2.91Å; E90-R93 VanDerWaalsContact O-N 3.12Å; K91-R93 PolarHBondContact O-N 2.88Å; R93-T95 PolarHBondContact O-N 2.9Å
94P83.7Confident86.8Confident9 Ų970.1 Ų70.16%0.05834%0.342CS..  trans-60.8128.4-170.224.8-34.9000111.9Y65 L69 L87 E90 D92 T98 L99Y65-P94 HydrophobicContact CD2-CG 4.43Å; L69-P94 HydrophobicContact CD1-CB 4.38Å; L69-P94 HydrophobicContact CD1-CG 4.05Å; L87-P94 HydrophobicContact CD2-CB 3.77Å; L87-P94 HydrophobicContact CD2-CG 4.46Å; E90-P94 VanDerWaalsContact OE2-CA 3.27Å; E90-P94 WeakPolarHBondContact OE2-CA 3.36Å; D92-P94 WeakPolarHBondContact O-CD 3.02Å; P94-T98 HydrophobicContact CB-CG2 4.26Å; P94-L99 HydrophobicContact CB-CD2 3.85Å; P94-L99 HydrophobicContact CB-CG 3.96Å; P94-L99 HydrophobicContact CG-CD2 3.93Å; P94-L99 HydrophobicContact CG-CG 4.26Å
95T86.2Confident86.9Confident61 Ų6168.8 Ų68.837%0.37433%0.334SS..  trans-69.4160.2174.263.40000110.8E90 R93 A97 T98 L99E90-T95 VanDerWaalsContact CD-CG2 3.49Å; E90-T95 HydrophobicContact CG-CG2 4.19Å; E90-T95 WeakPolarHBondContact OE1-CB 3.19Å; E90-T95 WeakPolarHBondContact OE1-CG2 3.48Å; E90-T95 PolarHBondContact OE1-OG1 3.14Å; E90-T95 PolarHBondContact OE2-N 3.35Å; R93-T95 PolarHBondContact O-N 2.9Å; T95-A97 PolarHBondContact O-N 3.02Å; T95-A97 VanDerWaalsContact O-N 3.15Å; T95-T98 PolarHBondContact O-N 2.91Å; T95-T98 VanDerWaalsContact O-N 3.08Å; T95-T98 PolarHBondContact OG1-N 3.4Å; T95-T98 PolarHBondContact OG1-OG1 3.31Å; T95-L99 PolarHBondContact O-N 3.22Å
96S86.7Confident87Confident27 Ų2762.4 Ų62.419%0.18931%0.306CS..Hα-helixtrans-57-29.4173-53.20000112.2K100S96-K100 VanDerWaalsContact O-CB 3.23Å; S96-K100 WeakPolarHBondContact O-CB 3.43Å; S96-K100 PolarHBondContact O-N 3.36Å
97A87.6Confident86.9Confident71 Ų7159.3 Ų59.359%0.58730%0.298SS*.Hα-helixtrans-70.8-43175.600000111.7T95 K100 G101T95-A97 PolarHBondContact O-N 3.02Å; T95-A97 VanDerWaalsContact O-N 3.15Å; A97-K100 PolarHBondContact O-N 2.87Å; A97-G101 PolarHBondContact O-N 2.93Å
98T89.8Confident86.8Confident2 Ų263.8 Ų63.81%0.01232%0.322CS..Hα-helixtrans-62.9-47.6175-63.60000111.6F83 L87 E90 P94 T95 K100 G101 L102F83-T98 HydrophobicContact CD1-CG2 4.28Å; L87-T98 HydrophobicContact CD2-CG2 4.1Å; L87-T98 HydrophobicContact CG-CG2 4.47Å; E90-T98 PolarHBondContact OE1-OG1 3.29Å; E90-T98 WeakPolarHBondContact OE2-CB 3.49Å; E90-T98 PolarHBondContact OE2-OG1 3.32Å; P94-T98 HydrophobicContact CB-CG2 4.26Å; T95-T98 PolarHBondContact O-N 2.91Å; T95-T98 VanDerWaalsContact O-N 3.08Å; T95-T98 PolarHBondContact OG1-N 3.4Å; T95-T98 PolarHBondContact OG1-OG1 3.31Å; T98-K100 PolarHBondContact O-N 3.26Å; T98-G101 PolarHBondContact O-N 2.82Å; T98-L102 HydrophobicContact CG2-CD1 4.19Å; T98-L102 PolarHBondContact O-N 3.24Å
99L90.8Very high86.7Confident0 Ų062.6 Ų62.60%032%0.316CS..Hα-helixtrans-61.8-42.2176.5-68.5178.3000112.4F34 V38 Y41 I64 L69 P94 T95 L102 R103F34-L99 HydrophobicContact CZ-CD2 4.5Å; V38-L99 HydrophobicContact CG1-CB 3.95Å; V38-L99 HydrophobicContact CG2-CB 4.41Å; V38-L99 HydrophobicContact CG2-CD2 4.26Å; Y41-L99 HydrophobicContact CD1-CD1 3.58Å; Y41-L99 HydrophobicContact CE1-CD1 3.49Å; Y41-L99 VanDerWaalsContact CE1-CD1 3.49Å; Y41-L99 HydrophobicContact CG-CD1 4.4Å; I64-L99 HydrophobicContact CG2-CD2 3.93Å; L69-L99 HydrophobicContact CD1-CD2 3.99Å; P94-L99 HydrophobicContact CB-CD2 3.85Å; P94-L99 HydrophobicContact CB-CG 3.96Å; P94-L99 HydrophobicContact CG-CD2 3.93Å; P94-L99 HydrophobicContact CG-CG 4.26Å; T95-L99 PolarHBondContact O-N 3.22Å; L99-L102 PolarHBondContact O-N 3.4Å; L99-R103 WeakPolarHBondContact O-CB 3.4Å; L99-R103 PolarHBondContact O-N 2.86Å
100K90Very high86.5Confident109 Ų10955.7 Ų55.747%0.47428%0.284SS..Hα-helixtrans-61-45.6175.6-173.7-178.6177.8-174.90111.2L42 S96 A97 T98 R103 D104L42-K100 HydrophobicContact CD1-CB 4.16Å; L42-K100 HydrophobicContact CD1-CG 4.38Å; S96-K100 VanDerWaalsContact O-CB 3.23Å; S96-K100 WeakPolarHBondContact O-CB 3.43Å; S96-K100 PolarHBondContact O-N 3.36Å; A97-K100 PolarHBondContact O-N 2.87Å; T98-K100 PolarHBondContact O-N 3.26Å; K100-R103 WeakPolarHBondContact O-CB 3.4Å; K100-R103 PolarHBondContact O-N 2.91Å; K100-D104 PolarHBondContact O-N 2.98Å
101G90Very high86.4Confident20 Ų2056.7 Ų56.721%0.20629%0.291CS..Hα-helixtrans-63.6-40.817800000113.3F83 A97 T98 D104 H105F83-G101 VanDerWaalsContact CZ-O 3.29Å; F83-G101 WeakPolarHBondContact CZ-O 2.99Å; A97-G101 PolarHBondContact O-N 2.93Å; T98-G101 PolarHBondContact O-N 2.82Å; G101-D104 PolarHBondContact O-N 3.45Å; G101-H105 PolarHBondContact O-N 3.3Å; G101-H105 VanDerWaalsContact O-N 3.07Å
102L90.6Very high86.3Confident0 Ų051.9 Ų51.90%028%0.28CS..Hα-helixtrans-64.5-45.3175.1-81.8167000111.4F34 L69 L79 F83 T98 L99 D104 H105 H106F34-L102 HydrophobicContact CE1-CB 3.89Å; F34-L102 HydrophobicContact CZ-CB 3.8Å; F34-L102 HydrophobicContact CZ-CD1 4.29Å; L69-L102 HydrophobicContact CD1-CD1 4.3Å; L69-L102 HydrophobicContact CD2-CD1 3.95Å; L79-L102 HydrophobicContact CD2-CD1 4.39Å; L79-L102 HydrophobicContact CD2-CD2 3.7Å; F83-L102 HydrophobicContact CB-CD2 3.73Å; F83-L102 HydrophobicContact CB-CG 4.17Å; F83-L102 HydrophobicContact CD1-CD2 4.2Å; F83-L102 HydrophobicContact CD1-CG 3.9Å; F83-L102 HydrophobicContact CD2-CD2 3.4Å; F83-L102 HydrophobicContact CD2-CG 3.95Å; F83-L102 HydrophobicContact CE1-CG 4.25Å; F83-L102 HydrophobicContact CE2-CD2 3.97Å; F83-L102 HydrophobicContact CE2-CG 4.25Å; F83-L102 HydrophobicContact CG-CD2 3.53Å; F83-L102 HydrophobicContact CG-CG 3.76Å; F83-L102 HydrophobicContact CZ-CG 4.43Å; T98-L102 HydrophobicContact CG2-CD1 4.19Å; T98-L102 PolarHBondContact O-N 3.24Å; L99-L102 PolarHBondContact O-N 3.4Å; L102-D104 VanDerWaalsContact C-N 3.34Å; L102-D104 PolarHBondContact O-N 2.96Å; L102-H105 WeakPolarHBondContact O-CB 3.34Å; L102-H105 PolarHBondContact O-N 2.75Å; L102-H106 PolarHBondContact O-CD2 2.61Å; L102-H106 PolarHBondContact O-N 3.1Å
103R89.8Confident86.5Confident51 Ų5150.2 Ų50.219%0.19227%0.271CS..Hα-helixtrans-55.9-49.3175.3180-155.363.7175.23.6111.2I35 V38 N39 L99 K100 H105 H106 L107I35-R103 HydrophobicContact CB-CG 4.41Å; I35-R103 HydrophobicContact CG1-CG 4.21Å; I35-R103 HydrophobicContact CG2-CG 4Å; V38-R103 HydrophobicContact CB-CB 4.4Å; V38-R103 HydrophobicContact CG1-CB 3.89Å; V38-R103 HydrophobicContact CG1-CG 4.34Å; N39-R103 WeakPolarHBondContact OD1-CD 3.42Å; N39-R103 PolarHBondContact OD1-NH1 3Å; L99-R103 WeakPolarHBondContact O-CB 3.4Å; L99-R103 PolarHBondContact O-N 2.86Å; K100-R103 WeakPolarHBondContact O-CB 3.4Å; K100-R103 PolarHBondContact O-N 2.91Å; R103-H105 VanDerWaalsContact C-N 3.28Å; R103-H105 PolarHBondContact O-N 2.84Å; R103-H106 PolarHBondContact O-N 3.49Å; R103-L107 VanDerWaalsContact O-CB 3.32Å; R103-L107 WeakPolarHBondContact O-CB 3.45Å; R103-L107 PolarHBondContact O-N 2.74Å
104D88.2Confident86.7Confident55 Ų5543.4 Ų43.429%0.29425%0.246SC..Hα-helixtrans-64.5-36.1-178.1-63.1-14.6000111.2K100 G101 L102 N108K100-D104 PolarHBondContact O-N 2.98Å; G101-D104 PolarHBondContact O-N 3.45Å; L102-D104 VanDerWaalsContact C-N 3.34Å; L102-D104 PolarHBondContact O-N 2.96Å; D104-N108 VanDerWaalsContact O-CG 3.24Å; D104-N108 PolarHBondContact O-N 3.47Å; D104-N108 PolarHBondContact O-OD1 2.84Å
105H89.2Confident86.8Confident47 Ų4747.1 Ų47.122%0.21827%0.265CS..Hα-helixtrans-63.1-49.2173.7176.766.6000112.4P80 F83 G101 L102 R103 L107 N108 N109P80-H105 WeakPolarHBondContact CG-CD2 3.43Å; P80-H105 WeakPolarHBondContact CG-NE2 3.29Å; F83-H105 HydrophobicContact CE2-CB 4.17Å; G101-H105 PolarHBondContact O-N 3.3Å; G101-H105 VanDerWaalsContact O-N 3.07Å; L102-H105 WeakPolarHBondContact O-CB 3.34Å; L102-H105 PolarHBondContact O-N 2.75Å; R103-H105 VanDerWaalsContact C-N 3.28Å; R103-H105 PolarHBondContact O-N 2.84Å; H105-L107 VanDerWaalsContact C-N 3.33Å; H105-L107 PolarHBondContact O-N 3.33Å; H105-N108 PolarHBondContact O-N 2.9Å; H105-N109 PolarHBondContact NE2-ND2 3.32Å; H105-N109 PolarHBondContact O-N 3.48Å; H105-N109 PolarHBondContact O-OD1 2.84Å
106H87Confident86.9Confident0 Ų049 Ų490%027%0.269CS..Hα-helixtrans-70.7-29.9180-71-57.2000113.3H31 F34 I35 E78 L102 R103 N109 L110H31-H106 AromaticContact CE1-CE1 3.53Å; H31-H106 AromaticContact CE1-ND1 3.52Å; H31-H106 AromaticContact ND1-CE1 3.32Å; H31-H106 PolarHBondContact ND1-CE1 3.23Å; H31-H106 VanDerWaalsContact ND1-CE1 3.32Å; H31-H106 AromaticContact ND1-CG 3.71Å; H31-H106 AromaticContact ND1-ND1 2.99Å; H31-H106 PolarHBondContact ND1-ND1 2.97Å; F34-H106 AromaticContact CD1-CD2 3.9Å; F34-H106 AromaticContact CE1-CD2 3.83Å; I35-H106 HydrophobicContact CD1-CB 3.88Å; I35-H106 HydrophobicContact CG1-CB 4.09Å; E78-H106 PolarHBondContact O-CE1 3.49Å; E78-H106 PolarHBondContact O-NE2 3.48Å; L102-H106 PolarHBondContact O-CD2 2.61Å; L102-H106 PolarHBondContact O-N 3.1Å; R103-H106 PolarHBondContact O-N 3.49Å; H106-N109 PolarHBondContact O-N 3.39Å; H106-L110 WeakPolarHBondContact O-CG 3.49Å; H106-L110 PolarHBondContact O-N 2.77Å; H106-L110 VanDerWaalsContact O-N 3.09Å
107L85.5Confident87Confident52 Ų5247.8 Ų47.827%0.27226%0.261SS..Hα-helixtrans-59.4-49.1172.9-170.379000110.3L2 I35 R103 H105 N109 L110 D111L2-L107 HydrophobicContact CD1-CD1 3.47Å; L2-L107 VanDerWaalsContact CD1-CD1 3.47Å; I35-L107 HydrophobicContact CD1-CB 4.33Å; I35-L107 HydrophobicContact CD1-CD1 4.4Å; R103-L107 VanDerWaalsContact O-CB 3.32Å; R103-L107 WeakPolarHBondContact O-CB 3.45Å; R103-L107 PolarHBondContact O-N 2.74Å; H105-L107 VanDerWaalsContact C-N 3.33Å; H105-L107 PolarHBondContact O-N 3.33Å; L107-N109 PolarHBondContact O-N 2.91Å; L107-L110 CarbonylContact O-C 3.59Å; L107-L110 PolarHBondContact O-N 3.48Å; L107-D111 PolarHBondContact O-N 2.89Å
108N84.6Confident87Confident102 Ų10244.5 Ų44.555%0.54523%0.233SC..Hα-helixtrans-60.8-34.8178.3-65.3-8.4000112.5D104 H105 L110 D111D104-N108 VanDerWaalsContact O-CG 3.24Å; D104-N108 PolarHBondContact O-N 3.47Å; D104-N108 PolarHBondContact O-OD1 2.84Å; H105-N108 PolarHBondContact O-N 2.9Å; N108-L110 VanDerWaalsContact C-N 3.3Å; N108-D111 PolarHBondContact O-N 3.26Å
109N82.3Confident86.9Confident75 Ų7549 Ų4940%0.40126%0.258SS..Hα-helixtrans-69.7-29.2176.3-64.5-3000112.1H105 H106 L107H105-N109 PolarHBondContact NE2-ND2 3.32Å; H105-N109 PolarHBondContact O-N 3.48Å; H105-N109 PolarHBondContact O-OD1 2.84Å; H106-N109 PolarHBondContact O-N 3.39Å; L107-N109 PolarHBondContact O-N 2.91Å
110L83.8Confident86.6Confident10 Ų1052.2 Ų52.25%0.05228%0.277CS..Hα-helixtrans-87.3-13.3177.1-69.7178.2000113.2P28 H31 L32 I35 H106 L107 N108 S112 L113 F114P28-L110 HydrophobicContact CB-CD2 4.01Å; H31-L110 HydrophobicContact CB-CD1 4.24Å; H31-L110 HydrophobicContact CB-CD2 4.45Å; H31-L110 HydrophobicContact CB-CG 4.47Å; L32-L110 HydrophobicContact CB-CD1 4.06Å; L32-L110 HydrophobicContact CD1-CD1 4.42Å; I35-L110 HydrophobicContact CD1-CD1 3.64Å; H106-L110 WeakPolarHBondContact O-CG 3.49Å; H106-L110 PolarHBondContact O-N 2.77Å; H106-L110 VanDerWaalsContact O-N 3.09Å; L107-L110 CarbonylContact O-C 3.59Å; L107-L110 PolarHBondContact O-N 3.48Å; N108-L110 VanDerWaalsContact C-N 3.3Å; L110-S112 VanDerWaalsContact C-N 3.3Å; L110-S112 PolarHBondContact O-N 3.25Å; L110-L113 HydrophobicContact CD2-CD1 4.01Å; L110-L113 PolarHBondContact O-N 3.46Å; L110-F114 VanDerWaalsContact O-CB 3.3Å; L110-F114 WeakPolarHBondContact O-CB 3.32Å; L110-F114 PolarHBondContact O-N 2.83Å
111D82.9Confident86.3Confident68 Ų6847.8 Ų47.836%0.36426%0.259SS..Hα-helixtrans-59.4-39.3-176.3-80.7-20.3000112.4L107 N108 F114 N115L107-D111 PolarHBondContact O-N 2.89Å; N108-D111 PolarHBondContact O-N 3.26Å; D111-F114 PolarHBondContact O-N 2.99Å; D111-N115 WeakPolarHBondContact O-CB 3.45Å; D111-N115 VanDerWaalsContact O-CG 3.26Å; D111-N115 PolarHBondContact O-N 2.85Å; D111-N115 PolarHBondContact O-ND2 3.43Å
112S82.2Confident86Confident81 Ų8147 Ų4757%0.56625%0.251SS*.Hα-helixtrans-63.5-49.5176.355.20000111.6L110 F114 N115 E116L110-S112 VanDerWaalsContact C-N 3.3Å; L110-S112 PolarHBondContact O-N 3.25Å; S112-F114 VanDerWaalsContact C-N 3.32Å; S112-F114 PolarHBondContact O-N 3.09Å; S112-N115 PolarHBondContact O-N 3.42Å; S112-E116 PolarHBondContact O-N 2.91Å
113L84.6Confident85.6Confident48 Ų4855.8 Ų55.825%0.25129%0.289SS..Hα-helixtrans-62.4-38.5177.2-73.1169.6000112F11 W14 P28 L110 E116 F117F11-L113 HydrophobicContact CZ-CB 4.43Å; W14-L113 WeakPolarHBondContact CZ3-O 3.17Å; P28-L113 HydrophobicContact CB-CD1 4.06Å; L110-L113 HydrophobicContact CD2-CD1 4.01Å; L110-L113 PolarHBondContact O-N 3.46Å; L113-E116 PolarHBondContact O-N 3.09Å; L113-F117 WeakPolarHBondContact O-CB 3.18Å; L113-F117 PolarHBondContact O-N 2.8Å
114F85.3Confident85.2Confident24 Ų2461 Ų6111%0.10531%0.313CS..Hα-helixtrans-67.9-41.3177.7-171.6-109.8000111.4M1 F11 L110 D111 S112 E116 F117 L118M1-F114 HydrophobicContact SD-CE1 3.9Å; F11-F114 HydrophobicContact CB-CD2 4.44Å; F11-F114 HydrophobicContact CB-CE2 4.31Å; F11-F114 AromaticContact CD1-CD2 3.67Å; F11-F114 HydrophobicContact CD1-CD2 3.67Å; F11-F114 HydrophobicContact CD1-CE2 4.14Å; F11-F114 AromaticContact CD2-CD2 3.85Å; F11-F114 HydrophobicContact CD2-CD2 3.85Å; F11-F114 HydrophobicContact CD2-CE2 4.49Å; F11-F114 HydrophobicContact CE1-CB 4.31Å; F11-F114 AromaticContact CE1-CD2 3.71Å; F11-F114 HydrophobicContact CE1-CD2 3.71Å; F11-F114 HydrophobicContact CE1-CG 4.46Å; F11-F114 HydrophobicContact CE2-CB 4.16Å; F11-F114 AromaticContact CE2-CD2 3.88Å; F11-F114 HydrophobicContact CE2-CD2 3.88Å; F11-F114 AromaticContact CG-CD2 3.73Å; F11-F114 HydrophobicContact CG-CD2 3.73Å; F11-F114 HydrophobicContact CG-CE2 4.08Å; F11-F114 HydrophobicContact CZ-CB 3.8Å; F11-F114 AromaticContact CZ-CD2 3.79Å; F11-F114 HydrophobicContact CZ-CD2 3.79Å; F11-F114 HydrophobicContact CZ-CG 4.31Å; L110-F114 VanDerWaalsContact O-CB 3.3Å; L110-F114 WeakPolarHBondContact O-CB 3.32Å; L110-F114 PolarHBondContact O-N 2.83Å; D111-F114 PolarHBondContact O-N 2.99Å; S112-F114 VanDerWaalsContact C-N 3.32Å; S112-F114 PolarHBondContact O-N 3.09Å; F114-E116 VanDerWaalsContact C-N 3.33Å; F114-E116 PolarHBondContact O-N 2.68Å; F114-F117 AromaticContact CD2-CD1 3.93Å; F114-F117 HydrophobicContact CD2-CD1 3.93Å; F114-F117 AromaticContact CE2-CD1 3.86Å; F114-F117 HydrophobicContact CE2-CD1 3.86Å; F114-F117 HydrophobicContact CE2-CE1 4.02Å; F114-F117 WeakPolarHBondContact O-CB 3.39Å; F114-F117 PolarHBondContact O-N 3.07Å; F114-L118 HydrophobicContact CD1-CD1 3.88Å; F114-L118 HydrophobicContact CD1-CG 4.27Å; F114-L118 HydrophobicContact CE1-CD1 3.56Å; F114-L118 HydrophobicContact CE1-CD2 4.34Å; F114-L118 HydrophobicContact CE1-CG 3.99Å; F114-L118 HydrophobicContact CZ-CD1 4.21Å; F114-L118 HydrophobicContact CZ-CD2 4.15Å; F114-L118 HydrophobicContact CZ-CG 4.2Å; F114-L118 WeakPolarHBondContact O-CG 3.44Å; F114-L118 PolarHBondContact O-N 3.5Å
115N86.2Confident84.8Confident86 Ų8660.2 Ų60.246%0.4631%0.308SS..Hα-helixtrans-63.8-39.1173.7-75.3-47.8000111.8D111 S112 L118 N119D111-N115 WeakPolarHBondContact O-CB 3.45Å; D111-N115 VanDerWaalsContact O-CG 3.26Å; D111-N115 PolarHBondContact O-N 2.85Å; D111-N115 PolarHBondContact O-ND2 3.43Å; S112-N115 PolarHBondContact O-N 3.42Å; N115-L118 PolarHBondContact O-N 2.97Å; N115-N119 PolarHBondContact O-N 3.27Å; N115-N119 PolarHBondContact O-ND2 3.08Å
116E87Confident84.2Confident100 Ų10061.3 Ų61.347%0.46733%0.333SS..Hα-helixtrans-62.1-48.9173-173.6177.5178.100111.6W14 S112 L113 F114 L118 N119 V120W14-E116 HydrophobicContact CH2-CB 4.08Å; W14-E116 HydrophobicContact CH2-CG 3.94Å; W14-E116 HydrophobicContact CZ2-CG 4.19Å; S112-E116 PolarHBondContact O-N 2.91Å; L113-E116 PolarHBondContact O-N 3.09Å; F114-E116 VanDerWaalsContact C-N 3.33Å; F114-E116 PolarHBondContact O-N 2.68Å; E116-L118 VanDerWaalsContact C-N 3.31Å; E116-L118 PolarHBondContact O-N 2.78Å; E116-N119 WeakPolarHBondContact O-CB 3.38Å; E116-N119 PolarHBondContact O-N 3.03Å; E116-N119 VanDerWaalsContact O-N 3.14Å; E116-V120 HydrophobicContact CG-CG2 4.43Å; E116-V120 WeakPolarHBondContact O-CG2 3.32Å; E116-V120 PolarHBondContact O-N 3.13Å
117F88.9Confident84Confident3 Ų363.4 Ų63.41%0.01334%0.343CS..Hα-helixtrans-53.5-46.8173.7159.3-104.2000112.3L10 F11 W14 L113 F114 N119 V120 T121L10-F117 HydrophobicContact CB-CE2 4Å; L10-F117 HydrophobicContact CB-CZ 3.8Å; F11-F117 HydrophobicContact CB-CD1 4.07Å; F11-F117 HydrophobicContact CB-CD2 4.5Å; F11-F117 HydrophobicContact CB-CE1 3.91Å; F11-F117 HydrophobicContact CB-CE2 4.34Å; F11-F117 HydrophobicContact CB-CG 4.37Å; F11-F117 HydrophobicContact CB-CZ 4.05Å; F11-F117 HydrophobicContact CD2-CB 3.6Å; F11-F117 AromaticContact CD2-CD1 3.69Å; F11-F117 HydrophobicContact CD2-CD1 3.69Å; F11-F117 HydrophobicContact CD2-CD2 4.02Å; F11-F117 HydrophobicContact CD2-CE1 4.38Å; F11-F117 AromaticContact CD2-CG 3.48Å; F11-F117 HydrophobicContact CD2-CG 3.48Å; F11-F117 VanDerWaalsContact CD2-CG 3.48Å; F11-F117 HydrophobicContact CE2-CB 3.79Å; F11-F117 HydrophobicContact CE2-CD1 4.47Å; F11-F117 HydrophobicContact CE2-CG 4.18Å; F11-F117 HydrophobicContact CG-CD1 4.17Å; F11-F117 HydrophobicContact CG-CE1 4.48Å; F11-F117 HydrophobicContact CG-CG 4.32Å; W14-F117 HydrophobicContact CB-CD2 3.83Å; W14-F117 HydrophobicContact CB-CE2 4.2Å; W14-F117 HydrophobicContact CD2-CB 4.01Å; W14-F117 AromaticContact CD2-CD2 3.96Å; W14-F117 HydrophobicContact CD2-CD2 3.96Å; W14-F117 HydrophobicContact CD2-CG 4.46Å; W14-F117 HydrophobicContact CE3-CB 3.67Å; W14-F117 HydrophobicContact CE3-CD2 4.25Å; W14-F117 HydrophobicContact CE3-CG 4.36Å; W14-F117 AromaticContact CG-CD2 3.79Å; W14-F117 HydrophobicContact CG-CD2 3.79Å; W14-F117 HydrophobicContact CH2-CB 4.15Å; W14-F117 HydrophobicContact CZ2-CB 4.49Å; W14-F117 HydrophobicContact CZ3-CB 3.74Å; L113-F117 WeakPolarHBondContact O-CB 3.18Å; L113-F117 PolarHBondContact O-N 2.8Å; F114-F117 AromaticContact CD2-CD1 3.93Å; F114-F117 HydrophobicContact CD2-CD1 3.93Å; F114-F117 AromaticContact CE2-CD1 3.86Å; F114-F117 HydrophobicContact CE2-CD1 3.86Å; F114-F117 HydrophobicContact CE2-CE1 4.02Å; F114-F117 WeakPolarHBondContact O-CB 3.39Å; F114-F117 PolarHBondContact O-N 3.07Å; F117-N119 VanDerWaalsContact C-N 3.34Å; F117-N119 PolarHBondContact O-N 3.43Å; F117-V120 PolarHBondContact O-N 3.28Å; F117-T121 WeakPolarHBondContact CD2-OG1 3.12Å; F117-T121 WeakPolarHBondContact CE2-OG1 3.26Å; F117-T121 HydrophobicContact CZ-CG2 4.49Å; F117-T121 WeakPolarHBondContact O-CB 3.36Å; F117-T121 PolarHBondContact O-N 3.12Å; F117-T121 PolarHBondContact O-OG1 2.89Å
118L87.7Confident83.9Confident1 Ų163.3 Ų63.31%0.00535%0.347CS..Hα-helixtrans-62.4-43.1179-74.6177.7000111M1 F114 N115 E116 T121 A122 V129 L132M1-L118 HydrophobicContact CE-CD1 4.41Å; F114-L118 HydrophobicContact CD1-CD1 3.88Å; F114-L118 HydrophobicContact CD1-CG 4.27Å; F114-L118 HydrophobicContact CE1-CD1 3.56Å; F114-L118 HydrophobicContact CE1-CD2 4.34Å; F114-L118 HydrophobicContact CE1-CG 3.99Å; F114-L118 HydrophobicContact CZ-CD1 4.21Å; F114-L118 HydrophobicContact CZ-CD2 4.15Å; F114-L118 HydrophobicContact CZ-CG 4.2Å; F114-L118 WeakPolarHBondContact O-CG 3.44Å; F114-L118 PolarHBondContact O-N 3.5Å; N115-L118 PolarHBondContact O-N 2.97Å; E116-L118 VanDerWaalsContact C-N 3.31Å; E116-L118 PolarHBondContact O-N 2.78Å; L118-T121 PolarHBondContact O-N 2.67Å; L118-A122 WeakPolarHBondContact O-CB 3.43Å; L118-A122 PolarHBondContact O-N 3.06Å; L118-V129 HydrophobicContact CB-CG1 4.1Å; L118-V129 HydrophobicContact CB-CG2 4.43Å; L118-V129 HydrophobicContact CD1-CG1 4.14Å; L118-L132 HydrophobicContact CD2-CD2 3.85Å; L118-L132 HydrophobicContact CD2-CG 4.49Å
119N87.6Confident83.9Confident98 Ų9860.3 Ų60.352%0.52433%0.333SS..Hα-helixtrans-62.7-46.5176.6-76.6-46.1000111.9N115 E116 F117 K123 V129N115-N119 PolarHBondContact O-N 3.27Å; N115-N119 PolarHBondContact O-ND2 3.08Å; E116-N119 WeakPolarHBondContact O-CB 3.38Å; E116-N119 PolarHBondContact O-N 3.03Å; E116-N119 VanDerWaalsContact O-N 3.14Å; F117-N119 VanDerWaalsContact C-N 3.34Å; F117-N119 PolarHBondContact O-N 3.43Å; N119-K123 VanDerWaalsContact O-CB 3.23Å; N119-K123 WeakPolarHBondContact O-CB 3.37Å; N119-K123 PolarHBondContact O-N 2.86Å; N119-V129 WeakPolarHBondContact OD1-CG2 3.45Å
120V86.3Confident84Confident66 Ų6660.7 Ų60.740%0.434%0.339SS..Hα-helixtrans-63.4-45178.6172.70000110.8E116 F117 K124E116-V120 HydrophobicContact CG-CG2 4.43Å; E116-V120 WeakPolarHBondContact O-CG2 3.32Å; E116-V120 PolarHBondContact O-N 3.13Å; F117-V120 PolarHBondContact O-N 3.28Å; V120-K124 WeakPolarHBondContact O-CB 3.45Å; V120-K124 PolarHBondContact O-N 2.84Å
121T82.4Confident83.9Confident17 Ų1765 Ų6510%0.10436%0.359CS..Hα-helixtrans-70.1-44.8-178.3-58.30000111.5F117 L118 K123 K124 L125 L132F117-T121 WeakPolarHBondContact CD2-OG1 3.12Å; F117-T121 WeakPolarHBondContact CE2-OG1 3.26Å; F117-T121 HydrophobicContact CZ-CG2 4.49Å; F117-T121 WeakPolarHBondContact O-CB 3.36Å; F117-T121 PolarHBondContact O-N 3.12Å; F117-T121 PolarHBondContact O-OG1 2.89Å; L118-T121 PolarHBondContact O-N 2.67Å; T121-K123 VanDerWaalsContact C-N 3.33Å; T121-K123 PolarHBondContact O-N 3.37Å; T121-K124 PolarHBondContact O-N 3.07Å; T121-L125 HydrophobicContact CG2-CD1 4Å; T121-L125 HydrophobicContact CG2-CG 4.4Å; T121-L125 WeakPolarHBondContact O-CB 3.5Å; T121-L125 WeakPolarHBondContact O-CG 3.25Å; T121-L125 PolarHBondContact O-N 3.41Å; T121-L132 HydrophobicContact CG2-CD1 4.47Å; T121-L132 HydrophobicContact CG2-CD2 3.94Å
122A84.5Confident83.8Confident3 Ų361.8 Ų61.83%0.02534%0.342CS..Hα-helixtrans-59.6-45.817600000110.5L118 K124 L125 G126 L127 V129 L132L118-A122 WeakPolarHBondContact O-CB 3.43Å; L118-A122 PolarHBondContact O-N 3.06Å; A122-K124 PolarHBondContact O-N 3.39Å; A122-L125 PolarHBondContact O-N 2.9Å; A122-G126 PolarHBondContact O-N 2.92Å; A122-L127 CarbonylContact C-O 3.37Å; A122-L127 WeakPolarHBondContact CB-O 3.34Å; A122-L127 PolarHBondContact O-N 2.99Å; A122-L127 VanDerWaalsContact O-O 3.12Å; A122-V129 HydrophobicContact CB-CG2 3.98Å; A122-L132 HydrophobicContact CB-CB 4.45Å; A122-L132 HydrophobicContact CB-CD2 4.02Å
123K82.7Confident83.7Confident184 Ų18459.9 Ų59.980%0.833%0.328SS*.Hα-helixtrans-61.1-41.7174.6-171.7176.6-178.8179.90112.6N119 T121 L125 G126N119-K123 VanDerWaalsContact O-CB 3.23Å; N119-K123 WeakPolarHBondContact O-CB 3.37Å; N119-K123 PolarHBondContact O-N 2.86Å; T121-K123 VanDerWaalsContact C-N 3.33Å; T121-K123 PolarHBondContact O-N 3.37Å; K123-L125 VanDerWaalsContact C-N 3.32Å; K123-L125 PolarHBondContact O-N 2.95Å; K123-G126 PolarHBondContact O-N 3.35Å
124K80.8Confident83.6Confident162 Ų16265.4 Ų65.470%0.70435%0.353SS*.Hα-helixtrans-65-34.9178.3-173.4179.7178.8-175.40112.6V120 T121 A122V120-K124 WeakPolarHBondContact O-CB 3.45Å; V120-K124 PolarHBondContact O-N 2.84Å; T121-K124 PolarHBondContact O-N 3.07Å; A122-K124 PolarHBondContact O-N 3.39Å
125L79.1Confident83.1Confident37 Ų3766.1 Ų66.119%0.19436%0.357CS..Hα-helixtrans-89.9-4.8179.8-62.1-178.5000113.6T121 A122 K123 L127 L132 L140 L143 V144T121-L125 HydrophobicContact CG2-CD1 4Å; T121-L125 HydrophobicContact CG2-CG 4.4Å; T121-L125 WeakPolarHBondContact O-CB 3.5Å; T121-L125 WeakPolarHBondContact O-CG 3.25Å; T121-L125 PolarHBondContact O-N 3.41Å; A122-L125 PolarHBondContact O-N 2.9Å; K123-L125 VanDerWaalsContact C-N 3.32Å; K123-L125 PolarHBondContact O-N 2.95Å; L125-L127 VanDerWaalsContact C-N 3.34Å; L125-L127 HydrophobicContact CB-CD1 3.95Å; L125-L127 HydrophobicContact CB-CG 4.09Å; L125-L127 HydrophobicContact CD1-CD1 4.29Å; L125-L132 HydrophobicContact CD1-CD1 4.04Å; L125-L140 HydrophobicContact CD1-CD1 4.02Å; L125-L143 HydrophobicContact CD1-CB 4.37Å; L125-L143 HydrophobicContact CD2-CB 4.07Å; L125-L143 VanDerWaalsContact CD2-O 3.29Å; L125-L143 WeakPolarHBondContact CD2-O 3.31Å; L125-V144 HydrophobicContact CD1-CG2 3.99Å
126G77.9Confident82.7Confident71 Ų7164.3 Ų64.373%0.73235%0.351SS*.THydrogen-bonded Turntrans70.428-175.700000113.8A122 K123A122-G126 PolarHBondContact O-N 2.92Å; K123-G126 PolarHBondContact O-N 3.35Å
127L81.7Confident82.1Confident43 Ų4363.5 Ų63.523%0.22535%0.347CS..  trans-112.6160.6-178.4-61.8172.9000111A122 L125 Q131 L132 M135 L143A122-L127 CarbonylContact C-O 3.37Å; A122-L127 WeakPolarHBondContact CB-O 3.34Å; A122-L127 PolarHBondContact O-N 2.99Å; A122-L127 VanDerWaalsContact O-O 3.12Å; L125-L127 VanDerWaalsContact C-N 3.34Å; L125-L127 HydrophobicContact CB-CD1 3.95Å; L125-L127 HydrophobicContact CB-CG 4.09Å; L125-L127 HydrophobicContact CD1-CD1 4.29Å; L127-Q131 HydrophobicContact CB-CB 4.48Å; L127-L132 HydrophobicContact CD1-CD1 4.35Å; L127-M135 HydrophobicContact CD1-SD 3.46Å; L127-M135 WeakPolarHBondContact CD1-SD 3.48Å; L127-L143 HydrophobicContact CD1-CD1 3.97Å
128S83.9Confident81.3Confident51 Ų5169.3 Ų69.336%0.35738%0.377SS..  trans-82154.4162.467.70000110.9Q131 L132S128-Q131 WeakPolarHBondContact O-CB 3.5Å; S128-Q131 PolarHBondContact O-N 3.45Å; S128-Q131 VanDerWaalsContact O-N 3.11Å; S128-Q131 WeakPolarHBondContact OG-CB 3.39Å; S128-Q131 VanDerWaalsContact OG-CG 3.22Å; S128-Q131 WeakPolarHBondContact OG-CG 3.1Å; S128-Q131 PolarHBondContact OG-N 3.01Å; S128-Q131 PolarHBondContact OG-OE1 2.95Å; S128-L132 PolarHBondContact O-N 3.11Å
129V84.1Confident80.6Confident39 Ų3973.4 Ų73.424%0.23640%0.399CS..Hα-helixtrans-56-44.2177.31750000112.3L118 N119 A122 Q131 L132 C133L118-V129 HydrophobicContact CB-CG1 4.1Å; L118-V129 HydrophobicContact CB-CG2 4.43Å; L118-V129 HydrophobicContact CD1-CG1 4.14Å; N119-V129 WeakPolarHBondContact OD1-CG2 3.45Å; A122-V129 HydrophobicContact CB-CG2 3.98Å; V129-Q131 VanDerWaalsContact C-N 3.32Å; V129-Q131 PolarHBondContact O-N 3.19Å; V129-L132 PolarHBondContact O-N 3.36Å; V129-C133 PolarHBondContact O-N 3.17Å; V129-C133 PolarHBondContact O-SG 3.47Å
130P85Confident79.8Confident83 Ų8368.7 Ų68.754%0.53937%0.374SS..Hα-helixtrans-59.5-39.8175.4-25.335.6000113.4C133 Q134P130-C133 PolarHBondContact O-N 3.27Å; P130-Q134 WeakPolarHBondContact O-CB 3.41Å; P130-Q134 VanDerWaalsContact O-CG 3.24Å; P130-Q134 WeakPolarHBondContact O-CG 3.45Å; P130-Q134 PolarHBondContact O-N 3.18Å; P130-Q134 VanDerWaalsContact O-N 3.15Å
131Q80.3Confident79.1Confident100 Ų10067.4 Ų67.447%0.46737%0.37SS..Hα-helixtrans-63-50.6175.7-74.6166.2-40.500110.5L127 S128 V129 C133 Q134 M135L127-Q131 HydrophobicContact CB-CB 4.48Å; S128-Q131 WeakPolarHBondContact O-CB 3.5Å; S128-Q131 PolarHBondContact O-N 3.45Å; S128-Q131 VanDerWaalsContact O-N 3.11Å; S128-Q131 WeakPolarHBondContact OG-CB 3.39Å; S128-Q131 VanDerWaalsContact OG-CG 3.22Å; S128-Q131 WeakPolarHBondContact OG-CG 3.1Å; S128-Q131 PolarHBondContact OG-N 3.01Å; S128-Q131 PolarHBondContact OG-OE1 2.95Å; V129-Q131 VanDerWaalsContact C-N 3.32Å; V129-Q131 PolarHBondContact O-N 3.19Å; Q131-C133 VanDerWaalsContact C-N 3.25Å; Q131-C133 PolarHBondContact O-N 3.21Å; Q131-Q134 PolarHBondContact O-N 2.74Å; Q131-M135 VanDerWaalsContact O-CG 3.32Å; Q131-M135 WeakPolarHBondContact O-CG 3.29Å; Q131-M135 PolarHBondContact O-N 3.48Å
132L81Confident78.4Confident0 Ų071 Ų710%039%0.394CS..Hα-helixtrans-54.2-42.4179.4-179.962.8000112.2L7 L118 T121 A122 L125 L127 S128 V129 Q134 L140L7-L132 HydrophobicContact CD2-CD1 4.08Å; L7-L132 HydrophobicContact CD2-CG 4.21Å; L118-L132 HydrophobicContact CD2-CD2 3.85Å; L118-L132 HydrophobicContact CD2-CG 4.49Å; T121-L132 HydrophobicContact CG2-CD1 4.47Å; T121-L132 HydrophobicContact CG2-CD2 3.94Å; A122-L132 HydrophobicContact CB-CB 4.45Å; A122-L132 HydrophobicContact CB-CD2 4.02Å; L125-L132 HydrophobicContact CD1-CD1 4.04Å; L127-L132 HydrophobicContact CD1-CD1 4.35Å; S128-L132 PolarHBondContact O-N 3.11Å; V129-L132 PolarHBondContact O-N 3.36Å; L132-Q134 VanDerWaalsContact C-N 3.34Å; L132-L140 HydrophobicContact CD1-CD1 3.38Å
133C81.8Confident77.5Confident42 Ų4274.2 Ų74.228%0.28441%0.41SS..Hα-helixtrans-74.5-21.6-179.8-62.10000114.2M1 V129 P130 Q131M1-C133 HydrophobicContact CE-CB 3.92Å; M1-C133 WeakPolarHBondContact CE-SG 3.26Å; V129-C133 PolarHBondContact O-N 3.17Å; V129-C133 PolarHBondContact O-SG 3.47Å; P130-C133 PolarHBondContact O-N 3.27Å; Q131-C133 VanDerWaalsContact C-N 3.25Å; Q131-C133 PolarHBondContact O-N 3.21Å
134Q81.3Confident76.8Confident163 Ų16366.9 Ų66.976%0.76238%0.381SS*.Hα-helixtrans-90.2-16.3177.3-72.3173.72.900113P130 Q131 L132P130-Q134 WeakPolarHBondContact O-CB 3.41Å; P130-Q134 VanDerWaalsContact O-CG 3.24Å; P130-Q134 WeakPolarHBondContact O-CG 3.45Å; P130-Q134 PolarHBondContact O-N 3.18Å; P130-Q134 VanDerWaalsContact O-N 3.15Å; Q131-Q134 PolarHBondContact O-N 2.74Å; L132-Q134 VanDerWaalsContact C-N 3.34Å
135M75.5Confident75.7Confident39 Ų3964.6 Ų64.619%0.19238%0.38CS..  trans-65.6137.2179.3-73-171.676.600111.9N4 L127 Q131 D139 L140 L143N4-M135 PolarHBondContact ND2-O 2.88Å; L127-M135 HydrophobicContact CD1-SD 3.46Å; L127-M135 WeakPolarHBondContact CD1-SD 3.48Å; Q131-M135 VanDerWaalsContact O-CG 3.32Å; Q131-M135 WeakPolarHBondContact O-CG 3.29Å; Q131-M135 PolarHBondContact O-N 3.48Å; M135-D139 VanDerWaalsContact CE-C 3.45Å; M135-D139 HydrophobicContact CE-CB 3.38Å; M135-D139 VanDerWaalsContact CE-O 3.32Å; M135-D139 WeakPolarHBondContact CE-O 3.38Å; M135-L140 HydrophobicContact SD-CD1 4.22Å; M135-L143 HydrophobicContact CE-CD1 3.59Å; M135-L143 HydrophobicContact SD-CD1 3.97Å
136S77Confident73.9Confident49 Ų4966.8 Ų66.834%0.34340%0.395SS..  trans-70159.5171.379.10000110.8I138 D139 L140S136-I138 PolarHBondContact O-N 2.78Å; S136-I138 PolarHBondContact OG-N 2.79Å; S136-D139 WeakPolarHBondContact CB-OD2 3.48Å; S136-D139 PolarHBondContact O-N 3.45Å; S136-D139 PolarHBondContact OG-N 3.36Å; S136-D139 PolarHBondContact OG-OD2 2.97Å; S136-L140 WeakPolarHBondContact O-CB 3.29Å; S136-L140 PolarHBondContact O-N 3.47Å
137E75Confident71.7Confident82 Ų8269.4 Ų69.438%0.38340%0.399SS..Hα-helixtrans-54.9-33.5172.8-72.9-178.3-17600112.1N4 K5 L6 A141N4-E137 WeakPolarHBondContact OD1-CG 3.43Å; K5-E137 WeakPolarHBondContact CB-OE1 3.47Å; K5-E137 PolarHBondContact N-OE1 3.25Å; L6-E137 HydrophobicContact CB-CG 4.36Å; E137-A141 WeakPolarHBondContact O-CB 3.11Å; E137-A141 PolarHBondContact O-N 3.31Å; E137-A141 VanDerWaalsContact O-N 3.1Å
138I71.7Confident69.4Low126 Ų12676 Ų7665%0.64643%0.426SS*.Hα-helixtrans-67.4-42.6-179-62.3167.7000110.7S136 P142S136-I138 PolarHBondContact O-N 2.78Å; S136-I138 PolarHBondContact OG-N 2.79Å; I138-P142 WeakPolarHBondContact O-CD 3.36Å
139D72.7Confident66.8Low86 Ų8679.7 Ų79.746%0.4645%0.446SS..Hα-helixtrans-78.5-29.9-177.6-54-47.4000111.8M135 S136 P142M135-D139 VanDerWaalsContact CE-C 3.45Å; M135-D139 HydrophobicContact CE-CB 3.38Å; M135-D139 VanDerWaalsContact CE-O 3.32Å; M135-D139 WeakPolarHBondContact CE-O 3.38Å; S136-D139 WeakPolarHBondContact CB-OD2 3.48Å; S136-D139 PolarHBondContact O-N 3.45Å; S136-D139 PolarHBondContact OG-N 3.36Å; S136-D139 PolarHBondContact OG-OD2 2.97Å; D139-P142 WeakPolarHBondContact O-CD 3.5Å; D139-P142 WeakPolarHBondContact O-CG 3.36Å
140L71.9Confident64.2Low0 Ų087.3 Ų87.30%048%0.477CS..Hα-helixtrans-78.1-36-179-16875.3000112.6L6 L7 L10 L125 L132 M135 S136 L143 V144L6-L140 HydrophobicContact CD2-CB 4.02Å; L6-L140 HydrophobicContact CD2-CD2 3.92Å; L6-L140 HydrophobicContact CD2-CG 4.1Å; L6-L140 HydrophobicContact CG-CD2 4.17Å; L7-L140 HydrophobicContact CD2-CD2 3.55Å; L7-L140 HydrophobicContact CG-CD2 3.64Å; L10-L140 HydrophobicContact CD1-CD2 4.32Å; L125-L140 HydrophobicContact CD1-CD1 4.02Å; L132-L140 HydrophobicContact CD1-CD1 3.38Å; M135-L140 HydrophobicContact SD-CD1 4.22Å; S136-L140 WeakPolarHBondContact O-CB 3.29Å; S136-L140 PolarHBondContact O-N 3.47Å; L140-L143 PolarHBondContact O-N 2.93Å; L140-V144 HydrophobicContact CD1-CG2 4.12Å; L140-V144 HydrophobicContact CD2-CG2 4.27Å; L140-V144 HydrophobicContact CG-CG2 3.75Å; L140-V144 WeakPolarHBondContact O-CG2 3.33Å; L140-V144 PolarHBondContact O-N 3.01Å; L140-V144 VanDerWaalsContact O-N 3.1Å
141A71.9Confident61.5Low39 Ų3989.8 Ų89.832%0.32249%0.485SS..Hα-helixtrans-49.1-49.8179.800000114.5L6 E137 L143 V145L6-A141 HydrophobicContact CD2-CB 4.09Å; E137-A141 WeakPolarHBondContact O-CB 3.11Å; E137-A141 PolarHBondContact O-N 3.31Å; E137-A141 VanDerWaalsContact O-N 3.1Å; A141-L143 VanDerWaalsContact C-N 3.3Å; A141-L143 PolarHBondContact O-N 2.79Å; A141-V145 WeakPolarHBondContact O-CB 3.38Å; A141-V145 VanDerWaalsContact O-CG2 3.23Å; A141-V145 WeakPolarHBondContact O-CG2 3.23Å; A141-V145 PolarHBondContact O-N 3.39Å
142P67.3Low59.1Low92 Ų9293.7 Ų93.760%0.59750%0.504SS*.Hα-helixtrans-67.9-26.2179.525.5-34.7000113.9I138 D139I138-P142 WeakPolarHBondContact O-CD 3.36Å; D139-P142 WeakPolarHBondContact O-CD 3.5Å; D139-P142 WeakPolarHBondContact O-CG 3.36Å
143L65.8Low56.8Low71 Ų71100.2 Ų100.237%0.37254%0.544SS..Hα-helixtrans-79.4-36.3-178.9-63.4-176.5000112.4L125 L127 M135 L140 A141L125-L143 HydrophobicContact CD1-CB 4.37Å; L125-L143 HydrophobicContact CD2-CB 4.07Å; L125-L143 VanDerWaalsContact CD2-O 3.29Å; L125-L143 WeakPolarHBondContact CD2-O 3.31Å; L127-L143 HydrophobicContact CD1-CD1 3.97Å; M135-L143 HydrophobicContact CE-CD1 3.59Å; M135-L143 HydrophobicContact SD-CD1 3.97Å; L140-L143 PolarHBondContact O-N 2.93Å; A141-L143 VanDerWaalsContact C-N 3.3Å; A141-L143 PolarHBondContact O-N 2.79Å
144V67.2Low54.2Low29 Ų29105.4 Ų105.418%0.17657%0.574CS.*Hα-helixtrans-82.3-33-175.9171.30000111.7L10 L125 L140 T146L10-V144 HydrophobicContact CD1-CB 4.14Å; L10-V144 HydrophobicContact CD1-CG1 3.49Å; L10-V144 VanDerWaalsContact CD1-CG1 3.49Å; L10-V144 HydrophobicContact CD1-CG2 3.58Å; L10-V144 HydrophobicContact CD2-CG1 3.21Å; L10-V144 HydrophobicContact CG-CG1 3.88Å; L125-V144 HydrophobicContact CD1-CG2 3.99Å; L140-V144 HydrophobicContact CD1-CG2 4.12Å; L140-V144 HydrophobicContact CD2-CG2 4.27Å; L140-V144 HydrophobicContact CG-CG2 3.75Å; L140-V144 WeakPolarHBondContact O-CG2 3.33Å; L140-V144 PolarHBondContact O-N 3.01Å; L140-V144 VanDerWaalsContact O-N 3.1Å; V144-T146 PolarHBondContact O-N 2.99Å; V144-T146 PolarHBondContact O-OG1 3.25Å
145V57.3Low52Low114 Ų114105.8 Ų105.869%0.69158%0.576SS**  trans-75.371.2174-175.50000108.7A141A141-V145 WeakPolarHBondContact O-CB 3.38Å; A141-V145 VanDerWaalsContact O-CG2 3.23Å; A141-V145 WeakPolarHBondContact O-CG2 3.23Å; A141-V145 PolarHBondContact O-N 3.39Å
146T42.1Very low49.9Very low83 Ų83110.4 Ų110.451%0.50961%0.606SS.*  trans-71.5129.3173.850000108.7V144 K148V144-T146 PolarHBondContact O-N 2.99Å; V144-T146 PolarHBondContact O-OG1 3.25Å; T146-K148 VanDerWaalsContact C-N 3.25Å; T146-K148 PolarHBondContact O-N 3.39Å
147P30.5Very low48.1Very low126 Ų126117.3 Ų117.382%0.81863%0.63SS**  trans-78.273-179.431.3-33.3000110.1
148K33.8Very low46.8Very low182 Ų182119 Ų11979%0.79164%0.638SS**  trans-147.272.8177-70-169179.5178.70113.7T146T146-K148 VanDerWaalsContact C-N 3.25Å; T146-K148 PolarHBondContact O-N 3.39Å
149T30.2Very low46Very low128 Ų128122 Ų12279%0.78565%0.647SS**  trans-150.570.2130.8-40000107.9N151T149-N151 VanDerWaalsContact C-N 3.32Å; T149-N151 PolarHBondContact O-N 2.69Å
150F29.8Very low45.9Very low199 Ų199121.7 Ų121.787%0.87364%0.641SS**  trans-71.998.2150.3-124.1-96.7000104.5
151N27.7Very low46.3Very low135 Ų135124.4 Ų124.472%0.72266%0.66SS**SBendtrans168.3125.2149.2-81.1-17.1000108.6T149T149-N151 VanDerWaalsContact C-N 3.32Å; T149-N151 PolarHBondContact O-N 2.69Å
152Q29.9Very low46.9Very low182 Ų182123.7 Ų123.785%0.8565%0.65SS**SBendtrans76.667163.5-56.3173.40.200116.8
153T31.5Very low47.9Very low138 Ų138122.1 Ų122.185%0.84763%0.634SS**  -169.9123.9120.915.70000108.1E155T153-E155 PolarHBondContact O-N 3.13Å
154V28.8Very low48.9Very low151 Ų151121 Ų12192%0.91563%0.628SS**  trans-74.787.6-173.8178.40000108.6
155E33.3Very low49.9Very low170 Ų170130.8 Ų130.879%0.79466%0.661SS**  trans-133.5120.7154.4-73.8-169.9171.700106.8T153 K157T153-E155 PolarHBondContact O-N 3.13Å; E155-K157 PolarHBondContact O-N 3.25Å
156T32.3Very low51.4Low136 Ų136127.4 Ų127.483%0.83464%0.642SS**  trans-52.391.3-177.941.70000111.5Q158T156-Q158 VanDerWaalsContact C-N 3.3Å; T156-Q158 PolarHBondContact O-N 3.37Å
157K39Very low53.7Low195 Ų195127 Ų12785%0.84864%0.639SS**  trans-64.991.1171.1-76-177.6179.5175.90108.5E155 K159E155-K157 PolarHBondContact O-N 3.25Å; K157-K159 PolarHBondContact O-N 3.19Å; K157-K159 VanDerWaalsContact O-N 3.12Å
158Q48.4Very low56.5Low118 Ų118126.7 Ų126.755%0.55163%0.63SS**  trans-54.7117.3168.8-81.4179.2-13.300108.5T156 F160T156-Q158 VanDerWaalsContact C-N 3.3Å; T156-Q158 PolarHBondContact O-N 3.37Å; Q158-F160 PolarHBondContact O-N 3Å; Q158-F160 VanDerWaalsContact O-N 3.14Å
159K54.8Low59.2Low189 Ų189124.7 Ų124.782%0.82262%0.624SS**  trans-48.2120.7167.3-77.6179.7174.5179.10108.4K157 S161K157-K159 PolarHBondContact O-N 3.19Å; K157-K159 VanDerWaalsContact O-N 3.12Å; K159-S161 PolarHBondContact O-N 3.38Å
160F71.1Confident62Low79 Ų79119.2 Ų119.235%0.34659%0.59SS.*  trans-66.8104.5171.1-178.8-85.1000107.1Q158 I162 Y196 Y200 N289Q158-F160 PolarHBondContact O-N 3Å; Q158-F160 VanDerWaalsContact O-N 3.14Å; F160-I162 HydrophobicContact CD1-CG1 4.39Å; F160-I162 HydrophobicContact CE1-CG1 3.87Å; F160-Y196 HydrophobicContact CZ-CE2 4.27Å; F160-Y200 AromaticContact CE1-CE1 3.9Å; F160-Y200 HydrophobicContact CE1-CE1 3.9Å; F160-Y200 HydrophobicContact CZ-CE1 4.01Å; F160-Y200 AromaticContact CZ-CZ 3.86Å; F160-N289 HydrophobicContact CD2-CB 3.59Å; F160-N289 VanDerWaalsContact CD2-CG 3.45Å; F160-N289 WeakPolarHBondContact CD2-OD1 3.11Å; F160-N289 HydrophobicContact CE2-CB 3.4Å; F160-N289 HydrophobicContact CZ-CB 4.19Å
161S80.2Confident65Low56 Ų56114.6 Ų114.639%0.39257%0.569SS.*  trans-107.6116.6178.9-167.60000107.5K159 K163 N289K159-S161 PolarHBondContact O-N 3.38Å; S161-K163 WeakPolarHBondContact CB-O 3.35Å; S161-K163 PolarHBondContact OG-O 2.94Å; S161-N289 PolarHBondContact O-ND2 2.99Å
162I83.9Confident68.1Low24 Ų24113.9 Ų113.912%0.12356%0.562CS.*SBendtrans-59.1-50.2-176-67.2167.2000110.3F160 Y196 Y200 K203 E204 F282 G285F160-I162 HydrophobicContact CD1-CG1 4.39Å; F160-I162 HydrophobicContact CE1-CG1 3.87Å; I162-Y196 WeakPolarHBondContact CA-OH 3.49Å; I162-Y196 HydrophobicContact CG2-CE1 4.46Å; I162-Y196 PolarHBondContact O-OH 2.88Å; I162-Y196 VanDerWaalsContact O-OH 3.07Å; I162-Y200 HydrophobicContact CD1-CD1 3.71Å; I162-Y200 HydrophobicContact CD1-CG 4.45Å; I162-Y200 HydrophobicContact CG1-CD1 3.8Å; I162-Y200 HydrophobicContact CG1-CE1 4.45Å; I162-Y200 HydrophobicContact CG1-CG 4.37Å; I162-Y200 HydrophobicContact CG2-CD1 4.48Å; I162-Y200 HydrophobicContact CG2-CG 4.24Å; I162-K203 HydrophobicContact CD1-CB 4.27Å; I162-E204 HydrophobicContact CB-CG 4.05Å; I162-E204 HydrophobicContact CD1-CG 4.12Å; I162-E204 HydrophobicContact CG2-CG 3.67Å; I162-F282 HydrophobicContact CG2-CD1 3.82Å; I162-F282 HydrophobicContact CG2-CE1 3.7Å; I162-G285 WeakPolarHBondContact O-CA 3.41Å
163K88.6Confident71Confident60 Ų60107.5 Ų107.526%0.26153%0.532SS..SBendtrans-94.9145.2168.7-67.5175.1179.4165.80109.5S161 E204 C206 P281 F282S161-K163 WeakPolarHBondContact CB-O 3.35Å; S161-K163 PolarHBondContact OG-O 2.94Å; K163-E204 HydrophobicContact CD-CG 4.4Å; K163-E204 HydrophobicContact CG-CG 4.42Å; K163-E204 IonicContact NZ-OE2 3.82Å; K163-C206 PolarHBondContact NZ-SG 3.18Å; K163-P281 WeakPolarHBondContact CA-O 3.48Å; K163-P281 HydrophobicContact CB-CB 4.02Å; K163-P281 HydrophobicContact CG-CB 4.21Å; K163-F282 HydrophobicContact CD-CE2 4.18Å; K163-F282 HydrophobicContact CD-CZ 4.28Å; K163-F282 HydrophobicContact CG-CD1 4.28Å; K163-F282 HydrophobicContact CG-CD2 4.19Å; K163-F282 HydrophobicContact CG-CE1 4.22Å; K163-F282 HydrophobicContact CG-CE2 4.15Å; K163-F282 HydrophobicContact CG-CG 4.28Å; K163-F282 HydrophobicContact CG-CZ 4.16Å
164M86.5Confident73.9Confident48 Ų48101 Ų10124%0.23649%0.492CS..  trans-135.4156.1172.8-74.9-157.572.200111.1P166 P281 A284 K288M164-P166 WeakPolarHBondContact O-CD 3.49Å; M164-P166 VanDerWaalsContact O-N 3.17Å; M164-P281 PolarHBondContact N-O 3.4Å; M164-P281 VanDerWaalsContact O-CA 3.25Å; M164-P281 WeakPolarHBondContact O-CA 3.12Å; M164-P281 WeakPolarHBondContact O-CB 3.39Å; M164-A284 HydrophobicContact CB-CB 3.86Å; M164-K288 HydrophobicContact CE-CD 3.47Å; M164-K288 VanDerWaalsContact CE-CD 3.47Å; M164-K288 VanDerWaalsContact CE-NZ 3.28Å; M164-K288 HydrophobicContact SD-CB 3.74Å; M164-K288 HydrophobicContact SD-CD 3.06Å; M164-K288 WeakPolarHBondContact SD-CD 2.86Å; M164-K288 HydrophobicContact SD-CG 4.05Å
165R87.8Confident76.9Confident233 Ų23395.9 Ų95.988%0.87946%0.461SS*.PPolyproline II helixtrans-64.5116171.6-173.1174.7-175.7167.31.5108.3
166P89.4Confident79.6Confident44 Ų4494.1 Ų94.129%0.28645%0.451SS..PPolyproline II helixtrans-73.6147.9-17830.6-34.6000111.5M164 D170 L280 A284M164-P166 WeakPolarHBondContact O-CD 3.49Å; M164-P166 VanDerWaalsContact O-N 3.17Å; P166-D170 HydrophobicContact CB-CB 4.25Å; P166-L280 HydrophobicContact CB-CD1 4.11Å; P166-L280 HydrophobicContact CB-CD2 3.78Å; P166-L280 HydrophobicContact CB-CG 3.52Å; P166-L280 HydrophobicContact CG-CD2 3.66Å; P166-L280 HydrophobicContact CG-CG 3.73Å; P166-A284 HydrophobicContact CB-CB 4.06Å
167T89.9Confident82.3Confident73 Ų7388.4 Ų88.445%0.44842%0.415SS..PPolyproline II helixtrans-91169.6171.364.10000111.2E169 D170 K171T167-E169 VanDerWaalsContact C-N 3.28Å; T167-E169 PolarHBondContact O-N 2.86Å; T167-D170 WeakPolarHBondContact CB-OD2 3.1Å; T167-D170 PolarHBondContact N-OD2 3.1Å; T167-D170 WeakPolarHBondContact O-CB 3.22Å; T167-D170 PolarHBondContact O-N 3.1Å; T167-D170 PolarHBondContact OG1-N 3.39Å; T167-D170 PolarHBondContact OG1-OD2 3.19Å; T167-K171 PolarHBondContact O-N 3.47Å
168L89.2Confident84.6Confident121 Ų12179.1 Ų79.163%0.63438%0.375SS*.Hα-helixtrans-61.3-39.6173-175.664.7000111.2D170 K171 E172L168-D170 VanDerWaalsContact C-N 3.33Å; L168-D170 PolarHBondContact O-N 2.86Å; L168-K171 WeakPolarHBondContact O-CB 3.21Å; L168-K171 PolarHBondContact O-N 3.26Å; L168-E172 WeakPolarHBondContact O-CG 3.46Å; L168-E172 PolarHBondContact O-N 3Å
169E89.9Confident86.4Confident140 Ų14079 Ų7965%0.65437%0.372SS*.Hα-helixtrans-60.8-41.1175.5-63.7177.9-174.800111.9T167 K171 E172 E173T167-E169 VanDerWaalsContact C-N 3.28Å; T167-E169 PolarHBondContact O-N 2.86Å; E169-K171 VanDerWaalsContact C-N 3.29Å; E169-K171 PolarHBondContact O-N 2.94Å; E169-E172 PolarHBondContact O-N 3.34Å; E169-E173 VanDerWaalsContact O-CB 3.23Å; E169-E173 WeakPolarHBondContact O-CB 3.35Å; E169-E173 PolarHBondContact O-N 2.96Å
170D91Very high87.6Confident13 Ų1373.8 Ų73.87%0.0735%0.351CS..Hα-helixtrans-60.7-41.5177-64.3-38.2000111.4P166 T167 L168 L174 L280 W283 K287P166-D170 HydrophobicContact CB-CB 4.25Å; T167-D170 WeakPolarHBondContact CB-OD2 3.1Å; T167-D170 PolarHBondContact N-OD2 3.1Å; T167-D170 WeakPolarHBondContact O-CB 3.22Å; T167-D170 PolarHBondContact O-N 3.1Å; T167-D170 PolarHBondContact OG1-N 3.39Å; T167-D170 PolarHBondContact OG1-OD2 3.19Å; L168-D170 VanDerWaalsContact C-N 3.33Å; L168-D170 PolarHBondContact O-N 2.86Å; D170-L174 VanDerWaalsContact O-CB 3.32Å; D170-L174 WeakPolarHBondContact O-CB 3.41Å; D170-L174 PolarHBondContact O-N 2.62Å; D170-L280 HydrophobicContact CB-CD1 4.41Å; D170-W283 PolarHBondContact O-NE1 2.86Å; D170-K287 VanDerWaalsContact OD1-CD 3.26Å; D170-K287 WeakPolarHBondContact OD1-CD 3.23Å; D170-K287 VanDerWaalsContact OD1-CE 3.25Å; D170-K287 WeakPolarHBondContact OD1-CE 3.28Å; D170-K287 IonicContact OD1-NZ 3.75Å; D170-K287 PolarHBondContact OD1-NZ 3.27Å
171K91.6Very high88Confident102 Ų10270.1 Ų70.144%0.44334%0.335SS..Hα-helixtrans-64.1-51.9177.1178.6175.5-178.2-175.20111.2T167 L168 E169 E173 L174 T175 F276 L280T167-K171 PolarHBondContact O-N 3.47Å; L168-K171 WeakPolarHBondContact O-CB 3.21Å; L168-K171 PolarHBondContact O-N 3.26Å; E169-K171 VanDerWaalsContact C-N 3.29Å; E169-K171 PolarHBondContact O-N 2.94Å; K171-E173 VanDerWaalsContact C-N 3.34Å; K171-E173 PolarHBondContact O-N 2.91Å; K171-L174 PolarHBondContact O-N 3.25Å; K171-T175 WeakPolarHBondContact O-CB 3.2Å; K171-T175 PolarHBondContact O-N 3.43Å; K171-T175 PolarHBondContact O-OG1 3.18Å; K171-F276 HydrophobicContact CG-CE1 3.95Å; K171-F276 HydrophobicContact CG-CZ 4.14Å; K171-L280 HydrophobicContact CB-CD1 4.32Å; K171-L280 HydrophobicContact CB-CD2 4.17Å; K171-L280 HydrophobicContact CG-CD2 4.49Å
172E92.1Very high87.6Confident120 Ų12067.6 Ų67.656%0.56132%0.318SS*.Hα-helixtrans-61-43.2-179.1-71176.7174.700112L168 E169 K176L168-E172 WeakPolarHBondContact O-CG 3.46Å; L168-E172 PolarHBondContact O-N 3Å; E169-E172 PolarHBondContact O-N 3.34Å; E172-K176 WeakPolarHBondContact O-CB 3.46Å; E172-K176 PolarHBondContact O-N 3.25Å
173E91.9Very high86.7Confident48 Ų4869.4 Ų69.422%0.22433%0.325CS..Hα-helixtrans-64.3-49.8178.8-172.3179.8-178.900111.6E169 K171 T175 K176 L177 K189 W283 K287E169-E173 VanDerWaalsContact O-CB 3.23Å; E169-E173 WeakPolarHBondContact O-CB 3.35Å; E169-E173 PolarHBondContact O-N 2.96Å; K171-E173 VanDerWaalsContact C-N 3.34Å; K171-E173 PolarHBondContact O-N 2.91Å; E173-T175 PolarHBondContact O-N 3.44Å; E173-K176 PolarHBondContact O-N 2.79Å; E173-L177 HydrophobicContact CG-CD1 4.16Å; E173-L177 WeakPolarHBondContact O-CG 3.02Å; E173-L177 PolarHBondContact O-N 2.99Å; E173-K189 IonicContact OE1-NZ 3.05Å; E173-K189 PolarHBondContact OE1-NZ 3.05Å; E173-W283 HydrophobicContact CG-CZ2 4Å; E173-K287 WeakPolarHBondContact OE2-CD 3.32Å; E173-K287 WeakPolarHBondContact OE2-CE 3.44Å; E173-K287 IonicContact OE2-NZ 2.74Å; E173-K287 PolarHBondContact OE2-NZ 3.37Å
174L92.5Very high85.5Confident0 Ų071.4 Ų71.40%034%0.335CS..Hα-helixtrans-63.5-43.8179.5-177.261000111.2D170 K171 K176 L177 L178 L190 F193 F276 I279 L280 W283D170-L174 VanDerWaalsContact O-CB 3.32Å; D170-L174 WeakPolarHBondContact O-CB 3.41Å; D170-L174 PolarHBondContact O-N 2.62Å; K171-L174 PolarHBondContact O-N 3.25Å; L174-K176 VanDerWaalsContact C-N 3.31Å; L174-K176 PolarHBondContact O-N 3.11Å; L174-L177 PolarHBondContact O-N 3.18Å; L174-L178 HydrophobicContact CD1-CD1 4.01Å; L174-L178 HydrophobicContact CD1-CG 4.06Å; L174-L178 HydrophobicContact CD2-CD1 4.38Å; L174-L178 HydrophobicContact CG-CD1 3.75Å; L174-L178 HydrophobicContact CG-CG 4.25Å; L174-L178 WeakPolarHBondContact O-CB 3.31Å; L174-L178 VanDerWaalsContact O-CG 3.24Å; L174-L178 WeakPolarHBondContact O-CG 3.05Å; L174-L178 PolarHBondContact O-N 3.13Å; L174-L190 HydrophobicContact CD1-CD2 4.42Å; L174-F193 HydrophobicContact CD1-CD1 4.48Å; L174-F193 HydrophobicContact CD1-CE1 4.13Å; L174-F276 HydrophobicContact CB-CE2 4.46Å; L174-F276 HydrophobicContact CD2-CD2 4.48Å; L174-F276 HydrophobicContact CD2-CE2 3.79Å; L174-F276 HydrophobicContact CD2-CZ 4.17Å; L174-F276 HydrophobicContact CG-CE2 3.98Å; L174-F276 HydrophobicContact CG-CZ 4.46Å; L174-I279 HydrophobicContact CD2-CG2 4.17Å; L174-L280 HydrophobicContact CB-CD1 4.45Å; L174-L280 HydrophobicContact CD2-CD1 3.91Å; L174-W283 HydrophobicContact CB-CD2 4.32Å; L174-W283 HydrophobicContact CB-CG 4.07Å; L174-W283 HydrophobicContact CD1-CD2 3.95Å; L174-W283 HydrophobicContact CD1-CE3 4.04Å; L174-W283 HydrophobicContact CD1-CG 4.15Å; L174-W283 HydrophobicContact CD2-CB 3.85Å; L174-W283 HydrophobicContact CD2-CG 4.02Å; L174-W283 HydrophobicContact CG-CG 4.29Å
175T91.4Very high84.3Confident44 Ų4472.4 Ų72.427%0.2735%0.345SS..Hα-helixtrans-59.2-42.8175.8-63.10000111.5K171 E173 K179 F276K171-T175 WeakPolarHBondContact O-CB 3.2Å; K171-T175 PolarHBondContact O-N 3.43Å; K171-T175 PolarHBondContact O-OG1 3.18Å; E173-T175 PolarHBondContact O-N 3.44Å; T175-K179 HydrophobicContact CG2-CD 4.23Å; T175-K179 WeakPolarHBondContact O-CB 3.48Å; T175-K179 WeakPolarHBondContact O-CG 3.5Å; T175-K179 PolarHBondContact O-N 2.97Å; T175-F276 WeakPolarHBondContact OG1-CZ 3.35Å
176K90.1Very high83.3Confident134 Ų13462.5 Ų62.558%0.58331%0.309SS*.Hα-helixtrans-62.1-46.9177.1-179.4178.6177-178.80111.6E172 E173 L174 K179 Q180E172-K176 WeakPolarHBondContact O-CB 3.46Å; E172-K176 PolarHBondContact O-N 3.25Å; E173-K176 PolarHBondContact O-N 2.79Å; L174-K176 VanDerWaalsContact C-N 3.31Å; L174-K176 PolarHBondContact O-N 3.11Å; K176-K179 PolarHBondContact O-N 3.06Å; K176-Q180 WeakPolarHBondContact O-CG 3.31Å; K176-Q180 PolarHBondContact O-N 3.02Å; K176-Q180 VanDerWaalsContact O-N 3.09Å
177L88.3Confident82.3Confident15 Ų1563 Ų638%0.07931%0.31CS..Hα-helixtrans-63.1-44179.2-71.2171.8000111.8E173 L174 Q180 A181 D187 K189 L190 W283E173-L177 HydrophobicContact CG-CD1 4.16Å; E173-L177 WeakPolarHBondContact O-CG 3.02Å; E173-L177 PolarHBondContact O-N 2.99Å; L174-L177 PolarHBondContact O-N 3.18Å; L177-Q180 PolarHBondContact O-N 3.36Å; L177-A181 WeakPolarHBondContact O-CB 3.18Å; L177-A181 PolarHBondContact O-N 3.42Å; L177-D187 VanDerWaalsContact CD2-OD2 3.28Å; L177-D187 WeakPolarHBondContact CD2-OD2 3.42Å; L177-K189 HydrophobicContact CD1-CD 4.1Å; L177-L190 HydrophobicContact CB-CD1 4.01Å; L177-L190 HydrophobicContact CB-CD2 3.89Å; L177-L190 HydrophobicContact CB-CG 4.08Å; L177-L190 HydrophobicContact CD1-CD2 4.2Å; L177-W283 HydrophobicContact CD1-CH2 3.42Å; L177-W283 VanDerWaalsContact CD1-CH2 3.42Å; L177-W283 HydrophobicContact CD1-CZ2 3.64Å; L177-W283 HydrophobicContact CD1-CZ3 4.34Å
178L88.7Confident81.3Confident1 Ų162.2 Ų62.21%0.00530%0.302CS..Hα-helixtrans-64.3-42.4178.5-71.4171.3000112.3L174 Q180 A181 A182 F213 I217 L220 F276L174-L178 HydrophobicContact CD1-CD1 4.01Å; L174-L178 HydrophobicContact CD1-CG 4.06Å; L174-L178 HydrophobicContact CD2-CD1 4.38Å; L174-L178 HydrophobicContact CG-CD1 3.75Å; L174-L178 HydrophobicContact CG-CG 4.25Å; L174-L178 WeakPolarHBondContact O-CB 3.31Å; L174-L178 VanDerWaalsContact O-CG 3.24Å; L174-L178 WeakPolarHBondContact O-CG 3.05Å; L174-L178 PolarHBondContact O-N 3.13Å; L178-Q180 VanDerWaalsContact C-N 3.31Å; L178-Q180 PolarHBondContact O-N 3.23Å; L178-A181 WeakPolarHBondContact O-CB 3.39Å; L178-A181 PolarHBondContact O-N 2.93Å; L178-A182 PolarHBondContact O-N 3.21Å; L178-A182 VanDerWaalsContact O-N 3.09Å; L178-F213 HydrophobicContact CD2-CD2 4.06Å; L178-F213 HydrophobicContact CD2-CE2 3.47Å; L178-F213 VanDerWaalsContact CD2-CE2 3.47Å; L178-F213 HydrophobicContact CD2-CZ 4.01Å; L178-I217 HydrophobicContact CD2-CD1 4.17Å; L178-I217 HydrophobicContact CD2-CG1 3.68Å; L178-L220 HydrophobicContact CB-CD1 3.69Å; L178-F276 HydrophobicContact CD1-CD2 4.04Å; L178-F276 HydrophobicContact CD1-CE2 3.85Å
179K85.4Confident80.7Confident114 Ų11458.6 Ų58.650%0.49628%0.282SS..Hα-helixtrans-61.6-38.4174.2-75.3-178.2176.8-172.60112.3T175 K176 A182 L220T175-K179 HydrophobicContact CG2-CD 4.23Å; T175-K179 WeakPolarHBondContact O-CB 3.48Å; T175-K179 WeakPolarHBondContact O-CG 3.5Å; T175-K179 PolarHBondContact O-N 2.97Å; K176-K179 PolarHBondContact O-N 3.06Å; K179-A182 WeakPolarHBondContact O-CB 3.23Å; K179-L220 HydrophobicContact CG-CD1 4.42Å; K179-L220 HydrophobicContact CG-CD2 4.46Å
180Q80.5Confident80.3Confident81 Ų8152 Ų5238%0.37925%0.251SS..Hα-helixtrans-66.3-46.2174.2-72175.3-27.200111.4K176 L177 L178 A182 F183 Q184K176-Q180 WeakPolarHBondContact O-CG 3.31Å; K176-Q180 PolarHBondContact O-N 3.02Å; K176-Q180 VanDerWaalsContact O-N 3.09Å; L177-Q180 PolarHBondContact O-N 3.36Å; L178-Q180 VanDerWaalsContact C-N 3.31Å; L178-Q180 PolarHBondContact O-N 3.23Å; Q180-A182 PolarHBondContact O-N 3.18Å; Q180-F183 PolarHBondContact O-N 2.84Å; Q180-Q184 WeakPolarHBondContact O-CB 3.38Å; Q180-Q184 WeakPolarHBondContact O-CG 3.45Å; Q180-Q184 PolarHBondContact O-N 3.12Å
181A78.7Confident79.5Confident2 Ų254.4 Ų54.42%0.01726%0.263CS..Hα-helixtrans-60.9-22.9179.300000114.7L177 L178 F183 L186 L190 I217 R221L177-A181 WeakPolarHBondContact O-CB 3.18Å; L177-A181 PolarHBondContact O-N 3.42Å; L178-A181 WeakPolarHBondContact O-CB 3.39Å; L178-A181 PolarHBondContact O-N 2.93Å; A181-F183 VanDerWaalsContact C-N 3.31Å; A181-F183 PolarHBondContact O-N 2.81Å; A181-L186 HydrophobicContact CB-CD2 3.52Å; A181-L190 HydrophobicContact CB-CD1 3.64Å; A181-I217 HydrophobicContact CB-CD1 4.4Å; A181-R221 PolarHBondContact O-NH2 2.8Å
182A72.3Confident78.8Confident3 Ų352.4 Ų52.43%0.02526%0.257CS..Hα-helixtrans-55.8-45.617500000111L178 K179 Q180 L220 R221L178-A182 PolarHBondContact O-N 3.21Å; L178-A182 VanDerWaalsContact O-N 3.09Å; K179-A182 WeakPolarHBondContact O-CB 3.23Å; Q180-A182 PolarHBondContact O-N 3.18Å; A182-L220 HydrophobicContact CB-CB 4.07Å; A182-R221 HydrophobicContact CB-CG 3.85Å; A182-R221 WeakPolarHBondContact O-CD 3.45Å; A182-R221 WeakPolarHBondContact O-CG 3.32Å; A182-R221 PolarHBondContact O-NE 3.19Å
183F65.5Low78.6Confident62 Ų6246.7 Ų46.727%0.27223%0.23SC..Hα-helixtrans-1245.2-179.3-62.1-85.8000114.5Q180 A181 R221 E224 L225 K238Q180-F183 PolarHBondContact O-N 2.84Å; A181-F183 VanDerWaalsContact C-N 3.31Å; A181-F183 PolarHBondContact O-N 2.81Å; F183-R221 HydrophobicContact CZ-CB 4.24Å; F183-R221 HydrophobicContact CZ-CG 4.37Å; F183-R221 WeakPolarHBondContact CZ-O 3.36Å; F183-E224 HydrophobicContact CD2-CB 4.48Å; F183-E224 HydrophobicContact CE2-CB 3.39Å; F183-E224 HydrophobicContact CE2-CG 4.04Å; F183-E224 HydrophobicContact CZ-CB 3.81Å; F183-L225 HydrophobicContact CE1-CD2 4.41Å; F183-L225 HydrophobicContact CE1-CG 4.28Å; F183-L225 HydrophobicContact CZ-CG 4.11Å; F183-K238 VanDerWaalsContact C-NZ 3.33Å; F183-K238 WeakPolarHBondContact O-CD 3.35Å; F183-K238 WeakPolarHBondContact O-CE 3.46Å; F183-K238 PolarHBondContact O-NZ 3.35Å
184Q62.9Low78.2Confident102 Ų10246.6 Ų46.648%0.47723%0.228SC..SBendtrans-114.8155.7174.7-58.2-172.5-6.400110.5Q180Q180-Q184 WeakPolarHBondContact O-CB 3.38Å; Q180-Q184 WeakPolarHBondContact O-CG 3.45Å; Q180-Q184 PolarHBondContact O-N 3.12Å
185P61.4Low77.5Confident68 Ų6851.1 Ų51.144%0.44225%0.249SC..PPolyproline II helixtrans-55.9146.2170.2-17.432.9000109.2D187P185-D187 PolarHBondContact O-N 2.88Å
186L66.4Low77.2Confident25 Ų2549.4 Ų49.413%0.13124%0.238CC..PPolyproline II helixtrans-57.9129.5173.3-68.5175.8000109.1A181 L190 I191 I217 L318A181-L186 HydrophobicContact CB-CD2 3.52Å; L186-L190 HydrophobicContact CB-CB 4.45Å; L186-L190 HydrophobicContact CD2-CB 4.02Å; L186-L190 HydrophobicContact CD2-CD1 3.72Å; L186-I191 HydrophobicContact CB-CD1 4.39Å; L186-I191 HydrophobicContact CB-CG1 3.85Å; L186-I217 HydrophobicContact CD2-CD1 4.02Å; L186-L318 HydrophobicContact CD1-CD1 4.12Å; L186-L318 HydrophobicContact CD1-CD2 3.85Å; L186-L318 HydrophobicContact CD1-CG 4.46Å
187D68.4Low77.1Confident55 Ų5543.1 Ų43.129%0.29421%0.21SC..PPolyproline II helixtrans-68.9162.4171.773.1-4.5000110L177 P185 K189 L190 I191L177-D187 VanDerWaalsContact CD2-OD2 3.28Å; L177-D187 WeakPolarHBondContact CD2-OD2 3.42Å; P185-D187 PolarHBondContact O-N 2.88Å; D187-K189 PolarHBondContact O-N 3.01Å; D187-K189 VanDerWaalsContact O-N 3.11Å; D187-K189 PolarHBondContact OD1-N 2.78Å; D187-L190 PolarHBondContact O-N 3.49Å; D187-L190 WeakPolarHBondContact OD1-CB 2.99Å; D187-L190 VanDerWaalsContact OD1-CG 3.23Å; D187-L190 WeakPolarHBondContact OD1-CG 3.46Å; D187-L190 PolarHBondContact OD1-N 2.96Å; D187-I191 WeakPolarHBondContact O-CG1 3.35Å; D187-I191 PolarHBondContact O-N 3.46Å
188L68.6Low76.7Confident56 Ų5645.2 Ų45.229%0.29322%0.224SC..Hα-helixtrans-56.1-31.6178.9-178.462.5000111.8I191 L192L188-I191 PolarHBondContact O-N 3.33Å; L188-L192 HydrophobicContact CD1-CG 4.36Å; L188-L192 HydrophobicContact CG-CD1 4.22Å; L188-L192 HydrophobicContact CG-CG 4.45Å; L188-L192 WeakPolarHBondContact O-CB 3.23Å; L188-L192 VanDerWaalsContact O-CG 3.28Å; L188-L192 WeakPolarHBondContact O-CG 3.05Å; L188-L192 PolarHBondContact O-N 3.39Å
189K77.9Confident76.2Confident46 Ų4648.8 Ų48.820%0.224%0.243CC..Hα-helixtrans-65.6-46.8-178.9-157.8178.5-150.9177.20111.6E173 L177 D187 L192 F193 W283 F286 L291 M305E173-K189 IonicContact OE1-NZ 3.05Å; E173-K189 PolarHBondContact OE1-NZ 3.05Å; L177-K189 HydrophobicContact CD1-CD 4.1Å; D187-K189 PolarHBondContact O-N 3.01Å; D187-K189 VanDerWaalsContact O-N 3.11Å; D187-K189 PolarHBondContact OD1-N 2.78Å; K189-L192 PolarHBondContact O-N 3.5Å; K189-F193 WeakPolarHBondContact O-CB 3.23Å; K189-F193 PolarHBondContact O-N 3.39Å; K189-W283 HydrophobicContact CD-CH2 3.95Å; K189-W283 HydrophobicContact CG-CH2 4Å; K189-F286 HydrophobicContact CG-CE1 4.49Å; K189-L291 HydrophobicContact CD-CD1 4.33Å; K189-L291 HydrophobicContact CG-CD1 4.18Å; K189-M305 HydrophobicContact CB-CE 4.03Å
190L80.1Confident76.2Confident2 Ų245.9 Ų45.91%0.0123%0.229CC..Hα-helixtrans-70.9-32.5175.2-72.3-178.6000112.1L174 L177 A181 L186 D187 F193 Y194 F213L174-L190 HydrophobicContact CD1-CD2 4.42Å; L177-L190 HydrophobicContact CB-CD1 4.01Å; L177-L190 HydrophobicContact CB-CD2 3.89Å; L177-L190 HydrophobicContact CB-CG 4.08Å; L177-L190 HydrophobicContact CD1-CD2 4.2Å; A181-L190 HydrophobicContact CB-CD1 3.64Å; L186-L190 HydrophobicContact CB-CB 4.45Å; L186-L190 HydrophobicContact CD2-CB 4.02Å; L186-L190 HydrophobicContact CD2-CD1 3.72Å; D187-L190 PolarHBondContact O-N 3.49Å; D187-L190 WeakPolarHBondContact OD1-CB 2.99Å; D187-L190 VanDerWaalsContact OD1-CG 3.23Å; D187-L190 WeakPolarHBondContact OD1-CG 3.46Å; D187-L190 PolarHBondContact OD1-N 2.96Å; L190-F193 HydrophobicContact CD2-CD1 4.49Å; L190-F193 PolarHBondContact O-N 2.89Å; L190-Y194 WeakPolarHBondContact O-CB 3.4Å; L190-Y194 PolarHBondContact O-N 3.43Å; L190-F213 HydrophobicContact CB-CZ 4.44Å; L190-F213 HydrophobicContact CD2-CE2 4.18Å; L190-F213 HydrophobicContact CD2-CZ 3.97Å
191I74.9Confident76.2Confident62 Ų6242.1 Ų42.132%0.31821%0.212SC..Hα-helixtrans-63.2-47.3172.9-67.5168.5000110.5L186 D187 L188 F193 Y194 Q195L186-I191 HydrophobicContact CB-CD1 4.39Å; L186-I191 HydrophobicContact CB-CG1 3.85Å; D187-I191 WeakPolarHBondContact O-CG1 3.35Å; D187-I191 PolarHBondContact O-N 3.46Å; L188-I191 PolarHBondContact O-N 3.33Å; I191-F193 VanDerWaalsContact C-N 3.29Å; I191-F193 PolarHBondContact O-N 2.72Å; I191-Y194 PolarHBondContact O-N 3.29Å; I191-Q195 PolarHBondContact O-N 3.45Å
192L77Confident76.1Confident61 Ų6150.8 Ų50.832%0.31925%0.245SC..Hα-helixtrans-64.8-35.9176.5-70.8174.8000111.8L188 K189 Q195 Y196 F286L188-L192 HydrophobicContact CD1-CG 4.36Å; L188-L192 HydrophobicContact CG-CD1 4.22Å; L188-L192 HydrophobicContact CG-CG 4.45Å; L188-L192 WeakPolarHBondContact O-CB 3.23Å; L188-L192 VanDerWaalsContact O-CG 3.28Å; L188-L192 WeakPolarHBondContact O-CG 3.05Å; L188-L192 PolarHBondContact O-N 3.39Å; K189-L192 PolarHBondContact O-N 3.5Å; L192-Q195 PolarHBondContact O-N 3.15Å; L192-Y196 WeakPolarHBondContact O-CB 3.32Å; L192-Y196 PolarHBondContact O-N 3.08Å; L192-F286 HydrophobicContact CB-CE2 3.98Å; L192-F286 HydrophobicContact CB-CZ 3.67Å
193F88.3Confident76.5Confident0 Ų056.5 Ų56.50%027%0.27CS..Hα-helixtrans-68-41.6174.5-179.8-126.3000112.4L174 K189 L190 I191 Q195 Y196 L197 F213 I279 F282 W283 F286L174-F193 HydrophobicContact CD1-CD1 4.48Å; L174-F193 HydrophobicContact CD1-CE1 4.13Å; K189-F193 WeakPolarHBondContact O-CB 3.23Å; K189-F193 PolarHBondContact O-N 3.39Å; L190-F193 HydrophobicContact CD2-CD1 4.49Å; L190-F193 PolarHBondContact O-N 2.89Å; I191-F193 VanDerWaalsContact C-N 3.29Å; I191-F193 PolarHBondContact O-N 2.72Å; F193-Q195 VanDerWaalsContact C-N 3.32Å; F193-Q195 PolarHBondContact O-N 3.42Å; F193-Y196 HydrophobicContact CD2-CD1 4.43Å; F193-Y196 HydrophobicContact CE2-CD1 4.4Å; F193-Y196 WeakPolarHBondContact O-CA 3.35Å; F193-Y196 VanDerWaalsContact O-CB 3.25Å; F193-Y196 WeakPolarHBondContact O-CB 3.47Å; F193-Y196 PolarHBondContact O-N 3.25Å; F193-Y196 VanDerWaalsContact O-N 3.08Å; F193-L197 HydrophobicContact CD1-CD1 4.35Å; F193-L197 HydrophobicContact CD2-CG 4.46Å; F193-L197 HydrophobicContact CE1-CD1 3.86Å; F193-L197 HydrophobicContact CE1-CG 4.29Å; F193-L197 HydrophobicContact CE2-CD1 4.49Å; F193-L197 HydrophobicContact CE2-CD2 3.89Å; F193-L197 HydrophobicContact CE2-CG 4.04Å; F193-L197 HydrophobicContact CZ-CD1 3.94Å; F193-L197 HydrophobicContact CZ-CD2 3.81Å; F193-L197 HydrophobicContact CZ-CG 3.96Å; F193-L197 WeakPolarHBondContact O-CG 3.5Å; F193-L197 PolarHBondContact O-N 3.01Å; F193-F213 HydrophobicContact CD1-CD2 4.17Å; F193-F213 AromaticContact CD1-CE2 3.7Å; F193-F213 HydrophobicContact CD1-CE2 3.7Å; F193-F213 HydrophobicContact CD1-CZ 4.24Å; F193-F213 AromaticContact CE1-CD2 3.85Å; F193-F213 HydrophobicContact CE1-CD2 3.85Å; F193-F213 AromaticContact CE1-CE2 3.77Å; F193-F213 HydrophobicContact CE1-CE2 3.77Å; F193-I279 HydrophobicContact CE1-CG2 3.7Å; F193-I279 HydrophobicContact CZ-CG2 3.67Å; F193-F282 HydrophobicContact CE2-CB 4.05Å; F193-F282 HydrophobicContact CZ-CB 4.26Å; F193-W283 HydrophobicContact CB-CE3 4.12Å; F193-W283 HydrophobicContact CB-CZ3 3.86Å; F193-W283 AromaticContact CD1-CE3 3.72Å; F193-W283 HydrophobicContact CD1-CE3 3.72Å; F193-W283 HydrophobicContact CD1-CZ3 4.11Å; F193-W283 AromaticContact CD2-CE3 3.7Å; F193-W283 HydrophobicContact CD2-CE3 3.7Å; F193-W283 HydrophobicContact CD2-CZ3 4.29Å; F193-W283 HydrophobicContact CE1-CB 4.37Å; F193-W283 AromaticContact CE1-CE3 3.99Å; F193-W283 HydrophobicContact CE1-CE3 3.99Å; F193-W283 VanDerWaalsContact CE2-CA 3.43Å; F193-W283 HydrophobicContact CE2-CB 3.98Å; F193-W283 AromaticContact CE2-CE3 4Å; F193-W283 HydrophobicContact CE2-CE3 4Å; F193-W283 AromaticContact CG-CE3 3.55Å; F193-W283 HydrophobicContact CG-CE3 3.55Å; F193-W283 AromaticContact CG-CZ3 3.82Å; F193-W283 HydrophobicContact CG-CZ3 3.82Å; F193-W283 HydrophobicContact CZ-CB 3.73Å; F193-W283 HydrophobicContact CZ-CE3 4.13Å; F193-F286 HydrophobicContact CB-CD1 4.05Å; F193-F286 HydrophobicContact CB-CE1 3.96Å; F193-F286 HydrophobicContact CB-CG 4.43Å; F193-F286 HydrophobicContact CB-CZ 4.28Å; F193-F286 HydrophobicContact CD2-CB 3.73Å; F193-F286 AromaticContact CD2-CD1 3.88Å; F193-F286 HydrophobicContact CD2-CD1 3.88Å; F193-F286 HydrophobicContact CD2-CD2 4.37Å; F193-F286 AromaticContact CD2-CG 3.74Å; F193-F286 HydrophobicContact CD2-CG 3.74Å; F193-F286 HydrophobicContact CE2-CB 4.1Å; F193-F286 HydrophobicContact CG-CD1 4.31Å
194Y83.8Confident77.3Confident46 Ų4656.9 Ų56.918%0.1827%0.272CS..Hα-helixtrans-58.1-45.4173.2175.8-96.4000111.2L190 I191 Y196 L197 V198 D210 F213 I214L190-Y194 WeakPolarHBondContact O-CB 3.4Å; L190-Y194 PolarHBondContact O-N 3.43Å; I191-Y194 PolarHBondContact O-N 3.29Å; Y194-Y196 VanDerWaalsContact C-N 3.29Å; Y194-Y196 PolarHBondContact O-N 2.82Å; Y194-L197 WeakPolarHBondContact O-CB 3.44Å; Y194-L197 PolarHBondContact O-N 3.15Å; Y194-L197 VanDerWaalsContact O-N 3.13Å; Y194-V198 HydrophobicContact CD1-CG2 4.32Å; Y194-V198 HydrophobicContact CE1-CG2 3.85Å; Y194-V198 HydrophobicContact CE2-CG2 4.49Å; Y194-V198 WeakPolarHBondContact O-CG2 3.46Å; Y194-V198 PolarHBondContact O-N 2.81Å; Y194-D210 HydrophobicContact CD2-CB 4.48Å; Y194-D210 HydrophobicContact CE2-CB 3.94Å; Y194-F213 AromaticContact CD2-CD1 3.89Å; Y194-F213 HydrophobicContact CD2-CD1 3.89Å; Y194-F213 HydrophobicContact CD2-CE1 4.23Å; Y194-I214 HydrophobicContact CE2-CD1 3.71Å; Y194-I214 HydrophobicContact CE2-CG1 3.97Å
195Q77.7Confident78.1Confident95 Ų9559 Ų5944%0.44429%0.287SS..Hα-helixtrans-59.9-40.6174.1-171.365.840.600111.8I191 L192 F193 L197 V198 D199I191-Q195 PolarHBondContact O-N 3.45Å; L192-Q195 PolarHBondContact O-N 3.15Å; F193-Q195 VanDerWaalsContact C-N 3.32Å; F193-Q195 PolarHBondContact O-N 3.42Å; Q195-L197 VanDerWaalsContact C-N 3.32Å; Q195-L197 PolarHBondContact O-N 3.03Å; Q195-V198 PolarHBondContact O-N 3.49Å; Q195-D199 PolarHBondContact NE2-OD1 2.8Å; Q195-D199 VanDerWaalsContact O-CG 3.26Å; Q195-D199 PolarHBondContact O-N 2.83Å
196Y85.3Confident78.9Confident8 Ų857.1 Ų57.13%0.03128%0.275CS..Hα-helixtrans-60-41174.8-172.5-95.3000112.1F160 I162 L192 F193 Y194 D199 Y200 F282 F286 I290F160-Y196 HydrophobicContact CZ-CE2 4.27Å; I162-Y196 WeakPolarHBondContact CA-OH 3.49Å; I162-Y196 HydrophobicContact CG2-CE1 4.46Å; I162-Y196 PolarHBondContact O-OH 2.88Å; I162-Y196 VanDerWaalsContact O-OH 3.07Å; L192-Y196 WeakPolarHBondContact O-CB 3.32Å; L192-Y196 PolarHBondContact O-N 3.08Å; F193-Y196 HydrophobicContact CD2-CD1 4.43Å; F193-Y196 HydrophobicContact CE2-CD1 4.4Å; F193-Y196 WeakPolarHBondContact O-CA 3.35Å; F193-Y196 VanDerWaalsContact O-CB 3.25Å; F193-Y196 WeakPolarHBondContact O-CB 3.47Å; F193-Y196 PolarHBondContact O-N 3.25Å; F193-Y196 VanDerWaalsContact O-N 3.08Å; Y194-Y196 VanDerWaalsContact C-N 3.29Å; Y194-Y196 PolarHBondContact O-N 2.82Å; Y196-D199 PolarHBondContact O-N 3.37Å; Y196-Y200 HydrophobicContact CD1-CD2 4.3Å; Y196-Y200 AromaticContact CD2-CD2 3.44Å; Y196-Y200 HydrophobicContact CD2-CD2 3.44Å; Y196-Y200 VanDerWaalsContact CD2-CD2 3.44Å; Y196-Y200 AromaticContact CD2-CE2 3.49Å; Y196-Y200 HydrophobicContact CD2-CE2 3.49Å; Y196-Y200 VanDerWaalsContact CD2-CE2 3.49Å; Y196-Y200 HydrophobicContact CE1-CD2 4.36Å; Y196-Y200 AromaticContact CE2-CD2 3.48Å; Y196-Y200 HydrophobicContact CE2-CD2 3.48Å; Y196-Y200 VanDerWaalsContact CE2-CD2 3.48Å; Y196-Y200 AromaticContact CE2-CE2 3.5Å; Y196-Y200 HydrophobicContact CE2-CE2 3.5Å; Y196-Y200 HydrophobicContact CE2-CG 4.31Å; Y196-Y200 AromaticContact CG-CD2 3.87Å; Y196-Y200 HydrophobicContact CG-CD2 3.87Å; Y196-Y200 HydrophobicContact CG-CE2 4.33Å; Y196-Y200 AromaticContact CZ-CD2 3.96Å; Y196-Y200 WeakPolarHBondContact O-CB 3.32Å; Y196-Y200 VanDerWaalsContact O-CD2 3.26Å; Y196-Y200 WeakPolarHBondContact O-CD2 3.22Å; Y196-Y200 PolarHBondContact O-N 2.88Å; Y196-F282 HydrophobicContact CE1-CB 4.43Å; Y196-F282 HydrophobicContact CE1-CD1 4.26Å; Y196-F286 HydrophobicContact CD1-CB 3.86Å; Y196-F286 HydrophobicContact CD1-CD2 4.37Å; Y196-F286 HydrophobicContact CD2-CB 4.46Å; Y196-F286 AromaticContact CD2-CD2 3.85Å; Y196-F286 HydrophobicContact CD2-CD2 3.85Å; Y196-F286 HydrophobicContact CE1-CB 4.01Å; Y196-F286 HydrophobicContact CG-CB 4.1Å; Y196-F286 AromaticContact CG-CD2 3.74Å; Y196-F286 HydrophobicContact CG-CD2 3.74Å; Y196-F286 HydrophobicContact CG-CG 4.34Å; Y196-I290 HydrophobicContact CD2-CD1 4.37Å; Y196-I290 HydrophobicContact CD2-CG1 3.92Å; Y196-I290 HydrophobicContact CE2-CD1 4.28Å; Y196-I290 HydrophobicContact CE2-CG1 3.96Å
197L86.4Confident79.3Confident1 Ų158.9 Ų58.91%0.00529%0.288CS..Hα-helixtrans-64.2-43.5175.5-68.6-178.7000112F193 Y194 Q195 G201 I209 D210 F213 I279 F282F193-L197 HydrophobicContact CD1-CD1 4.35Å; F193-L197 HydrophobicContact CD2-CG 4.46Å; F193-L197 HydrophobicContact CE1-CD1 3.86Å; F193-L197 HydrophobicContact CE1-CG 4.29Å; F193-L197 HydrophobicContact CE2-CD1 4.49Å; F193-L197 HydrophobicContact CE2-CD2 3.89Å; F193-L197 HydrophobicContact CE2-CG 4.04Å; F193-L197 HydrophobicContact CZ-CD1 3.94Å; F193-L197 HydrophobicContact CZ-CD2 3.81Å; F193-L197 HydrophobicContact CZ-CG 3.96Å; F193-L197 WeakPolarHBondContact O-CG 3.5Å; F193-L197 PolarHBondContact O-N 3.01Å; Y194-L197 WeakPolarHBondContact O-CB 3.44Å; Y194-L197 PolarHBondContact O-N 3.15Å; Y194-L197 VanDerWaalsContact O-N 3.13Å; Q195-L197 VanDerWaalsContact C-N 3.32Å; Q195-L197 PolarHBondContact O-N 3.03Å; L197-G201 VanDerWaalsContact O-CA 3.29Å; L197-G201 WeakPolarHBondContact O-CA 3.5Å; L197-G201 PolarHBondContact O-N 3.44Å; L197-I209 HydrophobicContact CB-CG2 4.09Å; L197-I209 HydrophobicContact CD2-CG1 3.94Å; L197-I209 HydrophobicContact CD2-CG2 4.12Å; L197-D210 HydrophobicContact CB-CB 4.21Å; L197-F213 HydrophobicContact CD1-CB 3.54Å; L197-F213 HydrophobicContact CD1-CD1 4.45Å; L197-F213 HydrophobicContact CD1-CD2 4.01Å; L197-F213 HydrophobicContact CD1-CG 3.75Å; L197-I279 HydrophobicContact CD1-CG2 4.45Å; L197-F282 HydrophobicContact CD2-CB 3.5Å; L197-F282 HydrophobicContact CD2-CD1 4.03Å; L197-F282 HydrophobicContact CD2-CD2 4.18Å; L197-F282 HydrophobicContact CD2-CG 3.68Å
198V79.7Confident79.6Confident60 Ų6061 Ų6136%0.36429%0.294SS..Hα-helixtrans-61.5-45.6176.9173.30000111.4Y194 Q195 D210Y194-V198 HydrophobicContact CD1-CG2 4.32Å; Y194-V198 HydrophobicContact CE1-CG2 3.85Å; Y194-V198 HydrophobicContact CE2-CG2 4.49Å; Y194-V198 WeakPolarHBondContact O-CG2 3.46Å; Y194-V198 PolarHBondContact O-N 2.81Å; Q195-V198 PolarHBondContact O-N 3.49Å; V198-D210 HydrophobicContact CG2-CB 3.79Å
199D79Confident80.2Confident75 Ų7558.3 Ų58.340%0.40128%0.28SS..Hα-helixtrans-75.2-30.6-173.9-67.1-15.8000113.5Q195 Y196 K203Q195-D199 PolarHBondContact NE2-OD1 2.8Å; Q195-D199 VanDerWaalsContact O-CG 3.26Å; Q195-D199 PolarHBondContact O-N 2.83Å; Y196-D199 PolarHBondContact O-N 3.37Å; D199-K203 WeakPolarHBondContact O-CE 3.28Å
200Y86.5Confident80.1Confident54 Ų5457.2 Ų57.221%0.21228%0.277CS..Hα-helixtrans-116.1-15.5-171.1-63.3-78.8000114.6F160 I162 Y196 Y202 K203 E204F160-Y200 AromaticContact CE1-CE1 3.9Å; F160-Y200 HydrophobicContact CE1-CE1 3.9Å; F160-Y200 HydrophobicContact CZ-CE1 4.01Å; F160-Y200 AromaticContact CZ-CZ 3.86Å; I162-Y200 HydrophobicContact CD1-CD1 3.71Å; I162-Y200 HydrophobicContact CD1-CG 4.45Å; I162-Y200 HydrophobicContact CG1-CD1 3.8Å; I162-Y200 HydrophobicContact CG1-CE1 4.45Å; I162-Y200 HydrophobicContact CG1-CG 4.37Å; I162-Y200 HydrophobicContact CG2-CD1 4.48Å; I162-Y200 HydrophobicContact CG2-CG 4.24Å; Y196-Y200 HydrophobicContact CD1-CD2 4.3Å; Y196-Y200 AromaticContact CD2-CD2 3.44Å; Y196-Y200 HydrophobicContact CD2-CD2 3.44Å; Y196-Y200 VanDerWaalsContact CD2-CD2 3.44Å; Y196-Y200 AromaticContact CD2-CE2 3.49Å; Y196-Y200 HydrophobicContact CD2-CE2 3.49Å; Y196-Y200 VanDerWaalsContact CD2-CE2 3.49Å; Y196-Y200 HydrophobicContact CE1-CD2 4.36Å; Y196-Y200 AromaticContact CE2-CD2 3.48Å; Y196-Y200 HydrophobicContact CE2-CD2 3.48Å; Y196-Y200 VanDerWaalsContact CE2-CD2 3.48Å; Y196-Y200 AromaticContact CE2-CE2 3.5Å; Y196-Y200 HydrophobicContact CE2-CE2 3.5Å; Y196-Y200 HydrophobicContact CE2-CG 4.31Å; Y196-Y200 AromaticContact CG-CD2 3.87Å; Y196-Y200 HydrophobicContact CG-CD2 3.87Å; Y196-Y200 HydrophobicContact CG-CE2 4.33Å; Y196-Y200 AromaticContact CZ-CD2 3.96Å; Y196-Y200 WeakPolarHBondContact O-CB 3.32Å; Y196-Y200 VanDerWaalsContact O-CD2 3.26Å; Y196-Y200 WeakPolarHBondContact O-CD2 3.22Å; Y196-Y200 PolarHBondContact O-N 2.88Å; Y200-Y202 PolarHBondContact O-N 3.49Å; Y200-K203 HydrophobicContact CD1-CD 3.97Å; Y200-K203 PolarHBondContact O-N 3Å; Y200-E204 PolarHBondContact O-N 3.14Å
201G79.7Confident79.9Confident1 Ų160.3 Ų60.31%0.0129%0.291CS..Hα-helixtrans-58.8-47.8177.700000112.6L197 K203 E204 C206 I209L197-G201 VanDerWaalsContact O-CA 3.29Å; L197-G201 WeakPolarHBondContact O-CA 3.5Å; L197-G201 PolarHBondContact O-N 3.44Å; G201-K203 VanDerWaalsContact C-N 3.27Å; G201-K203 PolarHBondContact O-N 3.25Å; G201-E204 PolarHBondContact O-N 3.04Å; G201-C206 CarbonylContact C-O 3.54Å; G201-C206 WeakPolarHBondContact CA-O 3.42Å; G201-C206 CarbonylContact O-C 3.52Å; G201-C206 VanDerWaalsContact O-C 3.29Å; G201-C206 WeakPolarHBondContact O-CA 3.22Å; G201-C206 PolarHBondContact O-N 3.07Å; G201-I209 VanDerWaalsContact CA-CG2 3.49Å
202Y75.5Confident80.1Confident185 Ų18559 Ų5973%0.72529%0.285SS*.G310 helixtrans-59.4-37.2176.6-170.3-93.9000112.6Y200 E204 N205 P207Y200-Y202 PolarHBondContact O-N 3.49Å; Y202-E204 PolarHBondContact O-N 3.15Å; Y202-N205 PolarHBondContact O-N 3.48Å; Y202-P207 HydrophobicContact CD2-CB 4.17Å
203K82.1Confident80.3Confident122 Ų12256.1 Ų56.153%0.5327%0.27SS..G310 helixtrans-68.5-23.5-179.1-64.2177.8-177.4168.30113.4I162 D199 Y200 G201I162-K203 HydrophobicContact CD1-CB 4.27Å; D199-K203 WeakPolarHBondContact O-CE 3.28Å; Y200-K203 HydrophobicContact CD1-CD 3.97Å; Y200-K203 PolarHBondContact O-N 3Å; G201-K203 VanDerWaalsContact C-N 3.27Å; G201-K203 PolarHBondContact O-N 3.25Å
204E82.6Confident79.8Confident71 Ų7157.6 Ų57.633%0.33228%0.277SS..G310 helixtrans-102.417.7-179.1-73.7-72145.100112.6I162 K163 Y200 G201 Y202 C206 F282I162-E204 HydrophobicContact CB-CG 4.05Å; I162-E204 HydrophobicContact CD1-CG 4.12Å; I162-E204 HydrophobicContact CG2-CG 3.67Å; K163-E204 HydrophobicContact CD-CG 4.4Å; K163-E204 HydrophobicContact CG-CG 4.42Å; K163-E204 IonicContact NZ-OE2 3.82Å; Y200-E204 PolarHBondContact O-N 3.14Å; G201-E204 PolarHBondContact O-N 3.04Å; Y202-E204 PolarHBondContact O-N 3.15Å; E204-C206 PolarHBondContact O-N 3.02Å; E204-F282 HydrophobicContact CB-CE1 4.23Å; E204-F282 HydrophobicContact CB-CZ 3.93Å; E204-F282 HydrophobicContact CG-CE1 4.15Å; E204-F282 HydrophobicContact CG-CZ 4.29Å
205N79Confident79.4Confident147 Ų14757.9 Ų57.979%0.78628%0.28SS*.THydrogen-bonded Turntrans56.828.8-173.9-62.7-38.5000113.9Y202 P207Y202-N205 PolarHBondContact O-N 3.48Å; N205-P207 VanDerWaalsContact O-CD 3.3Å; N205-P207 WeakPolarHBondContact O-CD 3.19Å
206C78.9Confident79.5Confident27 Ų2753.8 Ų53.818%0.18226%0.261CS..  trans-117.468.1173.7-59.10000109.5K163 G201 E204 F208 I209 F282K163-C206 PolarHBondContact NZ-SG 3.18Å; G201-C206 CarbonylContact C-O 3.54Å; G201-C206 WeakPolarHBondContact CA-O 3.42Å; G201-C206 CarbonylContact O-C 3.52Å; G201-C206 VanDerWaalsContact O-C 3.29Å; G201-C206 WeakPolarHBondContact O-CA 3.22Å; G201-C206 PolarHBondContact O-N 3.07Å; E204-C206 PolarHBondContact O-N 3.02Å; C206-F208 PolarHBondContact O-N 2.96Å; C206-F208 VanDerWaalsContact O-N 3.08Å; C206-I209 HydrophobicContact CB-CB 4.03Å; C206-I209 HydrophobicContact CB-CG2 4.44Å; C206-I209 WeakPolarHBondContact O-CG2 3.26Å; C206-I209 PolarHBondContact O-N 3.41Å; C206-F282 HydrophobicContact CB-CE2 4.41Å; C206-F282 HydrophobicContact CB-CZ 4.17Å
207P73.6Confident79.2Confident62 Ų6253.9 Ų53.940%0.40326%0.261SS..THydrogen-bonded Turntrans-67.9-10.7-170.329.4-37.4000114.4Y202 N205Y202-P207 HydrophobicContact CD2-CB 4.17Å; N205-P207 VanDerWaalsContact O-CD 3.3Å; N205-P207 WeakPolarHBondContact O-CD 3.19Å
208F75.1Confident78.5Confident99 Ų9956.5 Ų56.543%0.43427%0.273SS..THydrogen-bonded Turntrans-116.313.9-177.8-55.5-54.8000113.1C206 D210 Q211 D212 R333C206-F208 PolarHBondContact O-N 2.96Å; C206-F208 VanDerWaalsContact O-N 3.08Å; F208-D210 VanDerWaalsContact C-N 3.32Å; F208-D210 PolarHBondContact O-N 3.26Å; F208-Q211 CarbonylContact O-C 3.29Å; F208-Q211 WeakPolarHBondContact O-CA 3.45Å; F208-Q211 PolarHBondContact O-N 2.78Å; F208-D212 VanDerWaalsContact O-CG 3.29Å; F208-D212 PolarHBondContact O-N 2.79Å; F208-R333 VanDerWaalsContact CG-NH2 3.33Å
209I80.5Confident78Confident0 Ų054.1 Ų54.10%026%0.259CS..Hα-helixtrans-66.2-32.2-173.6-166.768.7000113.6L197 G201 C206 Q211 D212 F213 E278 I279 F282L197-I209 HydrophobicContact CB-CG2 4.09Å; L197-I209 HydrophobicContact CD2-CG1 3.94Å; L197-I209 HydrophobicContact CD2-CG2 4.12Å; G201-I209 VanDerWaalsContact CA-CG2 3.49Å; C206-I209 HydrophobicContact CB-CB 4.03Å; C206-I209 HydrophobicContact CB-CG2 4.44Å; C206-I209 WeakPolarHBondContact O-CG2 3.26Å; C206-I209 PolarHBondContact O-N 3.41Å; I209-Q211 VanDerWaalsContact C-N 3.26Å; I209-D212 PolarHBondContact O-N 2.71Å; I209-F213 WeakPolarHBondContact O-CB 3.16Å; I209-F213 PolarHBondContact O-N 3.16Å; I209-E278 HydrophobicContact CD1-CB 3.9Å; I209-I279 HydrophobicContact CD1-CG1 3.72Å; I209-I279 HydrophobicContact CG1-CG1 4.22Å; I209-F282 HydrophobicContact CB-CE2 4.45Å; I209-F282 HydrophobicContact CD1-CD2 4.31Å; I209-F282 HydrophobicContact CD1-CE2 4.05Å; I209-F282 HydrophobicContact CG1-CD2 3.93Å; I209-F282 HydrophobicContact CG1-CE2 3.71Å; I209-F282 HydrophobicContact CG1-CZ 4.35Å; I209-F282 HydrophobicContact CG2-CZ 4.38Å
210D77.4Confident77.9Confident24 Ų2451.1 Ų51.113%0.12824%0.243CC..Hα-helixtrans-63.5-38.2168.664-49000110.8Y194 L197 V198 F208 F213 I214Y194-D210 HydrophobicContact CD2-CB 4.48Å; Y194-D210 HydrophobicContact CE2-CB 3.94Å; L197-D210 HydrophobicContact CB-CB 4.21Å; V198-D210 HydrophobicContact CG2-CB 3.79Å; F208-D210 VanDerWaalsContact C-N 3.32Å; F208-D210 PolarHBondContact O-N 3.26Å; D210-F213 PolarHBondContact O-N 2.86Å; D210-I214 WeakPolarHBondContact O-CG1 3.17Å; D210-I214 PolarHBondContact O-N 3.42Å; D210-I214 VanDerWaalsContact O-N 3.12Å
211Q75.3Confident77.2Confident67 Ų6750.7 Ų50.731%0.31324%0.241SC..Hα-helixtrans-45.9-60.3167.849.4114.619.900112.1F208 I209 F213 I214 F215 R333F208-Q211 CarbonylContact O-C 3.29Å; F208-Q211 WeakPolarHBondContact O-CA 3.45Å; F208-Q211 PolarHBondContact O-N 2.78Å; I209-Q211 VanDerWaalsContact C-N 3.26Å; Q211-F213 VanDerWaalsContact C-N 3.32Å; Q211-F213 PolarHBondContact O-N 3.06Å; Q211-I214 PolarHBondContact O-N 2.89Å; Q211-F215 PolarHBondContact O-N 3.32Å; Q211-R333 VanDerWaalsContact CD-NH2 3.28Å
212D77.9Confident76.6Confident33 Ų3352.9 Ų52.918%0.17625%0.25CS..Hα-helixtrans-68-34.2-175.1-58.2-32000111.5F208 I209 F215 H216 T275 I279F208-D212 VanDerWaalsContact O-CG 3.29Å; F208-D212 PolarHBondContact O-N 2.79Å; I209-D212 PolarHBondContact O-N 2.71Å; D212-F215 WeakPolarHBondContact O-CB 3.37Å; D212-F215 PolarHBondContact O-N 3.44Å; D212-H216 WeakPolarHBondContact O-CB 3.38Å; D212-H216 PolarHBondContact O-N 3.29Å; D212-T275 HydrophobicContact CB-CG2 3.93Å; D212-I279 HydrophobicContact CB-CD1 4.28Å
213F82.6Confident76.3Confident1 Ų145 Ų450%0.00422%0.22CC..Hα-helixtrans-63.4-44.7173.2174.9-96000112.2L178 L190 F193 Y194 L197 I209 D210 Q211 H216 I217 I279L178-F213 HydrophobicContact CD2-CD2 4.06Å; L178-F213 HydrophobicContact CD2-CE2 3.47Å; L178-F213 VanDerWaalsContact CD2-CE2 3.47Å; L178-F213 HydrophobicContact CD2-CZ 4.01Å; L190-F213 HydrophobicContact CB-CZ 4.44Å; L190-F213 HydrophobicContact CD2-CE2 4.18Å; L190-F213 HydrophobicContact CD2-CZ 3.97Å; F193-F213 HydrophobicContact CD1-CD2 4.17Å; F193-F213 AromaticContact CD1-CE2 3.7Å; F193-F213 HydrophobicContact CD1-CE2 3.7Å; F193-F213 HydrophobicContact CD1-CZ 4.24Å; F193-F213 AromaticContact CE1-CD2 3.85Å; F193-F213 HydrophobicContact CE1-CD2 3.85Å; F193-F213 AromaticContact CE1-CE2 3.77Å; F193-F213 HydrophobicContact CE1-CE2 3.77Å; Y194-F213 AromaticContact CD2-CD1 3.89Å; Y194-F213 HydrophobicContact CD2-CD1 3.89Å; Y194-F213 HydrophobicContact CD2-CE1 4.23Å; L197-F213 HydrophobicContact CD1-CB 3.54Å; L197-F213 HydrophobicContact CD1-CD1 4.45Å; L197-F213 HydrophobicContact CD1-CD2 4.01Å; L197-F213 HydrophobicContact CD1-CG 3.75Å; I209-F213 WeakPolarHBondContact O-CB 3.16Å; I209-F213 PolarHBondContact O-N 3.16Å; D210-F213 PolarHBondContact O-N 2.86Å; Q211-F213 VanDerWaalsContact C-N 3.32Å; Q211-F213 PolarHBondContact O-N 3.06Å; F213-H216 PolarHBondContact O-N 3.14Å; F213-I217 HydrophobicContact CD1-CD1 4.11Å; F213-I217 HydrophobicContact CE1-CD1 3.59Å; F213-I217 HydrophobicContact CZ-CD1 3.82Å; F213-I217 PolarHBondContact O-N 3.45Å; F213-I279 HydrophobicContact CB-CD1 4.03Å; F213-I279 HydrophobicContact CD2-CG2 4.2Å
214I78Confident75.7Confident31 Ų3141.7 Ų41.716%0.15921%0.206CC..Hα-helixtrans-63.8-45.5173.9-65.4171.7000110.2Y194 D210 Q211 H216 I217 E218Y194-I214 HydrophobicContact CE2-CD1 3.71Å; Y194-I214 HydrophobicContact CE2-CG1 3.97Å; D210-I214 WeakPolarHBondContact O-CG1 3.17Å; D210-I214 PolarHBondContact O-N 3.42Å; D210-I214 VanDerWaalsContact O-N 3.12Å; Q211-I214 PolarHBondContact O-N 2.89Å; I214-H216 VanDerWaalsContact C-N 3.28Å; I214-H216 PolarHBondContact O-N 3.48Å; I214-I217 PolarHBondContact O-N 3.07Å; I214-I217 VanDerWaalsContact O-N 3.16Å; I214-E218 HydrophobicContact CG2-CG 4.45Å; I214-E218 PolarHBondContact O-N 3.36Å
215F74.5Confident74.7Confident52 Ų5242 Ų4223%0.22821%0.21CC..Hα-helixtrans-54.2-45.3177.3171.7-100.2000111.8Q211 D212 I217 E218 I219 F268 A271 T275Q211-F215 PolarHBondContact O-N 3.32Å; D212-F215 WeakPolarHBondContact O-CB 3.37Å; D212-F215 PolarHBondContact O-N 3.44Å; F215-I217 VanDerWaalsContact C-N 3.34Å; F215-I217 PolarHBondContact O-N 2.93Å; F215-E218 PolarHBondContact O-N 2.68Å; F215-E218 VanDerWaalsContact O-N 3.14Å; F215-I219 HydrophobicContact CD1-CG1 4.33Å; F215-I219 HydrophobicContact CD2-CG1 4.33Å; F215-I219 HydrophobicContact CE1-CG1 3.84Å; F215-I219 HydrophobicContact CE2-CD1 3.78Å; F215-I219 HydrophobicContact CE2-CG1 3.84Å; F215-I219 HydrophobicContact CZ-CD1 3.81Å; F215-I219 HydrophobicContact CZ-CG1 3.57Å; F215-I219 PolarHBondContact O-N 3.13Å; F215-F268 HydrophobicContact CZ-CD1 4.45Å; F215-A271 HydrophobicContact CE1-CB 4.15Å; F215-A271 HydrophobicContact CZ-CB 4.26Å; F215-T275 HydrophobicContact CD1-CG2 4.12Å; F215-T275 HydrophobicContact CE1-CG2 4.42Å
216H78.8Confident74Confident10 Ų1038.3 Ų38.35%0.04619%0.188CC..Hα-helixtrans-60.8-41.6179.3-165.799.4000112.6D212 F213 I214 E218 I219 L220 V272 F276D212-H216 WeakPolarHBondContact O-CB 3.38Å; D212-H216 PolarHBondContact O-N 3.29Å; F213-H216 PolarHBondContact O-N 3.14Å; I214-H216 VanDerWaalsContact C-N 3.28Å; I214-H216 PolarHBondContact O-N 3.48Å; H216-E218 VanDerWaalsContact C-N 3.33Å; H216-E218 PolarHBondContact O-N 3.2Å; H216-I219 PolarHBondContact O-N 3.24Å; H216-L220 WeakPolarHBondContact O-CG 3.48Å; H216-L220 PolarHBondContact O-N 3.22Å; H216-L220 VanDerWaalsContact O-N 3.11Å; H216-V272 WeakPolarHBondContact CE1-CG1 3.3Å; H216-F276 AromaticContact CE1-CD2 3.53Å; H216-F276 AromaticContact CE1-CG 3.92Å; H216-F276 AromaticContact NE2-CD2 3.78Å
217I79.9Confident73.3Confident9 Ų942.7 Ų42.75%0.04620%0.2CC..Hα-helixtrans-63.4-40.6175.9-64.7166.5000110.8L178 A181 L186 F213 I214 F215 L220 R221L178-I217 HydrophobicContact CD2-CD1 4.17Å; L178-I217 HydrophobicContact CD2-CG1 3.68Å; A181-I217 HydrophobicContact CB-CD1 4.4Å; L186-I217 HydrophobicContact CD2-CD1 4.02Å; F213-I217 HydrophobicContact CD1-CD1 4.11Å; F213-I217 HydrophobicContact CE1-CD1 3.59Å; F213-I217 HydrophobicContact CZ-CD1 3.82Å; F213-I217 PolarHBondContact O-N 3.45Å; I214-I217 PolarHBondContact O-N 3.07Å; I214-I217 VanDerWaalsContact O-N 3.16Å; F215-I217 VanDerWaalsContact C-N 3.34Å; F215-I217 PolarHBondContact O-N 2.93Å; I217-L220 PolarHBondContact O-N 2.88Å; I217-R221 WeakPolarHBondContact O-CG 3.28Å; I217-R221 PolarHBondContact O-N 3.32Å
218E72.1Confident72.2Confident56 Ų5642.9 Ų42.926%0.26221%0.213SC..Hα-helixtrans-66.9-37.4178.8-69.7-61.4129.300112.6I214 F215 H216 R221 F222I214-E218 HydrophobicContact CG2-CG 4.45Å; I214-E218 PolarHBondContact O-N 3.36Å; F215-E218 PolarHBondContact O-N 2.68Å; F215-E218 VanDerWaalsContact O-N 3.14Å; H216-E218 VanDerWaalsContact C-N 3.33Å; H216-E218 PolarHBondContact O-N 3.2Å; E218-R221 WeakPolarHBondContact O-CB 3.36Å; E218-R221 PolarHBondContact O-N 2.85Å; E218-R221 IonicContact OE1-CZ 3.43Å; E218-R221 IonicContact OE1-NE 3.99Å; E218-R221 IonicContact OE1-NH1 2.64Å; E218-R221 PolarHBondContact OE1-NH1 3Å; E218-F222 WeakPolarHBondContact O-CB 3.35Å; E218-F222 PolarHBondContact O-N 3.43Å
219I69Low70.8Confident10 Ų1045.8 Ų45.85%0.05123%0.228CC..Hα-helixtrans-67.8-40.8174.5-60.2-55000111.4F215 H216 R221 F222 E223 F268 V272F215-I219 HydrophobicContact CD1-CG1 4.33Å; F215-I219 HydrophobicContact CD2-CG1 4.33Å; F215-I219 HydrophobicContact CE1-CG1 3.84Å; F215-I219 HydrophobicContact CE2-CD1 3.78Å; F215-I219 HydrophobicContact CE2-CG1 3.84Å; F215-I219 HydrophobicContact CZ-CD1 3.81Å; F215-I219 HydrophobicContact CZ-CG1 3.57Å; F215-I219 PolarHBondContact O-N 3.13Å; H216-I219 PolarHBondContact O-N 3.24Å; I219-R221 VanDerWaalsContact C-N 3.26Å; I219-R221 PolarHBondContact O-N 3.28Å; I219-F222 WeakPolarHBondContact O-CA 3.43Å; I219-F222 WeakPolarHBondContact O-CB 3.22Å; I219-F222 PolarHBondContact O-N 2.94Å; I219-E223 HydrophobicContact CG2-CG 4.36Å; I219-E223 PolarHBondContact O-N 3.32Å; I219-F268 HydrophobicContact CD1-CB 4.07Å; I219-F268 HydrophobicContact CD1-CD1 3.95Å; I219-F268 HydrophobicContact CD1-CD2 3.75Å; I219-F268 HydrophobicContact CD1-CE1 4.32Å; I219-F268 HydrophobicContact CD1-CE2 4.14Å; I219-F268 HydrophobicContact CD1-CG 3.64Å; I219-F268 HydrophobicContact CD1-CZ 4.41Å; I219-F268 HydrophobicContact CG1-CB 4.26Å; I219-F268 HydrophobicContact CG1-CG 4.37Å; I219-F268 HydrophobicContact CG2-CB 3.8Å; I219-F268 HydrophobicContact CG2-CD2 4.34Å; I219-F268 HydrophobicContact CG2-CG 4.34Å; I219-V272 HydrophobicContact CB-CG2 3.77Å; I219-V272 HydrophobicContact CG1-CG2 4Å; I219-V272 HydrophobicContact CG2-CG2 3.41Å; I219-V272 VanDerWaalsContact CG2-CG2 3.41Å
220L76.2Confident69.1Low13 Ų1347.3 Ų47.37%0.06824%0.237CC..Hα-helixtrans-60.4-37.8173.7-70.5173.9000111.8L178 K179 A182 H216 I217 E224L178-L220 HydrophobicContact CB-CD1 3.69Å; K179-L220 HydrophobicContact CG-CD1 4.42Å; K179-L220 HydrophobicContact CG-CD2 4.46Å; A182-L220 HydrophobicContact CB-CB 4.07Å; H216-L220 WeakPolarHBondContact O-CG 3.48Å; H216-L220 PolarHBondContact O-N 3.22Å; H216-L220 VanDerWaalsContact O-N 3.11Å; I217-L220 PolarHBondContact O-N 2.88Å; L220-E224 WeakPolarHBondContact O-CB 3.42Å; L220-E224 PolarHBondContact O-N 3.49Å
221R72.2Confident67.5Low44 Ų4452 Ų5217%0.16626%0.259CS..Hα-helixtrans-61.1-46.5171.3-73.7170.4179.3179.5-0.7111.4A181 A182 F183 I217 E218 I219 E224 L225A181-R221 PolarHBondContact O-NH2 2.8Å; A182-R221 HydrophobicContact CB-CG 3.85Å; A182-R221 WeakPolarHBondContact O-CD 3.45Å; A182-R221 WeakPolarHBondContact O-CG 3.32Å; A182-R221 PolarHBondContact O-NE 3.19Å; F183-R221 HydrophobicContact CZ-CB 4.24Å; F183-R221 HydrophobicContact CZ-CG 4.37Å; F183-R221 WeakPolarHBondContact CZ-O 3.36Å; I217-R221 WeakPolarHBondContact O-CG 3.28Å; I217-R221 PolarHBondContact O-N 3.32Å; E218-R221 WeakPolarHBondContact O-CB 3.36Å; E218-R221 PolarHBondContact O-N 2.85Å; E218-R221 IonicContact OE1-CZ 3.43Å; E218-R221 IonicContact OE1-NE 3.99Å; E218-R221 IonicContact OE1-NH1 2.64Å; E218-R221 PolarHBondContact OE1-NH1 3Å; I219-R221 VanDerWaalsContact C-N 3.26Å; I219-R221 PolarHBondContact O-N 3.28Å; R221-E224 PolarHBondContact O-N 3.43Å; R221-L225 WeakPolarHBondContact O-CB 3.09Å; R221-L225 WeakPolarHBondContact O-CD1 3.35Å; R221-L225 VanDerWaalsContact O-CG 3.25Å; R221-L225 WeakPolarHBondContact O-CG 3.26Å; R221-L225 PolarHBondContact O-N 2.97Å
222F67.1Low66.1Low48 Ų4854.2 Ų54.221%0.21127%0.269CS..Hα-helixtrans-61.5-49.7-179.9175.1-92.6000112.1E218 I219 E224 L225 H226 I263 F268E218-F222 WeakPolarHBondContact O-CB 3.35Å; E218-F222 PolarHBondContact O-N 3.43Å; I219-F222 WeakPolarHBondContact O-CA 3.43Å; I219-F222 WeakPolarHBondContact O-CB 3.22Å; I219-F222 PolarHBondContact O-N 2.94Å; F222-E224 VanDerWaalsContact C-N 3.31Å; F222-E224 PolarHBondContact O-N 3.39Å; F222-L225 PolarHBondContact O-N 2.8Å; F222-H226 AromaticContact CD1-CD2 3.94Å; F222-H226 AromaticContact CD2-CD2 3.53Å; F222-H226 AromaticContact CD2-NE2 3.73Å; F222-H226 AromaticContact CE1-CD2 3.61Å; F222-H226 AromaticContact CE2-CD2 3.19Å; F222-H226 WeakPolarHBondContact CE2-CD2 3.41Å; F222-H226 AromaticContact CE2-NE2 3.02Å; F222-H226 WeakPolarHBondContact CE2-NE2 3.41Å; F222-H226 AromaticContact CG-CD2 3.9Å; F222-H226 AromaticContact CZ-CD2 3.21Å; F222-H226 WeakPolarHBondContact CZ-CD2 3.34Å; F222-H226 AromaticContact CZ-NE2 3.27Å; F222-H226 VanDerWaalsContact CZ-NE2 3.27Å; F222-H226 WeakPolarHBondContact CZ-NE2 3.46Å; F222-H226 PolarHBondContact O-CD2 3.23Å; F222-H226 PolarHBondContact O-N 3.38Å; F222-I263 HydrophobicContact CZ-CG2 4.19Å; F222-F268 HydrophobicContact CD1-CD2 4.25Å; F222-F268 HydrophobicContact CD1-CE2 4.16Å; F222-F268 HydrophobicContact CE1-CD2 4.19Å; F222-F268 AromaticContact CE1-CE2 3.89Å; F222-F268 HydrophobicContact CE1-CE2 3.89Å; F222-F268 HydrophobicContact CZ-CE2 4.25Å
223E70.6Confident64.5Low18 Ų1857.5 Ų57.58%0.08429%0.286CS..Hα-helixtrans-56.2-46177.4-76.6-177-153.300111.7I219 H226 R227I219-E223 HydrophobicContact CG2-CG 4.36Å; I219-E223 PolarHBondContact O-N 3.32Å; E223-H226 PolarHBondContact O-N 3.29Å; E223-R227 WeakPolarHBondContact O-CB 3.28Å; E223-R227 WeakPolarHBondContact O-CG 3.43Å; E223-R227 PolarHBondContact O-N 2.85Å; E223-R227 IonicContact OE2-CZ 3.52Å; E223-R227 IonicContact OE2-NH1 3.65Å; E223-R227 IonicContact OE2-NH2 2.86Å; E223-R227 PolarHBondContact OE2-NH2 3.47Å
224E67.8Low62.6Low53 Ų5361.6 Ų61.625%0.24831%0.308CS..Hα-helixtrans-71.4-33.3-177.5-108.756.4138.100112.8F183 L220 R221 F222 H226 R227 V230F183-E224 HydrophobicContact CD2-CB 4.48Å; F183-E224 HydrophobicContact CE2-CB 3.39Å; F183-E224 HydrophobicContact CE2-CG 4.04Å; F183-E224 HydrophobicContact CZ-CB 3.81Å; L220-E224 WeakPolarHBondContact O-CB 3.42Å; L220-E224 PolarHBondContact O-N 3.49Å; R221-E224 PolarHBondContact O-N 3.43Å; F222-E224 VanDerWaalsContact C-N 3.31Å; F222-E224 PolarHBondContact O-N 3.39Å; E224-H226 VanDerWaalsContact C-N 3.34Å; E224-R227 IonicContact OE1-NH1 3.84Å; E224-R227 WeakPolarHBondContact OE2-CD 3.15Å; E224-R227 IonicContact OE2-CZ 3.67Å; E224-R227 IonicContact OE2-NE 3.97Å; E224-R227 IonicContact OE2-NH1 2.82Å; E224-R227 PolarHBondContact OE2-NH1 2.9Å; E224-V230 WeakPolarHBondContact O-CG2 3.24Å
225L62.7Low60.8Low79 Ų7962 Ų6241%0.41431%0.31SS..Hα-helixtrans-63.8-39.7170.2-75.1164.9000111.5F183 R221 F222 V230F183-L225 HydrophobicContact CE1-CD2 4.41Å; F183-L225 HydrophobicContact CE1-CG 4.28Å; F183-L225 HydrophobicContact CZ-CG 4.11Å; R221-L225 WeakPolarHBondContact O-CB 3.09Å; R221-L225 WeakPolarHBondContact O-CD1 3.35Å; R221-L225 VanDerWaalsContact O-CG 3.25Å; R221-L225 WeakPolarHBondContact O-CG 3.26Å; R221-L225 PolarHBondContact O-N 2.97Å; F222-L225 PolarHBondContact O-N 2.8Å; L225-V230 HydrophobicContact CD2-CG2 4Å
226H64.7Low59.1Low68 Ų6864.6 Ų64.632%0.31532%0.321SS..Hα-helixtrans-81.5-24-178.5-84.8-74.8000114.6F222 E223 E224 G228 L265F222-H226 AromaticContact CD1-CD2 3.94Å; F222-H226 AromaticContact CD2-CD2 3.53Å; F222-H226 AromaticContact CD2-NE2 3.73Å; F222-H226 AromaticContact CE1-CD2 3.61Å; F222-H226 AromaticContact CE2-CD2 3.19Å; F222-H226 WeakPolarHBondContact CE2-CD2 3.41Å; F222-H226 AromaticContact CE2-NE2 3.02Å; F222-H226 WeakPolarHBondContact CE2-NE2 3.41Å; F222-H226 AromaticContact CG-CD2 3.9Å; F222-H226 AromaticContact CZ-CD2 3.21Å; F222-H226 WeakPolarHBondContact CZ-CD2 3.34Å; F222-H226 AromaticContact CZ-NE2 3.27Å; F222-H226 VanDerWaalsContact CZ-NE2 3.27Å; F222-H226 WeakPolarHBondContact CZ-NE2 3.46Å; F222-H226 PolarHBondContact O-CD2 3.23Å; F222-H226 PolarHBondContact O-N 3.38Å; E223-H226 PolarHBondContact O-N 3.29Å; E224-H226 VanDerWaalsContact C-N 3.34Å; H226-G228 PolarHBondContact O-N 2.91Å; H226-G228 VanDerWaalsContact O-N 3.13Å; H226-L265 HydrophobicContact CB-CD2 3.51Å
227R63Low57.4Low119 Ų11973.2 Ų73.245%0.44936%0.358SS..THydrogen-bonded Turntrans-70-0.1174.1-77.9179.2-175.5145.29114E223 E224 H229 L265E223-R227 WeakPolarHBondContact O-CB 3.28Å; E223-R227 WeakPolarHBondContact O-CG 3.43Å; E223-R227 PolarHBondContact O-N 2.85Å; E223-R227 IonicContact OE2-CZ 3.52Å; E223-R227 IonicContact OE2-NH1 3.65Å; E223-R227 IonicContact OE2-NH2 2.86Å; E223-R227 PolarHBondContact OE2-NH2 3.47Å; E224-R227 IonicContact OE1-NH1 3.84Å; E224-R227 WeakPolarHBondContact OE2-CD 3.15Å; E224-R227 IonicContact OE2-CZ 3.67Å; E224-R227 IonicContact OE2-NE 3.97Å; E224-R227 IonicContact OE2-NH1 2.82Å; E224-R227 PolarHBondContact OE2-NH1 2.9Å; R227-H229 PolarHBondContact O-N 3.43Å; R227-H229 PolarHBondContact O-ND1 3.15Å; R227-L265 HydrophobicContact CG-CD1 4.5Å
228G50.9Low55.4Low66 Ų6677.6 Ų77.668%0.6838%0.377SS*.THydrogen-bonded Turntrans64.67.7177.900000114.4H226H226-G228 PolarHBondContact O-N 2.91Å; H226-G228 VanDerWaalsContact O-N 3.13Å
229H46.7Very low53.8Low161 Ų16177.9 Ų77.975%0.74538%0.38SS*.  trans-94.48.1-176.6-85.362.9000113.2R227 E231R227-H229 PolarHBondContact O-N 3.43Å; R227-H229 PolarHBondContact O-ND1 3.15Å; H229-E231 VanDerWaalsContact C-N 3.28Å; H229-E231 PolarHBondContact O-N 3.37Å
230V43.9Very low51.9Low31 Ų3181.7 Ų81.719%0.18842%0.421CS..  trans-70.995.3170.8-1710000107.8E224 L225 H232 I235E224-V230 WeakPolarHBondContact O-CG2 3.24Å; L225-V230 HydrophobicContact CD2-CG2 4Å; V230-H232 PolarHBondContact O-N 3.35Å; V230-I235 HydrophobicContact CB-CD1 4.28Å; V230-I235 HydrophobicContact CG1-CD1 3.44Å; V230-I235 VanDerWaalsContact CG1-CD1 3.44Å; V230-I235 HydrophobicContact CG1-CG1 3.47Å; V230-I235 VanDerWaalsContact CG1-CG1 3.47Å
231E44.4Very low50.1Low123 Ų12384.6 Ų84.658%0.57544%0.437SS*.  trans-46.1118.9165.5-72.8-166.4164.400106.9H229 N233 L234H229-E231 VanDerWaalsContact C-N 3.28Å; H229-E231 PolarHBondContact O-N 3.37Å; E231-N233 HydrophobicContact CB-CB 4.36Å; E231-N233 CarbonylContact O-C 3.48Å; E231-N233 PolarHBondContact O-N 3.35Å; E231-L234 HydrophobicContact CB-CD1 4.33Å; E231-L234 PolarHBondContact O-N 3.41Å
232H44.9Very low48.5Very low113 Ų11386.5 Ų86.552%0.52345%0.454SS..Hα-helixtrans-44.6-25.8174.2-106.3-83.8000112.3V230 K236V230-H232 PolarHBondContact O-N 3.35Å; H232-K236 VanDerWaalsContact O-CB 3.31Å; H232-K236 WeakPolarHBondContact O-CB 3.42Å; H232-K236 WeakPolarHBondContact O-CD 3.48Å; H232-K236 WeakPolarHBondContact O-CG 3.44Å; H232-K236 PolarHBondContact O-N 2.77Å; H232-K236 VanDerWaalsContact O-N 3.13Å
233N44.5Very low47.6Very low102 Ų10289 Ų8955%0.54547%0.47SS..Hα-helixtrans-66.6-35.5176.2-63.4-22.9000114E231 K236 K237E231-N233 HydrophobicContact CB-CB 4.36Å; E231-N233 CarbonylContact O-C 3.48Å; E231-N233 PolarHBondContact O-N 3.35Å; N233-K236 PolarHBondContact O-N 3.05Å; N233-K237 VanDerWaalsContact O-CB 3.3Å; N233-K237 WeakPolarHBondContact O-CB 3.43Å; N233-K237 PolarHBondContact O-N 3.35Å
234L42.2Very low46.5Very low87 Ų8794 Ų9446%0.45549%0.494SS..Hα-helixtrans-72.2-39.6-180-81.3160000112.4E231 K238E231-L234 HydrophobicContact CB-CD1 4.33Å; E231-L234 PolarHBondContact O-N 3.41Å; L234-K238 PolarHBondContact O-N 3.34Å
235I41.2Very low45.2Very low39 Ų3993.9 Ų93.920%0.250%0.496CS..Hα-helixtrans-66.6-43.3172.3-63.1170.2000110V230 K237 I239 I246V230-I235 HydrophobicContact CB-CD1 4.28Å; V230-I235 HydrophobicContact CG1-CD1 3.44Å; V230-I235 VanDerWaalsContact CG1-CD1 3.44Å; V230-I235 HydrophobicContact CG1-CG1 3.47Å; V230-I235 VanDerWaalsContact CG1-CG1 3.47Å; I235-K237 VanDerWaalsContact C-N 3.32Å; I235-K237 PolarHBondContact O-N 2.88Å; I235-I239 HydrophobicContact CG2-CD1 4.32Å; I235-I239 PolarHBondContact O-N 2.86Å; I235-I246 HydrophobicContact CG2-CG2 3.88Å
236K38.4Very low44.3Very low107 Ų10790.6 Ų90.647%0.46548%0.479SS..Hα-helixtrans-62.5-33.3177.5-80.8174.8178.2178.10113.7H232 N233 I246H232-K236 VanDerWaalsContact O-CB 3.31Å; H232-K236 WeakPolarHBondContact O-CB 3.42Å; H232-K236 WeakPolarHBondContact O-CD 3.48Å; H232-K236 WeakPolarHBondContact O-CG 3.44Å; H232-K236 PolarHBondContact O-N 2.77Å; H232-K236 VanDerWaalsContact O-N 3.13Å; N233-K236 PolarHBondContact O-N 3.05Å; K236-I246 HydrophobicContact CG-CD1 4.47Å
237K42.9Very low43.6Very low192 Ų19292.1 Ų92.184%0.83549%0.489SS*.Hα-helixtrans-83.6-19.9-174.6-142.9173.6-172.2178.90113.6N233 I235N233-K237 VanDerWaalsContact O-CB 3.3Å; N233-K237 WeakPolarHBondContact O-CB 3.43Å; N233-K237 PolarHBondContact O-N 3.35Å; I235-K237 VanDerWaalsContact C-N 3.32Å; I235-K237 PolarHBondContact O-N 2.88Å
238K38.5Very low43Very low101 Ų10193.6 Ų93.644%0.43950%0.495SS..Hα-helixtrans-114.6-11.8-169.8-123.4178.1171-130.80115.4F183 L234F183-K238 VanDerWaalsContact C-NZ 3.33Å; F183-K238 WeakPolarHBondContact O-CD 3.35Å; F183-K238 WeakPolarHBondContact O-CE 3.46Å; F183-K238 PolarHBondContact O-NZ 3.35Å; L234-K238 PolarHBondContact O-N 3.34Å
239I38Very low42.6Very low61 Ų6194.2 Ų94.231%0.31348%0.482SS..  trans-128.897.7-178.9-56.9178.9000105.3I235 L241I235-I239 HydrophobicContact CG2-CD1 4.32Å; I235-I239 PolarHBondContact O-N 2.86Å; I239-L241 HydrophobicContact CG2-CB 3.78Å; I239-L241 HydrophobicContact CG2-CD1 3.15Å; I239-L241 HydrophobicContact CG2-CG 3.29Å; I239-L241 PolarHBondContact O-N 3.49Å
240G29.9Very low42.8Very low90 Ų9088.8 Ų88.893%0.92846%0.46SS*.  trans-67.541.217800000113.6
241L37.1Very low43Very low75 Ų7588.3 Ų88.339%0.39346%0.461SS..  trans-92.1142.2179.3-70.1175.4000109.8I239 V245 I246 L249I239-L241 HydrophobicContact CG2-CB 3.78Å; I239-L241 HydrophobicContact CG2-CD1 3.15Å; I239-L241 HydrophobicContact CG2-CG 3.29Å; I239-L241 PolarHBondContact O-N 3.49Å; L241-V245 HydrophobicContact CB-CB 4.18Å; L241-V245 HydrophobicContact CB-CG1 4.23Å; L241-V245 HydrophobicContact CD1-CG1 3.85Å; L241-V245 HydrophobicContact CD2-CG1 4.28Å; L241-V245 HydrophobicContact CG-CG1 4.35Å; L241-I246 HydrophobicContact CB-CG1 4.22Å; L241-L249 HydrophobicContact CD1-CD1 4.42Å
242P39.6Very low43.2Very low83 Ų8390.5 Ų90.554%0.53947%0.465SS..  trans-52.2143.7172.8-24.432.5000111.8E244 V245 I246P242-E244 PolarHBondContact O-N 2.98Å; P242-V245 HydrophobicContact CB-CG2 4.28Å; P242-V245 HydrophobicContact CG-CG2 4.31Å; P242-V245 WeakPolarHBondContact O-CA 3.5Å; P242-V245 WeakPolarHBondContact O-CB 3.25Å; P242-V245 PolarHBondContact O-N 3.36Å; P242-I246 PolarHBondContact O-N 3.18Å
243N47.4Very low43.2Very low100 Ų10088.3 Ų88.354%0.53546%0.456SS..Hα-helixtrans-49.9-34.5-179.2-81.4-33.7000113V245 I246 N247N243-V245 VanDerWaalsContact C-N 3.32Å; N243-V245 PolarHBondContact O-N 2.96Å; N243-I246 PolarHBondContact O-N 2.85Å; N243-N247 WeakPolarHBondContact O-CB 3.46Å; N243-N247 PolarHBondContact O-N 3.13Å; N243-N247 PolarHBondContact O-ND2 2.97Å
244E48.2Very low43.6Very low125 Ų12588.4 Ų88.458%0.58445%0.453SS*.Hα-helixtrans-62.2-36.6175.7-65.5-177.6-16600113.6P242 R248P242-E244 PolarHBondContact O-N 2.98Å; E244-R248 WeakPolarHBondContact O-CB 3.37Å; E244-R248 VanDerWaalsContact O-CG 3.23Å; E244-R248 WeakPolarHBondContact O-CG 3.47Å; E244-R248 PolarHBondContact O-N 3.43Å; E244-R248 IonicContact OE2-NH2 3.02Å; E244-R248 PolarHBondContact OE2-NH2 2.89Å
245V40.7Very low44.1Very low49 Ų4991.9 Ų91.930%0.29746%0.46SS..Hα-helixtrans-75.4-39.6-179.6-178.80000110L241 P242 N243 R248 L249L241-V245 HydrophobicContact CB-CB 4.18Å; L241-V245 HydrophobicContact CB-CG1 4.23Å; L241-V245 HydrophobicContact CD1-CG1 3.85Å; L241-V245 HydrophobicContact CD2-CG1 4.28Å; L241-V245 HydrophobicContact CG-CG1 4.35Å; P242-V245 HydrophobicContact CB-CG2 4.28Å; P242-V245 HydrophobicContact CG-CG2 4.31Å; P242-V245 WeakPolarHBondContact O-CA 3.5Å; P242-V245 WeakPolarHBondContact O-CB 3.25Å; P242-V245 PolarHBondContact O-N 3.36Å; N243-V245 VanDerWaalsContact C-N 3.32Å; N243-V245 PolarHBondContact O-N 2.96Å; V245-R248 PolarHBondContact O-N 3.43Å; V245-L249 HydrophobicContact CG1-CD1 3.96Å; V245-L249 WeakPolarHBondContact O-CB 3.47Å; V245-L249 PolarHBondContact O-N 2.83Å
246I42.7Very low44.2Very low11 Ų1197.4 Ų97.46%0.05649%0.485CS..Hα-helixtrans-60.2-49.8173.1-62.4175.5000109.8I235 K236 L241 P242 N243 R248 L249 V250I235-I246 HydrophobicContact CG2-CG2 3.88Å; K236-I246 HydrophobicContact CG-CD1 4.47Å; L241-I246 HydrophobicContact CB-CG1 4.22Å; P242-I246 PolarHBondContact O-N 3.18Å; N243-I246 PolarHBondContact O-N 2.85Å; I246-R248 VanDerWaalsContact C-N 3.33Å; I246-R248 PolarHBondContact O-N 3.47Å; I246-L249 PolarHBondContact O-N 3.2Å; I246-V250 HydrophobicContact CG2-CG2 4.34Å; I246-V250 WeakPolarHBondContact O-CB 3.4Å; I246-V250 VanDerWaalsContact O-CG2 3.31Å; I246-V250 WeakPolarHBondContact O-CG2 3.43Å; I246-V250 PolarHBondContact O-N 3.37Å
247N50.9Low44.6Very low99 Ų9993.9 Ų93.953%0.52947%0.472SS..Hα-helixtrans-63.4-37.2178.9-68.7-18.1000112.1N243 G251N243-N247 WeakPolarHBondContact O-CB 3.46Å; N243-N247 PolarHBondContact O-N 3.13Å; N243-N247 PolarHBondContact O-ND2 2.97Å; N247-G251 PolarHBondContact O-N 2.95Å
248R49.1Very low44.9Very low150 Ų15090.1 Ų90.157%0.56646%0.461SS*.Hα-helixtrans-66.9-39.6173.2-78.2179.9-134.1-170.65.1112.7E244 V245 I246 R252E244-R248 WeakPolarHBondContact O-CB 3.37Å; E244-R248 VanDerWaalsContact O-CG 3.23Å; E244-R248 WeakPolarHBondContact O-CG 3.47Å; E244-R248 PolarHBondContact O-N 3.43Å; E244-R248 IonicContact OE2-NH2 3.02Å; E244-R248 PolarHBondContact OE2-NH2 2.89Å; V245-R248 PolarHBondContact O-N 3.43Å; I246-R248 VanDerWaalsContact C-N 3.33Å; I246-R248 PolarHBondContact O-N 3.47Å; R248-R252 WeakPolarHBondContact O-CB 3.41Å; R248-R252 WeakPolarHBondContact O-CG 3.05Å; R248-R252 PolarHBondContact O-N 3.22Å
249L43.9Very low45.3Very low80 Ų8092.7 Ų92.742%0.41947%0.474SS..Hα-helixtrans-68.1-48.9178.1-111.6124.7000111.2L241 V245 I246 G251 R252 I253L241-L249 HydrophobicContact CD1-CD1 4.42Å; V245-L249 HydrophobicContact CG1-CD1 3.96Å; V245-L249 WeakPolarHBondContact O-CB 3.47Å; V245-L249 PolarHBondContact O-N 2.83Å; I246-L249 PolarHBondContact O-N 3.2Å; L249-G251 VanDerWaalsContact C-N 3.28Å; L249-G251 PolarHBondContact O-N 3.33Å; L249-R252 PolarHBondContact O-N 2.86Å; L249-R252 VanDerWaalsContact O-N 3.07Å; L249-I253 HydrophobicContact CD2-CD1 4.47Å; L249-I253 VanDerWaalsContact O-CG1 3.31Å; L249-I253 WeakPolarHBondContact O-CG1 3.33Å; L249-I253 PolarHBondContact O-N 2.95Å
250V49.8Very low45.6Very low47 Ų4798.7 Ų98.729%0.28550%0.498SS..Hα-helixtrans-57.5-44.6174.3173.10000110.2I246 R252 I253 H254I246-V250 HydrophobicContact CG2-CG2 4.34Å; I246-V250 WeakPolarHBondContact O-CB 3.4Å; I246-V250 VanDerWaalsContact O-CG2 3.31Å; I246-V250 WeakPolarHBondContact O-CG2 3.43Å; I246-V250 PolarHBondContact O-N 3.37Å; V250-R252 VanDerWaalsContact C-N 3.32Å; V250-R252 PolarHBondContact O-N 3.28Å; V250-I253 PolarHBondContact O-N 2.77Å; V250-H254 WeakPolarHBondContact O-CB 3.4Å; V250-H254 PolarHBondContact O-N 2.83Å; V250-H254 PolarHBondContact O-ND1 2.85Å
251G49.4Very low46.4Very low20 Ų2096.6 Ų96.621%0.20648%0.477CS..Hα-helixtrans-70.6-19.5176.800000115N247 L249 R255N247-G251 PolarHBondContact O-N 2.95Å; L249-G251 VanDerWaalsContact C-N 3.28Å; L249-G251 PolarHBondContact O-N 3.33Å; G251-R255 WeakPolarHBondContact O-CB 3.41Å; G251-R255 VanDerWaalsContact O-CG 3.23Å; G251-R255 WeakPolarHBondContact O-CG 3.39Å; G251-R255 PolarHBondContact O-N 2.64Å; G251-R255 PolarHBondContact O-NE 3.06Å
252R47.4Very low47.1Very low170 Ų17099.4 Ų99.464%0.64250%0.5SS*.Hα-helixtrans-82.7-41.1170.2-83.2-174.6-171.1170.42.2111.4R248 L249 V250 R255 Q256R248-R252 WeakPolarHBondContact O-CB 3.41Å; R248-R252 WeakPolarHBondContact O-CG 3.05Å; R248-R252 PolarHBondContact O-N 3.22Å; L249-R252 PolarHBondContact O-N 2.86Å; L249-R252 VanDerWaalsContact O-N 3.07Å; V250-R252 VanDerWaalsContact C-N 3.32Å; V250-R252 PolarHBondContact O-N 3.28Å; R252-R255 PolarHBondContact O-N 3.02Å; R252-Q256 WeakPolarHBondContact O-CB 3.41Å; R252-Q256 WeakPolarHBondContact O-CG 3.48Å; R252-Q256 PolarHBondContact O-N 3.44Å
253I46.5Very low47.6Very low67 Ų6798.7 Ų98.734%0.34449%0.491SS..Hα-helixtrans-59.7-51.3174.4-67.8165.9000108.8L249 V250 R255 Q256 T257L249-I253 HydrophobicContact CD2-CD1 4.47Å; L249-I253 VanDerWaalsContact O-CG1 3.31Å; L249-I253 WeakPolarHBondContact O-CG1 3.33Å; L249-I253 PolarHBondContact O-N 2.95Å; V250-I253 PolarHBondContact O-N 2.77Å; I253-R255 PolarHBondContact O-N 3.47Å; I253-Q256 PolarHBondContact O-N 3.31Å; I253-Q256 VanDerWaalsContact O-N 3.14Å; I253-T257 HydrophobicContact CG2-CG2 4.49Å; I253-T257 WeakPolarHBondContact O-CG2 3.39Å; I253-T257 PolarHBondContact O-N 3.41Å; I253-T257 PolarHBondContact O-OG1 2.93Å
254H52Low48.1Very low104 Ų10497.1 Ų97.148%0.48149%0.488SS..Hα-helixtrans-55.7-48.3174.6-80.269.8000111.7V250 Q256 T257 D258V250-H254 WeakPolarHBondContact O-CB 3.4Å; V250-H254 PolarHBondContact O-N 2.83Å; V250-H254 PolarHBondContact O-ND1 2.85Å; H254-Q256 VanDerWaalsContact C-N 3.34Å; H254-Q256 PolarHBondContact O-N 3Å; H254-T257 WeakPolarHBondContact CA-OG1 3.44Å; H254-T257 PolarHBondContact O-N 2.92Å; H254-T257 PolarHBondContact O-OG1 3.14Å; H254-D258 WeakPolarHBondContact O-CB 3.42Å; H254-D258 PolarHBondContact O-N 3.07Å
255R52Low48.5Very low160 Ų16094.2 Ų94.260%0.60448%0.476SS*.Hα-helixtrans-62.5-36.3177.4-81.9-176.6-96.1-153.6-8113.9G251 R252 I253 H259G251-R255 WeakPolarHBondContact O-CB 3.41Å; G251-R255 VanDerWaalsContact O-CG 3.23Å; G251-R255 WeakPolarHBondContact O-CG 3.39Å; G251-R255 PolarHBondContact O-N 2.64Å; G251-R255 PolarHBondContact O-NE 3.06Å; R252-R255 PolarHBondContact O-N 3.02Å; I253-R255 PolarHBondContact O-N 3.47Å; R255-H259 PolarHBondContact O-CD2 2.96Å
256Q44.8Very low49.5Very low155 Ų15596.9 Ų96.972%0.72449%0.488SS*.Hα-helixtrans-75.5-28178.4-75.1-180-39.900112.3R252 I253 H254R252-Q256 WeakPolarHBondContact O-CB 3.41Å; R252-Q256 WeakPolarHBondContact O-CG 3.48Å; R252-Q256 PolarHBondContact O-N 3.44Å; I253-Q256 PolarHBondContact O-N 3.31Å; I253-Q256 VanDerWaalsContact O-N 3.14Å; H254-Q256 VanDerWaalsContact C-N 3.34Å; H254-Q256 PolarHBondContact O-N 3Å
257T46Very low50Low32 Ų32101.5 Ų101.520%0.19651%0.513CS..Hα-helixtrans-88-25.9176.354.90000113.2I253 H254 H259I253-T257 HydrophobicContact CG2-CG2 4.49Å; I253-T257 WeakPolarHBondContact O-CG2 3.39Å; I253-T257 PolarHBondContact O-N 3.41Å; I253-T257 PolarHBondContact O-OG1 2.93Å; H254-T257 WeakPolarHBondContact CA-OG1 3.44Å; H254-T257 PolarHBondContact O-N 2.92Å; H254-T257 PolarHBondContact O-OG1 3.14Å; T257-H259 VanDerWaalsContact C-N 3.35Å; T257-H259 PolarHBondContact O-N 3.47Å
258D48.1Very low50.5Low113 Ų11399.6 Ų99.660%0.60450%0.5SS*.Hα-helixtrans-75.6-17.8-177.9-79.2-21.4000113.7H254 K260H254-D258 WeakPolarHBondContact O-CB 3.42Å; H254-D258 PolarHBondContact O-N 3.07Å; D258-K260 PolarHBondContact O-N 3.28Å
259H47.3Very low51.2Low155 Ų15595.8 Ų95.872%0.71849%0.49SS*.THydrogen-bonded Turntrans-86.23.1-175.1-70.2-40.6000115R255 T257R255-H259 PolarHBondContact O-CD2 2.96Å; T257-H259 VanDerWaalsContact C-N 3.35Å; T257-H259 PolarHBondContact O-N 3.47Å
260K44Very low51.8Low187 Ų18798.2 Ų98.281%0.81350%0.5SS*.THydrogen-bonded Turntrans-141.948177.9-70.6-168.8177-179.20114.1D258D258-K260 PolarHBondContact O-N 3.28Å
261G47.5Very low52Low47 Ų4797.9 Ų97.949%0.48550%0.502SS..SBendtrans58.8178.317600000113.7I263G261-I263 PolarHBondContact O-N 3.4Å
262P50.7Low52.9Low134 Ų13497.9 Ų97.987%0.8750%0.498SS*.  trans-66107.7175.626.2-30.8000109S264P262-S264 PolarHBondContact O-N 3.32Å; P262-S264 VanDerWaalsContact O-N 3.13Å
263I52.1Low54.1Low67 Ų6795.8 Ų95.834%0.34449%0.49SS..  trans-60118.4166.1-60.5175.3000105.9F222 G261 L265 L267F222-I263 HydrophobicContact CZ-CG2 4.19Å; G261-I263 PolarHBondContact O-N 3.4Å; I263-L265 PolarHBondContact O-N 2.93Å; I263-L265 VanDerWaalsContact O-N 3.15Å; I263-L267 HydrophobicContact CG2-CB 4.36Å; I263-L267 HydrophobicContact CG2-CD2 3.69Å
264S55.9Low55.2Low68 Ų6896.5 Ų96.548%0.47649%0.494SS..  trans-53.8124.2175.5178.40000108.7P262 N266 L267P262-S264 PolarHBondContact O-N 3.32Å; P262-S264 VanDerWaalsContact O-N 3.13Å; S264-N266 PolarHBondContact O-N 3.37Å; S264-N266 PolarHBondContact OG-N 3.48Å; S264-L267 WeakPolarHBondContact O-CB 3.38Å; S264-L267 PolarHBondContact O-N 2.96Å
265L57.4Low56.3Low63 Ų6392.3 Ų92.333%0.3348%0.476SS..G310 helixtrans-54.4-25.9172.8-79.2165.7000111.4H226 R227 I263 L267H226-L265 HydrophobicContact CB-CD2 3.51Å; R227-L265 HydrophobicContact CG-CD1 4.5Å; I263-L265 PolarHBondContact O-N 2.93Å; I263-L265 VanDerWaalsContact O-N 3.15Å; L265-L267 VanDerWaalsContact C-N 3.28Å; L265-L267 PolarHBondContact O-N 3.5Å
266N61.5Low57.9Low106 Ų10685.4 Ų85.457%0.56745%0.45SS*.G310 helixtrans-86.73.7-178.5-55.43.5000113S264 F268 D269S264-N266 PolarHBondContact O-N 3.37Å; S264-N266 PolarHBondContact OG-N 3.48Å; N266-F268 PolarHBondContact O-N 3.38Å; N266-F268 VanDerWaalsContact O-N 3.14Å; N266-D269 VanDerWaalsContact CA-CG 3.44Å; N266-D269 WeakPolarHBondContact CA-OD1 3.42Å; N266-D269 WeakPolarHBondContact CA-OD2 3.48Å; N266-D269 WeakPolarHBondContact CB-OD2 3.49Å; N266-D269 VanDerWaalsContact CG-OD2 3.3Å; N266-D269 PolarHBondContact O-N 3.2Å
267L52.7Low59.7Low108 Ų10881.9 Ų81.957%0.56544%0.436SS*.G310 helixtrans-55.3-34-176.4177.964000112.1I263 S264 L265I263-L267 HydrophobicContact CG2-CB 4.36Å; I263-L267 HydrophobicContact CG2-CD2 3.69Å; S264-L267 WeakPolarHBondContact O-CB 3.38Å; S264-L267 PolarHBondContact O-N 2.96Å; L265-L267 VanDerWaalsContact C-N 3.28Å; L265-L267 PolarHBondContact O-N 3.5Å
268F62.7Low61.5Low58 Ų5885.2 Ų85.225%0.25445%0.45SS..G310 helixtrans-104.9-0.9-176.1-57.4-69.4000113.5F215 I219 F222 N266 E270 A271 V272F215-F268 HydrophobicContact CZ-CD1 4.45Å; I219-F268 HydrophobicContact CD1-CB 4.07Å; I219-F268 HydrophobicContact CD1-CD1 3.95Å; I219-F268 HydrophobicContact CD1-CD2 3.75Å; I219-F268 HydrophobicContact CD1-CE1 4.32Å; I219-F268 HydrophobicContact CD1-CE2 4.14Å; I219-F268 HydrophobicContact CD1-CG 3.64Å; I219-F268 HydrophobicContact CD1-CZ 4.41Å; I219-F268 HydrophobicContact CG1-CB 4.26Å; I219-F268 HydrophobicContact CG1-CG 4.37Å; I219-F268 HydrophobicContact CG2-CB 3.8Å; I219-F268 HydrophobicContact CG2-CD2 4.34Å; I219-F268 HydrophobicContact CG2-CG 4.34Å; F222-F268 HydrophobicContact CD1-CD2 4.25Å; F222-F268 HydrophobicContact CD1-CE2 4.16Å; F222-F268 HydrophobicContact CE1-CD2 4.19Å; F222-F268 AromaticContact CE1-CE2 3.89Å; F222-F268 HydrophobicContact CE1-CE2 3.89Å; F222-F268 HydrophobicContact CZ-CE2 4.25Å; N266-F268 PolarHBondContact O-N 3.38Å; N266-F268 VanDerWaalsContact O-N 3.14Å; F268-E270 VanDerWaalsContact C-N 3.25Å; F268-E270 PolarHBondContact O-N 3.03Å; F268-E270 VanDerWaalsContact O-N 3.17Å; F268-A271 PolarHBondContact O-N 3.45Å; F268-V272 HydrophobicContact CB-CG2 4.13Å; F268-V272 WeakPolarHBondContact O-CB 3.24Å; F268-V272 VanDerWaalsContact O-CG2 3.26Å; F268-V272 WeakPolarHBondContact O-CG2 3.27Å; F268-V272 PolarHBondContact O-N 3.23Å
269D64.4Low63.5Low70 Ų7079.8 Ų79.837%0.37442%0.421SS..Hα-helixtrans-53.8-43.1-173.4-770.6000112.2N266 R273N266-D269 VanDerWaalsContact CA-CG 3.44Å; N266-D269 WeakPolarHBondContact CA-OD1 3.42Å; N266-D269 WeakPolarHBondContact CA-OD2 3.48Å; N266-D269 WeakPolarHBondContact CB-OD2 3.49Å; N266-D269 VanDerWaalsContact CG-OD2 3.3Å; N266-D269 PolarHBondContact O-N 3.2Å; D269-R273 WeakPolarHBondContact O-CB 3.5Å; D269-R273 PolarHBondContact O-N 3.37Å
270E55.4Low65.6Low132 Ų13273 Ų7362%0.61739%0.389SS*.Hα-helixtrans-67.3-46.1179-176169.6-161.100112F268 R273 L274F268-E270 VanDerWaalsContact C-N 3.25Å; F268-E270 PolarHBondContact O-N 3.03Å; F268-E270 VanDerWaalsContact O-N 3.17Å; E270-R273 PolarHBondContact O-N 3.43Å; E270-L274 HydrophobicContact CG-CD1 4.15Å; E270-L274 VanDerWaalsContact O-CG 3.32Å; E270-L274 WeakPolarHBondContact O-CG 3.04Å; E270-L274 PolarHBondContact O-N 3.09Å
271A54.9Low67.9Low40 Ų4065.5 Ų65.533%0.33136%0.36SS..Hα-helixtrans-64.7-42.8178.900000111.8F215 F268 R273 L274 T275F215-A271 HydrophobicContact CE1-CB 4.15Å; F215-A271 HydrophobicContact CZ-CB 4.26Å; F268-A271 PolarHBondContact O-N 3.45Å; A271-R273 VanDerWaalsContact C-N 3.35Å; A271-L274 PolarHBondContact O-N 2.99Å; A271-T275 WeakPolarHBondContact O-CB 3.3Å; A271-T275 VanDerWaalsContact O-CG2 3.32Å; A271-T275 WeakPolarHBondContact O-CG2 3.15Å; A271-T275 PolarHBondContact O-N 3.28Å; A271-T275 PolarHBondContact O-OG1 3.48Å
272V67.8Low70Confident19 Ų1963.2 Ų63.212%0.11534%0.337CS..Hα-helixtrans-60.3-45.1174170.30000110.5H216 I219 F268 T275 F276H216-V272 WeakPolarHBondContact CE1-CG1 3.3Å; I219-V272 HydrophobicContact CB-CG2 3.77Å; I219-V272 HydrophobicContact CG1-CG2 4Å; I219-V272 HydrophobicContact CG2-CG2 3.41Å; I219-V272 VanDerWaalsContact CG2-CG2 3.41Å; F268-V272 HydrophobicContact CB-CG2 4.13Å; F268-V272 WeakPolarHBondContact O-CB 3.24Å; F268-V272 VanDerWaalsContact O-CG2 3.26Å; F268-V272 WeakPolarHBondContact O-CG2 3.27Å; F268-V272 PolarHBondContact O-N 3.23Å; V272-T275 WeakPolarHBondContact CA-OG1 3.19Å; V272-T275 PolarHBondContact O-OG1 3.03Å; V272-T275 VanDerWaalsContact O-OG1 3.1Å; V272-F276 WeakPolarHBondContact O-CB 3.44Å; V272-F276 PolarHBondContact O-N 3.49Å
273R73.1Confident72.1Confident127 Ų12756.9 Ų56.948%0.47930%0.295SS..Hα-helixtrans-62.8-44.1177.6-176.3-170.165.676.83.2111.7D269 E270 A271 N277D269-R273 WeakPolarHBondContact O-CB 3.5Å; D269-R273 PolarHBondContact O-N 3.37Å; E270-R273 PolarHBondContact O-N 3.43Å; A271-R273 VanDerWaalsContact C-N 3.35Å; R273-N277 WeakPolarHBondContact O-CB 3.45Å; R273-N277 PolarHBondContact O-N 2.98Å; R273-N277 VanDerWaalsContact O-N 3.08Å; R273-N277 PolarHBondContact O-ND2 3.45Å; R273-N277 VanDerWaalsContact O-ND2 3.08Å
274L69.6Low74Confident81 Ų8153.9 Ų53.942%0.42428%0.281SS..Hα-helixtrans-65.7-54.9179.6-71.9172.6000111.3E270 A271 F276 N277 E278E270-L274 HydrophobicContact CG-CD1 4.15Å; E270-L274 VanDerWaalsContact O-CG 3.32Å; E270-L274 WeakPolarHBondContact O-CG 3.04Å; E270-L274 PolarHBondContact O-N 3.09Å; A271-L274 PolarHBondContact O-N 2.99Å; L274-F276 VanDerWaalsContact C-N 3.3Å; L274-F276 PolarHBondContact O-N 3.33Å; L274-N277 PolarHBondContact O-N 2.92Å; L274-N277 VanDerWaalsContact O-N 3.09Å; L274-E278 PolarHBondContact O-N 3.49Å
275T75.4Confident75.6Confident16 Ų1650.6 Ų50.610%0.09826%0.258CS..Hα-helixtrans-57.8-42.7178.352.10000111.8D212 F215 A271 V272 N277 E278 I279D212-T275 HydrophobicContact CB-CG2 3.93Å; F215-T275 HydrophobicContact CD1-CG2 4.12Å; F215-T275 HydrophobicContact CE1-CG2 4.42Å; A271-T275 WeakPolarHBondContact O-CB 3.3Å; A271-T275 VanDerWaalsContact O-CG2 3.32Å; A271-T275 WeakPolarHBondContact O-CG2 3.15Å; A271-T275 PolarHBondContact O-N 3.28Å; A271-T275 PolarHBondContact O-OG1 3.48Å; V272-T275 WeakPolarHBondContact CA-OG1 3.19Å; V272-T275 PolarHBondContact O-OG1 3.03Å; V272-T275 VanDerWaalsContact O-OG1 3.1Å; T275-N277 VanDerWaalsContact C-N 3.35Å; T275-N277 PolarHBondContact O-N 3.48Å; T275-E278 PolarHBondContact O-N 3.29Å; T275-E278 VanDerWaalsContact O-N 3.16Å; T275-I279 WeakPolarHBondContact O-CD1 3.16Å; T275-I279 WeakPolarHBondContact O-CG1 2.85Å; T275-I279 PolarHBondContact O-N 3.03Å
276F84.2Confident77.1Confident15 Ų1547.7 Ų47.77%0.06624%0.243CC..Hα-helixtrans-62.3-41.7176.9-173.4-96000112.4K171 L174 T175 L178 H216 V272 L274 E278 I279 L280K171-F276 HydrophobicContact CG-CE1 3.95Å; K171-F276 HydrophobicContact CG-CZ 4.14Å; L174-F276 HydrophobicContact CB-CE2 4.46Å; L174-F276 HydrophobicContact CD2-CD2 4.48Å; L174-F276 HydrophobicContact CD2-CE2 3.79Å; L174-F276 HydrophobicContact CD2-CZ 4.17Å; L174-F276 HydrophobicContact CG-CE2 3.98Å; L174-F276 HydrophobicContact CG-CZ 4.46Å; T175-F276 WeakPolarHBondContact OG1-CZ 3.35Å; L178-F276 HydrophobicContact CD1-CD2 4.04Å; L178-F276 HydrophobicContact CD1-CE2 3.85Å; H216-F276 AromaticContact CE1-CD2 3.53Å; H216-F276 AromaticContact CE1-CG 3.92Å; H216-F276 AromaticContact NE2-CD2 3.78Å; V272-F276 WeakPolarHBondContact O-CB 3.44Å; V272-F276 PolarHBondContact O-N 3.49Å; L274-F276 VanDerWaalsContact C-N 3.3Å; L274-F276 PolarHBondContact O-N 3.33Å; F276-E278 PolarHBondContact O-N 2.56Å; F276-I279 PolarHBondContact O-N 3.4Å; F276-L280 HydrophobicContact CE1-CB 4.35Å; F276-L280 HydrophobicContact CE1-CD1 4.34Å; F276-L280 HydrophobicContact CE1-CD2 3.97Å; F276-L280 HydrophobicContact CE1-CG 4.44Å; F276-L280 HydrophobicContact CZ-CD1 4.22Å; F276-L280 WeakPolarHBondContact O-CB 3.42Å; F276-L280 PolarHBondContact O-N 3.03Å
277N83.5Confident78.4Confident82 Ų8244.2 Ų44.244%0.43922%0.222SC..Hα-helixtrans-66.7-26.8177.2-73.7-25.1000112.8R273 L274 T275 P281R273-N277 WeakPolarHBondContact O-CB 3.45Å; R273-N277 PolarHBondContact O-N 2.98Å; R273-N277 VanDerWaalsContact O-N 3.08Å; R273-N277 PolarHBondContact O-ND2 3.45Å; R273-N277 VanDerWaalsContact O-ND2 3.08Å; L274-N277 PolarHBondContact O-N 2.92Å; L274-N277 VanDerWaalsContact O-N 3.09Å; T275-N277 VanDerWaalsContact C-N 3.35Å; T275-N277 PolarHBondContact O-N 3.48Å; N277-P281 WeakPolarHBondContact O-CD 3.47Å
278E83.7Confident79.9Confident101 Ų10141.7 Ų41.747%0.47221%0.207SC..Hα-helixtrans-78-38173.6-69.2-172.917200112.6I209 L274 T275 F276 F282I209-E278 HydrophobicContact CD1-CB 3.9Å; L274-E278 PolarHBondContact O-N 3.49Å; T275-E278 PolarHBondContact O-N 3.29Å; T275-E278 VanDerWaalsContact O-N 3.16Å; F276-E278 PolarHBondContact O-N 2.56Å; E278-F282 WeakPolarHBondContact O-CD2 3.22Å
279I88.8Confident80.7Confident0 Ų039.1 Ų39.10%020%0.196CC..Hα-helixtrans-73.5-38.7179.6-65.2159000111.5L174 F193 L197 I209 D212 F213 T275 F276 F282 W283L174-I279 HydrophobicContact CD2-CG2 4.17Å; F193-I279 HydrophobicContact CE1-CG2 3.7Å; F193-I279 HydrophobicContact CZ-CG2 3.67Å; L197-I279 HydrophobicContact CD1-CG2 4.45Å; I209-I279 HydrophobicContact CD1-CG1 3.72Å; I209-I279 HydrophobicContact CG1-CG1 4.22Å; D212-I279 HydrophobicContact CB-CD1 4.28Å; F213-I279 HydrophobicContact CB-CD1 4.03Å; F213-I279 HydrophobicContact CD2-CG2 4.2Å; T275-I279 WeakPolarHBondContact O-CD1 3.16Å; T275-I279 WeakPolarHBondContact O-CG1 2.85Å; T275-I279 PolarHBondContact O-N 3.03Å; F276-I279 PolarHBondContact O-N 3.4Å; I279-F282 WeakPolarHBondContact O-CA 3.37Å; I279-F282 WeakPolarHBondContact O-CB 3.41Å; I279-F282 PolarHBondContact O-N 3.16Å; I279-W283 PolarHBondContact O-N 3.08Å; I279-W283 VanDerWaalsContact O-N 3.11Å
280L92.5Very high81.3Confident11 Ų1138.4 Ų38.46%0.05819%0.191CC..Hα-helixtrans-58.4-40.4-170.2-179.267000114P166 D170 K171 L174 F276 F282 W283 A284P166-L280 HydrophobicContact CB-CD1 4.11Å; P166-L280 HydrophobicContact CB-CD2 3.78Å; P166-L280 HydrophobicContact CB-CG 3.52Å; P166-L280 HydrophobicContact CG-CD2 3.66Å; P166-L280 HydrophobicContact CG-CG 3.73Å; D170-L280 HydrophobicContact CB-CD1 4.41Å; K171-L280 HydrophobicContact CB-CD1 4.32Å; K171-L280 HydrophobicContact CB-CD2 4.17Å; K171-L280 HydrophobicContact CG-CD2 4.49Å; L174-L280 HydrophobicContact CB-CD1 4.45Å; L174-L280 HydrophobicContact CD2-CD1 3.91Å; F276-L280 HydrophobicContact CE1-CB 4.35Å; F276-L280 HydrophobicContact CE1-CD1 4.34Å; F276-L280 HydrophobicContact CE1-CD2 3.97Å; F276-L280 HydrophobicContact CE1-CG 4.44Å; F276-L280 HydrophobicContact CZ-CD1 4.22Å; F276-L280 WeakPolarHBondContact O-CB 3.42Å; F276-L280 PolarHBondContact O-N 3.03Å; L280-F282 VanDerWaalsContact C-N 3.31Å; L280-F282 PolarHBondContact O-N 2.99Å; L280-W283 WeakPolarHBondContact O-CB 3.44Å; L280-W283 PolarHBondContact O-N 3.32Å; L280-W283 VanDerWaalsContact O-N 3.14Å; L280-A284 PolarHBondContact O-N 3.46Å; L280-A284 VanDerWaalsContact O-N 3.08Å
281P92.5Very high82.3Confident30 Ų3033 Ų3320%0.19517%0.167CC..Hα-helixtrans-60.7-34.1172.4-27.335.8000114.5K163 M164 N277 G285K163-P281 WeakPolarHBondContact CA-O 3.48Å; K163-P281 HydrophobicContact CB-CB 4.02Å; K163-P281 HydrophobicContact CG-CB 4.21Å; M164-P281 PolarHBondContact N-O 3.4Å; M164-P281 VanDerWaalsContact O-CA 3.25Å; M164-P281 WeakPolarHBondContact O-CA 3.12Å; M164-P281 WeakPolarHBondContact O-CB 3.39Å; N277-P281 WeakPolarHBondContact O-CD 3.47Å; P281-G285 PolarHBondContact O-N 3.4Å; P281-G285 VanDerWaalsContact O-N 3.1Å
282F92Very high82.8Confident0 Ų034.9 Ų34.90%018%0.177CC..Hα-helixtrans-69-37173.4-72-91.8000111.2I162 K163 F193 Y196 L197 E204 C206 I209 E278 I279 L280 G285 F286I162-F282 HydrophobicContact CG2-CD1 3.82Å; I162-F282 HydrophobicContact CG2-CE1 3.7Å; K163-F282 HydrophobicContact CD-CE2 4.18Å; K163-F282 HydrophobicContact CD-CZ 4.28Å; K163-F282 HydrophobicContact CG-CD1 4.28Å; K163-F282 HydrophobicContact CG-CD2 4.19Å; K163-F282 HydrophobicContact CG-CE1 4.22Å; K163-F282 HydrophobicContact CG-CE2 4.15Å; K163-F282 HydrophobicContact CG-CG 4.28Å; K163-F282 HydrophobicContact CG-CZ 4.16Å; F193-F282 HydrophobicContact CE2-CB 4.05Å; F193-F282 HydrophobicContact CZ-CB 4.26Å; Y196-F282 HydrophobicContact CE1-CB 4.43Å; Y196-F282 HydrophobicContact CE1-CD1 4.26Å; L197-F282 HydrophobicContact CD2-CB 3.5Å; L197-F282 HydrophobicContact CD2-CD1 4.03Å; L197-F282 HydrophobicContact CD2-CD2 4.18Å; L197-F282 HydrophobicContact CD2-CG 3.68Å; E204-F282 HydrophobicContact CB-CE1 4.23Å; E204-F282 HydrophobicContact CB-CZ 3.93Å; E204-F282 HydrophobicContact CG-CE1 4.15Å; E204-F282 HydrophobicContact CG-CZ 4.29Å; C206-F282 HydrophobicContact CB-CE2 4.41Å; C206-F282 HydrophobicContact CB-CZ 4.17Å; I209-F282 HydrophobicContact CB-CE2 4.45Å; I209-F282 HydrophobicContact CD1-CD2 4.31Å; I209-F282 HydrophobicContact CD1-CE2 4.05Å; I209-F282 HydrophobicContact CG1-CD2 3.93Å; I209-F282 HydrophobicContact CG1-CE2 3.71Å; I209-F282 HydrophobicContact CG1-CZ 4.35Å; I209-F282 HydrophobicContact CG2-CZ 4.38Å; E278-F282 WeakPolarHBondContact O-CD2 3.22Å; I279-F282 WeakPolarHBondContact O-CA 3.37Å; I279-F282 WeakPolarHBondContact O-CB 3.41Å; I279-F282 PolarHBondContact O-N 3.16Å; L280-F282 VanDerWaalsContact C-N 3.31Å; L280-F282 PolarHBondContact O-N 2.99Å; F282-G285 PolarHBondContact O-N 3.18Å; F282-F286 WeakPolarHBondContact O-CB 3.28Å; F282-F286 PolarHBondContact O-N 3.24Å
283W93.7Very high82.3Confident0 Ų038.8 Ų38.80%019%0.192CC..Hα-helixtrans-61.5-45.6175.6174.6-110.9000111.9D170 E173 L174 L177 K189 F193 I279 L280 G285 F286 K287D170-W283 PolarHBondContact O-NE1 2.86Å; E173-W283 HydrophobicContact CG-CZ2 4Å; L174-W283 HydrophobicContact CB-CD2 4.32Å; L174-W283 HydrophobicContact CB-CG 4.07Å; L174-W283 HydrophobicContact CD1-CD2 3.95Å; L174-W283 HydrophobicContact CD1-CE3 4.04Å; L174-W283 HydrophobicContact CD1-CG 4.15Å; L174-W283 HydrophobicContact CD2-CB 3.85Å; L174-W283 HydrophobicContact CD2-CG 4.02Å; L174-W283 HydrophobicContact CG-CG 4.29Å; L177-W283 HydrophobicContact CD1-CH2 3.42Å; L177-W283 VanDerWaalsContact CD1-CH2 3.42Å; L177-W283 HydrophobicContact CD1-CZ2 3.64Å; L177-W283 HydrophobicContact CD1-CZ3 4.34Å; K189-W283 HydrophobicContact CD-CH2 3.95Å; K189-W283 HydrophobicContact CG-CH2 4Å; F193-W283 HydrophobicContact CB-CE3 4.12Å; F193-W283 HydrophobicContact CB-CZ3 3.86Å; F193-W283 AromaticContact CD1-CE3 3.72Å; F193-W283 HydrophobicContact CD1-CE3 3.72Å; F193-W283 HydrophobicContact CD1-CZ3 4.11Å; F193-W283 AromaticContact CD2-CE3 3.7Å; F193-W283 HydrophobicContact CD2-CE3 3.7Å; F193-W283 HydrophobicContact CD2-CZ3 4.29Å; F193-W283 HydrophobicContact CE1-CB 4.37Å; F193-W283 AromaticContact CE1-CE3 3.99Å; F193-W283 HydrophobicContact CE1-CE3 3.99Å; F193-W283 VanDerWaalsContact CE2-CA 3.43Å; F193-W283 HydrophobicContact CE2-CB 3.98Å; F193-W283 AromaticContact CE2-CE3 4Å; F193-W283 HydrophobicContact CE2-CE3 4Å; F193-W283 AromaticContact CG-CE3 3.55Å; F193-W283 HydrophobicContact CG-CE3 3.55Å; F193-W283 AromaticContact CG-CZ3 3.82Å; F193-W283 HydrophobicContact CG-CZ3 3.82Å; F193-W283 HydrophobicContact CZ-CB 3.73Å; F193-W283 HydrophobicContact CZ-CE3 4.13Å; I279-W283 PolarHBondContact O-N 3.08Å; I279-W283 VanDerWaalsContact O-N 3.11Å; L280-W283 WeakPolarHBondContact O-CB 3.44Å; L280-W283 PolarHBondContact O-N 3.32Å; L280-W283 VanDerWaalsContact O-N 3.14Å; W283-G285 VanDerWaalsContact C-N 3.31Å; W283-G285 PolarHBondContact O-N 3.47Å; W283-F286 AromaticContact CE3-CD1 3.84Å; W283-F286 HydrophobicContact CE3-CD1 3.84Å; W283-F286 HydrophobicContact CE3-CE1 4.46Å; W283-F286 HydrophobicContact CH2-CD1 4.43Å; W283-F286 HydrophobicContact CH2-CE1 4.43Å; W283-F286 AromaticContact CZ3-CD1 3.68Å; W283-F286 HydrophobicContact CZ3-CD1 3.68Å; W283-F286 AromaticContact CZ3-CE1 3.85Å; W283-F286 HydrophobicContact CZ3-CE1 3.85Å; W283-F286 WeakPolarHBondContact O-CB 3.32Å; W283-F286 PolarHBondContact O-N 3.41Å; W283-K287 HydrophobicContact CD2-CD 4.46Å; W283-K287 HydrophobicContact CD2-CG 4.38Å; W283-K287 HydrophobicContact CZ2-CD 3.92Å; W283-K287 HydrophobicContact CZ2-CG 4.06Å; W283-K287 PolarHBondContact O-N 2.92Å
284A91.7Very high81Confident4 Ų435.4 Ų35.43%0.03319%0.188CC..Hα-helixtrans-60.6-41.3175.100000111.9M164 P166 L280 K288M164-A284 HydrophobicContact CB-CB 3.86Å; P166-A284 HydrophobicContact CB-CB 4.06Å; L280-A284 PolarHBondContact O-N 3.46Å; L280-A284 VanDerWaalsContact O-N 3.08Å; A284-K288 PolarHBondContact O-N 2.89Å; A284-K288 VanDerWaalsContact O-N 3.14Å
285G89.8Confident79.9Confident0 Ų035.4 Ų35.40%020%0.2CC..Hα-helixtrans-63.3-46.1173.900000112.7I162 P281 F282 W283 K287 K288 N289I162-G285 WeakPolarHBondContact O-CA 3.41Å; P281-G285 PolarHBondContact O-N 3.4Å; P281-G285 VanDerWaalsContact O-N 3.1Å; F282-G285 PolarHBondContact O-N 3.18Å; W283-G285 VanDerWaalsContact C-N 3.31Å; W283-G285 PolarHBondContact O-N 3.47Å; G285-K287 PolarHBondContact O-N 3.02Å; G285-K288 PolarHBondContact O-N 3.5Å; G285-N289 WeakPolarHBondContact O-CB 3.41Å; G285-N289 PolarHBondContact O-N 2.84Å; G285-N289 PolarHBondContact O-ND2 3.41Å
286F90.1Very high78.6Confident2 Ų238.4 Ų38.41%0.00922%0.221CC..Hα-helixtrans-58.2-48.3176.3172-108000111.7K189 L192 F193 Y196 F282 W283 K288 N289 I290 L291K189-F286 HydrophobicContact CG-CE1 4.49Å; L192-F286 HydrophobicContact CB-CE2 3.98Å; L192-F286 HydrophobicContact CB-CZ 3.67Å; F193-F286 HydrophobicContact CB-CD1 4.05Å; F193-F286 HydrophobicContact CB-CE1 3.96Å; F193-F286 HydrophobicContact CB-CG 4.43Å; F193-F286 HydrophobicContact CB-CZ 4.28Å; F193-F286 HydrophobicContact CD2-CB 3.73Å; F193-F286 AromaticContact CD2-CD1 3.88Å; F193-F286 HydrophobicContact CD2-CD1 3.88Å; F193-F286 HydrophobicContact CD2-CD2 4.37Å; F193-F286 AromaticContact CD2-CG 3.74Å; F193-F286 HydrophobicContact CD2-CG 3.74Å; F193-F286 HydrophobicContact CE2-CB 4.1Å; F193-F286 HydrophobicContact CG-CD1 4.31Å; Y196-F286 HydrophobicContact CD1-CB 3.86Å; Y196-F286 HydrophobicContact CD1-CD2 4.37Å; Y196-F286 HydrophobicContact CD2-CB 4.46Å; Y196-F286 AromaticContact CD2-CD2 3.85Å; Y196-F286 HydrophobicContact CD2-CD2 3.85Å; Y196-F286 HydrophobicContact CE1-CB 4.01Å; Y196-F286 HydrophobicContact CG-CB 4.1Å; Y196-F286 AromaticContact CG-CD2 3.74Å; Y196-F286 HydrophobicContact CG-CD2 3.74Å; Y196-F286 HydrophobicContact CG-CG 4.34Å; F282-F286 WeakPolarHBondContact O-CB 3.28Å; F282-F286 PolarHBondContact O-N 3.24Å; W283-F286 AromaticContact CE3-CD1 3.84Å; W283-F286 HydrophobicContact CE3-CD1 3.84Å; W283-F286 HydrophobicContact CE3-CE1 4.46Å; W283-F286 HydrophobicContact CH2-CD1 4.43Å; W283-F286 HydrophobicContact CH2-CE1 4.43Å; W283-F286 AromaticContact CZ3-CD1 3.68Å; W283-F286 HydrophobicContact CZ3-CD1 3.68Å; W283-F286 AromaticContact CZ3-CE1 3.85Å; W283-F286 HydrophobicContact CZ3-CE1 3.85Å; W283-F286 WeakPolarHBondContact O-CB 3.32Å; W283-F286 PolarHBondContact O-N 3.41Å; F286-K288 PolarHBondContact O-N 3.22Å; F286-N289 PolarHBondContact O-N 3.29Å; F286-I290 HydrophobicContact CD2-CB 3.78Å; F286-I290 HydrophobicContact CD2-CG1 3.64Å; F286-I290 HydrophobicContact CD2-CG2 4.26Å; F286-I290 HydrophobicContact CE2-CB 3.76Å; F286-I290 HydrophobicContact CE2-CG1 3.96Å; F286-I290 HydrophobicContact CE2-CG2 3.72Å; F286-I290 HydrophobicContact CZ-CG2 4.37Å; F286-I290 WeakPolarHBondContact O-CA 3.46Å; F286-I290 VanDerWaalsContact O-CB 3.26Å; F286-I290 WeakPolarHBondContact O-CB 3.41Å; F286-I290 PolarHBondContact O-N 2.85Å; F286-L291 HydrophobicContact CD1-CD1 4.24Å; F286-L291 HydrophobicContact CD1-CG 4.31Å; F286-L291 HydrophobicContact CE1-CD1 3.75Å; F286-L291 HydrophobicContact CE1-CD2 4.03Å; F286-L291 HydrophobicContact CE1-CG 3.81Å; F286-L291 HydrophobicContact CZ-CD1 4.48Å; F286-L291 HydrophobicContact CZ-CD2 3.93Å; F286-L291 HydrophobicContact CZ-CG 4.12Å; F286-L291 PolarHBondContact O-N 3.35Å
287K88.4Confident77Confident33 Ų3340.2 Ų40.214%0.14323%0.233CC..Iπ-helixtrans-56.2-54.5177-80.6-176.359.6-179.70111.4D170 E173 W283 G285 N289 L291 C292D170-K287 VanDerWaalsContact OD1-CD 3.26Å; D170-K287 WeakPolarHBondContact OD1-CD 3.23Å; D170-K287 VanDerWaalsContact OD1-CE 3.25Å; D170-K287 WeakPolarHBondContact OD1-CE 3.28Å; D170-K287 IonicContact OD1-NZ 3.75Å; D170-K287 PolarHBondContact OD1-NZ 3.27Å; E173-K287 WeakPolarHBondContact OE2-CD 3.32Å; E173-K287 WeakPolarHBondContact OE2-CE 3.44Å; E173-K287 IonicContact OE2-NZ 2.74Å; E173-K287 PolarHBondContact OE2-NZ 3.37Å; W283-K287 HydrophobicContact CD2-CD 4.46Å; W283-K287 HydrophobicContact CD2-CG 4.38Å; W283-K287 HydrophobicContact CZ2-CD 3.92Å; W283-K287 HydrophobicContact CZ2-CG 4.06Å; W283-K287 PolarHBondContact O-N 2.92Å; G285-K287 PolarHBondContact O-N 3.02Å; K287-N289 PolarHBondContact O-N 3.35Å; K287-L291 HydrophobicContact CG-CD1 4.11Å; K287-L291 CarbonylContact O-C 3.19Å; K287-L291 WeakPolarHBondContact O-CA 2.98Å; K287-L291 WeakPolarHBondContact O-CB 3.42Å; K287-L291 PolarHBondContact O-N 3.3Å; K287-L291 VanDerWaalsContact O-N 3.1Å; K287-C292 PolarHBondContact O-N 3.29Å; K287-C292 PolarHBondContact O-SG 3.25Å; K287-C292 VanDerWaalsContact O-SG 3.33Å
288K83Confident75.4Confident55 Ų5540.3 Ų40.324%0.23923%0.231CC..Iπ-helixtrans-66-43.3-177.2-171.1-175.3-176.6177.90112.5M164 A284 G285 F286 C292M164-K288 HydrophobicContact CE-CD 3.47Å; M164-K288 VanDerWaalsContact CE-CD 3.47Å; M164-K288 VanDerWaalsContact CE-NZ 3.28Å; M164-K288 HydrophobicContact SD-CB 3.74Å; M164-K288 HydrophobicContact SD-CD 3.06Å; M164-K288 WeakPolarHBondContact SD-CD 2.86Å; M164-K288 HydrophobicContact SD-CG 4.05Å; A284-K288 PolarHBondContact O-N 2.89Å; A284-K288 VanDerWaalsContact O-N 3.14Å; G285-K288 PolarHBondContact O-N 3.5Å; F286-K288 PolarHBondContact O-N 3.22Å; K288-C292 WeakPolarHBondContact O-CB 3.31Å
289N79.9Confident73.8Confident4 Ų438.6 Ų38.62%0.02123%0.231CC..Iπ-helixtrans-86-30-169.2-67.7-42.7000113.8F160 S161 G285 F286 K287 K293F160-N289 HydrophobicContact CD2-CB 3.59Å; F160-N289 VanDerWaalsContact CD2-CG 3.45Å; F160-N289 WeakPolarHBondContact CD2-OD1 3.11Å; F160-N289 HydrophobicContact CE2-CB 3.4Å; F160-N289 HydrophobicContact CZ-CB 4.19Å; S161-N289 PolarHBondContact O-ND2 2.99Å; G285-N289 WeakPolarHBondContact O-CB 3.41Å; G285-N289 PolarHBondContact O-N 2.84Å; G285-N289 PolarHBondContact O-ND2 3.41Å; F286-N289 PolarHBondContact O-N 3.29Å; K287-N289 PolarHBondContact O-N 3.35Å; N289-K293 WeakPolarHBondContact O-CD 3.49Å; N289-K293 WeakPolarHBondContact O-CE 3.29Å; N289-K293 WeakPolarHBondContact O-CG 3.24Å
290I78.3Confident72Confident54 Ų5447.8 Ų47.828%0.27727%0.265SS..Iπ-helixtrans-109.9-51.2-174.6-52.8-58.1000110.3Y196 F286Y196-I290 HydrophobicContact CD2-CD1 4.37Å; Y196-I290 HydrophobicContact CD2-CG1 3.92Å; Y196-I290 HydrophobicContact CE2-CD1 4.28Å; Y196-I290 HydrophobicContact CE2-CG1 3.96Å; F286-I290 HydrophobicContact CD2-CB 3.78Å; F286-I290 HydrophobicContact CD2-CG1 3.64Å; F286-I290 HydrophobicContact CD2-CG2 4.26Å; F286-I290 HydrophobicContact CE2-CB 3.76Å; F286-I290 HydrophobicContact CE2-CG1 3.96Å; F286-I290 HydrophobicContact CE2-CG2 3.72Å; F286-I290 HydrophobicContact CZ-CG2 4.37Å; F286-I290 WeakPolarHBondContact O-CA 3.46Å; F286-I290 VanDerWaalsContact O-CB 3.26Å; F286-I290 WeakPolarHBondContact O-CB 3.41Å; F286-I290 PolarHBondContact O-N 2.85Å
291L75.2Confident69.9Low20 Ų2048.5 Ų48.511%0.10527%0.269CS..Iπ-helixtrans-79.7-29.2-175.2-57.2-175.4000113.6K189 F286 K287 Q298 I301K189-L291 HydrophobicContact CD-CD1 4.33Å; K189-L291 HydrophobicContact CG-CD1 4.18Å; F286-L291 HydrophobicContact CD1-CD1 4.24Å; F286-L291 HydrophobicContact CD1-CG 4.31Å; F286-L291 HydrophobicContact CE1-CD1 3.75Å; F286-L291 HydrophobicContact CE1-CD2 4.03Å; F286-L291 HydrophobicContact CE1-CG 3.81Å; F286-L291 HydrophobicContact CZ-CD1 4.48Å; F286-L291 HydrophobicContact CZ-CD2 3.93Å; F286-L291 HydrophobicContact CZ-CG 4.12Å; F286-L291 PolarHBondContact O-N 3.35Å; K287-L291 HydrophobicContact CG-CD1 4.11Å; K287-L291 CarbonylContact O-C 3.19Å; K287-L291 WeakPolarHBondContact O-CA 2.98Å; K287-L291 WeakPolarHBondContact O-CB 3.42Å; K287-L291 PolarHBondContact O-N 3.3Å; K287-L291 VanDerWaalsContact O-N 3.1Å; L291-Q298 WeakPolarHBondContact O-CG 3.33Å; L291-Q298 PolarHBondContact O-NE2 2.96Å; L291-I301 HydrophobicContact CD2-CD1 3.85Å
292C66.4Low68Low79 Ų7952 Ų5253%0.53428%0.283SS..SBendtrans-92.9-4-179.6-62.30000114.1K287 K288 S294K287-C292 PolarHBondContact O-N 3.29Å; K287-C292 PolarHBondContact O-SG 3.25Å; K287-C292 VanDerWaalsContact O-SG 3.33Å; K288-C292 WeakPolarHBondContact O-CB 3.31Å; C292-S294 PolarHBondContact O-N 3.07Å
293K56.9Low65.9Low100 Ų10054.6 Ų54.644%0.43530%0.301SS..SBendtrans-83.297.4177.6-76.4-165.5-173.41800111.6N289 T297N289-K293 WeakPolarHBondContact O-CD 3.49Å; N289-K293 WeakPolarHBondContact O-CE 3.29Å; N289-K293 WeakPolarHBondContact O-CG 3.24Å; K293-T297 WeakPolarHBondContact O-CB 3.37Å; K293-T297 PolarHBondContact O-OG1 3Å
294S45.3Very low63.8Low57 Ų5757.2 Ų57.240%0.39932%0.317SS..  trans76.6136.417385.60000116.5C292 S296 T297 Q298C292-S294 PolarHBondContact O-N 3.07Å; S294-S296 WeakPolarHBondContact CB-OG 3.47Å; S294-S296 PolarHBondContact O-N 2.96Å; S294-S296 PolarHBondContact OG-OG 3Å; S294-T297 PolarHBondContact O-N 2.91Å; S294-T297 PolarHBondContact OG-N 3.44Å; S294-T297 PolarHBondContact OG-OG1 3.29Å; S294-Q298 PolarHBondContact O-N 3.15Å
295A46.9Very low61.5Low81 Ų8160 Ų6067%0.66933%0.33SS*.Hα-helixtrans-57.2-27.7173.200000112.4S299A295-S299 VanDerWaalsContact O-CB 3.28Å; A295-S299 WeakPolarHBondContact O-CB 3.46Å; A295-S299 PolarHBondContact O-N 3.37Å; A295-S299 PolarHBondContact O-OG 3.49Å; A295-S299 VanDerWaalsContact O-OG 3.12Å
296S48.3Very low59.5Low79 Ų7968 Ų6855%0.55237%0.365SS*.Hα-helixtrans-67.8-35.2173.738.90000113.8S294 S299 R300S294-S296 WeakPolarHBondContact CB-OG 3.47Å; S294-S296 PolarHBondContact O-N 2.96Å; S294-S296 PolarHBondContact OG-OG 3Å; S296-S299 WeakPolarHBondContact CA-OG 3.37Å; S296-S299 PolarHBondContact O-OG 3.34Å; S296-S299 VanDerWaalsContact O-OG 3.07Å; S296-R300 VanDerWaalsContact O-CB 3.28Å; S296-R300 WeakPolarHBondContact O-CB 2.99Å; S296-R300 PolarHBondContact O-N 3.4Å
297T50.2Low57.3Low52 Ų5274.6 Ų74.632%0.31940%0.399SS..Hα-helixtrans-74.7-41.6175.9-52.10000110.1K293 S294 R300 I301K293-T297 WeakPolarHBondContact O-CB 3.37Å; K293-T297 PolarHBondContact O-OG1 3Å; S294-T297 PolarHBondContact O-N 2.91Å; S294-T297 PolarHBondContact OG-N 3.44Å; S294-T297 PolarHBondContact OG-OG1 3.29Å; T297-R300 PolarHBondContact O-N 3.34Å; T297-I301 HydrophobicContact CG2-CD1 3.88Å; T297-I301 HydrophobicContact CG2-CG1 4.44Å; T297-I301 WeakPolarHBondContact O-CB 3.06Å; T297-I301 VanDerWaalsContact O-CG1 3.26Å; T297-I301 WeakPolarHBondContact O-CG1 3.49Å; T297-I301 PolarHBondContact O-N 3.44Å
298Q50.1Low55.1Low84 Ų8476.6 Ų76.639%0.39341%0.412SS..Hα-helixtrans-62.5-44.2174.1-75.5-175-10.800111.9L291 S294 R300 I301 Q302L291-Q298 WeakPolarHBondContact O-CG 3.33Å; L291-Q298 PolarHBondContact O-NE2 2.96Å; S294-Q298 PolarHBondContact O-N 3.15Å; Q298-R300 VanDerWaalsContact C-N 3.34Å; Q298-R300 PolarHBondContact O-N 3.48Å; Q298-I301 PolarHBondContact O-N 3.17Å; Q298-Q302 VanDerWaalsContact O-CB 3.22Å; Q298-Q302 WeakPolarHBondContact O-CB 3.35Å; Q298-Q302 WeakPolarHBondContact O-CG 3.34Å; Q298-Q302 PolarHBondContact O-N 3.36Å
299S48.9Very low53.1Low66 Ų6681 Ų8146%0.46244%0.437SS..Hα-helixtrans-66.2-37177.667.40000111.8A295 S296 S303A295-S299 VanDerWaalsContact O-CB 3.28Å; A295-S299 WeakPolarHBondContact O-CB 3.46Å; A295-S299 PolarHBondContact O-N 3.37Å; A295-S299 PolarHBondContact O-OG 3.49Å; A295-S299 VanDerWaalsContact O-OG 3.12Å; S296-S299 WeakPolarHBondContact CA-OG 3.37Å; S296-S299 PolarHBondContact O-OG 3.34Å; S296-S299 VanDerWaalsContact O-OG 3.07Å; S299-S303 WeakPolarHBondContact O-CB 3.48Å; S299-S303 PolarHBondContact O-N 3.34Å; S299-S303 PolarHBondContact O-OG 2.9Å
300R51Low51.1Low192 Ų19289.4 Ų89.473%0.72548%0.477SS*.Hα-helixtrans-65-48.4173.8-171176.5-93.2174.7-6.5111.3S296 T297 Q298 Q302 S303 T304S296-R300 VanDerWaalsContact O-CB 3.28Å; S296-R300 WeakPolarHBondContact O-CB 2.99Å; S296-R300 PolarHBondContact O-N 3.4Å; T297-R300 PolarHBondContact O-N 3.34Å; Q298-R300 VanDerWaalsContact C-N 3.34Å; Q298-R300 PolarHBondContact O-N 3.48Å; R300-Q302 PolarHBondContact O-N 3.38Å; R300-S303 WeakPolarHBondContact CA-OG 3.38Å; R300-S303 PolarHBondContact O-N 2.85Å; R300-S303 PolarHBondContact O-OG 2.89Å; R300-T304 PolarHBondContact O-N 3.39Å; R300-T304 PolarHBondContact O-OG1 2.86Å; R300-T304 VanDerWaalsContact O-OG1 3.06Å
301I49.2Very low49.3Very low26 Ų2695.3 Ų95.313%0.13350%0.5CS..Hα-helixtrans-62.4-43.7177-67.1169.6000111L291 T297 Q298 T304 M305L291-I301 HydrophobicContact CD2-CD1 3.85Å; T297-I301 HydrophobicContact CG2-CD1 3.88Å; T297-I301 HydrophobicContact CG2-CG1 4.44Å; T297-I301 WeakPolarHBondContact O-CB 3.06Å; T297-I301 VanDerWaalsContact O-CG1 3.26Å; T297-I301 WeakPolarHBondContact O-CG1 3.49Å; T297-I301 PolarHBondContact O-N 3.44Å; Q298-I301 PolarHBondContact O-N 3.17Å; I301-T304 WeakPolarHBondContact CA-OG1 3.4Å; I301-T304 PolarHBondContact O-N 3.22Å; I301-T304 PolarHBondContact O-OG1 3.49Å; I301-M305 HydrophobicContact CG2-CE 3.7Å; I301-M305 HydrophobicContact CG2-CG 4.39Å; I301-M305 HydrophobicContact CG2-SD 3.83Å; I301-M305 WeakPolarHBondContact O-CB 3.48Å; I301-M305 WeakPolarHBondContact O-CG 3.35Å; I301-M305 PolarHBondContact O-N 3.34Å
302Q52.4Low47.5Very low104 Ų10499.2 Ų99.249%0.48652%0.52SS..Hα-helixtrans-66.8-36.4176.7-74.3177.15.200112.2Q298 R300 M305 K306Q298-Q302 VanDerWaalsContact O-CB 3.22Å; Q298-Q302 WeakPolarHBondContact O-CB 3.35Å; Q298-Q302 WeakPolarHBondContact O-CG 3.34Å; Q298-Q302 PolarHBondContact O-N 3.36Å; R300-Q302 PolarHBondContact O-N 3.38Å; Q302-M305 PolarHBondContact O-N 3.11Å; Q302-K306 WeakPolarHBondContact O-CG 3.36Å; Q302-K306 PolarHBondContact O-N 3.35Å
303S48.1Very low46.2Very low54 Ų54104.2 Ų104.238%0.37854%0.535SS..Hα-helixtrans-67.2-40.3176.370.40000111.5S299 R300 K306 L307S299-S303 WeakPolarHBondContact O-CB 3.48Å; S299-S303 PolarHBondContact O-N 3.34Å; S299-S303 PolarHBondContact O-OG 2.9Å; R300-S303 WeakPolarHBondContact CA-OG 3.38Å; R300-S303 PolarHBondContact O-N 2.85Å; R300-S303 PolarHBondContact O-OG 2.89Å; S303-K306 PolarHBondContact O-N 3.42Å; S303-L307 WeakPolarHBondContact O-CB 3.48Å; S303-L307 WeakPolarHBondContact O-CD1 3.28Å; S303-L307 PolarHBondContact O-N 3.31Å; S303-L307 VanDerWaalsContact O-N 3.14Å
304T49.3Very low45Very low55 Ų55100.5 Ų100.534%0.33753%0.526SS..Hα-helixtrans-67-38.8172.246.70000111R300 I301 K306 L307 D308R300-T304 PolarHBondContact O-N 3.39Å; R300-T304 PolarHBondContact O-OG1 2.86Å; R300-T304 VanDerWaalsContact O-OG1 3.06Å; I301-T304 WeakPolarHBondContact CA-OG1 3.4Å; I301-T304 PolarHBondContact O-N 3.22Å; I301-T304 PolarHBondContact O-OG1 3.49Å; T304-K306 PolarHBondContact O-N 3Å; T304-L307 PolarHBondContact O-N 3.23Å; T304-D308 WeakPolarHBondContact O-CB 3.46Å; T304-D308 PolarHBondContact O-N 3.39Å
305M44.1Very low44.6Very low64 Ų64100.8 Ų100.832%0.31553%0.525SS..Hα-helixtrans-62.8-38.5175.4-75.2171.7166.300112.9K189 I301 Q302K189-M305 HydrophobicContact CB-CE 4.03Å; I301-M305 HydrophobicContact CG2-CE 3.7Å; I301-M305 HydrophobicContact CG2-CG 4.39Å; I301-M305 HydrophobicContact CG2-SD 3.83Å; I301-M305 WeakPolarHBondContact O-CB 3.48Å; I301-M305 WeakPolarHBondContact O-CG 3.35Å; I301-M305 PolarHBondContact O-N 3.34Å; Q302-M305 PolarHBondContact O-N 3.11Å
306K46.6Very low44.2Very low168 Ų168101.9 Ų101.973%0.7353%0.525SS*.Hα-helixtrans-78.6-25.5179.9-73.6-175-179.5-175.60114.3Q302 S303 T304Q302-K306 WeakPolarHBondContact O-CG 3.36Å; Q302-K306 PolarHBondContact O-N 3.35Å; S303-K306 PolarHBondContact O-N 3.42Å; T304-K306 PolarHBondContact O-N 3Å
307L44.5Very low44Very low139 Ų139104.6 Ų104.673%0.72852%0.524SS*.Hα-helixtrans-82.9-23.6179.7-97.9134.4000112.9S303 T304S303-L307 WeakPolarHBondContact O-CB 3.48Å; S303-L307 WeakPolarHBondContact O-CD1 3.28Å; S303-L307 PolarHBondContact O-N 3.31Å; S303-L307 VanDerWaalsContact O-N 3.14Å; T304-L307 PolarHBondContact O-N 3.23Å
308D43.6Very low43.6Very low76 Ų76103.7 Ų103.741%0.40652%0.517SS..Hα-helixtrans-100.4-5.3-170.9-85.9-22.4000115.3T304 Q310 K311 I312T304-D308 WeakPolarHBondContact O-CB 3.46Å; T304-D308 PolarHBondContact O-N 3.39Å; D308-Q310 PolarHBondContact O-N 3.22Å; D308-K311 PolarHBondContact O-N 3.34Å; D308-I312 HydrophobicContact CB-CD1 3.78Å; D308-I312 HydrophobicContact CB-CG1 3.72Å; D308-I312 PolarHBondContact O-N 2.94Å
309D39.1Very low43Very low146 Ų146102.6 Ų102.678%0.78152%0.518SS*.THydrogen-bonded Turntrans-60.1-5.8175.9-90.2-21000114.2
310Q39.2Very low42.4Very low182 Ų182102.4 Ų102.485%0.8552%0.517SS*.THydrogen-bonded Turntrans-118.1-8.1178.3-66.4-172.3-4.200115.5D308D308-Q310 PolarHBondContact O-N 3.22Å
311K39.5Very low41.9Very low177 Ų17797 Ų9777%0.7751%0.507SS*.THydrogen-bonded Turntrans-150.419.8-171.9-79.3-168.7-179173.10118D308 H313D308-K311 PolarHBondContact O-N 3.34Å; K311-H313 VanDerWaalsContact C-N 3.27Å; K311-H313 PolarHBondContact O-N 2.99Å
312I37.9Very low41.5Very low102 Ų10297 Ų9752%0.52351%0.507SS..  trans-71.789166.4-56.7169.2000108.8D308 G314D308-I312 HydrophobicContact CB-CD1 3.78Å; D308-I312 HydrophobicContact CB-CG1 3.72Å; D308-I312 PolarHBondContact O-N 2.94Å; I312-G314 VanDerWaalsContact C-N 3.29Å; I312-G314 PolarHBondContact O-N 2.99Å
313H38.5Very low41.2Very low184 Ų18496.7 Ų96.785%0.85251%0.512SS*.  trans-57.1101.8152.5-82.6-77.9000106.4K311 T315K311-H313 VanDerWaalsContact C-N 3.27Å; K311-H313 PolarHBondContact O-N 2.99Å; H313-T315 PolarHBondContact O-N 3.47Å
314G33.1Very low40.5Very low23 Ų23104.3 Ų104.324%0.23753%0.534CS..  trans-46.9132-172.400000111.6I312 P316I312-G314 VanDerWaalsContact C-N 3.29Å; I312-G314 PolarHBondContact O-N 2.99Å; G314-P316 WeakPolarHBondContact O-CA 3.24Å; G314-P316 WeakPolarHBondContact O-CD 3.1Å; G314-P316 WeakPolarHBondContact O-CG 3.27Å
315T36.7Very low40.1Very low63 Ų63110.5 Ų110.539%0.38756%0.556SS.*  trans-46.4103.7175.6-22.50000108.7H313 W317 L318 S319H313-T315 PolarHBondContact O-N 3.47Å; T315-W317 PolarHBondContact O-N 3.28Å; T315-L318 PolarHBondContact O-N 2.95Å; T315-L318 VanDerWaalsContact O-N 3.08Å; T315-S319 PolarHBondContact O-OG 2.96Å
316P38.9Very low40.1Very low103 Ų103112.1 Ų112.167%0.66956%0.56SS**Hα-helixtrans-62.4-16.6-158.5-28.335.2000115.2G314 S320G314-P316 WeakPolarHBondContact O-CA 3.24Å; G314-P316 WeakPolarHBondContact O-CD 3.1Å; G314-P316 WeakPolarHBondContact O-CG 3.27Å; P316-S320 WeakPolarHBondContact O-CB 3.4Å
317W43.7Very low40Very low137 Ų137109.6 Ų109.652%0.51955%0.55SS.*Hα-helixtrans-86.8-17.3-177.868.7-89.2000114.3T315T315-W317 PolarHBondContact O-N 3.28Å
318L41Very low40.2Very low33 Ų33109.3 Ų109.317%0.17355%0.545CS..Hα-helixtrans-102.7-17.9177.1-87.2152.3000113.5L186 T315L186-L318 HydrophobicContact CD1-CD1 4.12Å; L186-L318 HydrophobicContact CD1-CD2 3.85Å; L186-L318 HydrophobicContact CD1-CG 4.46Å; T315-L318 PolarHBondContact O-N 2.95Å; T315-L318 VanDerWaalsContact O-N 3.08Å
319S38.1Very low40.4Very low60 Ų60108.7 Ų108.742%0.4254%0.544SS..Hα-helixtrans-98.7-11.8178.947.40000113.9T315T315-S319 PolarHBondContact O-OG 2.96Å
320S35.5Very low40.6Very low63 Ų63105.3 Ų105.344%0.44153%0.526SS..SBendtrans-71.2137.1168.1169.80000109.5P316 L322P316-S320 WeakPolarHBondContact O-CB 3.4Å; S320-L322 PolarHBondContact O-N 3.43Å
321P40.9Very low41.1Very low79 Ų79101.4 Ų101.451%0.51351%0.507SS..  trans-52.9117.4170.8-17.929.1000108.4T323P321-T323 WeakPolarHBondContact CB-OG1 3.21Å; P321-T323 PolarHBondContact O-N 2.97Å
322L41.3Very low41.9Very low25 Ų2596.8 Ų96.813%0.13149%0.491CS..  trans-69.717.3-179.3-67.1167.2000112.1S320 Y324 Y326S320-L322 PolarHBondContact O-N 3.43Å; L322-Y324 PolarHBondContact O-N 2.89Å; L322-Y324 VanDerWaalsContact O-N 3.13Å; L322-Y326 HydrophobicContact CB-CD2 3.74Å; L322-Y326 HydrophobicContact CB-CE2 4.35Å; L322-Y326 HydrophobicContact CB-CG 4.33Å; L322-Y326 HydrophobicContact CD2-CD2 3.56Å; L322-Y326 HydrophobicContact CD2-CE2 3.23Å; L322-Y326 HydrophobicContact CG-CD2 4.18Å; L322-Y326 HydrophobicContact CG-CE2 4.29Å; L322-Y326 WeakPolarHBondContact O-CB 3.28Å; L322-Y326 PolarHBondContact O-N 3.12Å
323T44.8Very low42.3Very low98 Ų9895.1 Ų95.160%0.60148%0.478SS*.THydrogen-bonded Turntrans-86.110.6-149.4-25.90000115.5P321P321-T323 WeakPolarHBondContact CB-OG1 3.21Å; P321-T323 PolarHBondContact O-N 2.97Å
324Y35.4Very low42.9Very low213 Ų21391.6 Ų91.684%0.83547%0.465SS*.THydrogen-bonded Turntrans-137-42172.5-153-96.9000113.6L322L322-Y324 PolarHBondContact O-N 2.89Å; L322-Y324 VanDerWaalsContact O-N 3.13Å
325K40.7Very low44.3Very low185 Ų18596.2 Ų96.280%0.80448%0.479SS*.Hα-helixtrans-73.3-28.2178-101.1-174.2174.2-176.50113.7V329K325-V329 WeakPolarHBondContact O-CG2 3.23Å
326Y44.3Very low45.3Very low99 Ų9998.6 Ų98.639%0.38849%0.488SS..Hα-helixtrans-91.2-17.3-179.9-71.6-91000113.8L322 Q328 V329 L330L322-Y326 HydrophobicContact CB-CD2 3.74Å; L322-Y326 HydrophobicContact CB-CE2 4.35Å; L322-Y326 HydrophobicContact CB-CG 4.33Å; L322-Y326 HydrophobicContact CD2-CD2 3.56Å; L322-Y326 HydrophobicContact CD2-CE2 3.23Å; L322-Y326 HydrophobicContact CG-CD2 4.18Å; L322-Y326 HydrophobicContact CG-CE2 4.29Å; L322-Y326 WeakPolarHBondContact O-CB 3.28Å; L322-Y326 PolarHBondContact O-N 3.12Å; Y326-Q328 PolarHBondContact O-N 3.02Å; Y326-V329 WeakPolarHBondContact O-CB 3.29Å; Y326-V329 PolarHBondContact O-N 3.31Å; Y326-L330 WeakPolarHBondContact O-CB 3.46Å; Y326-L330 VanDerWaalsContact O-CG 3.29Å; Y326-L330 WeakPolarHBondContact O-CG 3.31Å; Y326-L330 PolarHBondContact O-N 2.92Å
327H43.8Very low45.7Very low115 Ų115100.8 Ų100.853%0.53249%0.49SS..Hα-helixtrans-62.5-45.1177.4-156.777.2000111.3V329 L330 E331H327-V329 VanDerWaalsContact C-N 3.3Å; H327-V329 PolarHBondContact O-N 3.38Å; H327-L330 PolarHBondContact O-N 3.4Å; H327-E331 IonicContact CD2-OE1 2.7Å; H327-E331 IonicContact NE2-OE1 3.94Å; H327-E331 WeakPolarHBondContact O-CG 3.49Å; H327-E331 PolarHBondContact O-N 2.71Å
328Q47.7Very low46.3Very low132 Ų132101 Ų10162%0.61750%0.496SS*.Hα-helixtrans-65.7-33.1175.5-164.21731400112.3Y326 N332Y326-Q328 PolarHBondContact O-N 3.02Å; Q328-N332 VanDerWaalsContact O-CB 3.32Å; Q328-N332 WeakPolarHBondContact O-CB 3.36Å; Q328-N332 VanDerWaalsContact O-CG 3.24Å; Q328-N332 PolarHBondContact O-N 2.94Å; Q328-N332 PolarHBondContact O-ND2 3.46Å
329V48Very low47.3Very low64 Ų64105.4 Ų105.439%0.38852%0.52SS..Hα-helixtrans-68.1-42.6174.6175.90000110.8K325 Y326 H327 R333K325-V329 WeakPolarHBondContact O-CG2 3.23Å; Y326-V329 WeakPolarHBondContact O-CB 3.29Å; Y326-V329 PolarHBondContact O-N 3.31Å; H327-V329 VanDerWaalsContact C-N 3.3Å; H327-V329 PolarHBondContact O-N 3.38Å; V329-R333 WeakPolarHBondContact O-CB 3.33Å; V329-R333 WeakPolarHBondContact O-CG 3.24Å; V329-R333 PolarHBondContact O-N 3.44Å
330L43.9Very low47.4Very low74 Ų74110.5 Ų110.539%0.38753%0.53SS..Hα-helixtrans-66.6-42.7176.3-70.3169.8000111.8Y326 H327 R333 L334Y326-L330 WeakPolarHBondContact O-CB 3.46Å; Y326-L330 VanDerWaalsContact O-CG 3.29Å; Y326-L330 WeakPolarHBondContact O-CG 3.31Å; Y326-L330 PolarHBondContact O-N 2.92Å; H327-L330 PolarHBondContact O-N 3.4Å; L330-R333 PolarHBondContact O-N 3.36Å; L330-L334 PolarHBondContact O-N 2.9Å
331E50Low47.8Very low100 Ų100116.1 Ų116.147%0.46755%0.549SS..Hα-helixtrans-62-44.9174.1-77.2-173.8155.800112.1H327 R333 L334 K335H327-E331 IonicContact CD2-OE1 2.7Å; H327-E331 IonicContact NE2-OE1 3.94Å; H327-E331 WeakPolarHBondContact O-CG 3.49Å; H327-E331 PolarHBondContact O-N 2.71Å; E331-R333 VanDerWaalsContact C-N 3.27Å; E331-R333 PolarHBondContact O-N 3.24Å; E331-L334 PolarHBondContact O-N 3.46Å; E331-K335 WeakPolarHBondContact O-CG 3.41Å; E331-K335 PolarHBondContact O-N 3.26Å
332N55.7Low47.9Very low80 Ų80119.3 Ų119.343%0.42856%0.561SS.*Hα-helixtrans-63.4-34.4176.2-77.8-13.9000112Q328 K335 L336Q328-N332 VanDerWaalsContact O-CB 3.32Å; Q328-N332 WeakPolarHBondContact O-CB 3.36Å; Q328-N332 VanDerWaalsContact O-CG 3.24Å; Q328-N332 PolarHBondContact O-N 2.94Å; Q328-N332 PolarHBondContact O-ND2 3.46Å; N332-K335 PolarHBondContact O-N 3.45Å; N332-L336 WeakPolarHBondContact O-CG 3.27Å; N332-L336 PolarHBondContact O-N 3.22Å
333R46.6Very low47.7Very low68 Ų68122.5 Ų122.526%0.25758%0.583SS.*Hα-helixtrans-71.1-41176.1-81.6-179.5138.8-145-13.4112.9F208 Q211 V329 L330 E331 K335 L336 H337F208-R333 VanDerWaalsContact CG-NH2 3.33Å; Q211-R333 VanDerWaalsContact CD-NH2 3.28Å; V329-R333 WeakPolarHBondContact O-CB 3.33Å; V329-R333 WeakPolarHBondContact O-CG 3.24Å; V329-R333 PolarHBondContact O-N 3.44Å; L330-R333 PolarHBondContact O-N 3.36Å; E331-R333 VanDerWaalsContact C-N 3.27Å; E331-R333 PolarHBondContact O-N 3.24Å; R333-K335 VanDerWaalsContact C-N 3.28Å; R333-K335 PolarHBondContact O-N 3.01Å; R333-L336 PolarHBondContact O-N 2.88Å; R333-H337 WeakPolarHBondContact O-CB 3.5Å; R333-H337 PolarHBondContact O-N 3Å
334L50.8Low47.4Very low109 Ų109123.8 Ų123.857%0.57160%0.597SS**Hα-helixtrans-58.9-42172.1-103.8145.3000111.1L330 E331 H337 Q338L330-L334 PolarHBondContact O-N 2.9Å; E331-L334 PolarHBondContact O-N 3.46Å; L334-H337 PolarHBondContact O-N 3.21Å; L334-Q338 WeakPolarHBondContact O-CB 3.36Å; L334-Q338 WeakPolarHBondContact O-CG 3.27Å; L334-Q338 PolarHBondContact O-N 3.41Å
335K63.1Low47.7Very low120 Ų120119.7 Ų119.752%0.52259%0.588SS.*Hα-helixtrans-61.7-50.4172.3-72.1178.5-178.4176.40112.1E331 N332 R333 H337 Q338 D339E331-K335 WeakPolarHBondContact O-CG 3.41Å; E331-K335 PolarHBondContact O-N 3.26Å; N332-K335 PolarHBondContact O-N 3.45Å; R333-K335 VanDerWaalsContact C-N 3.28Å; R333-K335 PolarHBondContact O-N 3.01Å; K335-H337 VanDerWaalsContact C-N 3.28Å; K335-H337 PolarHBondContact O-N 2.82Å; K335-Q338 PolarHBondContact O-N 2.98Å; K335-Q338 VanDerWaalsContact O-N 3.11Å; K335-D339 WeakPolarHBondContact O-CB 3.46Å; K335-D339 VanDerWaalsContact O-CG 3.25Å; K335-D339 PolarHBondContact O-N 3.15Å
336L56.4Low47.6Very low113 Ų113119.3 Ų119.359%0.59259%0.589SS**Hα-helixtrans-59.9-36.1178.2-77.2166.9000113.1N332 R333 W340N332-L336 WeakPolarHBondContact O-CG 3.27Å; N332-L336 PolarHBondContact O-N 3.22Å; R333-L336 PolarHBondContact O-N 2.88Å; L336-W340 WeakPolarHBondContact O-CB 3.31Å; L336-W340 PolarHBondContact O-N 2.95Å
337H48.5Very low47.6Very low150 Ų150119.2 Ų119.269%0.69460%0.598SS**Hα-helixtrans-73.2-35.9176-173.1-74.7000112R333 L334 K335 W340R333-H337 WeakPolarHBondContact O-CB 3.5Å; R333-H337 PolarHBondContact O-N 3Å; L334-H337 PolarHBondContact O-N 3.21Å; K335-H337 VanDerWaalsContact C-N 3.28Å; K335-H337 PolarHBondContact O-N 2.82Å; H337-W340 WeakPolarHBondContact O-CB 3.48Å; H337-W340 PolarHBondContact O-N 3.08Å
338Q55.8Low47.7Very low142 Ų142121.8 Ų121.866%0.66461%0.611SS**Hα-helixtrans-68.5-36.1173.3-75.2171.9-9.800112L334 K335 W340L334-Q338 WeakPolarHBondContact O-CB 3.36Å; L334-Q338 WeakPolarHBondContact O-CG 3.27Å; L334-Q338 PolarHBondContact O-N 3.41Å; K335-Q338 PolarHBondContact O-N 2.98Å; K335-Q338 VanDerWaalsContact O-N 3.11Å; Q338-W340 VanDerWaalsContact C-N 3.28Å
339D62.3Low47.8Very low124 Ų124121.8 Ų121.866%0.66361%0.614SS**SBendtrans-83.1-4.8177-63.7-28.6000112.6K335 Q341K335-D339 WeakPolarHBondContact O-CB 3.46Å; K335-D339 VanDerWaalsContact O-CG 3.25Å; K335-D339 PolarHBondContact O-N 3.15Å; D339-Q341 PolarHBondContact O-N 3.29Å
340W41Very low47.8Very low167 Ų167120.9 Ų120.963%0.63361%0.61SS**  trans-69.592.9178.7-166-71.6000109.7L336 H337 Q338 L342L336-W340 WeakPolarHBondContact O-CB 3.31Å; L336-W340 PolarHBondContact O-N 2.95Å; H337-W340 WeakPolarHBondContact O-CB 3.48Å; H337-W340 PolarHBondContact O-N 3.08Å; Q338-W340 VanDerWaalsContact C-N 3.28Å; W340-L342 PolarHBondContact O-N 2.85Å
341Q42.4Very low48.7Very low181 Ų181124.8 Ų124.885%0.84663%0.631SS**  trans-69.1111.6166.6-66.6-169.4-10.700108.1D339D339-Q341 PolarHBondContact O-N 3.29Å
342L42.7Very low48.9Very low146 Ų146127.5 Ų127.576%0.76465%0.645SS**  trans-51.6134.9168.7-86.1112.7000108.5W340 S344W340-L342 PolarHBondContact O-N 2.85Å; L342-S344 PolarHBondContact O-N 2.81Å; L342-S344 VanDerWaalsContact O-N 3.1Å
343P38Very low49Very low92 Ų92125.8 Ų125.860%0.59764%0.639SS**  trans-55.7124.7166.114.8-16.5000107.1I345P343-I345 PolarHBondContact O-N 3.29Å
344S39Very low49.7Very low126 Ų126131.9 Ų131.988%0.88167%0.67SS**  trans-63.984.4175.726.90000108.9L342L342-S344 PolarHBondContact O-N 2.81Å; L342-S344 VanDerWaalsContact O-N 3.1Å
345I41.4Very low50.1Low127 Ų127132.3 Ų132.365%0.65167%0.673SS**  trans-89.6100.7166.3-54.5171.5000104.7P343 V347P343-I345 PolarHBondContact O-N 3.29Å; I345-V347 HydrophobicContact CB-CG2 4.36Å; I345-V347 HydrophobicContact CG2-CG2 3.67Å; I345-V347 PolarHBondContact O-N 3Å
346E38.1Very low49.8Very low176 Ų176136.5 Ų136.582%0.82269%0.691SS**  trans-61.691.6161.7-84.6-173159.100107.8Q348E346-Q348 PolarHBondContact O-N 2.81Å
347V43.8Very low49.9Very low97 Ų97137 Ų13759%0.58869%0.69SS**  trans-81.599.9166.7-177.30000106.5I345 L349I345-V347 HydrophobicContact CB-CG2 4.36Å; I345-V347 HydrophobicContact CG2-CG2 3.67Å; I345-V347 PolarHBondContact O-N 3Å; V347-L349 PolarHBondContact O-N 3.17Å
348Q47.3Very low50Low170 Ų170132.9 Ų132.979%0.79467%0.672SS**  trans-70.5109.7167.1-68.7-175.20.200108.3E346E346-Q348 PolarHBondContact O-N 2.81Å
349L48.4Very low50.1Low132 Ų132131.6 Ų131.669%0.69167%0.67SS**PPolyproline II helixtrans-67.1137169.4-71.6165.2000108.7V347 N351V347-L349 PolarHBondContact O-N 3.17Å; L349-N351 PolarHBondContact O-N 3.21Å
350P49.2Very low49.8Very low45 Ų45127 Ų12729%0.29265%0.648SS.*PPolyproline II helixtrans-60139.8171.424-31.3000109.8M352 V369P350-M352 PolarHBondContact O-N 2.64Å; P350-V369 HydrophobicContact CG-CG1 4.43Å
351N63.1Low50.3Low155 Ų155126.4 Ų126.483%0.82965%0.649SS**PPolyproline II helixtrans-51.4139.3174.6-74.8-29.3000110.2L349 P353 W371L349-N351 PolarHBondContact O-N 3.21Å; N351-P353 WeakPolarHBondContact O-CD 3.34Å; N351-W371 PolarHBondContact O-NE1 2.67Å
352M54.2Low50.7Low157 Ų157120 Ų12077%0.77362%0.622SS**PPolyproline II helixtrans-63120.6-179.3-15614795.300109.1P350 W371P350-M352 PolarHBondContact O-N 2.64Å; M352-W371 HydrophobicContact CB-CZ2 4.48Å; M352-W371 HydrophobicContact CG-CH2 4.21Å; M352-W371 HydrophobicContact CG-CZ2 4.05Å
353P58Low50.9Low44 Ų44120.9 Ų120.929%0.28662%0.617SS.*PPolyproline II helixtrans-64.1139.1178.122.3-29.2000109N351 D355 M358 W371N351-P353 WeakPolarHBondContact O-CD 3.34Å; P353-D355 PolarHBondContact O-N 3.05Å; P353-M358 HydrophobicContact CB-CG 4.3Å; P353-M358 HydrophobicContact CG-CB 3.75Å; P353-M358 HydrophobicContact CG-CG 3.64Å; P353-W371 VanDerWaalsContact CD-NE1 3.27Å; P353-W371 HydrophobicContact CG-CB 4.43Å; P353-W371 HydrophobicContact CG-CD2 3.91Å; P353-W371 HydrophobicContact CG-CE3 4.45Å; P353-W371 HydrophobicContact CG-CG 3.89Å
354H60.8Low51.1Low196 Ų196118.4 Ų118.491%0.90760%0.602SS**SBendtrans-66.5-16.7178.2-72.2-62000112.8K356H354-K356 PolarHBondContact O-N 3.12Å
355D58.5Low51.1Low119 Ų119119.9 Ų119.964%0.63660%0.598SS**  trans-78.9120.2179.7-73.8-33.1000111.6P353 E357 M358P353-D355 PolarHBondContact O-N 3.05Å; D355-E357 PolarHBondContact O-N 3.38Å; D355-M358 PolarHBondContact O-N 3.13Å
356K57.4Low51.2Low208 Ų208125.3 Ų125.390%0.90461%0.61SS**THydrogen-bonded Turntrans-60-0.7175.9-75.9-178.7174.6178.20114.8H354H354-K356 PolarHBondContact O-N 3.12Å
357E57.6Low51.5Low123 Ų123125.1 Ų125.158%0.57561%0.607SS**THydrogen-bonded Turntrans-92.5-9.4-175.1-58.5-173.5173.400113.2D355 N359 N373D355-E357 PolarHBondContact O-N 3.38Å; E357-N359 PolarHBondContact O-N 3.08Å; E357-N359 VanDerWaalsContact O-N 3.08Å; E357-N359 PolarHBondContact O-OD1 3.49Å; E357-N359 VanDerWaalsContact O-OD1 3.06Å; E357-N373 WeakPolarHBondContact CB-ND2 3.24Å; E357-N373 PolarHBondContact O-OD1 3.16Å; E357-N373 PolarHBondContact OE2-ND2 3.23Å
358M52Low52.2Low64 Ų64122.1 Ų122.132%0.31560%0.595SS.*  trans-83.391.8-179.3-74.1-77-179.300111.2P353 D355 W371 N373P353-M358 HydrophobicContact CB-CG 4.3Å; P353-M358 HydrophobicContact CG-CB 3.75Å; P353-M358 HydrophobicContact CG-CG 3.64Å; D355-M358 PolarHBondContact O-N 3.13Å; M358-W371 HydrophobicContact CB-CB 4.45Å; M358-W371 HydrophobicContact CB-CD2 4.48Å; M358-W371 HydrophobicContact CB-CE3 3.96Å; M358-W371 HydrophobicContact CE-CB 4.29Å; M358-W371 HydrophobicContact CG-CB 4.18Å; M358-W371 HydrophobicContact SD-CB 3.47Å; M358-W371 WeakPolarHBondContact SD-CB 3.1Å; M358-N373 HydrophobicContact CE-CB 3.93Å; M358-N373 HydrophobicContact SD-CB 3.9Å; M358-N373 PolarHBondContact SD-N 2.84Å
359N57.7Low52.6Low115 Ų115116.2 Ų116.262%0.61557%0.571SS**  trans-92.4-5.2-171.7-51.3-19.2000113.9E357E357-N359 PolarHBondContact O-N 3.08Å; E357-N359 VanDerWaalsContact O-N 3.08Å; E357-N359 PolarHBondContact O-OD1 3.49Å; E357-N359 VanDerWaalsContact O-OD1 3.06Å
360S55.2Low53.2Low28 Ų28114 Ų11420%0.19656%0.559CS.*EExtended strand (participates in β ladder)trans-154.7156.6-175.567.80000112.7Q372S360-Q372 PolarHBondContact N-O 3.2Å; S360-Q372 PolarHBondContact O-N 2.91Å; S360-Q372 WeakPolarHBondContact OG-CB 3.28Å; S360-Q372 PolarHBondContact OG-O 3.28Å
361F52.6Low54Low153 Ų153115.4 Ų115.467%0.67156%0.559SS**EExtended strand (participates in β ladder)trans-108.8143.6167.953.4-89.2000109.2V369 D370F361-V369 HydrophobicContact CB-CG1 4.11Å; F361-D370 CarbonylContact C-O 3.32Å; F361-D370 VanDerWaalsContact CA-O 3.32Å; F361-D370 WeakPolarHBondContact CA-O 3.33Å
362T50.7Low53.8Low46 Ų46112.2 Ų112.228%0.28254%0.539SS..EExtended strand (participates in β ladder)trans-105.2143.9168.287.20000109.1V369 D370 Q372T362-V369 WeakPolarHBondContact O-CA 3.44Å; T362-D370 PolarHBondContact N-O 3.29Å; T362-D370 PolarHBondContact O-N 3.18Å; T362-Q372 HydrophobicContact CG2-CB 3.5Å; T362-Q372 HydrophobicContact CG2-CG 3.65Å
363Y45.2Very low54.1Low165 Ų165107.9 Ų107.965%0.64752%0.519SS*.EExtended strand (participates in β ladder)trans-114.9132.8168.7171.6-96.4000109.6I365 V369Y363-I365 HydrophobicContact CE1-CG1 4.17Å; Y363-V369 HydrophobicContact CD2-CG2 4.13Å
364S43.3Very low53.9Low40 Ų40111.6 Ų111.628%0.2853%0.531SS..EExtended strand (participates in β ladder)trans-135.5132.9174.4154.70000109.8R366 K367 G368S364-R366 PolarHBondContact O-N 3.49Å; S364-R366 PolarHBondContact OG-N 3.2Å; S364-R366 VanDerWaalsContact OG-N 3.15Å; S364-K367 PolarHBondContact O-N 3.14Å; S364-K367 PolarHBondContact OG-N 3Å; S364-K367 VanDerWaalsContact OG-N 3.13Å; S364-G368 PolarHBondContact N-O 3.23Å; S364-G368 PolarHBondContact O-N 2.84Å
365I39.6Very low53.3Low157 Ų157105.4 Ų105.481%0.80552%0.52SS*.THydrogen-bonded Turntrans-55.2-27.5174.7-60.1175.2000111.5Y363Y363-I365 HydrophobicContact CE1-CG1 4.17Å
366R42.3Very low52.5Low241 Ų241111.9 Ų111.991%0.90955%0.546SS*.THydrogen-bonded Turntrans-91.1-26177.4-80.2-172.9-179.3-179.70.2114.9S364S364-R366 PolarHBondContact O-N 3.49Å; S364-R366 PolarHBondContact OG-N 3.2Å; S364-R366 VanDerWaalsContact OG-N 3.15Å
367K45.6Very low52.3Low173 Ų173107.1 Ų107.175%0.75253%0.528SS*.THydrogen-bonded Turntrans-118.4-6.2-168.6-65.6-171.3174-172.10114.7S364S364-K367 PolarHBondContact O-N 3.14Å; S364-K367 PolarHBondContact OG-N 3Å; S364-K367 VanDerWaalsContact OG-N 3.13Å
368G56.8Low52Low33 Ų33106.3 Ų106.334%0.3453%0.526SS..EExtended strand (participates in β ladder)trans74.5-153-173.500000112.1S364S364-G368 PolarHBondContact N-O 3.23Å; S364-G368 PolarHBondContact O-N 2.84Å
369V56.5Low52Low46 Ų46108.6 Ų108.628%0.27954%0.538SS..EExtended strand (participates in β ladder)trans-92.3128.4176.1179.60000108.7P350 F361 T362 Y363P350-V369 HydrophobicContact CG-CG1 4.43Å; F361-V369 HydrophobicContact CB-CG1 4.11Å; T362-V369 WeakPolarHBondContact O-CA 3.44Å; Y363-V369 HydrophobicContact CD2-CG2 4.13Å
370D61.5Low51.6Low85 Ų85108.2 Ų108.246%0.45553%0.533SS..EExtended strand (participates in β ladder)trans-137.2155.4178.4-157.3-2.1000110.6F361 T362F361-D370 CarbonylContact C-O 3.32Å; F361-D370 VanDerWaalsContact CA-O 3.32Å; F361-D370 WeakPolarHBondContact CA-O 3.33Å; T362-D370 PolarHBondContact N-O 3.29Å; T362-D370 PolarHBondContact O-N 3.18Å
371W65.2Low51.4Low75 Ų75113.3 Ų113.328%0.28455%0.554SS.*EExtended strand (participates in β ladder)trans-83.3136.6179.5-6899.6000111.1N351 M352 P353 M358N351-W371 PolarHBondContact O-NE1 2.67Å; M352-W371 HydrophobicContact CB-CZ2 4.48Å; M352-W371 HydrophobicContact CG-CH2 4.21Å; M352-W371 HydrophobicContact CG-CZ2 4.05Å; P353-W371 VanDerWaalsContact CD-NE1 3.27Å; P353-W371 HydrophobicContact CG-CB 4.43Å; P353-W371 HydrophobicContact CG-CD2 3.91Å; P353-W371 HydrophobicContact CG-CE3 4.45Å; P353-W371 HydrophobicContact CG-CG 3.89Å; M358-W371 HydrophobicContact CB-CB 4.45Å; M358-W371 HydrophobicContact CB-CD2 4.48Å; M358-W371 HydrophobicContact CB-CE3 3.96Å; M358-W371 HydrophobicContact CE-CB 4.29Å; M358-W371 HydrophobicContact CG-CB 4.18Å; M358-W371 HydrophobicContact SD-CB 3.47Å; M358-W371 WeakPolarHBondContact SD-CB 3.1Å
372Q59.5Low51.3Low88 Ų88110.6 Ų110.641%0.41155%0.547SS..EExtended strand (participates in β ladder)trans-119.4127.5175.6-139.1-178-4.600110.9S360 T362S360-Q372 PolarHBondContact N-O 3.2Å; S360-Q372 PolarHBondContact O-N 2.91Å; S360-Q372 WeakPolarHBondContact OG-CB 3.28Å; S360-Q372 PolarHBondContact OG-O 3.28Å; T362-Q372 HydrophobicContact CG2-CB 3.5Å; T362-Q372 HydrophobicContact CG2-CG 3.65Å
373N59.6Low51.4Low66 Ų66115.2 Ų115.235%0.35357%0.565SS.*  trans-91114.9171.5-158.4-15.9000108.6E357 M358 G375E357-N373 WeakPolarHBondContact CB-ND2 3.24Å; E357-N373 PolarHBondContact O-OD1 3.16Å; E357-N373 PolarHBondContact OE2-ND2 3.23Å; M358-N373 HydrophobicContact CE-CB 3.93Å; M358-N373 HydrophobicContact SD-CB 3.9Å; M358-N373 PolarHBondContact SD-N 2.84Å; N373-G375 PolarHBondContact O-N 3.35Å
374F55.2Low51.9Low123 Ų123111.4 Ų111.454%0.53956%0.559SS.*  trans-9292.4166.7-88.3-84.6000106.7H376F374-H376 PolarHBondContact O-N 3.35Å
375G47.8Very low52.6Low66 Ų66117.3 Ų117.368%0.6858%0.582SS**  trans-61.3122.1174.300000110.8N373N373-G375 PolarHBondContact O-N 3.35Å
376H41.5Very low53.8Low255 Ų255113.7 Ų113.7100%1.18156%0.562SS**  trans-127.20157.9-85.6-44.8000109.3F374F374-H376 PolarHBondContact O-N 3.35Å

Retrieved 376 of 376 residues in 612.3 ms (Link to these results)

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