| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 40.3 | Very low | 49.2 | Very low | 142 Ų | 142 | 87.2 Ų | 87.2 | 70% | 0.7 | 40% | 0.4 | S | S | * | . | 0 | -57.4 | 0 | -144.1 | 170.6 | 96.6 | 0 | 0 | 111.2 | F3 F5 H215 | M1-F3 VanDerWaalsContact C-N 3.34Å; M1-F3 PolarHBondContact O-N 3.17Å; M1-F5 HydrophobicContact CB-CD2 4.33Å; M1-F5 HydrophobicContact CG-CD2 3.37Å; M1-F5 HydrophobicContact CG-CE2 3.33Å; M1-F5 HydrophobicContact CG-CG 4.4Å; M1-F5 HydrophobicContact CG-CZ 4.36Å; M1-F5 WeakPolarHBondContact O-CB 3.35Å; M1-F5 VanDerWaalsContact O-CD2 3.23Å; M1-F5 WeakPolarHBondContact O-CD2 3.44Å; M1-F5 PolarHBondContact O-N 2.98Å; M1-F5 HydrophobicContact SD-CE2 4.18Å; M1-H215 PolarHBondContact N-CE1 2.78Å; M1-H215 PolarHBondContact N-NE2 3.4Å | |||
| 2 | I | 38.5 | Very low | 50 | Low | 137 Ų | 137 | 91.2 Ų | 91.2 | 70% | 0.703 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -50.3 | -47.2 | -179.2 | -69.1 | 175.2 | 0 | 0 | 0 | 113 | L6 | I2-L6 HydrophobicContact CG2-CD1 3.38Å; I2-L6 WeakPolarHBondContact O-CA 3.36Å; I2-L6 WeakPolarHBondContact O-CB 3.45Å; I2-L6 WeakPolarHBondContact O-CD1 3.49Å; I2-L6 PolarHBondContact O-N 3.04Å |
| 3 | F | 38.9 | Very low | 50.4 | Low | 68 Ų | 68 | 93.2 Ų | 93.2 | 30% | 0.298 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -73.3 | -47.1 | -173.1 | -167.2 | -95 | 0 | 0 | 0 | 115.2 | M1 L6 I7 V256 | M1-F3 VanDerWaalsContact C-N 3.34Å; M1-F3 PolarHBondContact O-N 3.17Å; F3-L6 WeakPolarHBondContact O-CB 3.36Å; F3-L6 PolarHBondContact O-N 3.46Å; F3-I7 HydrophobicContact CD1-CD1 3.81Å; F3-I7 HydrophobicContact CE1-CD1 3.44Å; F3-I7 VanDerWaalsContact CE1-CD1 3.44Å; F3-I7 HydrophobicContact CE1-CG1 4.48Å; F3-I7 HydrophobicContact CZ-CD1 4.08Å; F3-I7 WeakPolarHBondContact O-CG1 2.78Å; F3-I7 PolarHBondContact O-N 3.13Å; F3-V256 HydrophobicContact CE1-CG1 4.44Å; F3-V256 HydrophobicContact CE2-CG1 3.6Å; F3-V256 HydrophobicContact CE2-CG2 4.29Å; F3-V256 HydrophobicContact CZ-CG1 3.24Å |
| 4 | V | 46.9 | Very low | 50.7 | Low | 40 Ų | 40 | 87.7 Ų | 87.7 | 24% | 0.242 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -69.2 | -37.5 | 175.5 | 178.1 | 0 | 0 | 0 | 0 | 111.1 | I7 R8 L232 | V4-I7 PolarHBondContact O-N 3.44Å; V4-R8 WeakPolarHBondContact O-CB 3.05Å; V4-R8 PolarHBondContact O-N 3.44Å; V4-L232 HydrophobicContact CG2-CD2 4.42Å |
| 5 | F | 50.3 | Low | 50.7 | Low | 114 Ų | 114 | 89.6 Ų | 89.6 | 50% | 0.5 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -66 | -38.2 | 170.1 | -83.5 | -97.1 | 0 | 0 | 0 | 110.9 | M1 R8 W9 | M1-F5 HydrophobicContact CB-CD2 4.33Å; M1-F5 HydrophobicContact CG-CD2 3.37Å; M1-F5 HydrophobicContact CG-CE2 3.33Å; M1-F5 HydrophobicContact CG-CG 4.4Å; M1-F5 HydrophobicContact CG-CZ 4.36Å; M1-F5 WeakPolarHBondContact O-CB 3.35Å; M1-F5 VanDerWaalsContact O-CD2 3.23Å; M1-F5 WeakPolarHBondContact O-CD2 3.44Å; M1-F5 PolarHBondContact O-N 2.98Å; M1-F5 HydrophobicContact SD-CE2 4.18Å; F5-R8 CarbonylContact O-C 3.57Å; F5-R8 PolarHBondContact O-N 2.85Å; F5-W9 WeakPolarHBondContact O-CA 3.34Å; F5-W9 WeakPolarHBondContact O-CB 3.31Å; F5-W9 PolarHBondContact O-N 2.87Å |
| 6 | L | 49.9 | Very low | 50.7 | Low | 80 Ų | 80 | 91.3 Ų | 91.3 | 42% | 0.419 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62.3 | -45.6 | 175.5 | -104.3 | 141 | 0 | 0 | 0 | 110.7 | I2 F3 R8 W9 I10 | I2-L6 HydrophobicContact CG2-CD1 3.38Å; I2-L6 WeakPolarHBondContact O-CA 3.36Å; I2-L6 WeakPolarHBondContact O-CB 3.45Å; I2-L6 WeakPolarHBondContact O-CD1 3.49Å; I2-L6 PolarHBondContact O-N 3.04Å; F3-L6 WeakPolarHBondContact O-CB 3.36Å; F3-L6 PolarHBondContact O-N 3.46Å; L6-R8 PolarHBondContact O-N 3.15Å; L6-W9 PolarHBondContact O-N 3.47Å; L6-I10 HydrophobicContact CB-CD1 4.34Å; L6-I10 HydrophobicContact CD2-CD1 3.72Å; L6-I10 HydrophobicContact CD2-CG1 4.16Å; L6-I10 WeakPolarHBondContact O-CA 3.21Å; L6-I10 WeakPolarHBondContact O-CB 3.43Å; L6-I10 WeakPolarHBondContact O-CD1 3.29Å; L6-I10 WeakPolarHBondContact O-CG1 3.28Å; L6-I10 PolarHBondContact O-N 3.38Å |
| 7 | I | 56.1 | Low | 50.6 | Low | 30 Ų | 30 | 90.5 Ų | 90.5 | 15% | 0.154 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -63.8 | -43.4 | 178.2 | -67.5 | 168.1 | 0 | 0 | 0 | 110.8 | F3 V4 G11 M238 L241 | F3-I7 HydrophobicContact CD1-CD1 3.81Å; F3-I7 HydrophobicContact CE1-CD1 3.44Å; F3-I7 VanDerWaalsContact CE1-CD1 3.44Å; F3-I7 HydrophobicContact CE1-CG1 4.48Å; F3-I7 HydrophobicContact CZ-CD1 4.08Å; F3-I7 WeakPolarHBondContact O-CG1 2.78Å; F3-I7 PolarHBondContact O-N 3.13Å; V4-I7 PolarHBondContact O-N 3.44Å; I7-G11 PolarHBondContact O-N 3.14Å; I7-M238 HydrophobicContact CG2-CE 3.54Å; I7-L241 HydrophobicContact CG2-CD1 4.45Å; I7-L241 HydrophobicContact CG2-CD2 3.8Å |
| 8 | R | 54.1 | Low | 50.6 | Low | 130 Ų | 130 | 89.1 Ų | 89.1 | 49% | 0.491 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -66.8 | -37.2 | 175.1 | -81.7 | -174.2 | 154.6 | 175.6 | -4 | 113.1 | V4 F5 L6 G11 Y12 | V4-R8 WeakPolarHBondContact O-CB 3.05Å; V4-R8 PolarHBondContact O-N 3.44Å; F5-R8 CarbonylContact O-C 3.57Å; F5-R8 PolarHBondContact O-N 2.85Å; L6-R8 PolarHBondContact O-N 3.15Å; R8-G11 PolarHBondContact O-N 3.1Å; R8-Y12 VanDerWaalsContact O-CB 3.31Å; R8-Y12 WeakPolarHBondContact O-CB 3.45Å; R8-Y12 PolarHBondContact O-N 3.2Å |
| 9 | W | 54.9 | Low | 50.3 | Low | 167 Ų | 167 | 92.5 Ų | 92.5 | 63% | 0.633 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -78.6 | -38 | -176.8 | -157.8 | 84.5 | 0 | 0 | 0 | 111 | F5 L6 Y12 F13 | F5-W9 WeakPolarHBondContact O-CA 3.34Å; F5-W9 WeakPolarHBondContact O-CB 3.31Å; F5-W9 PolarHBondContact O-N 2.87Å; L6-W9 PolarHBondContact O-N 3.47Å; W9-Y12 PolarHBondContact O-N 2.94Å; W9-F13 VanDerWaalsContact O-CB 3.25Å; W9-F13 WeakPolarHBondContact O-CB 3.45Å; W9-F13 PolarHBondContact O-N 3.33Å |
| 10 | I | 56.4 | Low | 50.1 | Low | 50 Ų | 50 | 91.4 Ų | 91.4 | 26% | 0.256 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61.2 | -47.9 | 166.7 | -68.6 | 164.7 | 0 | 0 | 0 | 108.7 | L6 Y12 F13 C14 L241 V245 | L6-I10 HydrophobicContact CB-CD1 4.34Å; L6-I10 HydrophobicContact CD2-CD1 3.72Å; L6-I10 HydrophobicContact CD2-CG1 4.16Å; L6-I10 WeakPolarHBondContact O-CA 3.21Å; L6-I10 WeakPolarHBondContact O-CB 3.43Å; L6-I10 WeakPolarHBondContact O-CD1 3.29Å; L6-I10 WeakPolarHBondContact O-CG1 3.28Å; L6-I10 PolarHBondContact O-N 3.38Å; I10-Y12 VanDerWaalsContact C-N 3.32Å; I10-Y12 PolarHBondContact O-N 3.17Å; I10-F13 PolarHBondContact O-N 3.34Å; I10-C14 VanDerWaalsContact O-CB 3.24Å; I10-C14 WeakPolarHBondContact O-CB 3.23Å; I10-C14 PolarHBondContact O-N 3.49Å; I10-C14 PolarHBondContact O-SG 3.45Å; I10-L241 HydrophobicContact CG2-CD1 4.48Å; I10-V245 HydrophobicContact CG2-CG1 4.29Å; I10-V245 HydrophobicContact CG2-CG2 3.54Å |
| 11 | G | 55 | Low | 49.9 | Very low | 1 Ų | 1 | 88.4 Ų | 88.4 | 1% | 0.01 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -57.6 | -42.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | I7 R8 C14 F15 | I7-G11 PolarHBondContact O-N 3.14Å; R8-G11 PolarHBondContact O-N 3.1Å; G11-C14 PolarHBondContact O-N 3.34Å; G11-F15 PolarHBondContact O-N 3.25Å |
| 12 | Y | 58.3 | Low | 50.2 | Low | 135 Ų | 135 | 86.8 Ų | 86.8 | 53% | 0.529 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -68.4 | -42.8 | 176.7 | -172.9 | -93.4 | 0 | 0 | 0 | 112.6 | R8 W9 I10 C14 F15 H16 | R8-Y12 VanDerWaalsContact O-CB 3.31Å; R8-Y12 WeakPolarHBondContact O-CB 3.45Å; R8-Y12 PolarHBondContact O-N 3.2Å; W9-Y12 PolarHBondContact O-N 2.94Å; I10-Y12 VanDerWaalsContact C-N 3.32Å; I10-Y12 PolarHBondContact O-N 3.17Å; Y12-C14 VanDerWaalsContact C-N 3.3Å; Y12-C14 PolarHBondContact O-N 3.21Å; Y12-F15 VanDerWaalsContact O-CB 3.26Å; Y12-F15 WeakPolarHBondContact O-CB 3.43Å; Y12-F15 PolarHBondContact O-N 2.93Å; Y12-F15 VanDerWaalsContact O-N 3.11Å; Y12-H16 AromaticContact CE1-CD2 3.9Å; Y12-H16 AromaticContact CE1-NE2 3.74Å; Y12-H16 AromaticContact CZ-NE2 3.92Å; Y12-H16 PolarHBondContact O-N 3.35Å |
| 13 | F | 55 | Low | 50.5 | Low | 117 Ų | 117 | 84.9 Ų | 84.9 | 51% | 0.513 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -66 | -36.7 | 176 | -161.4 | -95 | 0 | 0 | 0 | 110.9 | W9 I10 F15 H16 L17 | W9-F13 VanDerWaalsContact O-CB 3.25Å; W9-F13 WeakPolarHBondContact O-CB 3.45Å; W9-F13 PolarHBondContact O-N 3.33Å; I10-F13 PolarHBondContact O-N 3.34Å; F13-F15 VanDerWaalsContact C-N 3.31Å; F13-F15 PolarHBondContact O-N 3.33Å; F13-H16 WeakPolarHBondContact O-CB 3.46Å; F13-H16 PolarHBondContact O-N 2.96Å; F13-L17 HydrophobicContact CD1-CD1 4.02Å; F13-L17 HydrophobicContact CE1-CD1 4.28Å; F13-L17 PolarHBondContact O-N 3.45Å; F13-L17 VanDerWaalsContact O-N 3.15Å |
| 14 | C | 54.6 | Low | 51.1 | Low | 17 Ų | 17 | 87.8 Ų | 87.8 | 12% | 0.115 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -67.2 | -29.7 | 171.7 | -71.8 | 0 | 0 | 0 | 0 | 112.8 | I10 G11 Y12 H16 L17 N18 I240 V245 | I10-C14 VanDerWaalsContact O-CB 3.24Å; I10-C14 WeakPolarHBondContact O-CB 3.23Å; I10-C14 PolarHBondContact O-N 3.49Å; I10-C14 PolarHBondContact O-SG 3.45Å; G11-C14 PolarHBondContact O-N 3.34Å; Y12-C14 VanDerWaalsContact C-N 3.3Å; Y12-C14 PolarHBondContact O-N 3.21Å; C14-H16 PolarHBondContact O-N 3.12Å; C14-L17 CarbonylContact O-C 3.5Å; C14-L17 WeakPolarHBondContact O-CA 3.26Å; C14-L17 WeakPolarHBondContact O-CB 3.43Å; C14-L17 PolarHBondContact O-N 3.02Å; C14-N18 PolarHBondContact O-N 3.33Å; C14-N18 VanDerWaalsContact O-N 3.08Å; C14-I240 HydrophobicContact CB-CG2 4.07Å; C14-V245 VanDerWaalsContact SG-CG2 3.59Å |
| 15 | F | 51.1 | Low | 51.1 | Low | 116 Ų | 116 | 90.2 Ų | 90.2 | 51% | 0.509 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.5 | -36.1 | 171.8 | -167.2 | -95.4 | 0 | 0 | 0 | 111.5 | G11 Y12 F13 L17 N18 I240 | G11-F15 PolarHBondContact O-N 3.25Å; Y12-F15 VanDerWaalsContact O-CB 3.26Å; Y12-F15 WeakPolarHBondContact O-CB 3.43Å; Y12-F15 PolarHBondContact O-N 2.93Å; Y12-F15 VanDerWaalsContact O-N 3.11Å; F13-F15 VanDerWaalsContact C-N 3.31Å; F13-F15 PolarHBondContact O-N 3.33Å; F15-L17 VanDerWaalsContact C-N 3.34Å; F15-N18 WeakPolarHBondContact O-CB 3.47Å; F15-N18 PolarHBondContact O-N 3.38Å; F15-N18 PolarHBondContact O-ND2 3.12Å; F15-I240 HydrophobicContact CD2-CD1 4.3Å |
| 16 | H | 51 | Low | 51.4 | Low | 116 Ų | 116 | 89.3 Ų | 89.3 | 54% | 0.537 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -72.4 | -26.3 | 170.8 | -77.1 | -68 | 0 | 0 | 0 | 113.3 | Y12 F13 C14 N18 | Y12-H16 AromaticContact CE1-CD2 3.9Å; Y12-H16 AromaticContact CE1-NE2 3.74Å; Y12-H16 AromaticContact CZ-NE2 3.92Å; Y12-H16 PolarHBondContact O-N 3.35Å; F13-H16 WeakPolarHBondContact O-CB 3.46Å; F13-H16 PolarHBondContact O-N 2.96Å; C14-H16 PolarHBondContact O-N 3.12Å; H16-N18 VanDerWaalsContact C-N 3.29Å; H16-N18 PolarHBondContact O-N 2.84Å |
| 17 | L | 49.6 | Very low | 52.2 | Low | 79 Ų | 79 | 94.6 Ų | 94.6 | 41% | 0.414 | 49% | 0.489 | S | S | . | . | G | 310 helix | trans | -77.8 | -3.6 | 170.9 | -72 | 159.1 | 0 | 0 | 0 | 114.1 | F13 C14 F15 L19 V20 G21 | F13-L17 HydrophobicContact CD1-CD1 4.02Å; F13-L17 HydrophobicContact CE1-CD1 4.28Å; F13-L17 PolarHBondContact O-N 3.45Å; F13-L17 VanDerWaalsContact O-N 3.15Å; C14-L17 CarbonylContact O-C 3.5Å; C14-L17 WeakPolarHBondContact O-CA 3.26Å; C14-L17 WeakPolarHBondContact O-CB 3.43Å; C14-L17 PolarHBondContact O-N 3.02Å; F15-L17 VanDerWaalsContact C-N 3.34Å; L17-L19 PolarHBondContact O-N 3.34Å; L17-V20 HydrophobicContact CD2-CB 4.39Å; L17-V20 HydrophobicContact CD2-CG2 3.92Å; L17-V20 PolarHBondContact O-N 3.23Å; L17-G21 PolarHBondContact O-N 2.96Å |
| 18 | N | 49.4 | Very low | 53.1 | Low | 65 Ų | 65 | 96.6 Ų | 96.6 | 35% | 0.348 | 50% | 0.499 | S | S | . | . | G | 310 helix | trans | -57.9 | -12.2 | 171.2 | -86.3 | -48.4 | 0 | 0 | 0 | 113 | C14 F15 H16 Y244 | C14-N18 PolarHBondContact O-N 3.33Å; C14-N18 VanDerWaalsContact O-N 3.08Å; F15-N18 WeakPolarHBondContact O-CB 3.47Å; F15-N18 PolarHBondContact O-N 3.38Å; F15-N18 PolarHBondContact O-ND2 3.12Å; H16-N18 VanDerWaalsContact C-N 3.29Å; H16-N18 PolarHBondContact O-N 2.84Å; N18-Y244 WeakPolarHBondContact OD1-CE2 3.38Å; N18-Y244 VanDerWaalsContact OD1-CZ 3.31Å; N18-Y244 PolarHBondContact OD1-OH 2.89Å |
| 19 | L | 46.1 | Very low | 54.6 | Low | 154 Ų | 154 | 92.8 Ų | 92.8 | 81% | 0.806 | 49% | 0.489 | S | S | * | . | G | 310 helix | trans | -79.8 | -13.2 | 169.8 | -84.7 | 154.2 | 0 | 0 | 0 | 114.7 | L17 | L17-L19 PolarHBondContact O-N 3.34Š|
| 20 | V | 46.1 | Very low | 56.2 | Low | 70 Ų | 70 | 87.5 Ų | 87.5 | 42% | 0.424 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | -19.5 | -175.4 | -168.2 | 0 | 0 | 0 | 0 | 112.3 | L17 S22 T23 | L17-V20 HydrophobicContact CD2-CB 4.39Å; L17-V20 HydrophobicContact CD2-CG2 3.92Å; L17-V20 PolarHBondContact O-N 3.23Å; V20-S22 PolarHBondContact O-N 3.11Å; V20-S22 VanDerWaalsContact O-N 3.14Å; V20-T23 PolarHBondContact O-N 3.28Å; V20-T23 PolarHBondContact O-OG1 3.4Å |
| 21 | G | 44.9 | Very low | 57.9 | Low | 28 Ų | 28 | 85.3 Ų | 85.3 | 29% | 0.289 | 46% | 0.464 | S | S | . | . | G | 310 helix | trans | -64.8 | -18 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | L17 T23 | L17-G21 PolarHBondContact O-N 2.96Å; G21-T23 PolarHBondContact O-N 3.37Å |
| 22 | S | 46.4 | Very low | 59.6 | Low | 109 Ų | 109 | 85.4 Ų | 85.4 | 76% | 0.762 | 47% | 0.465 | S | S | * | . | G | 310 helix | trans | -74.4 | -9.6 | 176.3 | 53.5 | 0 | 0 | 0 | 0 | 113.8 | V20 | V20-S22 PolarHBondContact O-N 3.11Å; V20-S22 VanDerWaalsContact O-N 3.14Å |
| 23 | T | 44.9 | Very low | 61.1 | Low | 96 Ų | 96 | 84.4 Ų | 84.4 | 59% | 0.589 | 46% | 0.461 | S | S | * | . | G | 310 helix | trans | -97 | -4 | -177.1 | 59.7 | 0 | 0 | 0 | 0 | 114.8 | V20 G21 | V20-T23 PolarHBondContact O-N 3.28Å; V20-T23 PolarHBondContact O-OG1 3.4Å; G21-T23 PolarHBondContact O-N 3.37Å |
| 24 | F | 51.2 | Low | 63 | Low | 129 Ų | 129 | 80.9 Ų | 80.9 | 57% | 0.566 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -124.3 | 103.3 | 178.8 | -67.2 | -82.8 | 0 | 0 | 0 | 109.4 | I26 F248 | F24-I26 PolarHBondContact O-N 2.97Å; F24-F248 HydrophobicContact CB-CE1 4.14Å; F24-F248 HydrophobicContact CB-CZ 4.43Å |
| 25 | G | 48.2 | Very low | 64.9 | Low | 92 Ų | 92 | 82.8 Ų | 82.8 | 95% | 0.948 | 46% | 0.456 | S | S | * | . | trans | -68.6 | 56.4 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 26 | I | 55.7 | Low | 67.1 | Low | 94 Ų | 94 | 77.3 Ų | 77.3 | 48% | 0.482 | 43% | 0.431 | S | S | . | . | trans | -84.6 | 119.5 | 172.2 | -58.7 | -176.9 | 0 | 0 | 0 | 108.3 | F24 I28 F248 | F24-I26 PolarHBondContact O-N 2.97Å; I26-I28 PolarHBondContact O-N 2.61Å; I26-I28 VanDerWaalsContact O-N 3.15Å; I26-F248 HydrophobicContact CD1-CD1 3.71Å; I26-F248 HydrophobicContact CD1-CE1 3.37Å; I26-F248 HydrophobicContact CD1-CZ 4.29Å; I26-F248 HydrophobicContact CG1-CE1 4.37Å | ||
| 27 | E | 68 | Low | 69.3 | Low | 191 Ų | 191 | 71.8 Ų | 71.8 | 89% | 0.893 | 41% | 0.406 | S | S | * | . | trans | -68.3 | 107.7 | 171 | -166.2 | 172.5 | -174.1 | 0 | 0 | 108.7 | ||||
| 28 | I | 74.3 | Confident | 71.6 | Confident | 72 Ų | 72 | 72.1 Ų | 72.1 | 37% | 0.369 | 41% | 0.405 | S | S | . | . | trans | -78.4 | 130.4 | -177.7 | -66.3 | 137.7 | 0 | 0 | 0 | 108.9 | I26 P30 I32 K243 | I26-I28 PolarHBondContact O-N 2.61Å; I26-I28 VanDerWaalsContact O-N 3.15Å; I28-P30 VanDerWaalsContact O-CD 3.28Å; I28-P30 WeakPolarHBondContact O-CD 3.36Å; I28-P30 VanDerWaalsContact O-N 3.14Å; I28-I32 HydrophobicContact CG2-CD1 3.85Å; I28-K243 HydrophobicContact CD1-CD 4.45Å; I28-K243 HydrophobicContact CG1-CG 4.37Å; I28-K243 HydrophobicContact CG2-CD 4.42Å; I28-K243 HydrophobicContact CG2-CG 4.27Å | ||
| 29 | D | 85.4 | Confident | 73.8 | Confident | 50 Ų | 50 | 69 Ų | 69 | 27% | 0.267 | 39% | 0.389 | S | S | . | . | trans | -60.4 | 115.6 | 177 | -165.9 | -30.2 | 0 | 0 | 0 | 110.4 | E31 I32 R272 | D29-E31 PolarHBondContact O-N 2.84Å; D29-E31 VanDerWaalsContact O-N 3.13Å; D29-E31 VanDerWaalsContact OD1-CB 3.29Å; D29-E31 WeakPolarHBondContact OD1-CB 3.15Å; D29-E31 WeakPolarHBondContact OD1-CG 3.46Å; D29-E31 PolarHBondContact OD1-N 2.83Å; D29-I32 WeakPolarHBondContact O-CB 3.04Å; D29-I32 WeakPolarHBondContact O-CG1 3.48Å; D29-I32 PolarHBondContact O-N 3.03Å; D29-I32 VanDerWaalsContact O-N 3.15Å; D29-R272 IonicContact OD2-CZ 3.37Å; D29-R272 IonicContact OD2-NH1 3.39Å; D29-R272 PolarHBondContact OD2-NH1 3.43Å | ||
| 30 | P | 89.1 | Confident | 76.3 | Confident | 56 Ų | 56 | 61.7 Ų | 61.7 | 36% | 0.364 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | -62.5 | -19 | -179.2 | 26.7 | -37.1 | 0 | 0 | 0 | 113.3 | I28 I32 Y33 M34 | I28-P30 VanDerWaalsContact O-CD 3.28Å; I28-P30 WeakPolarHBondContact O-CD 3.36Å; I28-P30 VanDerWaalsContact O-N 3.14Å; P30-I32 PolarHBondContact O-N 3.41Å; P30-I32 VanDerWaalsContact O-N 3.14Å; P30-Y33 PolarHBondContact O-N 2.95Å; P30-M34 HydrophobicContact CB-CE 4.36Å |
| 31 | E | 92 | Very high | 78.7 | Confident | 4 Ų | 4 | 64.7 Ų | 64.7 | 2% | 0.019 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -61.1 | -18.7 | 175.6 | -66 | -178.2 | 169.1 | 0 | 0 | 112.5 | D29 Y33 M34 I39 Q43 R272 L275 H279 | D29-E31 PolarHBondContact O-N 2.84Å; D29-E31 VanDerWaalsContact O-N 3.13Å; D29-E31 VanDerWaalsContact OD1-CB 3.29Å; D29-E31 WeakPolarHBondContact OD1-CB 3.15Å; D29-E31 WeakPolarHBondContact OD1-CG 3.46Å; D29-E31 PolarHBondContact OD1-N 2.83Å; E31-Y33 PolarHBondContact O-N 3.39Å; E31-Y33 VanDerWaalsContact O-N 3.14Å; E31-M34 HydrophobicContact CG-SD 4.22Å; E31-M34 PolarHBondContact O-N 3.13Å; E31-M34 VanDerWaalsContact O-N 3.17Å; E31-I39 HydrophobicContact CB-CD1 4.34Å; E31-I39 HydrophobicContact CB-CG1 4.12Å; E31-I39 HydrophobicContact CG-CG1 4.23Å; E31-Q43 PolarHBondContact OE1-NE2 3.24Å; E31-R272 IonicContact OE2-CZ 3.97Å; E31-R272 VanDerWaalsContact OE2-CZ 3.29Å; E31-R272 IonicContact OE2-NH1 2.7Å; E31-R272 PolarHBondContact OE2-NH1 3.35Å; E31-R272 IonicContact OE2-NH2 3.88Å; E31-R272 PolarHBondContact OE2-NH2 3.39Å; E31-L275 HydrophobicContact CB-CD1 3.58Å; E31-L275 HydrophobicContact CB-CD2 3.92Å; E31-L275 HydrophobicContact CB-CG 4.4Å; E31-L275 WeakPolarHBondContact O-CD1 3.39Å; E31-L275 WeakPolarHBondContact OE2-CD2 3.3Å; E31-H279 PolarHBondContact O-NE2 3.4Å |
| 32 | I | 90.1 | Very high | 81 | Confident | 3 Ų | 3 | 69.6 Ų | 69.6 | 2% | 0.015 | 36% | 0.364 | C | S | . | . | G | 310 helix | trans | -57.5 | -28.7 | 175.7 | -75.2 | 173.6 | 0 | 0 | 0 | 112.3 | I28 D29 P30 P274 L275 A278 | I28-I32 HydrophobicContact CG2-CD1 3.85Å; D29-I32 WeakPolarHBondContact O-CB 3.04Å; D29-I32 WeakPolarHBondContact O-CG1 3.48Å; D29-I32 PolarHBondContact O-N 3.03Å; D29-I32 VanDerWaalsContact O-N 3.15Å; P30-I32 PolarHBondContact O-N 3.41Å; P30-I32 VanDerWaalsContact O-N 3.14Å; I32-P274 HydrophobicContact CD1-CB 4.44Å; I32-L275 HydrophobicContact CB-CD1 4.37Å; I32-L275 HydrophobicContact CG1-CB 4.25Å; I32-L275 HydrophobicContact CG1-CD1 3.83Å; I32-L275 VanDerWaalsContact N-CD1 3.26Å; I32-A278 HydrophobicContact CB-CB 4.31Å; I32-A278 HydrophobicContact CG1-CB 4.15Å; I32-A278 HydrophobicContact CG2-CB 3.83Å |
| 33 | Y | 91.2 | Very high | 83.3 | Confident | 114 Ų | 114 | 67 Ų | 67 | 45% | 0.447 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -106.8 | -4.8 | -177.4 | -58.5 | -70.2 | 0 | 0 | 0 | 113.6 | P30 E31 K239 K243 | P30-Y33 PolarHBondContact O-N 2.95Å; E31-Y33 PolarHBondContact O-N 3.39Å; E31-Y33 VanDerWaalsContact O-N 3.14Å; Y33-K239 HydrophobicContact CD1-CD 4.1Å; Y33-K239 HydrophobicContact CE1-CD 4.33Å; Y33-K243 VanDerWaalsContact OH-CD 3.32Å; Y33-K243 WeakPolarHBondContact OH-CD 3.4Å; Y33-K243 PolarHBondContact OH-NZ 3.3Å |
| 34 | M | 94.3 | Very high | 85.7 | Confident | 44 Ų | 44 | 65.7 Ų | 65.7 | 22% | 0.217 | 35% | 0.345 | C | S | . | . | trans | -84.1 | 146.9 | -179 | -70.4 | -177.6 | 175.5 | 0 | 0 | 111.2 | P30 E31 E38 I39 R42 H279 | P30-M34 HydrophobicContact CB-CE 4.36Å; E31-M34 HydrophobicContact CG-SD 4.22Å; E31-M34 PolarHBondContact O-N 3.13Å; E31-M34 VanDerWaalsContact O-N 3.17Å; M34-E38 WeakPolarHBondContact CA-OE2 3.37Å; M34-E38 HydrophobicContact CB-CB 3.82Å; M34-E38 HydrophobicContact CG-CB 4.07Å; M34-E38 HydrophobicContact SD-CB 4.31Å; M34-I39 HydrophobicContact CB-CD1 4.37Å; M34-I39 HydrophobicContact CB-CG1 3.69Å; M34-R42 VanDerWaalsContact CE-NH1 3.27Å; M34-H279 PolarHBondContact O-CE1 2.79Å | ||
| 35 | N | 94.8 | Very high | 87.9 | Confident | 57 Ų | 57 | 60 Ų | 60 | 31% | 0.305 | 32% | 0.32 | S | S | . | . | trans | -76.5 | 168.2 | 163.2 | 66.7 | 54.7 | 0 | 0 | 0 | 110.7 | S37 E38 I39 | N35-S37 VanDerWaalsContact C-N 3.27Å; N35-S37 PolarHBondContact O-N 3.11Å; N35-S37 WeakPolarHBondContact OD1-CA 3.37Å; N35-S37 WeakPolarHBondContact OD1-CB 3.37Å; N35-S37 PolarHBondContact OD1-N 3.47Å; N35-E38 PolarHBondContact N-OE2 3.2Å; N35-E38 VanDerWaalsContact ND2-CD 3.32Å; N35-E38 PolarHBondContact ND2-OE2 2.85Å; N35-E38 WeakPolarHBondContact O-CB 3.35Å; N35-E38 PolarHBondContact O-N 2.92Å; N35-E38 VanDerWaalsContact O-N 3.11Å; N35-E38 WeakPolarHBondContact OD1-CG 3.26Å; N35-E38 PolarHBondContact OD1-N 3.31Å; N35-I39 WeakPolarHBondContact O-CG1 3.29Å; N35-I39 PolarHBondContact O-N 3.18Å | ||
| 36 | I | 96.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.7 | -37.6 | -176.3 | -169 | 171.5 | 0 | 0 | 0 | 112.7 | I39 I40 I63 S88 V92 L113 Y121 | I36-I39 PolarHBondContact O-N 3.38Å; I36-I40 HydrophobicContact CD1-CD1 4.33Å; I36-I40 HydrophobicContact CG1-CD1 3.8Å; I36-I40 HydrophobicContact CG1-CG1 4.29Å; I36-I40 WeakPolarHBondContact O-CB 3.37Å; I36-I40 VanDerWaalsContact O-CG1 3.23Å; I36-I40 WeakPolarHBondContact O-CG1 3.42Å; I36-I40 PolarHBondContact O-N 2.76Å; I36-I63 HydrophobicContact CD1-CG1 4.34Å; I36-I63 HydrophobicContact CG2-CD1 3.68Å; I36-I63 HydrophobicContact CG2-CG1 3.74Å; I36-I63 HydrophobicContact CG2-CG2 4.46Å; I36-S88 VanDerWaalsContact CD1-C 3.46Å; I36-S88 VanDerWaalsContact CD1-CB 3.46Å; I36-S88 WeakPolarHBondContact CD1-OG 3.29Å; I36-V92 HydrophobicContact CD1-CG2 3.86Å; I36-V92 HydrophobicContact CG1-CG2 3.86Å; I36-L113 HydrophobicContact CD1-CD1 3.89Å; I36-Y121 HydrophobicContact CB-CE1 4.37Å; I36-Y121 HydrophobicContact CB-CE2 4.39Å; I36-Y121 VanDerWaalsContact CB-OH 3.3Å; I36-Y121 WeakPolarHBondContact CB-OH 3.23Å; I36-Y121 HydrophobicContact CG2-CD1 4.37Å; I36-Y121 HydrophobicContact CG2-CE1 3.62Å; I36-Y121 HydrophobicContact CG2-CE2 4.2Å; I36-Y121 WeakPolarHBondContact CG2-OH 3.47Å; I36-Y121 PolarHBondContact N-OH 2.94Å |
| 37 | S | 97.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -68.5 | -36.4 | 178.8 | -65.4 | 0 | 0 | 0 | 0 | 112.2 | N35 R41 E49 | N35-S37 VanDerWaalsContact C-N 3.27Å; N35-S37 PolarHBondContact O-N 3.11Å; N35-S37 WeakPolarHBondContact OD1-CA 3.37Å; N35-S37 WeakPolarHBondContact OD1-CB 3.37Å; N35-S37 PolarHBondContact OD1-N 3.47Å; S37-R41 WeakPolarHBondContact O-CB 3.38Å; S37-R41 VanDerWaalsContact O-CG 3.26Å; S37-R41 WeakPolarHBondContact O-CG 3.42Å; S37-R41 PolarHBondContact O-N 2.7Å; S37-E49 WeakPolarHBondContact CB-OE1 3.44Å; S37-E49 WeakPolarHBondContact OG-CG 3.38Å; S37-E49 PolarHBondContact OG-OE1 3.47Å |
| 38 | E | 97.2 | Very high | 93.6 | Very high | 86 Ų | 86 | 49 Ų | 49 | 40% | 0.402 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -65.4 | -44.4 | 172.4 | -71.2 | 169 | 151.4 | 0 | 0 | 111.4 | M34 N35 R41 R42 | M34-E38 WeakPolarHBondContact CA-OE2 3.37Å; M34-E38 HydrophobicContact CB-CB 3.82Å; M34-E38 HydrophobicContact CG-CB 4.07Å; M34-E38 HydrophobicContact SD-CB 4.31Å; N35-E38 PolarHBondContact N-OE2 3.2Å; N35-E38 VanDerWaalsContact ND2-CD 3.32Å; N35-E38 PolarHBondContact ND2-OE2 2.85Å; N35-E38 WeakPolarHBondContact O-CB 3.35Å; N35-E38 PolarHBondContact O-N 2.92Å; N35-E38 VanDerWaalsContact O-N 3.11Å; N35-E38 WeakPolarHBondContact OD1-CG 3.26Å; N35-E38 PolarHBondContact OD1-N 3.31Å; E38-R41 PolarHBondContact O-N 2.95Å; E38-R42 VanDerWaalsContact O-CB 3.29Å; E38-R42 WeakPolarHBondContact O-CB 3.49Å; E38-R42 PolarHBondContact O-N 2.8Å |
| 39 | I | 96.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.1 | -50 | 175.4 | -64.2 | 170.7 | 0 | 0 | 0 | 109.8 | E31 M34 N35 I36 R41 R42 Q43 | E31-I39 HydrophobicContact CB-CD1 4.34Å; E31-I39 HydrophobicContact CB-CG1 4.12Å; E31-I39 HydrophobicContact CG-CG1 4.23Å; M34-I39 HydrophobicContact CB-CD1 4.37Å; M34-I39 HydrophobicContact CB-CG1 3.69Å; N35-I39 WeakPolarHBondContact O-CG1 3.29Å; N35-I39 PolarHBondContact O-N 3.18Å; I36-I39 PolarHBondContact O-N 3.38Å; I39-R41 PolarHBondContact O-N 3.14Å; I39-R42 WeakPolarHBondContact O-CB 3.23Å; I39-R42 PolarHBondContact O-N 2.73Å; I39-Q43 WeakPolarHBondContact O-CG 3.32Å; I39-Q43 PolarHBondContact O-N 2.96Å; I39-Q43 VanDerWaalsContact O-N 3.12Å |
| 40 | I | 97.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.6 | -47.3 | 178.8 | -71.8 | 169.4 | 0 | 0 | 0 | 112.2 | I36 R42 Q43 G44 Y45 V47 I63 L65 V92 Y102 L113 | I36-I40 HydrophobicContact CD1-CD1 4.33Å; I36-I40 HydrophobicContact CG1-CD1 3.8Å; I36-I40 HydrophobicContact CG1-CG1 4.29Å; I36-I40 WeakPolarHBondContact O-CB 3.37Å; I36-I40 VanDerWaalsContact O-CG1 3.23Å; I36-I40 WeakPolarHBondContact O-CG1 3.42Å; I36-I40 PolarHBondContact O-N 2.76Å; I40-R42 VanDerWaalsContact C-N 3.32Å; I40-R42 PolarHBondContact O-N 2.8Å; I40-Q43 PolarHBondContact O-N 2.87Å; I40-G44 PolarHBondContact O-N 3.15Å; I40-Y45 PolarHBondContact O-N 3.15Å; I40-V47 HydrophobicContact CB-CB 4.27Å; I40-V47 HydrophobicContact CB-CG2 4.33Å; I40-V47 HydrophobicContact CD1-CG2 3.92Å; I40-V47 HydrophobicContact CG2-CB 3.67Å; I40-V47 HydrophobicContact CG2-CG1 4.31Å; I40-V47 HydrophobicContact CG2-CG2 4.07Å; I40-I63 HydrophobicContact CD1-CG2 3.75Å; I40-L65 HydrophobicContact CB-CD1 4.43Å; I40-L65 HydrophobicContact CD1-CB 4.47Å; I40-L65 HydrophobicContact CD1-CD1 4.35Å; I40-L65 HydrophobicContact CG1-CD1 4.31Å; I40-L65 HydrophobicContact CG2-CD1 3.29Å; I40-V92 HydrophobicContact CD1-CG1 4.5Å; I40-V92 HydrophobicContact CG1-CG1 4.33Å; I40-Y102 WeakPolarHBondContact CA-OH 3.5Å; I40-Y102 HydrophobicContact CB-CE1 4.49Å; I40-Y102 HydrophobicContact CG1-CE1 4.05Å; I40-Y102 HydrophobicContact CG2-CE1 4.43Å; I40-L113 HydrophobicContact CD1-CD1 4.31Å |
| 41 | R | 96.5 | Very high | 95.8 | Very high | 133 Ų | 133 | 52 Ų | 52 | 50% | 0.502 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.7 | -40.3 | 178.1 | -73.7 | 178.7 | -163.7 | 113.1 | 3.1 | 111.7 | S37 E38 I39 Q43 G44 V47 | S37-R41 WeakPolarHBondContact O-CB 3.38Å; S37-R41 VanDerWaalsContact O-CG 3.26Å; S37-R41 WeakPolarHBondContact O-CG 3.42Å; S37-R41 PolarHBondContact O-N 2.7Å; E38-R41 PolarHBondContact O-N 2.95Å; I39-R41 PolarHBondContact O-N 3.14Å; R41-Q43 PolarHBondContact O-N 3.45Å; R41-G44 PolarHBondContact O-N 3.02Å; R41-V47 HydrophobicContact CG-CG1 3.56Å |
| 42 | R | 94.9 | Very high | 96.1 | Very high | 132 Ų | 132 | 52.3 Ų | 52.3 | 50% | 0.498 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60 | -35 | 177.4 | -176.7 | -177.6 | 178.6 | 123.6 | 1.8 | 112 | M34 E38 I39 I40 G44 | M34-R42 VanDerWaalsContact CE-NH1 3.27Å; E38-R42 VanDerWaalsContact O-CB 3.29Å; E38-R42 WeakPolarHBondContact O-CB 3.49Å; E38-R42 PolarHBondContact O-N 2.8Å; I39-R42 WeakPolarHBondContact O-CB 3.23Å; I39-R42 PolarHBondContact O-N 2.73Å; I40-R42 VanDerWaalsContact C-N 3.32Å; I40-R42 PolarHBondContact O-N 2.8Å; R42-G44 PolarHBondContact O-N 3.44Å |
| 43 | Q | 94.7 | Very high | 96.5 | Very high | 54 Ų | 54 | 55.1 Ų | 55.1 | 25% | 0.252 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | 1.6 | 175.8 | -60.5 | -60.7 | -30.6 | 0 | 0 | 113.6 | E31 I39 I40 R41 Y45 Y102 | E31-Q43 PolarHBondContact OE1-NE2 3.24Å; I39-Q43 WeakPolarHBondContact O-CG 3.32Å; I39-Q43 PolarHBondContact O-N 2.96Å; I39-Q43 VanDerWaalsContact O-N 3.12Å; I40-Q43 PolarHBondContact O-N 2.87Å; R41-Q43 PolarHBondContact O-N 3.45Å; Q43-Y45 HydrophobicContact CB-CD2 3.98Å; Q43-Y45 HydrophobicContact CB-CE2 4.23Å; Q43-Y45 WeakPolarHBondContact O-CD2 3.39Å; Q43-Y102 HydrophobicContact CB-CE1 4.16Å; Q43-Y102 HydrophobicContact CB-CE2 4.29Å; Q43-Y102 HydrophobicContact CG-CE2 3.94Å; Q43-Y102 WeakPolarHBondContact CG-OH 3.13Å |
| 44 | G | 95.2 | Very high | 96.9 | Very high | 68 Ų | 68 | 49.9 Ų | 49.9 | 70% | 0.701 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 88.8 | 18.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | I40 R41 R42 | I40-G44 PolarHBondContact O-N 3.15Å; R41-G44 PolarHBondContact O-N 3.02Å; R42-G44 PolarHBondContact O-N 3.44Å |
| 45 | Y | 96.6 | Very high | 97.1 | Very high | 11 Ų | 11 | 51.9 Ų | 51.9 | 4% | 0.043 | 27% | 0.268 | C | S | . | . | trans | -103.5 | 159.5 | 179.8 | -68.6 | -92.2 | 0 | 0 | 0 | 112.8 | I40 Q43 L65 T67 K96 Y102 A105 D106 | I40-Y45 PolarHBondContact O-N 3.15Å; Q43-Y45 HydrophobicContact CB-CD2 3.98Å; Q43-Y45 HydrophobicContact CB-CE2 4.23Å; Q43-Y45 WeakPolarHBondContact O-CD2 3.39Å; Y45-L65 VanDerWaalsContact CB-CD1 3.46Å; Y45-L65 HydrophobicContact CD1-CD1 3.93Å; Y45-L65 HydrophobicContact CD2-CD1 4.47Å; Y45-L65 HydrophobicContact CG-CD1 3.73Å; Y45-T67 HydrophobicContact CD1-CG2 3.75Å; Y45-T67 HydrophobicContact CE1-CG2 3.74Å; Y45-K96 HydrophobicContact CE2-CD 3.99Å; Y45-K96 VanDerWaalsContact CE2-CE 3.48Å; Y45-K96 HydrophobicContact CE2-CG 3.91Å; Y45-K96 WeakPolarHBondContact OH-CE 3.49Å; Y45-K96 WeakPolarHBondContact OH-CG 3.41Å; Y45-Y102 HydrophobicContact CD1-CD1 4.45Å; Y45-Y102 AromaticContact CD2-CD1 3.43Å; Y45-Y102 HydrophobicContact CD2-CD1 3.43Å; Y45-Y102 VanDerWaalsContact CD2-CD1 3.43Å; Y45-Y102 AromaticContact CD2-CE1 3.62Å; Y45-Y102 HydrophobicContact CD2-CE1 3.62Å; Y45-Y102 HydrophobicContact CD2-CG 4.32Å; Y45-Y102 HydrophobicContact CE1-CD1 4.27Å; Y45-Y102 AromaticContact CE2-CD1 3.17Å; Y45-Y102 HydrophobicContact CE2-CD1 3.17Å; Y45-Y102 AromaticContact CE2-CE1 3.79Å; Y45-Y102 HydrophobicContact CE2-CE1 3.79Å; Y45-Y102 AromaticContact CE2-CG 3.64Å; Y45-Y102 HydrophobicContact CE2-CG 3.64Å; Y45-Y102 HydrophobicContact CG-CD1 4.06Å; Y45-Y102 HydrophobicContact CG-CE1 4.3Å; Y45-Y102 AromaticContact CZ-CD1 3.63Å; Y45-Y102 AromaticContact CZ-CG 3.94Å; Y45-Y102 VanDerWaalsContact OH-CB 3.31Å; Y45-Y102 WeakPolarHBondContact OH-CB 3.45Å; Y45-Y102 PolarHBondContact OH-O 3.14Å; Y45-A105 HydrophobicContact CD1-CB 4.01Å; Y45-A105 HydrophobicContact CE1-CB 3.76Å; Y45-D106 WeakPolarHBondContact CE1-OD1 3.48Å; Y45-D106 PolarHBondContact OH-OD1 3.15Å; Y45-D106 PolarHBondContact OH-OD2 2.95Å | ||
| 46 | L | 96.8 | Very high | 97.2 | Very high | 69 Ų | 69 | 51.1 Ų | 51.1 | 36% | 0.361 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 141.6 | 169.2 | -60.2 | 176.1 | 0 | 0 | 0 | 109.4 | Y66 N68 | L46-Y66 HydrophobicContact CB-CD1 4.46Å; L46-Y66 HydrophobicContact CB-CD2 3.77Å; L46-Y66 HydrophobicContact CB-CE1 4.25Å; L46-Y66 HydrophobicContact CB-CE2 3.52Å; L46-Y66 HydrophobicContact CB-CG 4.25Å; L46-Y66 WeakPolarHBondContact CB-O 3.38Å; L46-Y66 HydrophobicContact CD1-CD2 3.85Å; L46-Y66 HydrophobicContact CD1-CE2 3.38Å; L46-Y66 HydrophobicContact CG-CD2 4.42Å; L46-Y66 HydrophobicContact CG-CE2 4.1Å; L46-Y66 PolarHBondContact N-O 3.17Å; L46-Y66 PolarHBondContact O-N 3.46Å; L46-Y66 VanDerWaalsContact O-N 3.07Å; L46-N68 WeakPolarHBondContact CD1-OD1 3.49Å |
| 47 | V | 97.4 | Very high | 97.3 | Very high | 17 Ų | 17 | 53.7 Ų | 53.7 | 10% | 0.103 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 136.4 | -178.9 | 69.4 | 0 | 0 | 0 | 0 | 111.7 | I40 R41 I63 R64 | I40-V47 HydrophobicContact CB-CB 4.27Å; I40-V47 HydrophobicContact CB-CG2 4.33Å; I40-V47 HydrophobicContact CD1-CG2 3.92Å; I40-V47 HydrophobicContact CG2-CB 3.67Å; I40-V47 HydrophobicContact CG2-CG1 4.31Å; I40-V47 HydrophobicContact CG2-CG2 4.07Å; R41-V47 HydrophobicContact CG-CG1 3.56Å; V47-I63 HydrophobicContact CG2-CG2 3.54Å; V47-R64 CarbonylContact C-O 3.45Å; V47-R64 VanDerWaalsContact CA-O 3.25Å; V47-R64 WeakPolarHBondContact CA-O 3.22Å |
| 48 | E | 97.4 | Very high | 97.4 | Very high | 59 Ų | 59 | 54.1 Ų | 54.1 | 28% | 0.276 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 145.5 | 170.1 | -63.7 | 165.3 | -169.4 | 0 | 0 | 109.7 | H50 R64 Y66 | E48-H50 IonicContact OE2-CE1 3.27Å; E48-H50 IonicContact OE2-NE2 3.43Å; E48-H50 PolarHBondContact OE2-NE2 3.13Å; E48-R64 HydrophobicContact CB-CB 4.23Å; E48-R64 PolarHBondContact N-O 3.14Å; E48-R64 PolarHBondContact O-N 2.74Å; E48-R64 IonicContact OE1-NH1 2.8Å; E48-R64 WeakPolarHBondContact OE2-CD 3.38Å; E48-R64 IonicContact OE2-CZ 3.29Å; E48-R64 IonicContact OE2-NH1 2.8Å; E48-R64 PolarHBondContact OE2-NH1 3.26Å; E48-Y66 HydrophobicContact CG-CE1 3.95Å; E48-Y66 WeakPolarHBondContact OE1-CE1 3.13Å; E48-Y66 PolarHBondContact OE1-OH 3.49Å |
| 49 | E | 98.2 | Very high | 97.5 | Very high | 100 Ų | 100 | 51.5 Ų | 51.5 | 47% | 0.467 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 131.5 | 170 | -63 | -177.4 | -165.5 | 0 | 0 | 108.7 | S37 I63 | S37-E49 WeakPolarHBondContact CB-OE1 3.44Å; S37-E49 WeakPolarHBondContact OG-CG 3.38Å; S37-E49 PolarHBondContact OG-OE1 3.47Å; E49-I63 HydrophobicContact CG-CD1 3.8Å |
| 50 | H | 98.4 | Very high | 97.6 | Very high | 30 Ų | 30 | 51.5 Ų | 51.5 | 14% | 0.139 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 115.3 | -178.4 | -71.5 | -113.3 | 0 | 0 | 0 | 109.3 | E48 L62 W112 H154 | E48-H50 IonicContact OE2-CE1 3.27Å; E48-H50 IonicContact OE2-NE2 3.43Å; E48-H50 PolarHBondContact OE2-NE2 3.13Å; H50-L62 HydrophobicContact CB-CB 4.26Å; H50-L62 PolarHBondContact N-O 3.04Å; H50-L62 PolarHBondContact O-N 2.54Å; H50-W112 HydrophobicContact CB-CZ3 4.18Å; H50-W112 AromaticContact CD2-CH2 3.97Å; H50-W112 AromaticContact CD2-CZ3 3.85Å; H50-W112 AromaticContact CE1-CH2 3.71Å; H50-W112 AromaticContact CG-CH2 3.97Å; H50-W112 AromaticContact CG-CZ3 3.78Å; H50-W112 AromaticContact ND1-CH2 3.79Å; H50-W112 AromaticContact NE2-CH2 3.82Å; H50-H154 AromaticContact CG-NE2 3.61Å; H50-H154 AromaticContact ND1-CE1 3.79Å; H50-H154 AromaticContact ND1-NE2 3.05Å; H50-H154 PolarHBondContact ND1-NE2 2.99Å |
| 51 | E | 98.4 | Very high | 97.6 | Very high | 112 Ų | 112 | 51.9 Ų | 51.9 | 52% | 0.523 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 125.4 | 171.6 | -67.6 | -166 | 150.6 | 0 | 0 | 110.6 | I59 L60 K124 | E51-I59 HydrophobicContact CB-CG2 4.02Å; E51-I59 HydrophobicContact CG-CG2 4.33Å; E51-L60 WeakPolarHBondContact CA-O 3.33Å; E51-K124 IonicContact OE1-NZ 2.74Å; E51-K124 PolarHBondContact OE1-NZ 3.2Å |
| 52 | I | 98.5 | Very high | 97.7 | Very high | 10 Ų | 10 | 45.6 Ų | 45.6 | 5% | 0.051 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 143.7 | 176.8 | 64.3 | 166.7 | 0 | 0 | 0 | 109.9 | I59 L60 L62 A150 H154 | I52-I59 CarbonylContact O-C 3.51Å; I52-I59 VanDerWaalsContact O-CA 3.29Å; I52-I59 WeakPolarHBondContact O-CA 3.4Å; I52-L60 HydrophobicContact CD1-CB 4.3Å; I52-L60 HydrophobicContact CD1-CD1 4.07Å; I52-L60 HydrophobicContact CG1-CB 3.78Å; I52-L60 HydrophobicContact CG1-CD1 4.31Å; I52-L60 HydrophobicContact CG1-CG 4.3Å; I52-L60 PolarHBondContact N-O 2.81Å; I52-L60 PolarHBondContact O-N 3.24Å; I52-L62 HydrophobicContact CD1-CD1 3.89Å; I52-L62 HydrophobicContact CD1-CD2 4.44Å; I52-L62 HydrophobicContact CD1-CG 4.17Å; I52-L62 HydrophobicContact CG1-CD1 4.41Å; I52-L62 HydrophobicContact CG1-CG 4.39Å; I52-L62 HydrophobicContact CG2-CD1 4.17Å; I52-A150 HydrophobicContact CD1-CB 4.03Å; I52-H154 HydrophobicContact CG2-CB 3.75Å; I52-H154 WeakPolarHBondContact CG2-ND1 3.34Å |
| 53 | T | 98.7 | Very high | 97.9 | Very high | 62 Ų | 62 | 39.3 Ų | 39.3 | 38% | 0.38 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 128 | 173.2 | -47.8 | 0 | 0 | 0 | 0 | 110.5 | Y58 I59 K126 | T53-Y58 CarbonylContact C-O 3.55Å; T53-Y58 VanDerWaalsContact CA-O 3.29Å; T53-Y58 WeakPolarHBondContact CA-O 3.49Å; T53-I59 HydrophobicContact CG2-CG1 4.5Å; T53-K126 HydrophobicContact CG2-CD 4.27Å; T53-K126 HydrophobicContact CG2-CG 4.26Å |
| 54 | T | 98.7 | Very high | 98 | Very high | 3 Ų | 3 | 37.9 Ų | 37.9 | 2% | 0.018 | 21% | 0.214 | C | C | . | . | trans | -73 | 164.9 | 170.5 | 66 | 0 | 0 | 0 | 0 | 111.7 | D56 Q57 Y58 L60 D147 A150 | T54-D56 VanDerWaalsContact CB-OD1 3.25Å; T54-D56 WeakPolarHBondContact CB-OD1 3.4Å; T54-D56 PolarHBondContact O-N 3.02Å; T54-D56 PolarHBondContact OG1-OD1 3.07Å; T54-Q57 WeakPolarHBondContact O-CA 3.2Å; T54-Q57 PolarHBondContact O-N 3.2Å; T54-Q57 PolarHBondContact OG1-N 2.86Å; T54-Y58 PolarHBondContact N-O 3.34Å; T54-Y58 PolarHBondContact OG1-N 3.09Å; T54-Y58 PolarHBondContact OG1-O 3.11Å; T54-L60 HydrophobicContact CG2-CD1 3.68Å; T54-L60 HydrophobicContact CG2-CD2 4.42Å; T54-L60 HydrophobicContact CG2-CG 3.95Å; T54-D147 WeakPolarHBondContact CG2-OD1 3.46Å; T54-A150 HydrophobicContact CG2-CB 4.2Å | ||
| 55 | S | 98.1 | Very high | 98.1 | Very high | 87 Ų | 87 | 34.7 Ų | 34.7 | 61% | 0.608 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -29.3 | 177.6 | 46.6 | 0 | 0 | 0 | 0 | 113.1 | Q57 Y146 | S55-Q57 VanDerWaalsContact C-N 3.27Å; S55-Q57 PolarHBondContact O-NE2 2.77Å; S55-Y146 WeakPolarHBondContact OG-CD1 3.31Å |
| 56 | D | 98.3 | Very high | 98 | Very high | 41 Ų | 41 | 35.5 Ų | 35.5 | 22% | 0.219 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | 18.6 | 172.9 | 72.4 | -36.3 | 0 | 0 | 0 | 113.1 | T54 Y58 R117 H125 Y146 | T54-D56 VanDerWaalsContact CB-OD1 3.25Å; T54-D56 WeakPolarHBondContact CB-OD1 3.4Å; T54-D56 PolarHBondContact O-N 3.02Å; T54-D56 PolarHBondContact OG1-OD1 3.07Å; D56-Y58 PolarHBondContact O-N 2.63Å; D56-Y58 WeakPolarHBondContact OD2-CD2 3.25Å; D56-Y58 WeakPolarHBondContact OD2-CE2 3.41Å; D56-R117 IonicContact OD1-CZ 3.56Å; D56-R117 IonicContact OD1-NH1 3.97Å; D56-R117 IonicContact OD1-NH2 2.91Å; D56-R117 PolarHBondContact OD1-NH2 2.88Å; D56-R117 IonicContact OD2-CZ 3.26Å; D56-R117 IonicContact OD2-NH1 2.78Å; D56-R117 PolarHBondContact OD2-NH1 3.4Å; D56-R117 IonicContact OD2-NH2 3.57Å; D56-R117 PolarHBondContact OD2-NH2 3.32Å; D56-H125 PolarHBondContact O-NE2 2.89Å; D56-Y146 HydrophobicContact CB-CD2 4.05Å; D56-Y146 HydrophobicContact CB-CE2 4.02Å; D56-Y146 HydrophobicContact CB-CG 4.39Å; D56-Y146 WeakPolarHBondContact OD1-CB 3.24Å; D56-Y146 WeakPolarHBondContact OD2-CD2 3.3Å |
| 57 | Q | 98.5 | Very high | 97.9 | Very high | 53 Ų | 53 | 33.3 Ų | 33.3 | 25% | 0.248 | 17% | 0.173 | C | C | . | . | trans | 73.5 | 12.4 | 165.7 | -46.1 | -55 | -52.7 | 0 | 0 | 117.9 | T54 S55 H125 K126 | T54-Q57 WeakPolarHBondContact O-CA 3.2Å; T54-Q57 PolarHBondContact O-N 3.2Å; T54-Q57 PolarHBondContact OG1-N 2.86Å; S55-Q57 VanDerWaalsContact C-N 3.27Å; S55-Q57 PolarHBondContact O-NE2 2.77Å; Q57-H125 WeakPolarHBondContact O-CA 3.28Å; Q57-H125 PolarHBondContact O-CD2 2.76Å; Q57-H125 VanDerWaalsContact O-CD2 3.25Å; Q57-K126 HydrophobicContact CB-CB 4.1Å; Q57-K126 HydrophobicContact CB-CG 4.22Å; Q57-K126 PolarHBondContact O-N 3.04Å | ||
| 58 | Y | 98.7 | Very high | 97.3 | Very high | 10 Ų | 10 | 38 Ų | 38 | 4% | 0.039 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 144.7 | 164.9 | -73.9 | -99.5 | 0 | 0 | 0 | 110.1 | T53 T54 D56 R117 H125 Y135 F138 | T53-Y58 CarbonylContact C-O 3.55Å; T53-Y58 VanDerWaalsContact CA-O 3.29Å; T53-Y58 WeakPolarHBondContact CA-O 3.49Å; T54-Y58 PolarHBondContact N-O 3.34Å; T54-Y58 PolarHBondContact OG1-N 3.09Å; T54-Y58 PolarHBondContact OG1-O 3.11Å; D56-Y58 PolarHBondContact O-N 2.63Å; D56-Y58 WeakPolarHBondContact OD2-CD2 3.25Å; D56-Y58 WeakPolarHBondContact OD2-CE2 3.41Å; Y58-R117 HydrophobicContact CD1-CB 3.75Å; Y58-R117 VanDerWaalsContact CD2-NH1 3.3Å; Y58-R117 HydrophobicContact CE1-CB 4.26Å; Y58-R117 VanDerWaalsContact CE2-NH1 3.28Å; Y58-R117 HydrophobicContact CG-CB 4.19Å; Y58-H125 AromaticContact CD2-CD2 3.54Å; Y58-H125 AromaticContact CE2-CD2 3.68Å; Y58-H125 AromaticContact CG-CD2 3.75Å; Y58-H125 PolarHBondContact N-CD2 3.01Å; Y58-Y135 HydrophobicContact CD1-CE2 4.07Å; Y58-Y135 HydrophobicContact CE1-CD2 4.16Å; Y58-Y135 HydrophobicContact CE1-CE1 4.41Å; Y58-Y135 AromaticContact CE1-CE2 3.8Å; Y58-Y135 HydrophobicContact CE1-CE2 3.8Å; Y58-Y135 AromaticContact CE1-CZ 3.88Å; Y58-Y135 PolarHBondContact OH-O 3.17Å; Y58-F138 HydrophobicContact CE1-CD1 4.06Å; Y58-F138 HydrophobicContact CE1-CE1 4.3Å |
| 59 | I | 98.8 | Very high | 96.4 | Very high | 31 Ų | 31 | 41.2 Ų | 41.2 | 16% | 0.159 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 113.6 | 175.5 | -57.5 | 170.4 | 0 | 0 | 0 | 107.8 | E51 I52 T53 K124 K126 | E51-I59 HydrophobicContact CB-CG2 4.02Å; E51-I59 HydrophobicContact CG-CG2 4.33Å; I52-I59 CarbonylContact O-C 3.51Å; I52-I59 VanDerWaalsContact O-CA 3.29Å; I52-I59 WeakPolarHBondContact O-CA 3.4Å; T53-I59 HydrophobicContact CG2-CG1 4.5Å; I59-K124 HydrophobicContact CB-CB 3.79Å; I59-K124 HydrophobicContact CD1-CB 4.34Å; I59-K124 HydrophobicContact CG2-CB 4.39Å; I59-K124 PolarHBondContact N-O 2.88Å; I59-K126 HydrophobicContact CD1-CG 4.33Å |
| 60 | L | 98.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 141.4 | -178.9 | -43.7 | 176.8 | 0 | 0 | 0 | 109.7 | E51 I52 T54 R117 S122 D147 | E51-L60 WeakPolarHBondContact CA-O 3.33Å; I52-L60 HydrophobicContact CD1-CB 4.3Å; I52-L60 HydrophobicContact CD1-CD1 4.07Å; I52-L60 HydrophobicContact CG1-CB 3.78Å; I52-L60 HydrophobicContact CG1-CD1 4.31Å; I52-L60 HydrophobicContact CG1-CG 4.3Å; I52-L60 PolarHBondContact N-O 2.81Å; I52-L60 PolarHBondContact O-N 3.24Å; T54-L60 HydrophobicContact CG2-CD1 3.68Å; T54-L60 HydrophobicContact CG2-CD2 4.42Å; T54-L60 HydrophobicContact CG2-CG 3.95Å; L60-R117 HydrophobicContact CD2-CB 3.93Å; L60-S122 WeakPolarHBondContact CA-OG 3.35Å; L60-D147 HydrophobicContact CD1-CB 3.53Å; L60-D147 VanDerWaalsContact CD1-CG 3.47Å |
| 61 | C | 98.6 | Very high | 94 | Very high | 7 Ų | 7 | 37.6 Ų | 37.6 | 5% | 0.047 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 113.2 | 172.8 | -179 | 0 | 0 | 0 | 0 | 110.1 | N115 Y121 S122 | C61-N115 WeakPolarHBondContact O-CB 3.4Å; C61-N115 PolarHBondContact O-ND2 2.98Å; C61-Y121 VanDerWaalsContact CB-O 3.22Å; C61-Y121 WeakPolarHBondContact CB-O 3.24Å; C61-S122 PolarHBondContact N-OG 2.89Å; C61-S122 VanDerWaalsContact N-OG 3.14Å |
| 62 | L | 98.7 | Very high | 92.5 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 138.5 | 170.5 | -54.7 | 178.6 | 0 | 0 | 0 | 109.6 | H50 I52 W112 A114 T151 I155 | H50-L62 HydrophobicContact CB-CB 4.26Å; H50-L62 PolarHBondContact N-O 3.04Å; H50-L62 PolarHBondContact O-N 2.54Å; I52-L62 HydrophobicContact CD1-CD1 3.89Å; I52-L62 HydrophobicContact CD1-CD2 4.44Å; I52-L62 HydrophobicContact CD1-CG 4.17Å; I52-L62 HydrophobicContact CG1-CD1 4.41Å; I52-L62 HydrophobicContact CG1-CG 4.39Å; I52-L62 HydrophobicContact CG2-CD1 4.17Å; L62-W112 HydrophobicContact CB-CE3 4.19Å; L62-W112 HydrophobicContact CB-CZ3 4.34Å; L62-W112 HydrophobicContact CD1-CE3 4.28Å; L62-W112 HydrophobicContact CD1-CZ3 4.32Å; L62-A114 HydrophobicContact CD2-CB 3.98Å; L62-T151 HydrophobicContact CD1-CG2 3.91Å; L62-T151 HydrophobicContact CD2-CG2 3.75Å; L62-I155 HydrophobicContact CD1-CG1 4.46Å |
| 63 | I | 98.6 | Very high | 91 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 125 | 175.8 | -48.8 | -62 | 0 | 0 | 0 | 108.2 | I36 I40 V47 E49 W112 L113 | I36-I63 HydrophobicContact CD1-CG1 4.34Å; I36-I63 HydrophobicContact CG2-CD1 3.68Å; I36-I63 HydrophobicContact CG2-CG1 3.74Å; I36-I63 HydrophobicContact CG2-CG2 4.46Å; I40-I63 HydrophobicContact CD1-CG2 3.75Å; V47-I63 HydrophobicContact CG2-CG2 3.54Å; E49-I63 HydrophobicContact CG-CD1 3.8Å; I63-W112 CarbonylContact O-C 3.36Å; I63-W112 WeakPolarHBondContact O-CA 3.44Å; I63-L113 HydrophobicContact CB-CB 4.14Å; I63-L113 HydrophobicContact CB-CD1 4.31Å; I63-L113 HydrophobicContact CB-CG 4.42Å; I63-L113 HydrophobicContact CG2-CD1 4.32Å; I63-L113 PolarHBondContact N-O 2.93Å; I63-L113 PolarHBondContact O-N 3.47Å |
| 64 | R | 97.7 | Very high | 89.5 | Confident | 25 Ų | 25 | 48 Ų | 48 | 9% | 0.094 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 116.6 | 175.8 | -171.1 | -166.3 | -175.9 | -165.1 | 2.5 | 109 | V47 E48 Y66 D110 V111 W112 | V47-R64 CarbonylContact C-O 3.45Å; V47-R64 VanDerWaalsContact CA-O 3.25Å; V47-R64 WeakPolarHBondContact CA-O 3.22Å; E48-R64 HydrophobicContact CB-CB 4.23Å; E48-R64 PolarHBondContact N-O 3.14Å; E48-R64 PolarHBondContact O-N 2.74Å; E48-R64 IonicContact OE1-NH1 2.8Å; E48-R64 WeakPolarHBondContact OE2-CD 3.38Å; E48-R64 IonicContact OE2-CZ 3.29Å; E48-R64 IonicContact OE2-NH1 2.8Å; E48-R64 PolarHBondContact OE2-NH1 3.26Å; R64-Y66 HydrophobicContact CG-CD1 4.05Å; R64-Y66 HydrophobicContact CG-CE1 4.44Å; R64-D110 WeakPolarHBondContact CG-OD1 3.39Å; R64-D110 IonicContact CZ-OD1 3.74Å; R64-D110 IonicContact CZ-OD2 3.74Å; R64-D110 IonicContact NE-OD1 2.69Å; R64-D110 PolarHBondContact NE-OD1 3.48Å; R64-D110 IonicContact NE-OD2 2.64Å; R64-D110 PolarHBondContact NE-OD2 3.36Å; R64-D110 IonicContact NH2-OD1 2.76Å; R64-D110 PolarHBondContact NH2-OD1 3.43Å; R64-D110 IonicContact NH2-OD2 3.13Å; R64-D110 PolarHBondContact NH2-OD2 2.75Å; R64-V111 CarbonylContact C-O 3.51Å; R64-V111 WeakPolarHBondContact CA-O 3.31Å; R64-W112 HydrophobicContact CB-CD2 4.17Å; R64-W112 HydrophobicContact CB-CE3 4.07Å; R64-W112 HydrophobicContact CB-CH2 4.31Å; R64-W112 HydrophobicContact CB-CZ2 4.38Å; R64-W112 HydrophobicContact CB-CZ3 4.15Å; R64-W112 VanDerWaalsContact CD-CZ2 3.5Å; R64-W112 HydrophobicContact CG-CD2 3.97Å; R64-W112 HydrophobicContact CG-CE3 4.35Å; R64-W112 HydrophobicContact CG-CG 4.49Å; R64-W112 HydrophobicContact CG-CH2 4.28Å; R64-W112 HydrophobicContact CG-CZ2 3.87Å; R64-W112 HydrophobicContact CG-CZ3 4.49Å |
| 65 | L | 95.8 | Very high | 88.4 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 128 | -178.3 | 165.8 | 71.1 | 0 | 0 | 0 | 109.2 | I40 Y45 V92 G101 Y102 A105 V111 | I40-L65 HydrophobicContact CB-CD1 4.43Å; I40-L65 HydrophobicContact CD1-CB 4.47Å; I40-L65 HydrophobicContact CD1-CD1 4.35Å; I40-L65 HydrophobicContact CG1-CD1 4.31Å; I40-L65 HydrophobicContact CG2-CD1 3.29Å; Y45-L65 VanDerWaalsContact CB-CD1 3.46Å; Y45-L65 HydrophobicContact CD1-CD1 3.93Å; Y45-L65 HydrophobicContact CD2-CD1 4.47Å; Y45-L65 HydrophobicContact CG-CD1 3.73Å; L65-V92 HydrophobicContact CD2-CG1 4.29Å; L65-G101 VanDerWaalsContact CD2-O 3.26Å; L65-G101 WeakPolarHBondContact CD2-O 3.38Å; L65-Y102 HydrophobicContact CD1-CD1 4.14Å; L65-Y102 HydrophobicContact CD1-CE1 4.1Å; L65-Y102 HydrophobicContact CD2-CD1 3.91Å; L65-Y102 HydrophobicContact CD2-CE1 4.24Å; L65-A105 HydrophobicContact CD2-CB 4.45Å; L65-A105 HydrophobicContact CG-CB 4.16Å; L65-V111 HydrophobicContact CB-CB 4.19Å; L65-V111 HydrophobicContact CD2-CB 4.48Å; L65-V111 HydrophobicContact CD2-CG1 4.46Å; L65-V111 HydrophobicContact CG-CB 4.46Å; L65-V111 PolarHBondContact N-O 3.07Å; L65-V111 WeakPolarHBondContact O-CB 3.35Å; L65-V111 PolarHBondContact O-N 2.77Å |
| 66 | Y | 95.4 | Very high | 88.1 | Confident | 29 Ų | 29 | 54.5 Ų | 54.5 | 11% | 0.114 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 167.6 | 179.3 | 59.9 | -88.3 | 0 | 0 | 0 | 112.8 | L46 E48 R64 V71 | L46-Y66 HydrophobicContact CB-CD1 4.46Å; L46-Y66 HydrophobicContact CB-CD2 3.77Å; L46-Y66 HydrophobicContact CB-CE1 4.25Å; L46-Y66 HydrophobicContact CB-CE2 3.52Å; L46-Y66 HydrophobicContact CB-CG 4.25Å; L46-Y66 WeakPolarHBondContact CB-O 3.38Å; L46-Y66 HydrophobicContact CD1-CD2 3.85Å; L46-Y66 HydrophobicContact CD1-CE2 3.38Å; L46-Y66 HydrophobicContact CG-CD2 4.42Å; L46-Y66 HydrophobicContact CG-CE2 4.1Å; L46-Y66 PolarHBondContact N-O 3.17Å; L46-Y66 PolarHBondContact O-N 3.46Å; L46-Y66 VanDerWaalsContact O-N 3.07Å; E48-Y66 HydrophobicContact CG-CE1 3.95Å; E48-Y66 WeakPolarHBondContact OE1-CE1 3.13Å; E48-Y66 PolarHBondContact OE1-OH 3.49Å; R64-Y66 HydrophobicContact CG-CD1 4.05Å; R64-Y66 HydrophobicContact CG-CE1 4.44Å; Y66-V71 HydrophobicContact CD2-CG2 3.31Å; Y66-V71 HydrophobicContact CE2-CG2 3.37Å; Y66-V71 HydrophobicContact CG-CG2 4.33Å |
| 67 | T | 93.8 | Very high | 88 | Confident | 23 Ų | 23 | 52.5 Ų | 52.5 | 14% | 0.141 | 24% | 0.235 | C | C | . | . | trans | -107 | 166 | 168.1 | 68.1 | 0 | 0 | 0 | 0 | 109.9 | Y45 Q69 S70 V71 A105 | Y45-T67 HydrophobicContact CD1-CG2 3.75Å; Y45-T67 HydrophobicContact CE1-CG2 3.74Å; T67-Q69 PolarHBondContact O-N 2.91Å; T67-Q69 PolarHBondContact OG1-N 3.48Å; T67-S70 PolarHBondContact N-OG 2.78Å; T67-S70 WeakPolarHBondContact O-CB 3.34Å; T67-S70 PolarHBondContact O-N 3.12Å; T67-S70 VanDerWaalsContact O-N 3.12Å; T67-S70 PolarHBondContact OG1-N 3.01Å; T67-S70 PolarHBondContact OG1-OG 3.27Å; T67-S70 VanDerWaalsContact OG1-OG 3.1Å; T67-V71 PolarHBondContact O-N 3.49Å; T67-A105 HydrophobicContact CG2-CB 4.2Å; T67-A105 WeakPolarHBondContact CG2-O 3.3Å; T67-A105 PolarHBondContact OG1-O 3.2Å | ||
| 68 | N | 86 | Confident | 88 | Confident | 115 Ų | 115 | 50 Ų | 50 | 62% | 0.615 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -54.1 | -34.7 | 170.6 | -77.5 | -39 | 0 | 0 | 0 | 111.9 | L46 V71 Y72 | L46-N68 WeakPolarHBondContact CD1-OD1 3.49Å; N68-V71 PolarHBondContact O-N 3.24Å; N68-Y72 WeakPolarHBondContact O-CD2 3.46Å; N68-Y72 WeakPolarHBondContact O-CE2 3.24Å |
| 69 | Q | 77.9 | Confident | 88 | Confident | 127 Ų | 127 | 49.5 Ų | 49.5 | 59% | 0.593 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -67.5 | -40.9 | 178.4 | -64.5 | 179.9 | -6.5 | 0 | 0 | 112.1 | T67 V71 Y72 Q73 | T67-Q69 PolarHBondContact O-N 2.91Å; T67-Q69 PolarHBondContact OG1-N 3.48Å; Q69-V71 VanDerWaalsContact C-N 3.27Å; Q69-V71 PolarHBondContact O-N 3.11Å; Q69-Y72 PolarHBondContact O-N 3.21Å; Q69-Y72 VanDerWaalsContact O-N 3.11Å; Q69-Q73 PolarHBondContact O-N 3.1Å |
| 70 | S | 76.3 | Confident | 88 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.007 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.6 | -37.7 | 176.8 | -52.2 | 0 | 0 | 0 | 0 | 112.5 | T67 Y72 Q73 K74 A105 Y109 | T67-S70 PolarHBondContact N-OG 2.78Å; T67-S70 WeakPolarHBondContact O-CB 3.34Å; T67-S70 PolarHBondContact O-N 3.12Å; T67-S70 VanDerWaalsContact O-N 3.12Å; T67-S70 PolarHBondContact OG1-N 3.01Å; T67-S70 PolarHBondContact OG1-OG 3.27Å; T67-S70 VanDerWaalsContact OG1-OG 3.1Å; S70-Y72 PolarHBondContact O-N 3.02Å; S70-Q73 CarbonylContact O-C 3.21Å; S70-Q73 WeakPolarHBondContact O-CA 3.39Å; S70-Q73 PolarHBondContact O-N 3.15Å; S70-K74 PolarHBondContact O-N 3.17Å; S70-A105 PolarHBondContact OG-O 3.38Å; S70-Y109 VanDerWaalsContact CB-O 3.23Å; S70-Y109 WeakPolarHBondContact CB-O 3.45Å; S70-Y109 PolarHBondContact OG-O 3.23Å |
| 71 | V | 70 | Confident | 88 | Confident | 52 Ų | 52 | 48.3 Ų | 48.3 | 32% | 0.315 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -63.6 | -29.7 | 179 | -177.2 | 0 | 0 | 0 | 0 | 112.1 | Y66 T67 N68 Q69 K74 | Y66-V71 HydrophobicContact CD2-CG2 3.31Å; Y66-V71 HydrophobicContact CE2-CG2 3.37Å; Y66-V71 HydrophobicContact CG-CG2 4.33Å; T67-V71 PolarHBondContact O-N 3.49Å; N68-V71 PolarHBondContact O-N 3.24Å; Q69-V71 VanDerWaalsContact C-N 3.27Å; Q69-V71 PolarHBondContact O-N 3.11Å; V71-K74 WeakPolarHBondContact O-CE 3.38Å; V71-K74 WeakPolarHBondContact O-CG 3.41Å |
| 72 | Y | 65.8 | Low | 88 | Confident | 206 Ų | 206 | 48.1 Ų | 48.1 | 81% | 0.808 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -77.6 | -27.6 | 172.8 | -66 | -73.5 | 0 | 0 | 0 | 112.1 | N68 Q69 S70 | N68-Y72 WeakPolarHBondContact O-CD2 3.46Å; N68-Y72 WeakPolarHBondContact O-CE2 3.24Å; Q69-Y72 PolarHBondContact O-N 3.21Å; Q69-Y72 VanDerWaalsContact O-N 3.11Å; S70-Y72 PolarHBondContact O-N 3.02Å |
| 73 | Q | 68.4 | Low | 87.9 | Confident | 81 Ų | 81 | 48.1 Ų | 48.1 | 38% | 0.379 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | 41.1 | 179.6 | -60.3 | -172.6 | 19.4 | 0 | 0 | 112.8 | Q69 S70 R75 K76 | Q69-Q73 PolarHBondContact O-N 3.1Å; S70-Q73 CarbonylContact O-C 3.21Å; S70-Q73 WeakPolarHBondContact O-CA 3.39Å; S70-Q73 PolarHBondContact O-N 3.15Å; Q73-R75 PolarHBondContact O-N 2.82Å; Q73-K76 PolarHBondContact O-N 3.19Å; Q73-K76 VanDerWaalsContact O-N 3.09Å |
| 74 | K | 67.4 | Low | 87.9 | Confident | 115 Ų | 115 | 49.4 Ų | 49.4 | 50% | 0.5 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.5 | -7.4 | -176.4 | -59.7 | -165.2 | 175.7 | 178 | 0 | 116.5 | S70 V71 K76 M161 | S70-K74 PolarHBondContact O-N 3.17Å; V71-K74 WeakPolarHBondContact O-CE 3.38Å; V71-K74 WeakPolarHBondContact O-CG 3.41Å; K74-K76 VanDerWaalsContact C-N 3.35Å; K74-M161 WeakPolarHBondContact O-CG 3.29Å |
| 75 | R | 75.8 | Confident | 87.7 | Confident | 188 Ų | 188 | 49.6 Ų | 49.6 | 71% | 0.709 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -21.7 | 176.5 | -60.1 | -174.5 | -177.5 | -176.8 | 0.8 | 114.4 | Q73 M161 Q395 | Q73-R75 PolarHBondContact O-N 2.82Å; R75-M161 HydrophobicContact CB-CE 4.13Å; R75-M161 HydrophobicContact CG-CE 4.37Å; R75-M161 WeakPolarHBondContact O-CE 3.26Å; R75-Q395 PolarHBondContact O-OE1 3.49Å |
| 76 | K | 91.5 | Very high | 87.7 | Confident | 39 Ų | 39 | 50.1 Ų | 50.1 | 17% | 0.17 | 23% | 0.226 | C | C | . | . | trans | -102.6 | 83.6 | -173.4 | -63.1 | -175.2 | 177.9 | 177.2 | 0 | 111.7 | Q73 K74 Y109 D110 Q395 | Q73-K76 PolarHBondContact O-N 3.19Å; Q73-K76 VanDerWaalsContact O-N 3.09Å; K74-K76 VanDerWaalsContact C-N 3.35Å; K76-Y109 HydrophobicContact CB-CD1 3.72Å; K76-Y109 HydrophobicContact CB-CE1 4.01Å; K76-Y109 HydrophobicContact CB-CG 4.06Å; K76-Y109 HydrophobicContact CD-CE2 4.39Å; K76-Y109 CarbonylContact O-C 3.46Å; K76-Y109 VanDerWaalsContact O-CA 3.29Å; K76-Y109 WeakPolarHBondContact O-CA 3.39Å; K76-D110 PolarHBondContact O-N 2.87Å; K76-Q395 HydrophobicContact CB-CG 4.5Å; K76-Q395 HydrophobicContact CG-CB 4.02Å; K76-Q395 HydrophobicContact CG-CG 4Å | ||
| 77 | V | 95.8 | Very high | 87.8 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 132 | -179.8 | -175.8 | 0 | 0 | 0 | 0 | 110.3 | D110 I155 T159 M161 L164 S165 | V77-D110 HydrophobicContact CG2-CB 4.34Å; V77-I155 HydrophobicContact CG1-CG2 3.6Å; V77-T159 HydrophobicContact CG1-CG2 4.22Å; V77-T159 HydrophobicContact CG2-CG2 3.86Å; V77-M161 HydrophobicContact CG2-CB 4.13Å; V77-M161 HydrophobicContact CG2-CG 3.68Å; V77-L164 HydrophobicContact CB-CB 3.87Å; V77-L164 HydrophobicContact CG1-CB 3.73Å; V77-L164 HydrophobicContact CG1-CD2 4.48Å; V77-L164 WeakPolarHBondContact O-CA 3.13Å; V77-L164 WeakPolarHBondContact O-CB 3.4Å; V77-S165 PolarHBondContact O-N 2.86Å |
| 78 | V | 97.6 | Very high | 88 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 135.8 | 176.6 | 62.6 | 0 | 0 | 0 | 0 | 111 | L80 L104 Y109 D110 V111 W112 S165 I167 M391 | V78-L80 HydrophobicContact CG2-CD2 3.83Å; V78-L104 HydrophobicContact CG1-CB 4.5Å; V78-L104 HydrophobicContact CG1-CD1 3.99Å; V78-L104 HydrophobicContact CG1-CD2 4.49Å; V78-L104 HydrophobicContact CG2-CD1 4.32Å; V78-Y109 HydrophobicContact CB-CD1 4.09Å; V78-Y109 HydrophobicContact CG1-CD1 4.01Å; V78-Y109 HydrophobicContact CG1-CG 4.25Å; V78-D110 PolarHBondContact N-O 2.93Å; V78-D110 VanDerWaalsContact N-O 3.07Å; V78-V111 HydrophobicContact CG1-CB 4.2Å; V78-V111 HydrophobicContact CG1-CG1 4.21Å; V78-V111 HydrophobicContact CG1-CG2 3.88Å; V78-W112 PolarHBondContact O-N 3.39Å; V78-S165 CarbonylContact C-O 3.57Å; V78-S165 VanDerWaalsContact CA-O 3.3Å; V78-S165 WeakPolarHBondContact CA-O 3.33Å; V78-I167 HydrophobicContact CG2-CD1 4Å; V78-I167 HydrophobicContact CG2-CG1 3.93Å; V78-M391 HydrophobicContact CB-CE 4.05Å; V78-M391 HydrophobicContact CG2-CE 3.65Å |
| 79 | L | 98.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 125.4 | 173.2 | 178.7 | 57.7 | 0 | 0 | 0 | 110.2 | W112 A114 T151 I152 I155 L164 S165 Y166 I167 | L79-W112 CarbonylContact C-O 3.59Å; L79-W112 WeakPolarHBondContact CA-O 3.29Å; L79-W112 HydrophobicContact CD1-CB 3.82Å; L79-W112 WeakPolarHBondContact CD1-O 3.37Å; L79-A114 HydrophobicContact CD1-CB 3.88Å; L79-T151 HydrophobicContact CD1-CG2 4.14Å; L79-T151 HydrophobicContact CD2-CG2 3.69Å; L79-I152 HydrophobicContact CD2-CD1 3.63Å; L79-I155 HydrophobicContact CB-CD1 4.33Å; L79-I155 HydrophobicContact CD1-CD1 3.74Å; L79-I155 HydrophobicContact CD2-CD1 3.97Å; L79-I155 HydrophobicContact CG-CD1 4.24Å; L79-L164 HydrophobicContact CB-CD1 3.71Å; L79-S165 PolarHBondContact N-O 3.06Å; L79-Y166 HydrophobicContact CB-CD2 4.13Å; L79-Y166 HydrophobicContact CD2-CD2 3.76Å; L79-Y166 HydrophobicContact CD2-CE2 3.75Å; L79-Y166 HydrophobicContact CG-CD2 3.98Å; L79-Y166 HydrophobicContact CG-CE2 4.05Å; L79-I167 PolarHBondContact O-N 3.02Å |
| 80 | L | 98.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 121.1 | 175.3 | -48.5 | -173.6 | 0 | 0 | 0 | 110 | V78 W91 L100 L104 V111 W112 L113 A114 I167 | V78-L80 HydrophobicContact CG2-CD2 3.83Å; L80-W91 HydrophobicContact CB-CD2 3.8Å; L80-W91 HydrophobicContact CB-CG 3.84Å; L80-W91 HydrophobicContact CB-CZ2 4.21Å; L80-W91 HydrophobicContact CD1-CB 3.79Å; L80-W91 HydrophobicContact CD1-CD2 3.88Å; L80-W91 HydrophobicContact CD1-CE3 4.16Å; L80-W91 HydrophobicContact CD1-CG 3.7Å; L80-W91 HydrophobicContact CG-CD2 4.41Å; L80-W91 HydrophobicContact CG-CG 4.42Å; L80-L100 HydrophobicContact CD2-CD2 4.42Å; L80-L104 HydrophobicContact CD1-CD1 4.06Å; L80-L104 HydrophobicContact CD2-CD1 3.85Å; L80-L104 HydrophobicContact CG-CD1 4.46Å; L80-V111 HydrophobicContact CD1-CG1 3.87Å; L80-V111 HydrophobicContact CG-CG1 4.14Å; L80-W112 PolarHBondContact N-O 3.11Å; L80-L113 HydrophobicContact CB-CD2 3.92Å; L80-L113 HydrophobicContact CD1-CD2 3.58Å; L80-L113 HydrophobicContact CG-CD2 3.95Å; L80-A114 PolarHBondContact O-N 3.17Å; L80-I167 WeakPolarHBondContact CA-O 3.28Å; L80-I167 HydrophobicContact CD2-CB 3.58Å; L80-I167 HydrophobicContact CD2-CD1 3.61Å; L80-I167 HydrophobicContact CD2-CG1 3.71Å; L80-I167 HydrophobicContact CD2-CG2 4.34Å |
| 81 | Q | 98.8 | Very high | 90.4 | Very high | 6 Ų | 6 | 36.4 Ų | 36.4 | 3% | 0.028 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 119.4 | -179.8 | -177.3 | 71.2 | 64.3 | 0 | 0 | 111.4 | W91 S116 Y166 I167 F169 | Q81-W91 WeakPolarHBondContact O-CZ2 3.41Å; Q81-S116 PolarHBondContact NE2-OG 3.19Å; Q81-Y166 HydrophobicContact CB-CE1 4.3Å; Q81-Y166 HydrophobicContact CB-CE2 3.99Å; Q81-Y166 WeakPolarHBondContact CB-OH 3.46Å; Q81-Y166 WeakPolarHBondContact CG-OH 3.31Å; Q81-I167 PolarHBondContact N-O 3.41Å; Q81-F169 PolarHBondContact O-N 3.35Å |
| 82 | H | 98.6 | Very high | 91.6 | Very high | 3 Ų | 3 | 33.9 Ų | 33.9 | 1% | 0.014 | 14% | 0.143 | C | C | . | . | trans | -68.8 | 172.2 | 178.2 | 68.9 | 72.1 | 0 | 0 | 0 | 113.5 | D86 S87 A90 A114 S116 N119 G172 | H82-D86 HydrophobicContact CB-CB 3.96Å; H82-D86 PolarHBondContact CE1-O 3.26Å; H82-D86 PolarHBondContact ND1-O 2.91Å; H82-D86 PolarHBondContact NE2-O 2.91Å; H82-S87 WeakPolarHBondContact CB-O 3.29Å; H82-S87 VanDerWaalsContact CD2-C 3.42Å; H82-S87 VanDerWaalsContact CD2-CA 3.42Å; H82-S87 WeakPolarHBondContact CD2-CA 3.47Å; H82-A90 HydrophobicContact CB-CB 4.45Å; H82-A114 PolarHBondContact CD2-O 3Å; H82-S116 PolarHBondContact NE2-N 2.96Å; H82-S116 VanDerWaalsContact NE2-N 3.14Å; H82-N119 PolarHBondContact NE2-ND2 3.05Å; H82-N119 VanDerWaalsContact NE2-ND2 3.11Å; H82-G172 PolarHBondContact O-N 2.87Å | ||
| 83 | G | 98.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 11% | 0.106 | C | C | . | . | trans | -90.5 | -163.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | F169 | G83-F169 WeakPolarHBondContact CA-O 3.3Š| ||
| 84 | L | 97 | Very high | 94 | Very high | 28 Ų | 28 | 20.7 Ų | 20.7 | 15% | 0.147 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | 139.4 | 174.2 | 172.4 | 64.2 | 0 | 0 | 0 | 110.5 | D86 Q171 F209 T284 N288 L289 F292 | L84-D86 PolarHBondContact O-N 3.44Å; L84-Q171 HydrophobicContact CB-CB 4.25Å; L84-F209 HydrophobicContact CD2-CE2 3.75Å; L84-F209 HydrophobicContact CD2-CZ 3.77Å; L84-T284 HydrophobicContact CD1-CG2 4.08Å; L84-N288 WeakPolarHBondContact CD1-ND2 2.94Å; L84-L289 HydrophobicContact CD1-CD2 3.86Å; L84-L289 HydrophobicContact CD2-CD2 3.79Å; L84-L289 HydrophobicContact CG-CD2 4.29Å; L84-F292 HydrophobicContact CB-CE2 4.48Å; L84-F292 HydrophobicContact CD1-CD2 4.29Å; L84-F292 HydrophobicContact CD1-CE2 3.87Å; L84-F292 HydrophobicContact CD2-CD2 4.06Å; L84-F292 HydrophobicContact CD2-CE2 4.02Å; L84-F292 HydrophobicContact CD2-CZ 4.49Å; L84-F292 HydrophobicContact CG-CE2 4.35Å |
| 85 | L | 94.8 | Very high | 95.2 | Very high | 28 Ų | 28 | 19.2 Ų | 19.2 | 15% | 0.147 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | 23 | 177.5 | -76.3 | 168.2 | 0 | 0 | 0 | 114.7 | V231 L232 P281 A282 T284 | L85-V231 HydrophobicContact CD2-CG1 4.47Å; L85-V231 WeakPolarHBondContact CD2-O 3.45Å; L85-L232 HydrophobicContact CD1-CD1 3.91Å; L85-L232 HydrophobicContact CD2-CB 3.91Å; L85-P281 HydrophobicContact CB-CB 4.02Å; L85-P281 HydrophobicContact CD2-CB 4.28Å; L85-P281 CarbonylContact O-C 3.57Å; L85-P281 WeakPolarHBondContact O-CA 3.5Å; L85-A282 PolarHBondContact O-N 2.99Å; L85-T284 HydrophobicContact CD2-CG2 3.45Å; L85-T284 VanDerWaalsContact CD2-CG2 3.45Å; L85-T284 HydrophobicContact CG-CG2 3.83Å |
| 86 | D | 95.9 | Very high | 96 | Very high | 11 Ų | 11 | 14.3 Ų | 14.3 | 6% | 0.059 | 7% | 0.07 | C | C | . | . | trans | -122.5 | 179.1 | -172 | -159.3 | 8.2 | 0 | 0 | 0 | 112.2 | H82 L84 A90 N119 S280 | H82-D86 HydrophobicContact CB-CB 3.96Å; H82-D86 PolarHBondContact CE1-O 3.26Å; H82-D86 PolarHBondContact ND1-O 2.91Å; H82-D86 PolarHBondContact NE2-O 2.91Å; L84-D86 PolarHBondContact O-N 3.44Å; D86-A90 VanDerWaalsContact OD2-CB 3.27Å; D86-A90 WeakPolarHBondContact OD2-CB 3.3Å; D86-N119 PolarHBondContact O-ND2 3.37Å; D86-S280 PolarHBondContact OD1-OG 3.42Å | ||
| 87 | S | 97.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.089 | C | C | . | . | trans | -142.6 | 176.6 | 177 | 65.6 | 0 | 0 | 0 | 0 | 112 | H82 H89 A90 | H82-S87 WeakPolarHBondContact CB-O 3.29Å; H82-S87 VanDerWaalsContact CD2-C 3.42Å; H82-S87 VanDerWaalsContact CD2-CA 3.42Å; H82-S87 WeakPolarHBondContact CD2-CA 3.47Å; S87-H89 PolarHBondContact O-N 3.04Å; S87-H89 WeakPolarHBondContact OG-CB 3.42Å; S87-H89 PolarHBondContact OG-N 3.38Å; S87-H89 PolarHBondContact OG-ND1 2.83Å; S87-A90 WeakPolarHBondContact O-CB 3.11Å; S87-A90 PolarHBondContact O-N 3.07Å; S87-A90 VanDerWaalsContact O-N 3.09Å | ||
| 88 | S | 97.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 10% | 0.095 | C | C | . | . | G | 310 helix | trans | -49.2 | -21.9 | 171.4 | 47.5 | 0 | 0 | 0 | 0 | 114.7 | I36 A90 W91 N115 | I36-S88 VanDerWaalsContact CD1-C 3.46Å; I36-S88 VanDerWaalsContact CD1-CB 3.46Å; I36-S88 WeakPolarHBondContact CD1-OG 3.29Å; S88-A90 PolarHBondContact O-N 3.46Å; S88-W91 PolarHBondContact O-N 3.15Å; S88-N115 WeakPolarHBondContact CB-OD1 3.39Å; S88-N115 PolarHBondContact N-OD1 3.39Å; S88-N115 PolarHBondContact OG-ND2 3.4Å; S88-N115 PolarHBondContact OG-OD1 2.81Å |
| 89 | H | 96.3 | Very high | 96.1 | Very high | 2 Ų | 2 | 19 Ų | 19 | 1% | 0.009 | 10% | 0.096 | C | C | . | . | G | 310 helix | trans | -52.1 | -37.1 | 173.1 | -78.6 | 124.1 | 0 | 0 | 0 | 113.5 | S87 W91 V92 M93 Y121 H279 | S87-H89 PolarHBondContact O-N 3.04Å; S87-H89 WeakPolarHBondContact OG-CB 3.42Å; S87-H89 PolarHBondContact OG-N 3.38Å; S87-H89 PolarHBondContact OG-ND1 2.83Å; H89-W91 PolarHBondContact O-N 3.41Å; H89-V92 WeakPolarHBondContact O-CG2 3.39Å; H89-V92 PolarHBondContact O-N 3.43Å; H89-M93 HydrophobicContact CB-CG 3.99Å; H89-M93 HydrophobicContact CB-SD 3.49Å; H89-M93 WeakPolarHBondContact CB-SD 3.39Å; H89-M93 VanDerWaalsContact CD2-SD 3.59Å; H89-M93 WeakPolarHBondContact O-CG 3.32Å; H89-M93 PolarHBondContact O-N 3.32Å; H89-M93 VanDerWaalsContact O-N 3.15Å; H89-Y121 AromaticContact CE1-CE2 3.47Å; H89-Y121 VanDerWaalsContact CE1-CE2 3.47Å; H89-Y121 WeakPolarHBondContact CE1-CE2 3.46Å; H89-Y121 AromaticContact CE1-CZ 3.54Å; H89-Y121 PolarHBondContact CE1-OH 3.08Å; H89-Y121 AromaticContact ND1-CE2 3.58Å; H89-Y121 AromaticContact NE2-CZ 4Å; H89-Y121 PolarHBondContact NE2-OH 2.9Å; H89-H279 HydrophobicContact CB-CB 4.39Å; H89-H279 AromaticContact CE1-CE1 3.82Å; H89-H279 AromaticContact CE1-CG 3.57Å; H89-H279 AromaticContact CE1-ND1 3.12Å; H89-H279 PolarHBondContact CE1-ND1 3.27Å; H89-H279 AromaticContact ND1-CG 3.91Å; H89-H279 AromaticContact ND1-ND1 3.86Å; H89-H279 AromaticContact NE2-CE1 3.75Å; H89-H279 AromaticContact NE2-CG 3.79Å; H89-H279 AromaticContact NE2-ND1 3.47Å; H89-H279 PolarHBondContact NE2-ND1 2.87Å |
| 90 | A | 95.5 | Very high | 96.1 | Very high | 4 Ų | 4 | 19.1 Ų | 19.1 | 3% | 0.033 | 10% | 0.097 | C | C | . | . | G | 310 helix | trans | -45 | -33.7 | -178 | 0 | 0 | 0 | 0 | 0 | 113.9 | H82 D86 S87 S88 F374 | H82-A90 HydrophobicContact CB-CB 4.45Å; D86-A90 VanDerWaalsContact OD2-CB 3.27Å; D86-A90 WeakPolarHBondContact OD2-CB 3.3Å; S87-A90 WeakPolarHBondContact O-CB 3.11Å; S87-A90 PolarHBondContact O-N 3.07Å; S87-A90 VanDerWaalsContact O-N 3.09Å; S88-A90 PolarHBondContact O-N 3.46Å; A90-F374 HydrophobicContact CB-CD2 3.86Å; A90-F374 HydrophobicContact CB-CE2 3.84Å; A90-F374 WeakPolarHBondContact O-CD2 3.19Å |
| 91 | W | 97.5 | Very high | 96 | Very high | 1 Ų | 1 | 19.1 Ų | 19.1 | 0% | 0.004 | 10% | 0.097 | C | C | . | . | G | 310 helix | trans | -89.4 | -5 | -174.1 | -50.5 | 111.9 | 0 | 0 | 0 | 114.9 | L80 Q81 S88 H89 S99 L100 G101 L113 I167 F169 F196 | L80-W91 HydrophobicContact CB-CD2 3.8Å; L80-W91 HydrophobicContact CB-CG 3.84Å; L80-W91 HydrophobicContact CB-CZ2 4.21Å; L80-W91 HydrophobicContact CD1-CB 3.79Å; L80-W91 HydrophobicContact CD1-CD2 3.88Å; L80-W91 HydrophobicContact CD1-CE3 4.16Å; L80-W91 HydrophobicContact CD1-CG 3.7Å; L80-W91 HydrophobicContact CG-CD2 4.41Å; L80-W91 HydrophobicContact CG-CG 4.42Å; Q81-W91 WeakPolarHBondContact O-CZ2 3.41Å; S88-W91 PolarHBondContact O-N 3.15Å; H89-W91 PolarHBondContact O-N 3.41Å; W91-S99 WeakPolarHBondContact O-CB 3.5Å; W91-L100 HydrophobicContact CE3-CB 4.31Å; W91-L100 HydrophobicContact CE3-CD2 3.98Å; W91-L100 HydrophobicContact CZ3-CD2 3.86Å; W91-G101 PolarHBondContact O-N 3.02Å; W91-L113 HydrophobicContact CB-CD2 3.99Å; W91-L113 HydrophobicContact CG-CD2 4.2Å; W91-I167 HydrophobicContact CH2-CG2 4.34Å; W91-F169 HydrophobicContact CH2-CB 3.76Å; W91-F169 HydrophobicContact CZ2-CB 3.97Å; W91-F196 HydrophobicContact CH2-CD2 4.11Å; W91-F196 HydrophobicContact CH2-CE2 4.5Å; W91-F196 HydrophobicContact CZ3-CD2 4.11Å; W91-F196 HydrophobicContact CZ3-CE2 4.15Å |
| 92 | V | 96.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -138.6 | 5.8 | -171.2 | -62.8 | 0 | 0 | 0 | 0 | 114.5 | I36 I40 L65 H89 Y102 L113 | I36-V92 HydrophobicContact CD1-CG2 3.86Å; I36-V92 HydrophobicContact CG1-CG2 3.86Å; I40-V92 HydrophobicContact CD1-CG1 4.5Å; I40-V92 HydrophobicContact CG1-CG1 4.33Å; L65-V92 HydrophobicContact CD2-CG1 4.29Å; H89-V92 WeakPolarHBondContact O-CG2 3.39Å; H89-V92 PolarHBondContact O-N 3.43Å; V92-Y102 HydrophobicContact CB-CE1 4.39Å; V92-Y102 HydrophobicContact CB-CE2 3.9Å; V92-Y102 HydrophobicContact CG1-CD1 4.43Å; V92-Y102 HydrophobicContact CG1-CE1 4Å; V92-Y102 HydrophobicContact CG1-CE2 4.23Å; V92-L113 HydrophobicContact CG1-CD1 4.17Å |
| 93 | M | 91.5 | Very high | 95.8 | Very high | 4 Ų | 4 | 19.4 Ų | 19.4 | 2% | 0.02 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -78.8 | -20.1 | -176.6 | -66.5 | -35.7 | -77.7 | 0 | 0 | 115.3 | H89 R272 L275 H279 | H89-M93 HydrophobicContact CB-CG 3.99Å; H89-M93 HydrophobicContact CB-SD 3.49Å; H89-M93 WeakPolarHBondContact CB-SD 3.39Å; H89-M93 VanDerWaalsContact CD2-SD 3.59Å; H89-M93 WeakPolarHBondContact O-CG 3.32Å; H89-M93 PolarHBondContact O-N 3.32Å; H89-M93 VanDerWaalsContact O-N 3.15Å; M93-R272 VanDerWaalsContact O-CZ 3.24Å; M93-R272 PolarHBondContact O-NE 2.97Å; M93-R272 PolarHBondContact O-NH2 2.94Å; M93-L275 HydrophobicContact CE-CB 4.48Å; M93-L275 HydrophobicContact CE-CD1 3.94Å; M93-L275 HydrophobicContact CE-CD2 3.54Å; M93-L275 HydrophobicContact CE-CG 3.33Å; M93-H279 HydrophobicContact CE-CB 4.18Å; M93-H279 VanDerWaalsContact CE-CD2 3.49Å; M93-H279 WeakPolarHBondContact CE-CD2 3.25Å |
| 94 | N | 91.6 | Very high | 95.7 | Very high | 6 Ų | 6 | 19.4 Ų | 19.4 | 3% | 0.032 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -87.1 | -179.5 | 175.2 | -85.7 | -27.1 | 0 | 0 | 0 | 111.2 | Q98 S99 F374 W375 | N94-Q98 HydrophobicContact CB-CB 3.82Å; N94-S99 VanDerWaalsContact CA-OG 3.26Å; N94-S99 WeakPolarHBondContact CA-OG 3.34Å; N94-S99 WeakPolarHBondContact CB-OG 3.32Å; N94-S99 PolarHBondContact N-OG 2.92Å; N94-S99 PolarHBondContact O-OG 3.48Å; N94-F374 PolarHBondContact ND2-O 3.01Å; N94-W375 PolarHBondContact ND2-O 3.35Å |
| 95 | L | 92.8 | Very high | 95.7 | Very high | 83 Ų | 83 | 18.1 Ų | 18.1 | 44% | 0.435 | 9% | 0.091 | S | C | . | . | trans | -60 | 159 | 174.6 | -59.5 | 179.3 | 0 | 0 | 0 | 111.3 | N97 Q98 S99 | L95-N97 WeakPolarHBondContact CB-OD1 3.49Å; L95-N97 PolarHBondContact O-N 2.86Å; L95-N97 VanDerWaalsContact O-N 3.13Å; L95-Q98 HydrophobicContact CB-CB 4.42Å; L95-Q98 CarbonylContact O-C 3.54Å; L95-Q98 WeakPolarHBondContact O-CA 3.18Å; L95-Q98 PolarHBondContact O-N 3.18Å; L95-S99 PolarHBondContact O-N 2.94Å; L95-S99 PolarHBondContact O-OG 3.14Å | ||
| 96 | K | 94 | Very high | 95.7 | Very high | 86 Ų | 86 | 20 Ų | 20 | 37% | 0.374 | 10% | 0.102 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -45.2 | -46.9 | 178.8 | -174.9 | 178.4 | -177.6 | -175.1 | 0 | 113.5 | Y45 Q98 Y102 D106 | Y45-K96 HydrophobicContact CE2-CD 3.99Å; Y45-K96 VanDerWaalsContact CE2-CE 3.48Å; Y45-K96 HydrophobicContact CE2-CG 3.91Å; Y45-K96 WeakPolarHBondContact OH-CE 3.49Å; Y45-K96 WeakPolarHBondContact OH-CG 3.41Å; K96-Q98 VanDerWaalsContact C-N 3.28Å; K96-Q98 PolarHBondContact O-N 3.49Å; K96-Y102 VanDerWaalsContact O-CB 3.3Å; K96-Y102 WeakPolarHBondContact O-CB 3.12Å; K96-D106 WeakPolarHBondContact CE-OD2 3.27Å; K96-D106 IonicContact NZ-OD2 3.41Å |
| 97 | N | 94.5 | Very high | 95.5 | Very high | 105 Ų | 105 | 26.2 Ų | 26.2 | 56% | 0.561 | 13% | 0.125 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83 | 4.1 | -178.8 | 67.6 | -28.2 | 0 | 0 | 0 | 114.5 | L95 V380 | L95-N97 WeakPolarHBondContact CB-OD1 3.49Å; L95-N97 PolarHBondContact O-N 2.86Å; L95-N97 VanDerWaalsContact O-N 3.13Å; N97-V380 WeakPolarHBondContact O-CG2 3.23Å |
| 98 | Q | 95.2 | Very high | 95.3 | Very high | 30 Ų | 30 | 26.2 Ų | 26.2 | 14% | 0.14 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125.8 | -11.1 | -177.5 | -70.8 | 176.9 | -32 | 0 | 0 | 113.1 | N94 L95 K96 V380 | N94-Q98 HydrophobicContact CB-CB 3.82Å; L95-Q98 HydrophobicContact CB-CB 4.42Å; L95-Q98 CarbonylContact O-C 3.54Å; L95-Q98 WeakPolarHBondContact O-CA 3.18Å; L95-Q98 PolarHBondContact O-N 3.18Å; K96-Q98 VanDerWaalsContact C-N 3.28Å; K96-Q98 PolarHBondContact O-N 3.49Å; Q98-V380 HydrophobicContact CG-CG2 4.4Å |
| 99 | S | 96.8 | Very high | 95.2 | Very high | 3 Ų | 3 | 26.4 Ų | 26.4 | 2% | 0.021 | 13% | 0.127 | C | C | . | . | trans | -97.2 | 121.5 | 179.9 | -77.5 | 0 | 0 | 0 | 0 | 110.3 | W91 N94 L95 G101 Y102 I103 | W91-S99 WeakPolarHBondContact O-CB 3.5Å; N94-S99 VanDerWaalsContact CA-OG 3.26Å; N94-S99 WeakPolarHBondContact CA-OG 3.34Å; N94-S99 WeakPolarHBondContact CB-OG 3.32Å; N94-S99 PolarHBondContact N-OG 2.92Å; N94-S99 PolarHBondContact O-OG 3.48Å; L95-S99 PolarHBondContact O-N 2.94Å; L95-S99 PolarHBondContact O-OG 3.14Å; S99-G101 VanDerWaalsContact C-N 3.26Å; S99-G101 PolarHBondContact O-N 3.3Å; S99-Y102 VanDerWaalsContact CB-CD2 3.47Å; S99-Y102 PolarHBondContact O-N 3.22Å; S99-Y102 VanDerWaalsContact O-N 3.11Å; S99-I103 WeakPolarHBondContact O-CG1 3.4Å; S99-I103 PolarHBondContact O-N 3.01Å | ||
| 100 | L | 97.8 | Very high | 95.2 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -55.7 | -39.2 | -175.6 | -177.8 | 59.6 | 0 | 0 | 0 | 113.2 | L80 W91 Y102 I103 L104 I167 F196 Y384 L387 | L80-L100 HydrophobicContact CD2-CD2 4.42Å; W91-L100 HydrophobicContact CE3-CB 4.31Å; W91-L100 HydrophobicContact CE3-CD2 3.98Å; W91-L100 HydrophobicContact CZ3-CD2 3.86Å; L100-Y102 VanDerWaalsContact C-N 3.35Å; L100-Y102 PolarHBondContact O-N 3.2Å; L100-I103 PolarHBondContact O-N 3.3Å; L100-L104 HydrophobicContact CD1-CD1 3.86Å; L100-L104 HydrophobicContact CD1-CG 3.94Å; L100-L104 HydrophobicContact CD2-CD1 4.4Å; L100-L104 HydrophobicContact CG-CD1 3.71Å; L100-L104 HydrophobicContact CG-CG 4.28Å; L100-L104 WeakPolarHBondContact O-CB 3.5Å; L100-L104 VanDerWaalsContact O-CG 3.32Å; L100-L104 WeakPolarHBondContact O-CG 3.48Å; L100-L104 PolarHBondContact O-N 2.96Å; L100-I167 HydrophobicContact CD2-CD1 4.11Å; L100-I167 HydrophobicContact CD2-CG2 4.42Å; L100-F196 HydrophobicContact CD2-CE2 3.8Å; L100-F196 HydrophobicContact CD2-CZ 4.33Å; L100-Y384 HydrophobicContact CB-CE1 4.17Å; L100-Y384 HydrophobicContact CB-CE2 4.05Å; L100-Y384 HydrophobicContact CD1-CD1 3.76Å; L100-Y384 HydrophobicContact CD1-CD2 4.3Å; L100-Y384 HydrophobicContact CD1-CE1 4.06Å; L100-Y384 HydrophobicContact CD1-CG 3.9Å; L100-Y384 HydrophobicContact CD2-CE1 4.24Å; L100-Y384 HydrophobicContact CG-CE1 4.39Å; L100-L387 HydrophobicContact CD1-CD2 4.18Å |
| 101 | G | 97.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.2 | -45.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L65 W91 S99 A105 | L65-G101 VanDerWaalsContact CD2-O 3.26Å; L65-G101 WeakPolarHBondContact CD2-O 3.38Å; W91-G101 PolarHBondContact O-N 3.02Å; S99-G101 VanDerWaalsContact C-N 3.26Å; S99-G101 PolarHBondContact O-N 3.3Å; G101-A105 PolarHBondContact O-N 2.86Å; G101-A105 VanDerWaalsContact O-N 3.15Å |
| 102 | Y | 97.3 | Very high | 95.3 | Very high | 1 Ų | 1 | 26.3 Ų | 26.3 | 0% | 0.004 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -67.7 | -44.4 | 178.2 | -67.9 | -35.9 | 0 | 0 | 0 | 112.2 | I40 Q43 Y45 L65 V92 K96 S99 L100 L104 A105 D106 | I40-Y102 WeakPolarHBondContact CA-OH 3.5Å; I40-Y102 HydrophobicContact CB-CE1 4.49Å; I40-Y102 HydrophobicContact CG1-CE1 4.05Å; I40-Y102 HydrophobicContact CG2-CE1 4.43Å; Q43-Y102 HydrophobicContact CB-CE1 4.16Å; Q43-Y102 HydrophobicContact CB-CE2 4.29Å; Q43-Y102 HydrophobicContact CG-CE2 3.94Å; Q43-Y102 WeakPolarHBondContact CG-OH 3.13Å; Y45-Y102 HydrophobicContact CD1-CD1 4.45Å; Y45-Y102 AromaticContact CD2-CD1 3.43Å; Y45-Y102 HydrophobicContact CD2-CD1 3.43Å; Y45-Y102 VanDerWaalsContact CD2-CD1 3.43Å; Y45-Y102 AromaticContact CD2-CE1 3.62Å; Y45-Y102 HydrophobicContact CD2-CE1 3.62Å; Y45-Y102 HydrophobicContact CD2-CG 4.32Å; Y45-Y102 HydrophobicContact CE1-CD1 4.27Å; Y45-Y102 AromaticContact CE2-CD1 3.17Å; Y45-Y102 HydrophobicContact CE2-CD1 3.17Å; Y45-Y102 AromaticContact CE2-CE1 3.79Å; Y45-Y102 HydrophobicContact CE2-CE1 3.79Å; Y45-Y102 AromaticContact CE2-CG 3.64Å; Y45-Y102 HydrophobicContact CE2-CG 3.64Å; Y45-Y102 HydrophobicContact CG-CD1 4.06Å; Y45-Y102 HydrophobicContact CG-CE1 4.3Å; Y45-Y102 AromaticContact CZ-CD1 3.63Å; Y45-Y102 AromaticContact CZ-CG 3.94Å; Y45-Y102 VanDerWaalsContact OH-CB 3.31Å; Y45-Y102 WeakPolarHBondContact OH-CB 3.45Å; Y45-Y102 PolarHBondContact OH-O 3.14Å; L65-Y102 HydrophobicContact CD1-CD1 4.14Å; L65-Y102 HydrophobicContact CD1-CE1 4.1Å; L65-Y102 HydrophobicContact CD2-CD1 3.91Å; L65-Y102 HydrophobicContact CD2-CE1 4.24Å; V92-Y102 HydrophobicContact CB-CE1 4.39Å; V92-Y102 HydrophobicContact CB-CE2 3.9Å; V92-Y102 HydrophobicContact CG1-CD1 4.43Å; V92-Y102 HydrophobicContact CG1-CE1 4Å; V92-Y102 HydrophobicContact CG1-CE2 4.23Å; K96-Y102 VanDerWaalsContact O-CB 3.3Å; K96-Y102 WeakPolarHBondContact O-CB 3.12Å; S99-Y102 VanDerWaalsContact CB-CD2 3.47Å; S99-Y102 PolarHBondContact O-N 3.22Å; S99-Y102 VanDerWaalsContact O-N 3.11Å; L100-Y102 VanDerWaalsContact C-N 3.35Å; L100-Y102 PolarHBondContact O-N 3.2Å; Y102-L104 PolarHBondContact O-N 3.15Å; Y102-A105 PolarHBondContact O-N 2.97Å; Y102-D106 PolarHBondContact O-N 2.77Å |
| 103 | I | 96.8 | Very high | 95.4 | Very high | 15 Ų | 15 | 26.3 Ų | 26.3 | 8% | 0.077 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.3 | -44.8 | 178.1 | -66.8 | 166 | 0 | 0 | 0 | 111.1 | S99 L100 A105 D106 Y107 V380 Y384 L388 | S99-I103 WeakPolarHBondContact O-CG1 3.4Å; S99-I103 PolarHBondContact O-N 3.01Å; L100-I103 PolarHBondContact O-N 3.3Å; I103-A105 VanDerWaalsContact C-N 3.35Å; I103-A105 PolarHBondContact O-N 3.15Å; I103-D106 PolarHBondContact O-N 3.33Å; I103-Y107 HydrophobicContact CG2-CD2 4.29Å; I103-Y107 WeakPolarHBondContact O-CD2 3.33Å; I103-Y107 PolarHBondContact O-N 3.08Å; I103-V380 HydrophobicContact CD1-CG2 3.95Å; I103-Y384 HydrophobicContact CD1-CD2 3.57Å; I103-Y384 HydrophobicContact CD1-CE2 4.15Å; I103-L388 HydrophobicContact CG2-CD1 3.76Å |
| 104 | L | 96.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61.2 | -43.6 | 176.5 | -76.3 | 164.4 | 0 | 0 | 0 | 111.6 | V78 L80 L100 Y102 D106 Y107 G108 Y109 V111 I167 L388 M391 | V78-L104 HydrophobicContact CG1-CB 4.5Å; V78-L104 HydrophobicContact CG1-CD1 3.99Å; V78-L104 HydrophobicContact CG1-CD2 4.49Å; V78-L104 HydrophobicContact CG2-CD1 4.32Å; L80-L104 HydrophobicContact CD1-CD1 4.06Å; L80-L104 HydrophobicContact CD2-CD1 3.85Å; L80-L104 HydrophobicContact CG-CD1 4.46Å; L100-L104 HydrophobicContact CD1-CD1 3.86Å; L100-L104 HydrophobicContact CD1-CG 3.94Å; L100-L104 HydrophobicContact CD2-CD1 4.4Å; L100-L104 HydrophobicContact CG-CD1 3.71Å; L100-L104 HydrophobicContact CG-CG 4.28Å; L100-L104 WeakPolarHBondContact O-CB 3.5Å; L100-L104 VanDerWaalsContact O-CG 3.32Å; L100-L104 WeakPolarHBondContact O-CG 3.48Å; L100-L104 PolarHBondContact O-N 2.96Å; Y102-L104 PolarHBondContact O-N 3.15Å; L104-D106 VanDerWaalsContact C-N 3.34Å; L104-D106 PolarHBondContact O-N 3.5Å; L104-Y107 CarbonylContact O-C 3.59Å; L104-Y107 PolarHBondContact O-N 3.31Å; L104-Y107 VanDerWaalsContact O-N 3.13Å; L104-G108 PolarHBondContact O-N 2.93Å; L104-Y109 HydrophobicContact CB-CD2 4.46Å; L104-Y109 HydrophobicContact CB-CG 4.45Å; L104-Y109 HydrophobicContact CD2-CD1 4.43Å; L104-Y109 HydrophobicContact CD2-CD2 3.88Å; L104-Y109 HydrophobicContact CD2-CE2 4.13Å; L104-Y109 HydrophobicContact CD2-CG 4.05Å; L104-Y109 WeakPolarHBondContact O-CB 3.34Å; L104-Y109 WeakPolarHBondContact O-CD2 3.47Å; L104-Y109 PolarHBondContact O-N 2.86Å; L104-V111 HydrophobicContact CB-CG2 3.59Å; L104-I167 HydrophobicContact CD1-CD1 4.31Å; L104-L388 HydrophobicContact CD2-CD2 3.76Å; L104-M391 HydrophobicContact CD2-CE 3.99Å; L104-M391 HydrophobicContact CD2-SD 3.97Å |
| 105 | A | 95.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63.7 | -38.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y45 L65 T67 S70 G101 Y102 I103 Y107 G108 V111 | Y45-A105 HydrophobicContact CD1-CB 4.01Å; Y45-A105 HydrophobicContact CE1-CB 3.76Å; L65-A105 HydrophobicContact CD2-CB 4.45Å; L65-A105 HydrophobicContact CG-CB 4.16Å; T67-A105 HydrophobicContact CG2-CB 4.2Å; T67-A105 WeakPolarHBondContact CG2-O 3.3Å; T67-A105 PolarHBondContact OG1-O 3.2Å; S70-A105 PolarHBondContact OG-O 3.38Å; G101-A105 PolarHBondContact O-N 2.86Å; G101-A105 VanDerWaalsContact O-N 3.15Å; Y102-A105 PolarHBondContact O-N 2.97Å; I103-A105 VanDerWaalsContact C-N 3.35Å; I103-A105 PolarHBondContact O-N 3.15Å; A105-Y107 VanDerWaalsContact C-N 3.27Å; A105-Y107 PolarHBondContact O-N 3.47Å; A105-G108 PolarHBondContact O-N 2.89Å; A105-G108 VanDerWaalsContact O-N 3.14Å; A105-V111 HydrophobicContact CB-CG2 4.14Å |
| 106 | D | 94.5 | Very high | 96.4 | Very high | 69 Ų | 69 | 22.1 Ų | 22.1 | 37% | 0.369 | 10% | 0.104 | S | C | . | . | H | α-helix | trans | -67.3 | -27.1 | 174.3 | -75.3 | -7.3 | 0 | 0 | 0 | 112.3 | Y45 K96 Y102 I103 L104 G108 | Y45-D106 WeakPolarHBondContact CE1-OD1 3.48Å; Y45-D106 PolarHBondContact OH-OD1 3.15Å; Y45-D106 PolarHBondContact OH-OD2 2.95Å; K96-D106 WeakPolarHBondContact CE-OD2 3.27Å; K96-D106 IonicContact NZ-OD2 3.41Å; Y102-D106 PolarHBondContact O-N 2.77Å; I103-D106 PolarHBondContact O-N 3.33Å; L104-D106 VanDerWaalsContact C-N 3.34Å; L104-D106 PolarHBondContact O-N 3.5Å; D106-G108 PolarHBondContact O-N 2.81Å |
| 107 | Y | 93 | Very high | 96.6 | Very high | 140 Ų | 140 | 18.1 Ų | 18.1 | 55% | 0.549 | 9% | 0.087 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 12.5 | 172.7 | -88.5 | -102.9 | 0 | 0 | 0 | 114 | I103 L104 A105 L388 | I103-Y107 HydrophobicContact CG2-CD2 4.29Å; I103-Y107 WeakPolarHBondContact O-CD2 3.33Å; I103-Y107 PolarHBondContact O-N 3.08Å; L104-Y107 CarbonylContact O-C 3.59Å; L104-Y107 PolarHBondContact O-N 3.31Å; L104-Y107 VanDerWaalsContact O-N 3.13Å; A105-Y107 VanDerWaalsContact C-N 3.27Å; A105-Y107 PolarHBondContact O-N 3.47Å; Y107-L388 HydrophobicContact CD1-CD1 4.04Å; Y107-L388 HydrophobicContact CD1-CD2 4.2Å; Y107-L388 HydrophobicContact CD1-CG 4.5Å; Y107-L388 HydrophobicContact CD2-CD1 3.74Å; Y107-L388 HydrophobicContact CD2-CD2 4.35Å; Y107-L388 HydrophobicContact CE1-CD1 3.99Å; Y107-L388 HydrophobicContact CE2-CD1 3.67Å; Y107-L388 HydrophobicContact CG-CD1 3.91Å; Y107-L388 HydrophobicContact CG-CD2 3.89Å; Y107-L388 HydrophobicContact CG-CG 4.46Å |
| 108 | G | 92.9 | Very high | 96.8 | Very high | 1 Ų | 1 | 13.1 Ų | 13.1 | 1% | 0.01 | 6% | 0.06 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.3 | 12.3 | 173 | 0 | 0 | 0 | 0 | 0 | 115 | L104 A105 D106 | L104-G108 PolarHBondContact O-N 2.93Å; A105-G108 PolarHBondContact O-N 2.89Å; A105-G108 VanDerWaalsContact O-N 3.14Å; D106-G108 PolarHBondContact O-N 2.81Å |
| 109 | Y | 95 | Very high | 96.9 | Very high | 4 Ų | 4 | 11.8 Ų | 11.8 | 2% | 0.016 | 5% | 0.054 | C | C | . | . | trans | -76.2 | 145.5 | 172.4 | -69.4 | -100.6 | 0 | 0 | 0 | 111.3 | S70 K76 V78 L104 L388 M391 E392 Q395 | S70-Y109 VanDerWaalsContact CB-O 3.23Å; S70-Y109 WeakPolarHBondContact CB-O 3.45Å; S70-Y109 PolarHBondContact OG-O 3.23Å; K76-Y109 HydrophobicContact CB-CD1 3.72Å; K76-Y109 HydrophobicContact CB-CE1 4.01Å; K76-Y109 HydrophobicContact CB-CG 4.06Å; K76-Y109 HydrophobicContact CD-CE2 4.39Å; K76-Y109 CarbonylContact O-C 3.46Å; K76-Y109 VanDerWaalsContact O-CA 3.29Å; K76-Y109 WeakPolarHBondContact O-CA 3.39Å; V78-Y109 HydrophobicContact CB-CD1 4.09Å; V78-Y109 HydrophobicContact CG1-CD1 4.01Å; V78-Y109 HydrophobicContact CG1-CG 4.25Å; L104-Y109 HydrophobicContact CB-CD2 4.46Å; L104-Y109 HydrophobicContact CB-CG 4.45Å; L104-Y109 HydrophobicContact CD2-CD1 4.43Å; L104-Y109 HydrophobicContact CD2-CD2 3.88Å; L104-Y109 HydrophobicContact CD2-CE2 4.13Å; L104-Y109 HydrophobicContact CD2-CG 4.05Å; L104-Y109 WeakPolarHBondContact O-CB 3.34Å; L104-Y109 WeakPolarHBondContact O-CD2 3.47Å; L104-Y109 PolarHBondContact O-N 2.86Å; Y109-L388 HydrophobicContact CE2-CD2 4.12Å; Y109-M391 HydrophobicContact CD1-CE 4.16Å; Y109-M391 HydrophobicContact CE1-CB 4.44Å; Y109-M391 HydrophobicContact CE1-CE 3.6Å; Y109-M391 WeakPolarHBondContact OH-CB 3.18Å; Y109-E392 PolarHBondContact OH-N 3.16Å; Y109-Q395 HydrophobicContact CE1-CG 4.09Å | ||
| 110 | D | 95.8 | Very high | 96.8 | Very high | 4 Ų | 4 | 14 Ų | 14 | 2% | 0.021 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 101.5 | 160.8 | -177 | 12 | 0 | 0 | 0 | 107.9 | R64 K76 V77 V78 W112 T159 | R64-D110 WeakPolarHBondContact CG-OD1 3.39Å; R64-D110 IonicContact CZ-OD1 3.74Å; R64-D110 IonicContact CZ-OD2 3.74Å; R64-D110 IonicContact NE-OD1 2.69Å; R64-D110 PolarHBondContact NE-OD1 3.48Å; R64-D110 IonicContact NE-OD2 2.64Å; R64-D110 PolarHBondContact NE-OD2 3.36Å; R64-D110 IonicContact NH2-OD1 2.76Å; R64-D110 PolarHBondContact NH2-OD1 3.43Å; R64-D110 IonicContact NH2-OD2 3.13Å; R64-D110 PolarHBondContact NH2-OD2 2.75Å; K76-D110 PolarHBondContact O-N 2.87Å; V77-D110 HydrophobicContact CG2-CB 4.34Å; V78-D110 PolarHBondContact N-O 2.93Å; V78-D110 VanDerWaalsContact N-O 3.07Å; D110-W112 PolarHBondContact OD1-NE1 3.1Å; D110-W112 PolarHBondContact OD2-NE1 2.82Å; D110-T159 WeakPolarHBondContact OD2-CG2 3.06Å |
| 111 | V | 97.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 122.8 | -168.4 | -175.2 | 0 | 0 | 0 | 0 | 110 | R64 L65 V78 L80 L104 A105 L113 | R64-V111 CarbonylContact C-O 3.51Å; R64-V111 WeakPolarHBondContact CA-O 3.31Å; L65-V111 HydrophobicContact CB-CB 4.19Å; L65-V111 HydrophobicContact CD2-CB 4.48Å; L65-V111 HydrophobicContact CD2-CG1 4.46Å; L65-V111 HydrophobicContact CG-CB 4.46Å; L65-V111 PolarHBondContact N-O 3.07Å; L65-V111 WeakPolarHBondContact O-CB 3.35Å; L65-V111 PolarHBondContact O-N 2.77Å; V78-V111 HydrophobicContact CG1-CB 4.2Å; V78-V111 HydrophobicContact CG1-CG1 4.21Å; V78-V111 HydrophobicContact CG1-CG2 3.88Å; L80-V111 HydrophobicContact CD1-CG1 3.87Å; L80-V111 HydrophobicContact CG-CG1 4.14Å; L104-V111 HydrophobicContact CB-CG2 3.59Å; A105-V111 HydrophobicContact CB-CG2 4.14Å; V111-L113 HydrophobicContact CG1-CD2 3.69Å |
| 112 | W | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 129.2 | 174.1 | -68.8 | 78.5 | 0 | 0 | 0 | 109.6 | H50 L62 I63 R64 V78 L79 L80 D110 H154 I155 V158 T159 | H50-W112 HydrophobicContact CB-CZ3 4.18Å; H50-W112 AromaticContact CD2-CH2 3.97Å; H50-W112 AromaticContact CD2-CZ3 3.85Å; H50-W112 AromaticContact CE1-CH2 3.71Å; H50-W112 AromaticContact CG-CH2 3.97Å; H50-W112 AromaticContact CG-CZ3 3.78Å; H50-W112 AromaticContact ND1-CH2 3.79Å; H50-W112 AromaticContact NE2-CH2 3.82Å; L62-W112 HydrophobicContact CB-CE3 4.19Å; L62-W112 HydrophobicContact CB-CZ3 4.34Å; L62-W112 HydrophobicContact CD1-CE3 4.28Å; L62-W112 HydrophobicContact CD1-CZ3 4.32Å; I63-W112 CarbonylContact O-C 3.36Å; I63-W112 WeakPolarHBondContact O-CA 3.44Å; R64-W112 HydrophobicContact CB-CD2 4.17Å; R64-W112 HydrophobicContact CB-CE3 4.07Å; R64-W112 HydrophobicContact CB-CH2 4.31Å; R64-W112 HydrophobicContact CB-CZ2 4.38Å; R64-W112 HydrophobicContact CB-CZ3 4.15Å; R64-W112 VanDerWaalsContact CD-CZ2 3.5Å; R64-W112 HydrophobicContact CG-CD2 3.97Å; R64-W112 HydrophobicContact CG-CE3 4.35Å; R64-W112 HydrophobicContact CG-CG 4.49Å; R64-W112 HydrophobicContact CG-CH2 4.28Å; R64-W112 HydrophobicContact CG-CZ2 3.87Å; R64-W112 HydrophobicContact CG-CZ3 4.49Å; V78-W112 PolarHBondContact O-N 3.39Å; L79-W112 CarbonylContact C-O 3.59Å; L79-W112 WeakPolarHBondContact CA-O 3.29Å; L79-W112 HydrophobicContact CD1-CB 3.82Å; L79-W112 WeakPolarHBondContact CD1-O 3.37Å; L80-W112 PolarHBondContact N-O 3.11Å; D110-W112 PolarHBondContact OD1-NE1 3.1Å; D110-W112 PolarHBondContact OD2-NE1 2.82Å; W112-H154 AromaticContact CZ3-CD2 3.97Å; W112-I155 HydrophobicContact CB-CD1 3.76Å; W112-I155 HydrophobicContact CB-CG1 4.4Å; W112-I155 HydrophobicContact CD2-CB 4.47Å; W112-I155 HydrophobicContact CD2-CD1 3.99Å; W112-I155 HydrophobicContact CD2-CG1 3.62Å; W112-I155 HydrophobicContact CD2-CG2 4.21Å; W112-I155 HydrophobicContact CE3-CD1 4.21Å; W112-I155 HydrophobicContact CE3-CG1 3.72Å; W112-I155 HydrophobicContact CG-CD1 3.81Å; W112-I155 HydrophobicContact CG-CG1 3.94Å; W112-I155 HydrophobicContact CG-CG2 4.18Å; W112-I155 HydrophobicContact CZ3-CG1 4.2Å; W112-V158 HydrophobicContact CH2-CB 4.12Å; W112-V158 HydrophobicContact CH2-CG1 3.93Å; W112-V158 HydrophobicContact CH2-CG2 4.29Å; W112-V158 HydrophobicContact CZ2-CB 4.15Å; W112-V158 HydrophobicContact CZ2-CG1 3.85Å; W112-T159 HydrophobicContact CZ2-CG2 4.09Å |
| 113 | L | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 115.2 | 176.7 | -41 | 177.5 | 0 | 0 | 0 | 107.9 | I36 I40 I63 L80 W91 V92 V111 | I36-L113 HydrophobicContact CD1-CD1 3.89Å; I40-L113 HydrophobicContact CD1-CD1 4.31Å; I63-L113 HydrophobicContact CB-CB 4.14Å; I63-L113 HydrophobicContact CB-CD1 4.31Å; I63-L113 HydrophobicContact CB-CG 4.42Å; I63-L113 HydrophobicContact CG2-CD1 4.32Å; I63-L113 PolarHBondContact N-O 2.93Å; I63-L113 PolarHBondContact O-N 3.47Å; L80-L113 HydrophobicContact CB-CD2 3.92Å; L80-L113 HydrophobicContact CD1-CD2 3.58Å; L80-L113 HydrophobicContact CG-CD2 3.95Å; W91-L113 HydrophobicContact CB-CD2 3.99Å; W91-L113 HydrophobicContact CG-CD2 4.2Å; V92-L113 HydrophobicContact CG1-CD1 4.17Å; V111-L113 HydrophobicContact CG1-CD2 3.69Å |
| 114 | A | 98.7 | Very high | 96.8 | Very high | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.008 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 153.2 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | L62 L79 L80 H82 T151 | L62-A114 HydrophobicContact CD2-CB 3.98Å; L79-A114 HydrophobicContact CD1-CB 3.88Å; L80-A114 PolarHBondContact O-N 3.17Å; H82-A114 PolarHBondContact CD2-O 3Å; A114-T151 HydrophobicContact CB-CG2 4.38Å |
| 115 | N | 98.8 | Very high | 96.9 | Very high | 2 Ų | 2 | 24.5 Ų | 24.5 | 1% | 0.011 | 11% | 0.112 | C | C | . | . | trans | -128.9 | 119.1 | 171.7 | -72.7 | -66.9 | 0 | 0 | 0 | 109.7 | C61 S88 N119 S122 | C61-N115 WeakPolarHBondContact O-CB 3.4Å; C61-N115 PolarHBondContact O-ND2 2.98Å; S88-N115 WeakPolarHBondContact CB-OD1 3.39Å; S88-N115 PolarHBondContact N-OD1 3.39Å; S88-N115 PolarHBondContact OG-ND2 3.4Å; S88-N115 PolarHBondContact OG-OD1 2.81Å; N115-N119 WeakPolarHBondContact CB-ND2 3.41Å; N115-N119 PolarHBondContact OD1-ND2 2.85Å; N115-N119 VanDerWaalsContact OD1-ND2 3.08Å; N115-S122 VanDerWaalsContact CB-OG 3.27Å; N115-S122 WeakPolarHBondContact CB-OG 3.36Å; N115-S122 PolarHBondContact O-OG 3.12Å | ||
| 116 | S | 98.8 | Very high | 97 | Very high | 3 Ų | 3 | 29.7 Ų | 29.7 | 2% | 0.021 | 13% | 0.134 | C | C | . | . | trans | -68.7 | 147.9 | 177.3 | -60.6 | 0 | 0 | 0 | 0 | 112.1 | Q81 H82 G118 N119 S122 | Q81-S116 PolarHBondContact NE2-OG 3.19Å; H82-S116 PolarHBondContact NE2-N 2.96Å; H82-S116 VanDerWaalsContact NE2-N 3.14Å; S116-G118 PolarHBondContact O-N 2.83Å; S116-N119 WeakPolarHBondContact O-CB 3.46Å; S116-N119 VanDerWaalsContact O-CG 3.26Å; S116-N119 PolarHBondContact O-N 2.95Å; S116-N119 PolarHBondContact O-OD1 2.9Å; S116-S122 WeakPolarHBondContact O-CB 3.39Å | ||
| 117 | R | 98.7 | Very high | 97.2 | Very high | 2 Ų | 2 | 33.2 Ų | 33.2 | 1% | 0.008 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -43.7 | 138.1 | 173.9 | 62.3 | -177.8 | 61 | -152.8 | -8.1 | 113 | D56 Y58 L60 N119 F138 M143 Y146 D147 | D56-R117 IonicContact OD1-CZ 3.56Å; D56-R117 IonicContact OD1-NH1 3.97Å; D56-R117 IonicContact OD1-NH2 2.91Å; D56-R117 PolarHBondContact OD1-NH2 2.88Å; D56-R117 IonicContact OD2-CZ 3.26Å; D56-R117 IonicContact OD2-NH1 2.78Å; D56-R117 PolarHBondContact OD2-NH1 3.4Å; D56-R117 IonicContact OD2-NH2 3.57Å; D56-R117 PolarHBondContact OD2-NH2 3.32Å; Y58-R117 HydrophobicContact CD1-CB 3.75Å; Y58-R117 VanDerWaalsContact CD2-NH1 3.3Å; Y58-R117 HydrophobicContact CE1-CB 4.26Å; Y58-R117 VanDerWaalsContact CE2-NH1 3.28Å; Y58-R117 HydrophobicContact CG-CB 4.19Å; L60-R117 HydrophobicContact CD2-CB 3.93Å; R117-N119 PolarHBondContact O-N 2.84Å; R117-F138 VanDerWaalsContact CD-CG 3.42Å; R117-F138 HydrophobicContact CG-CD1 4.24Å; R117-F138 HydrophobicContact CG-CD2 3.65Å; R117-F138 HydrophobicContact CG-CE1 4.31Å; R117-F138 HydrophobicContact CG-CE2 3.76Å; R117-F138 HydrophobicContact CG-CG 3.92Å; R117-F138 HydrophobicContact CG-CZ 4.1Å; R117-F138 WeakPolarHBondContact O-CE2 3.34Å; R117-F138 WeakPolarHBondContact O-CZ 3.43Å; R117-M143 HydrophobicContact CG-CE 4.02Å; R117-M143 HydrophobicContact CG-CG 3.91Å; R117-Y146 VanDerWaalsContact NH2-CB 3.29Å; R117-D147 WeakPolarHBondContact CG-OD2 3.4Å; R117-D147 IonicContact CZ-OD1 3.49Å; R117-D147 PolarHBondContact N-OD2 2.7Å; R117-D147 IonicContact NE-OD1 3.01Å; R117-D147 PolarHBondContact NE-OD1 3.29Å; R117-D147 IonicContact NE-OD2 3.56Å; R117-D147 PolarHBondContact NE-OD2 3.29Å; R117-D147 IonicContact NH2-OD1 3.77Å; R117-D147 PolarHBondContact NH2-OD1 2.81Å |
| 118 | G | 97.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.2 | -6 | 178 | 0 | 0 | 0 | 0 | 0 | 115.9 | S116 S122 W136 | S116-G118 PolarHBondContact O-N 2.83Å; G118-S122 PolarHBondContact N-O 2.73Å; G118-W136 WeakPolarHBondContact O-CH2 2.98Å; G118-W136 WeakPolarHBondContact O-CZ3 3.17Å |
| 119 | N | 97.5 | Very high | 97.4 | Very high | 2 Ų | 2 | 32.8 Ų | 32.8 | 1% | 0.011 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -74.1 | 176.4 | 167.8 | 90 | -1.2 | 0 | 0 | 0 | 111.1 | H82 D86 N115 S116 R117 Y121 S122 K123 A282 | H82-N119 PolarHBondContact NE2-ND2 3.05Å; H82-N119 VanDerWaalsContact NE2-ND2 3.11Å; D86-N119 PolarHBondContact O-ND2 3.37Å; N115-N119 WeakPolarHBondContact CB-ND2 3.41Å; N115-N119 PolarHBondContact OD1-ND2 2.85Å; N115-N119 VanDerWaalsContact OD1-ND2 3.08Å; S116-N119 WeakPolarHBondContact O-CB 3.46Å; S116-N119 VanDerWaalsContact O-CG 3.26Å; S116-N119 PolarHBondContact O-N 2.95Å; S116-N119 PolarHBondContact O-OD1 2.9Å; R117-N119 PolarHBondContact O-N 2.84Å; N119-Y121 PolarHBondContact O-N 3.46Å; N119-Y121 PolarHBondContact OD1-N 3.12Å; N119-S122 PolarHBondContact O-N 3.05Å; N119-S122 PolarHBondContact OD1-N 3.2Å; N119-S122 VanDerWaalsContact OD1-N 3.09Å; N119-K123 WeakPolarHBondContact O-CE 3.35Å; N119-K123 WeakPolarHBondContact O-CG 3.38Å; N119-A282 CarbonylContact C-O 3.58Å; N119-A282 VanDerWaalsContact CA-O 3.28Å; N119-A282 WeakPolarHBondContact CA-O 3.44Å; N119-A282 HydrophobicContact CB-CB 4.41Å |
| 120 | T | 95.7 | Very high | 97.4 | Very high | 49 Ų | 49 | 34.6 Ų | 34.6 | 30% | 0.301 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53 | -32.3 | -174.4 | -64.1 | 0 | 0 | 0 | 0 | 114.2 | S234 A282 | T120-S234 WeakPolarHBondContact OG1-CB 3.36Å; T120-A282 PolarHBondContact N-O 2.55Å; T120-A282 PolarHBondContact OG1-O 3.02Å |
| 121 | Y | 97.1 | Very high | 97.1 | Very high | 39 Ų | 39 | 36.8 Ų | 36.8 | 15% | 0.153 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | -19.9 | -176.7 | -68.2 | -75.8 | 0 | 0 | 0 | 114.3 | I36 C61 H89 N119 | I36-Y121 HydrophobicContact CB-CE1 4.37Å; I36-Y121 HydrophobicContact CB-CE2 4.39Å; I36-Y121 VanDerWaalsContact CB-OH 3.3Å; I36-Y121 WeakPolarHBondContact CB-OH 3.23Å; I36-Y121 HydrophobicContact CG2-CD1 4.37Å; I36-Y121 HydrophobicContact CG2-CE1 3.62Å; I36-Y121 HydrophobicContact CG2-CE2 4.2Å; I36-Y121 WeakPolarHBondContact CG2-OH 3.47Å; I36-Y121 PolarHBondContact N-OH 2.94Å; C61-Y121 VanDerWaalsContact CB-O 3.22Å; C61-Y121 WeakPolarHBondContact CB-O 3.24Å; H89-Y121 AromaticContact CE1-CE2 3.47Å; H89-Y121 VanDerWaalsContact CE1-CE2 3.47Å; H89-Y121 WeakPolarHBondContact CE1-CE2 3.46Å; H89-Y121 AromaticContact CE1-CZ 3.54Å; H89-Y121 PolarHBondContact CE1-OH 3.08Å; H89-Y121 AromaticContact ND1-CE2 3.58Å; H89-Y121 AromaticContact NE2-CZ 4Å; H89-Y121 PolarHBondContact NE2-OH 2.9Å; N119-Y121 PolarHBondContact O-N 3.46Å; N119-Y121 PolarHBondContact OD1-N 3.12Å |
| 122 | S | 98 | Very high | 96.9 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | -116.3 | 44.6 | -175.5 | -66 | 0 | 0 | 0 | 0 | 111.5 | L60 C61 N115 S116 G118 N119 Y135 | L60-S122 WeakPolarHBondContact CA-OG 3.35Å; C61-S122 PolarHBondContact N-OG 2.89Å; C61-S122 VanDerWaalsContact N-OG 3.14Å; N115-S122 VanDerWaalsContact CB-OG 3.27Å; N115-S122 WeakPolarHBondContact CB-OG 3.36Å; N115-S122 PolarHBondContact O-OG 3.12Å; S116-S122 WeakPolarHBondContact O-CB 3.39Å; G118-S122 PolarHBondContact N-O 2.73Å; N119-S122 PolarHBondContact O-N 3.05Å; N119-S122 PolarHBondContact OD1-N 3.2Å; N119-S122 VanDerWaalsContact OD1-N 3.09Å; S122-Y135 PolarHBondContact O-OH 2.79Å | ||
| 123 | K | 95.9 | Very high | 96.5 | Very high | 59 Ų | 59 | 47.2 Ų | 47.2 | 26% | 0.257 | 23% | 0.23 | S | C | . | . | trans | -96.5 | 31 | -175.4 | -108.2 | -172.1 | -71.1 | -168.5 | 0 | 115.1 | N119 Y135 W136 E230 | N119-K123 WeakPolarHBondContact O-CE 3.35Å; N119-K123 WeakPolarHBondContact O-CG 3.38Å; K123-Y135 VanDerWaalsContact C-OH 3.24Å; K123-Y135 WeakPolarHBondContact CA-OH 3.36Å; K123-W136 HydrophobicContact CD-CH2 4.1Å; K123-W136 HydrophobicContact CD-CZ2 4.37Å; K123-W136 HydrophobicContact CG-CH2 4.27Å; K123-E230 WeakPolarHBondContact CD-OE1 3.32Å; K123-E230 IonicContact NZ-OE1 2.87Å; K123-E230 PolarHBondContact NZ-OE1 2.86Å | ||
| 124 | K | 97.9 | Very high | 96.3 | Very high | 110 Ų | 110 | 52.7 Ų | 52.7 | 48% | 0.478 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 152.1 | -176 | -69.6 | 179.4 | -173.2 | 176.7 | 0 | 111.5 | E51 I59 Y135 | E51-K124 IonicContact OE1-NZ 2.74Å; E51-K124 PolarHBondContact OE1-NZ 3.2Å; I59-K124 HydrophobicContact CB-CB 3.79Å; I59-K124 HydrophobicContact CD1-CB 4.34Å; I59-K124 HydrophobicContact CG2-CB 4.39Å; I59-K124 PolarHBondContact N-O 2.88Å; K124-Y135 PolarHBondContact N-OH 2.9Å |
| 125 | H | 98.5 | Very high | 96.2 | Very high | 29 Ų | 29 | 52.7 Ų | 52.7 | 13% | 0.134 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 150.9 | 175.3 | -175.6 | -88.3 | 0 | 0 | 0 | 109.5 | D56 Q57 Y58 H127 L128 Y135 | D56-H125 PolarHBondContact O-NE2 2.89Å; Q57-H125 WeakPolarHBondContact O-CA 3.28Å; Q57-H125 PolarHBondContact O-CD2 2.76Å; Q57-H125 VanDerWaalsContact O-CD2 3.25Å; Y58-H125 AromaticContact CD2-CD2 3.54Å; Y58-H125 AromaticContact CE2-CD2 3.68Å; Y58-H125 AromaticContact CG-CD2 3.75Å; Y58-H125 PolarHBondContact N-CD2 3.01Å; H125-H127 VanDerWaalsContact C-N 3.29Å; H125-H127 PolarHBondContact ND1-N 3.09Å; H125-H127 VanDerWaalsContact ND1-N 3.11Å; H125-H127 PolarHBondContact O-N 3.05Å; H125-L128 HydrophobicContact CB-CB 4.14Å; H125-L128 WeakPolarHBondContact CB-O 3.5Å; H125-L128 WeakPolarHBondContact ND1-CB 3.21Å; H125-L128 WeakPolarHBondContact ND1-CG 3.36Å; H125-L128 PolarHBondContact ND1-N 2.99Å; H125-Y135 HydrophobicContact CB-CD2 3.84Å; H125-Y135 HydrophobicContact CB-CE2 3.72Å |
| 126 | K | 98 | Very high | 96.2 | Very high | 109 Ų | 109 | 52.9 Ų | 52.9 | 47% | 0.474 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -67.2 | -27.7 | -175.9 | -67.1 | -159.8 | -174.2 | 145.4 | 0 | 114.6 | T53 Q57 I59 | T53-K126 HydrophobicContact CG2-CD 4.27Å; T53-K126 HydrophobicContact CG2-CG 4.26Å; Q57-K126 HydrophobicContact CB-CB 4.1Å; Q57-K126 HydrophobicContact CB-CG 4.22Å; Q57-K126 PolarHBondContact O-N 3.04Å; I59-K126 HydrophobicContact CD1-CG 4.33Å |
| 127 | H | 97.6 | Very high | 96 | Very high | 144 Ų | 144 | 57.3 Ų | 57.3 | 67% | 0.667 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -129.1 | -7 | -171.1 | -55.6 | -53.9 | 0 | 0 | 0 | 114.6 | H125 | H125-H127 VanDerWaalsContact C-N 3.29Å; H125-H127 PolarHBondContact ND1-N 3.09Å; H125-H127 VanDerWaalsContact ND1-N 3.11Å; H125-H127 PolarHBondContact O-N 3.05Å |
| 128 | L | 96.9 | Very high | 96 | Very high | 47 Ų | 47 | 57.2 Ų | 57.2 | 25% | 0.246 | 28% | 0.279 | C | S | . | . | trans | -126.8 | 144 | -173.3 | -61 | 173.7 | 0 | 0 | 0 | 108.7 | H125 E134 Y135 | H125-L128 HydrophobicContact CB-CB 4.14Å; H125-L128 WeakPolarHBondContact CB-O 3.5Å; H125-L128 WeakPolarHBondContact ND1-CB 3.21Å; H125-L128 WeakPolarHBondContact ND1-CG 3.36Å; H125-L128 PolarHBondContact ND1-N 2.99Å; L128-E134 HydrophobicContact CD1-CB 4.23Å; L128-E134 HydrophobicContact CD2-CB 4.19Å; L128-Y135 HydrophobicContact CB-CD2 4.17Å | ||
| 129 | D | 94.6 | Very high | 96 | Very high | 84 Ų | 84 | 57.2 Ų | 57.2 | 45% | 0.449 | 28% | 0.279 | S | S | . | . | trans | -99.8 | 148.7 | 171.6 | -175.7 | -95.3 | 0 | 0 | 0 | 110.5 | S131 Q132 Y135 | D129-S131 PolarHBondContact O-N 3.26Å; D129-S131 WeakPolarHBondContact OD1-CB 3.41Å; D129-S131 PolarHBondContact OD1-N 3.05Å; D129-S131 PolarHBondContact OD1-OG 3.1Å; D129-Q132 HydrophobicContact CB-CG 4.39Å; D129-Q132 WeakPolarHBondContact O-CB 3.35Å; D129-Q132 PolarHBondContact O-N 3.3Å; D129-Y135 VanDerWaalsContact O-CB 3.31Å; D129-Y135 WeakPolarHBondContact O-CB 3.34Å | ||
| 130 | S | 93.7 | Very high | 96.1 | Very high | 42 Ų | 42 | 57.1 Ų | 57.1 | 29% | 0.294 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -12.6 | 177.2 | 65.2 | 0 | 0 | 0 | 0 | 114.4 | Q132 W136 | S130-Q132 VanDerWaalsContact C-N 3.34Å; S130-W136 PolarHBondContact O-NE1 3.04Å |
| 131 | S | 91.1 | Very high | 96.2 | Very high | 51 Ų | 51 | 55.5 Ų | 55.5 | 36% | 0.357 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -12.3 | 170 | 65.2 | 0 | 0 | 0 | 0 | 114.4 | D129 R228 | D129-S131 PolarHBondContact O-N 3.26Å; D129-S131 WeakPolarHBondContact OD1-CB 3.41Å; D129-S131 PolarHBondContact OD1-N 3.05Å; D129-S131 PolarHBondContact OD1-OG 3.1Å; S131-R228 WeakPolarHBondContact O-CD 3.43Å |
| 132 | Q | 92.8 | Very high | 96.3 | Very high | 77 Ų | 77 | 54.7 Ų | 54.7 | 36% | 0.36 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -90.9 | 141.4 | -179.7 | -60.4 | -179.2 | -90.2 | 0 | 0 | 110.7 | D129 S130 E134 Y135 | D129-Q132 HydrophobicContact CB-CG 4.39Å; D129-Q132 WeakPolarHBondContact O-CB 3.35Å; D129-Q132 PolarHBondContact O-N 3.3Å; S130-Q132 VanDerWaalsContact C-N 3.34Å; Q132-E134 VanDerWaalsContact C-N 3.27Å; Q132-E134 PolarHBondContact O-N 3.43Å; Q132-Y135 WeakPolarHBondContact O-CB 3.28Å; Q132-Y135 PolarHBondContact O-N 3.01Å |
| 133 | K | 90.3 | Very high | 96.3 | Very high | 141 Ų | 141 | 54.8 Ų | 54.8 | 61% | 0.613 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -65.9 | -34.4 | -178.6 | -176.8 | -175.6 | 173.5 | -170.6 | 0 | 111.5 | Y135 W136 | K133-Y135 PolarHBondContact O-N 2.76Å; K133-W136 PolarHBondContact O-N 2.87Å |
| 134 | E | 93.9 | Very high | 96.5 | Very high | 116 Ų | 116 | 52 Ų | 52 | 54% | 0.542 | 25% | 0.254 | S | S | . | . | G | 310 helix | trans | -61.3 | -30.6 | 179.1 | -62.5 | 77.9 | -174.8 | 0 | 0 | 111.7 | L128 Q132 W136 D137 | L128-E134 HydrophobicContact CD1-CB 4.23Å; L128-E134 HydrophobicContact CD2-CB 4.19Å; Q132-E134 VanDerWaalsContact C-N 3.27Å; Q132-E134 PolarHBondContact O-N 3.43Å; E134-W136 PolarHBondContact O-N 3.31Å; E134-D137 PolarHBondContact O-N 3.27Å |
| 135 | Y | 97.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -63.5 | -26.2 | 172.8 | 179 | -84.6 | 0 | 0 | 0 | 112.3 | Y58 S122 K123 K124 H125 L128 D129 Q132 K133 F138 | Y58-Y135 HydrophobicContact CD1-CE2 4.07Å; Y58-Y135 HydrophobicContact CE1-CD2 4.16Å; Y58-Y135 HydrophobicContact CE1-CE1 4.41Å; Y58-Y135 AromaticContact CE1-CE2 3.8Å; Y58-Y135 HydrophobicContact CE1-CE2 3.8Å; Y58-Y135 AromaticContact CE1-CZ 3.88Å; Y58-Y135 PolarHBondContact OH-O 3.17Å; S122-Y135 PolarHBondContact O-OH 2.79Å; K123-Y135 VanDerWaalsContact C-OH 3.24Å; K123-Y135 WeakPolarHBondContact CA-OH 3.36Å; K124-Y135 PolarHBondContact N-OH 2.9Å; H125-Y135 HydrophobicContact CB-CD2 3.84Å; H125-Y135 HydrophobicContact CB-CE2 3.72Å; L128-Y135 HydrophobicContact CB-CD2 4.17Å; D129-Y135 VanDerWaalsContact O-CB 3.31Å; D129-Y135 WeakPolarHBondContact O-CB 3.34Å; Q132-Y135 WeakPolarHBondContact O-CB 3.28Å; Q132-Y135 PolarHBondContact O-N 3.01Å; K133-Y135 PolarHBondContact O-N 2.76Å; Y135-F138 VanDerWaalsContact O-CD1 3.31Å; Y135-F138 WeakPolarHBondContact O-CD1 3.05Å; Y135-F138 WeakPolarHBondContact O-CE1 3.31Å |
| 136 | W | 97.2 | Very high | 96.5 | Very high | 7 Ų | 7 | 51.3 Ų | 51.3 | 3% | 0.027 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -100.2 | 9.3 | -177.3 | -62.1 | 98.6 | 0 | 0 | 0 | 113.1 | G118 K123 S130 K133 E134 F138 E230 S285 | G118-W136 WeakPolarHBondContact O-CH2 2.98Å; G118-W136 WeakPolarHBondContact O-CZ3 3.17Å; K123-W136 HydrophobicContact CD-CH2 4.1Å; K123-W136 HydrophobicContact CD-CZ2 4.37Å; K123-W136 HydrophobicContact CG-CH2 4.27Å; S130-W136 PolarHBondContact O-NE1 3.04Å; K133-W136 PolarHBondContact O-N 2.87Å; E134-W136 PolarHBondContact O-N 3.31Å; W136-F138 AromaticContact CE3-CE1 3.82Å; W136-F138 HydrophobicContact CE3-CE1 3.82Å; W136-F138 AromaticContact CE3-CZ 3.82Å; W136-F138 HydrophobicContact CE3-CZ 3.82Å; W136-F138 HydrophobicContact CZ3-CE1 4.36Å; W136-F138 HydrophobicContact CZ3-CZ 4.07Å; W136-F138 PolarHBondContact O-N 2.63Å; W136-E230 HydrophobicContact CD2-CB 4.15Å; W136-E230 HydrophobicContact CE3-CB 4.37Å; W136-E230 HydrophobicContact CH2-CB 3.7Å; W136-E230 VanDerWaalsContact CH2-CD 3.48Å; W136-E230 HydrophobicContact CH2-CG 3.34Å; W136-E230 WeakPolarHBondContact CH2-OE1 3.11Å; W136-E230 HydrophobicContact CZ2-CB 3.43Å; W136-E230 VanDerWaalsContact CZ2-CB 3.43Å; W136-E230 VanDerWaalsContact CZ2-CD 3.48Å; W136-E230 HydrophobicContact CZ2-CG 3.52Å; W136-E230 HydrophobicContact CZ3-CB 4.16Å; W136-E230 HydrophobicContact CZ3-CG 3.94Å; W136-S285 WeakPolarHBondContact O-CB 3.28Å |
| 137 | D | 95.8 | Very high | 96.5 | Very high | 95 Ų | 95 | 46.4 Ų | 46.4 | 51% | 0.508 | 23% | 0.233 | S | C | . | . | trans | -82.3 | 47.1 | -179.3 | -168.4 | 26.6 | 0 | 0 | 0 | 113.4 | E134 K287 | E134-D137 PolarHBondContact O-N 3.27Å; D137-K287 PolarHBondContact O-NZ 3.25Å; D137-K287 WeakPolarHBondContact OD1-CD 3.49Å; D137-K287 WeakPolarHBondContact OD1-CE 3.31Å; D137-K287 IonicContact OD1-NZ 2.75Å; D137-K287 PolarHBondContact OD1-NZ 2.86Å; D137-K287 IonicContact OD2-NZ 2.64Å | ||
| 138 | F | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | -128.7 | 163.2 | 177.4 | 65.9 | -99.4 | 0 | 0 | 0 | 111.7 | Y58 R117 Y135 W136 E142 M143 S285 K287 | Y58-F138 HydrophobicContact CE1-CD1 4.06Å; Y58-F138 HydrophobicContact CE1-CE1 4.3Å; R117-F138 VanDerWaalsContact CD-CG 3.42Å; R117-F138 HydrophobicContact CG-CD1 4.24Å; R117-F138 HydrophobicContact CG-CD2 3.65Å; R117-F138 HydrophobicContact CG-CE1 4.31Å; R117-F138 HydrophobicContact CG-CE2 3.76Å; R117-F138 HydrophobicContact CG-CG 3.92Å; R117-F138 HydrophobicContact CG-CZ 4.1Å; R117-F138 WeakPolarHBondContact O-CE2 3.34Å; R117-F138 WeakPolarHBondContact O-CZ 3.43Å; Y135-F138 VanDerWaalsContact O-CD1 3.31Å; Y135-F138 WeakPolarHBondContact O-CD1 3.05Å; Y135-F138 WeakPolarHBondContact O-CE1 3.31Å; W136-F138 AromaticContact CE3-CE1 3.82Å; W136-F138 HydrophobicContact CE3-CE1 3.82Å; W136-F138 AromaticContact CE3-CZ 3.82Å; W136-F138 HydrophobicContact CE3-CZ 3.82Å; W136-F138 HydrophobicContact CZ3-CE1 4.36Å; W136-F138 HydrophobicContact CZ3-CZ 4.07Å; W136-F138 PolarHBondContact O-N 2.63Å; F138-E142 WeakPolarHBondContact CA-OE2 3.3Å; F138-E142 HydrophobicContact CB-CB 4.06Å; F138-E142 HydrophobicContact CB-CG 4.23Å; F138-M143 HydrophobicContact CD2-CE 3.85Å; F138-M143 HydrophobicContact CE2-CE 3.6Å; F138-S285 PolarHBondContact O-OG 3.09Å; F138-K287 WeakPolarHBondContact O-CB 3.37Å | ||
| 139 | S | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | trans | -134.6 | -171.3 | 166.5 | 68.1 | 0 | 0 | 0 | 0 | 110 | Q141 E142 M143 H291 | S139-Q141 PolarHBondContact O-N 3.38Å; S139-Q141 VanDerWaalsContact O-N 3.11Å; S139-Q141 VanDerWaalsContact OG-CB 3.24Å; S139-Q141 WeakPolarHBondContact OG-CB 3.33Å; S139-Q141 PolarHBondContact OG-N 3.18Å; S139-E142 PolarHBondContact N-OE2 2.87Å; S139-E142 PolarHBondContact O-N 2.94Å; S139-E142 PolarHBondContact OG-OE2 2.89Å; S139-M143 PolarHBondContact O-N 2.03Å; S139-H291 WeakPolarHBondContact CB-ND1 3.12Å; S139-H291 PolarHBondContact OG-ND1 2.91Å | ||
| 140 | W | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -55.3 | -23.3 | 168.9 | 63.6 | -103 | 0 | 0 | 0 | 112.6 | M143 S144 Q171 L174 I175 T178 N288 H291 F292 M295 L301 Q302 Y323 | W140-M143 WeakPolarHBondContact O-CB 3.44Å; W140-M143 PolarHBondContact O-N 3.36Å; W140-S144 WeakPolarHBondContact O-CB 3.43Å; W140-S144 PolarHBondContact O-N 2.85Å; W140-Q171 HydrophobicContact CB-CG 4.02Å; W140-L174 HydrophobicContact CB-CD2 4.31Å; W140-L174 HydrophobicContact CD2-CD1 4.45Å; W140-L174 HydrophobicContact CD2-CD2 3.61Å; W140-L174 HydrophobicContact CD2-CG 4.03Å; W140-L174 HydrophobicContact CE3-CD1 4.16Å; W140-L174 HydrophobicContact CE3-CD2 4.09Å; W140-L174 HydrophobicContact CE3-CG 3.97Å; W140-L174 HydrophobicContact CG-CD2 3.69Å; W140-L174 HydrophobicContact CG-CG 4.4Å; W140-L174 HydrophobicContact CH2-CD1 4.36Å; W140-L174 HydrophobicContact CZ2-CD2 4.48Å; W140-L174 HydrophobicContact CZ3-CD1 4.15Å; W140-L174 HydrophobicContact CZ3-CG 4.45Å; W140-I175 HydrophobicContact CB-CG1 4.45Å; W140-T178 HydrophobicContact CH2-CG2 4.49Å; W140-T178 HydrophobicContact CZ3-CG2 3.95Å; W140-N288 PolarHBondContact N-OD1 3.01Å; W140-H291 AromaticContact CD1-ND1 3.82Å; W140-H291 AromaticContact CE2-CE1 3.33Å; W140-H291 AromaticContact CE2-CG 3.97Å; W140-H291 AromaticContact CE2-ND1 3.46Å; W140-H291 AromaticContact CE2-NE2 3.79Å; W140-H291 AromaticContact CH2-CE1 3.92Å; W140-H291 AromaticContact CZ2-CE1 3.17Å; W140-H291 WeakPolarHBondContact CZ2-CE1 3.27Å; W140-H291 AromaticContact CZ2-ND1 3.81Å; W140-H291 AromaticContact CZ2-NE2 3.36Å; W140-H291 WeakPolarHBondContact CZ2-NE2 3.45Å; W140-H291 AromaticContact NE1-CD2 3.78Å; W140-H291 AromaticContact NE1-CE1 3.55Å; W140-H291 AromaticContact NE1-CG 3.35Å; W140-H291 VanDerWaalsContact NE1-CG 3.35Å; W140-H291 AromaticContact NE1-ND1 3.21Å; W140-H291 PolarHBondContact NE1-ND1 2.91Å; W140-H291 AromaticContact NE1-NE2 3.89Å; W140-F292 AromaticContact CD1-CE2 3.96Å; W140-M295 HydrophobicContact CZ2-CE 4.06Å; W140-M295 HydrophobicContact CZ2-SD 3.55Å; W140-M295 VanDerWaalsContact CZ2-SD 3.55Å; W140-M295 PolarHBondContact NE1-SD 2.73Å; W140-L301 HydrophobicContact CH2-CD1 4.23Å; W140-Q302 WeakPolarHBondContact CH2-O 3.42Å; W140-Q302 VanDerWaalsContact CZ2-O 3.32Å; W140-Q302 WeakPolarHBondContact CZ2-O 3.4Å; W140-Y323 AromaticContact CH2-CD2 3.92Å; W140-Y323 HydrophobicContact CH2-CD2 3.92Å; W140-Y323 AromaticContact CH2-CE2 3.5Å; W140-Y323 HydrophobicContact CH2-CE2 3.5Å; W140-Y323 HydrophobicContact CZ3-CD2 4.39Å; W140-Y323 AromaticContact CZ3-CE2 3.8Å; W140-Y323 HydrophobicContact CZ3-CE2 3.8Å |
| 141 | Q | 98.4 | Very high | 97.1 | Very high | 16 Ų | 16 | 32.6 Ų | 32.6 | 8% | 0.075 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -58.4 | -50.3 | 175.6 | -178 | -179.4 | -68.4 | 0 | 0 | 111.4 | S139 M143 S144 S145 | S139-Q141 PolarHBondContact O-N 3.38Å; S139-Q141 VanDerWaalsContact O-N 3.11Å; S139-Q141 VanDerWaalsContact OG-CB 3.24Å; S139-Q141 WeakPolarHBondContact OG-CB 3.33Å; S139-Q141 PolarHBondContact OG-N 3.18Å; Q141-M143 VanDerWaalsContact C-N 3.33Å; Q141-M143 PolarHBondContact O-N 2.82Å; Q141-S144 WeakPolarHBondContact O-CB 3.37Å; Q141-S144 PolarHBondContact O-N 2.67Å; Q141-S145 PolarHBondContact O-N 2.95Å; Q141-S145 PolarHBondContact O-OG 3.41Å |
| 142 | E | 98.7 | Very high | 97.4 | Very high | 22 Ų | 22 | 30.2 Ų | 30.2 | 10% | 0.103 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -71.2 | -30.8 | 178.7 | -70.9 | 65.3 | -130.3 | 0 | 0 | 111.5 | F138 S139 S144 S145 Y146 | F138-E142 WeakPolarHBondContact CA-OE2 3.3Å; F138-E142 HydrophobicContact CB-CB 4.06Å; F138-E142 HydrophobicContact CB-CG 4.23Å; S139-E142 PolarHBondContact N-OE2 2.87Å; S139-E142 PolarHBondContact O-N 2.94Å; S139-E142 PolarHBondContact OG-OE2 2.89Å; E142-S144 VanDerWaalsContact C-N 3.29Å; E142-S144 PolarHBondContact O-N 3.2Å; E142-S145 PolarHBondContact O-N 3.15Å; E142-Y146 HydrophobicContact CB-CD2 3.94Å; E142-Y146 HydrophobicContact CB-CE2 4.3Å; E142-Y146 HydrophobicContact CG-CD2 4.22Å; E142-Y146 HydrophobicContact CG-CE2 4.06Å; E142-Y146 VanDerWaalsContact O-CB 3.32Å; E142-Y146 WeakPolarHBondContact O-CB 3.49Å; E142-Y146 PolarHBondContact O-N 2.99Å |
| 143 | M | 98.9 | Very high | 97.7 | Very high | 2 Ų | 2 | 32.8 Ų | 32.8 | 1% | 0.01 | 15% | 0.153 | C | C | . | . | I | π-helix | trans | -61.5 | -40.1 | 170.5 | -59 | 170.9 | -171.8 | 0 | 0 | 111.3 | R117 F138 S139 W140 Q141 D147 F148 Q171 I175 | R117-M143 HydrophobicContact CG-CE 4.02Å; R117-M143 HydrophobicContact CG-CG 3.91Å; F138-M143 HydrophobicContact CD2-CE 3.85Å; F138-M143 HydrophobicContact CE2-CE 3.6Å; S139-M143 PolarHBondContact O-N 2.03Å; W140-M143 WeakPolarHBondContact O-CB 3.44Å; W140-M143 PolarHBondContact O-N 3.36Å; Q141-M143 VanDerWaalsContact C-N 3.33Å; Q141-M143 PolarHBondContact O-N 2.82Å; M143-D147 HydrophobicContact CB-CB 4.38Å; M143-D147 WeakPolarHBondContact O-CB 3.15Å; M143-D147 PolarHBondContact O-N 2.89Å; M143-D147 VanDerWaalsContact O-N 3.16Å; M143-F148 PolarHBondContact O-N 2.82Å; M143-Q171 PolarHBondContact SD-NE2 3.05Å; M143-I175 HydrophobicContact CB-CD1 3.74Å; M143-I175 HydrophobicContact CB-CG1 3.98Å; M143-I175 HydrophobicContact CG-CD1 4.42Å; M143-I175 HydrophobicContact SD-CD1 3.88Å |
| 144 | S | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | I | π-helix | trans | -67.6 | -48.5 | 174.7 | 178.4 | 0 | 0 | 0 | 0 | 112.2 | W140 Q141 E142 Y146 P149 I175 T178 A179 | W140-S144 WeakPolarHBondContact O-CB 3.43Å; W140-S144 PolarHBondContact O-N 2.85Å; Q141-S144 WeakPolarHBondContact O-CB 3.37Å; Q141-S144 PolarHBondContact O-N 2.67Å; E142-S144 VanDerWaalsContact C-N 3.29Å; E142-S144 PolarHBondContact O-N 3.2Å; S144-Y146 PolarHBondContact O-N 3.07Å; S144-P149 VanDerWaalsContact O-CD 3.24Å; S144-P149 WeakPolarHBondContact O-CD 3.4Å; S144-I175 PolarHBondContact OG-O 2.9Å; S144-T178 VanDerWaalsContact CB-OG1 3.31Å; S144-T178 WeakPolarHBondContact CB-OG1 3.44Å; S144-T178 WeakPolarHBondContact OG-CB 3.46Å; S144-T178 PolarHBondContact OG-OG1 2.76Å; S144-A179 VanDerWaalsContact O-CB 3.32Å; S144-A179 WeakPolarHBondContact O-CB 3.48Å; S144-A179 VanDerWaalsContact OG-CA 3.28Å; S144-A179 WeakPolarHBondContact OG-CA 3.42Å; S144-A179 WeakPolarHBondContact OG-CB 3.49Å; S144-A179 PolarHBondContact OG-N 3.37Å |
| 145 | S | 98.2 | Very high | 98.2 | Very high | 40 Ų | 40 | 22.8 Ų | 22.8 | 28% | 0.28 | 11% | 0.109 | S | C | . | . | I | π-helix | trans | -74.3 | -25.9 | -176 | -63.5 | 0 | 0 | 0 | 0 | 114.4 | Q141 E142 | Q141-S145 PolarHBondContact O-N 2.95Å; Q141-S145 PolarHBondContact O-OG 3.41Å; E142-S145 PolarHBondContact O-N 3.15Å |
| 146 | Y | 98.7 | Very high | 98.2 | Very high | 85 Ų | 85 | 24.4 Ų | 24.4 | 33% | 0.333 | 12% | 0.117 | S | C | . | . | I | π-helix | trans | -130.1 | -49.8 | -169.8 | -55.6 | -50.6 | 0 | 0 | 0 | 114.1 | S55 D56 R117 E142 S144 A150 | S55-Y146 WeakPolarHBondContact OG-CD1 3.31Å; D56-Y146 HydrophobicContact CB-CD2 4.05Å; D56-Y146 HydrophobicContact CB-CE2 4.02Å; D56-Y146 HydrophobicContact CB-CG 4.39Å; D56-Y146 WeakPolarHBondContact OD1-CB 3.24Å; D56-Y146 WeakPolarHBondContact OD2-CD2 3.3Å; R117-Y146 VanDerWaalsContact NH2-CB 3.29Å; E142-Y146 HydrophobicContact CB-CD2 3.94Å; E142-Y146 HydrophobicContact CB-CE2 4.3Å; E142-Y146 HydrophobicContact CG-CD2 4.22Å; E142-Y146 HydrophobicContact CG-CE2 4.06Å; E142-Y146 VanDerWaalsContact O-CB 3.32Å; E142-Y146 WeakPolarHBondContact O-CB 3.49Å; E142-Y146 PolarHBondContact O-N 2.99Å; S144-Y146 PolarHBondContact O-N 3.07Å; Y146-A150 VanDerWaalsContact O-CB 3.28Å; Y146-A150 WeakPolarHBondContact O-CB 3.23Å; Y146-A150 PolarHBondContact O-N 3.34Å; Y146-A150 VanDerWaalsContact O-N 3.16Å |
| 147 | D | 98.8 | Very high | 98.1 | Very high | 5 Ų | 5 | 27 Ų | 27 | 3% | 0.027 | 14% | 0.137 | C | C | . | . | I | π-helix | trans | -65.2 | -47.4 | -176.8 | -64.4 | 5.7 | 0 | 0 | 0 | 110.7 | T54 L60 R117 M143 A150 T151 | T54-D147 WeakPolarHBondContact CG2-OD1 3.46Å; L60-D147 HydrophobicContact CD1-CB 3.53Å; L60-D147 VanDerWaalsContact CD1-CG 3.47Å; R117-D147 WeakPolarHBondContact CG-OD2 3.4Å; R117-D147 IonicContact CZ-OD1 3.49Å; R117-D147 PolarHBondContact N-OD2 2.7Å; R117-D147 IonicContact NE-OD1 3.01Å; R117-D147 PolarHBondContact NE-OD1 3.29Å; R117-D147 IonicContact NE-OD2 3.56Å; R117-D147 PolarHBondContact NE-OD2 3.29Å; R117-D147 IonicContact NH2-OD1 3.77Å; R117-D147 PolarHBondContact NH2-OD1 2.81Å; M143-D147 HydrophobicContact CB-CB 4.38Å; M143-D147 WeakPolarHBondContact O-CB 3.15Å; M143-D147 PolarHBondContact O-N 2.89Å; M143-D147 VanDerWaalsContact O-N 3.16Å; D147-A150 PolarHBondContact O-N 3.21Å; D147-T151 VanDerWaalsContact O-CB 3.25Å; D147-T151 WeakPolarHBondContact O-CB 3.37Å; D147-T151 PolarHBondContact O-N 3.39Å; D147-T151 PolarHBondContact O-OG1 3.22Å |
| 148 | F | 98.8 | Very high | 98.1 | Very high | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.009 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.1 | -53.1 | -177.7 | -177.1 | -78.1 | 0 | 0 | 0 | 112.1 | M143 A150 T151 I152 Y166 I175 A176 A179 L180 | M143-F148 PolarHBondContact O-N 2.82Å; F148-A150 PolarHBondContact O-N 3.3Å; F148-T151 PolarHBondContact O-N 2.98Å; F148-I152 HydrophobicContact CD1-CG1 3.95Å; F148-I152 HydrophobicContact CE1-CD1 4.36Å; F148-I152 HydrophobicContact CE1-CG1 3.61Å; F148-I152 HydrophobicContact CE2-CG1 4.45Å; F148-I152 HydrophobicContact CG-CG1 4.49Å; F148-I152 HydrophobicContact CZ-CD1 4.13Å; F148-I152 HydrophobicContact CZ-CG1 3.89Å; F148-I152 WeakPolarHBondContact O-CG1 3.23Å; F148-I152 PolarHBondContact O-N 3.09Å; F148-Y166 HydrophobicContact CD2-CE2 4.01Å; F148-Y166 AromaticContact CE2-CD2 3.86Å; F148-Y166 HydrophobicContact CE2-CD2 3.86Å; F148-Y166 AromaticContact CE2-CE2 3.43Å; F148-Y166 HydrophobicContact CE2-CE2 3.43Å; F148-Y166 VanDerWaalsContact CE2-CE2 3.43Å; F148-Y166 AromaticContact CE2-CZ 3.83Å; F148-Y166 HydrophobicContact CZ-CD2 4.48Å; F148-Y166 HydrophobicContact CZ-CE2 4.43Å; F148-I175 HydrophobicContact CB-CG2 3.84Å; F148-I175 HydrophobicContact CD2-CG2 3.95Å; F148-I175 HydrophobicContact CG-CG2 4.29Å; F148-A176 HydrophobicContact CD2-CB 4.41Å; F148-A176 HydrophobicContact CE2-CB 3.7Å; F148-A176 HydrophobicContact CZ-CB 4.29Å; F148-A179 HydrophobicContact CB-CB 4.03Å; F148-A179 HydrophobicContact CD1-CB 3.5Å; F148-A179 HydrophobicContact CD2-CB 4.47Å; F148-A179 HydrophobicContact CE1-CB 4.05Å; F148-A179 HydrophobicContact CG-CB 3.76Å; F148-L180 HydrophobicContact CE1-CD2 3.91Å; F148-L180 HydrophobicContact CE1-CG 4.04Å; F148-L180 HydrophobicContact CZ-CD1 4.1Å; F148-L180 HydrophobicContact CZ-CD2 4.1Å; F148-L180 HydrophobicContact CZ-CG 3.99Å |
| 149 | P | 98.5 | Very high | 97.9 | Very high | 5 Ų | 5 | 25.5 Ų | 25.5 | 3% | 0.032 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -56.8 | -42.6 | 175.1 | -29.9 | 37.3 | 0 | 0 | 0 | 114.4 | S144 T151 R153 L186 | S144-P149 VanDerWaalsContact O-CD 3.24Å; S144-P149 WeakPolarHBondContact O-CD 3.4Å; P149-T151 VanDerWaalsContact C-N 3.35Å; P149-R153 WeakPolarHBondContact O-CB 3.42Å; P149-R153 VanDerWaalsContact O-CG 3.25Å; P149-R153 WeakPolarHBondContact O-CG 3.46Å; P149-R153 PolarHBondContact O-N 3.49Å; P149-R153 VanDerWaalsContact O-N 3.11Å; P149-L186 HydrophobicContact CB-CD1 3.74Å; P149-L186 HydrophobicContact CG-CD1 3.75Å |
| 150 | A | 98.6 | Very high | 97.6 | Very high | 18 Ų | 18 | 35 Ų | 35 | 15% | 0.149 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.1 | -42.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | I52 T54 Y146 D147 F148 H154 | I52-A150 HydrophobicContact CD1-CB 4.03Å; T54-A150 HydrophobicContact CG2-CB 4.2Å; Y146-A150 VanDerWaalsContact O-CB 3.28Å; Y146-A150 WeakPolarHBondContact O-CB 3.23Å; Y146-A150 PolarHBondContact O-N 3.34Å; Y146-A150 VanDerWaalsContact O-N 3.16Å; D147-A150 PolarHBondContact O-N 3.21Å; F148-A150 PolarHBondContact O-N 3.3Å; A150-H154 WeakPolarHBondContact O-CB 3.26Å; A150-H154 PolarHBondContact O-N 2.91Å |
| 151 | T | 98.8 | Very high | 97.3 | Very high | 3 Ų | 3 | 37.2 Ų | 37.2 | 2% | 0.018 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.7 | -52.9 | 178.3 | -60.6 | 0 | 0 | 0 | 0 | 111.7 | L62 L79 A114 D147 F148 P149 R153 H154 I155 | L62-T151 HydrophobicContact CD1-CG2 3.91Å; L62-T151 HydrophobicContact CD2-CG2 3.75Å; L79-T151 HydrophobicContact CD1-CG2 4.14Å; L79-T151 HydrophobicContact CD2-CG2 3.69Å; A114-T151 HydrophobicContact CB-CG2 4.38Å; D147-T151 VanDerWaalsContact O-CB 3.25Å; D147-T151 WeakPolarHBondContact O-CB 3.37Å; D147-T151 PolarHBondContact O-N 3.39Å; D147-T151 PolarHBondContact O-OG1 3.22Å; F148-T151 PolarHBondContact O-N 2.98Å; P149-T151 VanDerWaalsContact C-N 3.35Å; T151-R153 PolarHBondContact O-N 2.87Å; T151-H154 PolarHBondContact O-N 2.9Å; T151-I155 HydrophobicContact CG2-CD1 3.84Å; T151-I155 WeakPolarHBondContact O-CG1 3.41Å; T151-I155 PolarHBondContact O-N 3.05Å |
| 152 | I | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.7 | -49.2 | -179.1 | -64.6 | -58.2 | 0 | 0 | 0 | 110.9 | L79 F148 H154 I155 I156 L164 L186 N189 I190 | L79-I152 HydrophobicContact CD2-CD1 3.63Å; F148-I152 HydrophobicContact CD1-CG1 3.95Å; F148-I152 HydrophobicContact CE1-CD1 4.36Å; F148-I152 HydrophobicContact CE1-CG1 3.61Å; F148-I152 HydrophobicContact CE2-CG1 4.45Å; F148-I152 HydrophobicContact CG-CG1 4.49Å; F148-I152 HydrophobicContact CZ-CD1 4.13Å; F148-I152 HydrophobicContact CZ-CG1 3.89Å; F148-I152 WeakPolarHBondContact O-CG1 3.23Å; F148-I152 PolarHBondContact O-N 3.09Å; I152-H154 VanDerWaalsContact C-N 3.31Å; I152-H154 PolarHBondContact O-N 3.5Å; I152-I155 PolarHBondContact O-N 2.97Å; I152-I156 HydrophobicContact CG2-CG1 4.26Å; I152-I156 WeakPolarHBondContact O-CB 3.47Å; I152-I156 VanDerWaalsContact O-CG1 3.23Å; I152-I156 WeakPolarHBondContact O-CG1 3.43Å; I152-I156 PolarHBondContact O-N 3.35Å; I152-L164 HydrophobicContact CD1-CD1 4.08Å; I152-L164 HydrophobicContact CD1-CD2 4.03Å; I152-L164 HydrophobicContact CD1-CG 4.49Å; I152-L186 HydrophobicContact CG2-CD2 4.29Å; I152-N189 HydrophobicContact CG2-CB 3.81Å; I152-I190 HydrophobicContact CD1-CD1 3.72Å; I152-I190 HydrophobicContact CG1-CD1 4.48Å |
| 153 | R | 97.8 | Very high | 97 | Very high | 132 Ų | 132 | 47.9 Ų | 47.9 | 50% | 0.498 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -61.5 | -38.9 | -179.3 | -70.6 | 176.1 | -175.1 | 138.3 | 0.3 | 112.4 | P149 T151 S157 L186 | P149-R153 WeakPolarHBondContact O-CB 3.42Å; P149-R153 VanDerWaalsContact O-CG 3.25Å; P149-R153 WeakPolarHBondContact O-CG 3.46Å; P149-R153 PolarHBondContact O-N 3.49Å; P149-R153 VanDerWaalsContact O-N 3.11Å; T151-R153 PolarHBondContact O-N 2.87Å; R153-S157 WeakPolarHBondContact O-CB 3.39Å; R153-S157 PolarHBondContact O-N 2.94Å; R153-L186 HydrophobicContact CG-CD2 4.32Å |
| 154 | H | 98.2 | Very high | 96.9 | Very high | 46 Ų | 46 | 47.8 Ų | 47.8 | 21% | 0.213 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.9 | -49.3 | 176.4 | -177.7 | 75.4 | 0 | 0 | 0 | 111.8 | H50 I52 W112 A150 T151 I152 I156 S157 V158 | H50-H154 AromaticContact CG-NE2 3.61Å; H50-H154 AromaticContact ND1-CE1 3.79Å; H50-H154 AromaticContact ND1-NE2 3.05Å; H50-H154 PolarHBondContact ND1-NE2 2.99Å; I52-H154 HydrophobicContact CG2-CB 3.75Å; I52-H154 WeakPolarHBondContact CG2-ND1 3.34Å; W112-H154 AromaticContact CZ3-CD2 3.97Å; A150-H154 WeakPolarHBondContact O-CB 3.26Å; A150-H154 PolarHBondContact O-N 2.91Å; T151-H154 PolarHBondContact O-N 2.9Å; I152-H154 VanDerWaalsContact C-N 3.31Å; I152-H154 PolarHBondContact O-N 3.5Å; H154-I156 VanDerWaalsContact C-N 3.35Å; H154-I156 PolarHBondContact O-N 3.11Å; H154-S157 WeakPolarHBondContact O-CB 3.42Å; H154-S157 PolarHBondContact O-N 2.78Å; H154-S157 VanDerWaalsContact O-N 3.11Å; H154-V158 WeakPolarHBondContact O-CG2 3.33Å; H154-V158 PolarHBondContact O-N 3.2Å |
| 155 | I | 97.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.3 | -46.2 | -179.6 | -65 | 170.1 | 0 | 0 | 0 | 110.6 | L62 V77 L79 W112 T151 I152 S157 V158 T159 L164 | L62-I155 HydrophobicContact CD1-CG1 4.46Å; V77-I155 HydrophobicContact CG1-CG2 3.6Å; L79-I155 HydrophobicContact CB-CD1 4.33Å; L79-I155 HydrophobicContact CD1-CD1 3.74Å; L79-I155 HydrophobicContact CD2-CD1 3.97Å; L79-I155 HydrophobicContact CG-CD1 4.24Å; W112-I155 HydrophobicContact CB-CD1 3.76Å; W112-I155 HydrophobicContact CB-CG1 4.4Å; W112-I155 HydrophobicContact CD2-CB 4.47Å; W112-I155 HydrophobicContact CD2-CD1 3.99Å; W112-I155 HydrophobicContact CD2-CG1 3.62Å; W112-I155 HydrophobicContact CD2-CG2 4.21Å; W112-I155 HydrophobicContact CE3-CD1 4.21Å; W112-I155 HydrophobicContact CE3-CG1 3.72Å; W112-I155 HydrophobicContact CG-CD1 3.81Å; W112-I155 HydrophobicContact CG-CG1 3.94Å; W112-I155 HydrophobicContact CG-CG2 4.18Å; W112-I155 HydrophobicContact CZ3-CG1 4.2Å; T151-I155 HydrophobicContact CG2-CD1 3.84Å; T151-I155 WeakPolarHBondContact O-CG1 3.41Å; T151-I155 PolarHBondContact O-N 3.05Å; I152-I155 PolarHBondContact O-N 2.97Å; I155-S157 VanDerWaalsContact C-N 3.3Å; I155-S157 PolarHBondContact O-N 3Å; I155-V158 PolarHBondContact O-N 2.91Å; I155-T159 HydrophobicContact CG2-CG2 4Å; I155-T159 WeakPolarHBondContact O-CB 3.49Å; I155-T159 VanDerWaalsContact O-CG2 3.27Å; I155-T159 WeakPolarHBondContact O-CG2 3.23Å; I155-T159 PolarHBondContact O-N 2.98Å; I155-T159 PolarHBondContact O-OG1 3.13Å; I155-L164 HydrophobicContact CB-CD2 4.12Å; I155-L164 HydrophobicContact CD1-CD2 4.46Å; I155-L164 HydrophobicContact CG2-CD2 3.71Å |
| 156 | I | 96.3 | Very high | 96.8 | Very high | 35 Ų | 35 | 45.9 Ų | 45.9 | 18% | 0.179 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.2 | -41.8 | 176.1 | -66.5 | -65.4 | 0 | 0 | 0 | 111.2 | I152 H154 R160 M161 K162 L164 N189 | I152-I156 HydrophobicContact CG2-CG1 4.26Å; I152-I156 WeakPolarHBondContact O-CB 3.47Å; I152-I156 VanDerWaalsContact O-CG1 3.23Å; I152-I156 WeakPolarHBondContact O-CG1 3.43Å; I152-I156 PolarHBondContact O-N 3.35Å; H154-I156 VanDerWaalsContact C-N 3.35Å; H154-I156 PolarHBondContact O-N 3.11Å; I156-R160 VanDerWaalsContact O-CA 3.31Å; I156-R160 WeakPolarHBondContact O-CA 3.5Å; I156-R160 PolarHBondContact O-N 2.96Å; I156-M161 WeakPolarHBondContact CD1-O 3.36Å; I156-M161 WeakPolarHBondContact CG2-O 3.22Å; I156-K162 WeakPolarHBondContact CD1-O 3.27Å; I156-L164 HydrophobicContact CD1-CD2 4.3Å; I156-N189 HydrophobicContact CD1-CB 4.28Å; I156-N189 HydrophobicContact CG1-CB 4.41Å |
| 157 | S | 95.9 | Very high | 96.8 | Very high | 62 Ų | 62 | 41.9 Ų | 41.9 | 43% | 0.434 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -64.4 | -45.2 | 177.4 | -174.8 | 0 | 0 | 0 | 0 | 112.8 | R153 H154 I155 R160 | R153-S157 WeakPolarHBondContact O-CB 3.39Å; R153-S157 PolarHBondContact O-N 2.94Å; H154-S157 WeakPolarHBondContact O-CB 3.42Å; H154-S157 PolarHBondContact O-N 2.78Å; H154-S157 VanDerWaalsContact O-N 3.11Å; I155-S157 VanDerWaalsContact C-N 3.3Å; I155-S157 PolarHBondContact O-N 3Å; S157-R160 VanDerWaalsContact O-CD 3.29Å; S157-R160 WeakPolarHBondContact O-CD 3.45Å; S157-R160 PolarHBondContact O-NE 3.37Å; S157-R160 PolarHBondContact O-NH1 3.17Å; S157-R160 VanDerWaalsContact O-NH1 3.12Å |
| 158 | V | 95.2 | Very high | 96.8 | Very high | 53 Ų | 53 | 41.6 Ų | 41.6 | 32% | 0.321 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -71 | -47.4 | -178.5 | 172.2 | 0 | 0 | 0 | 0 | 111.4 | W112 H154 I155 | W112-V158 HydrophobicContact CH2-CB 4.12Å; W112-V158 HydrophobicContact CH2-CG1 3.93Å; W112-V158 HydrophobicContact CH2-CG2 4.29Å; W112-V158 HydrophobicContact CZ2-CB 4.15Å; W112-V158 HydrophobicContact CZ2-CG1 3.85Å; H154-V158 WeakPolarHBondContact O-CG2 3.33Å; H154-V158 PolarHBondContact O-N 3.2Å; I155-V158 PolarHBondContact O-N 2.91Å |
| 159 | T | 94 | Very high | 96.8 | Very high | 10 Ų | 10 | 41.8 Ų | 41.8 | 6% | 0.061 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -79.7 | -23.6 | -173.9 | 62.3 | 0 | 0 | 0 | 0 | 113 | V77 D110 W112 I155 M161 | V77-T159 HydrophobicContact CG1-CG2 4.22Å; V77-T159 HydrophobicContact CG2-CG2 3.86Å; D110-T159 WeakPolarHBondContact OD2-CG2 3.06Å; W112-T159 HydrophobicContact CZ2-CG2 4.09Å; I155-T159 HydrophobicContact CG2-CG2 4Å; I155-T159 WeakPolarHBondContact O-CB 3.49Å; I155-T159 VanDerWaalsContact O-CG2 3.27Å; I155-T159 WeakPolarHBondContact O-CG2 3.23Å; I155-T159 PolarHBondContact O-N 2.98Å; I155-T159 PolarHBondContact O-OG1 3.13Å; T159-M161 PolarHBondContact O-N 2.86Å; T159-M161 PolarHBondContact OG1-N 2.85Å |
| 160 | R | 93.3 | Very high | 96.8 | Very high | 198 Ų | 198 | 41.8 Ų | 41.8 | 75% | 0.747 | 20% | 0.195 | S | C | * | . | trans | 62.6 | 12.8 | -170.2 | -50.9 | -61 | -175.9 | -169.4 | -1.6 | 114 | I156 S157 | I156-R160 VanDerWaalsContact O-CA 3.31Å; I156-R160 WeakPolarHBondContact O-CA 3.5Å; I156-R160 PolarHBondContact O-N 2.96Å; S157-R160 VanDerWaalsContact O-CD 3.29Å; S157-R160 WeakPolarHBondContact O-CD 3.45Å; S157-R160 PolarHBondContact O-NE 3.37Å; S157-R160 PolarHBondContact O-NH1 3.17Å; S157-R160 VanDerWaalsContact O-NH1 3.12Å | ||
| 161 | M | 92.5 | Very high | 96.8 | Very high | 48 Ų | 48 | 41.1 Ų | 41.1 | 24% | 0.236 | 19% | 0.188 | C | C | . | . | trans | -80.5 | 147.4 | 172.8 | -65.2 | -54.1 | -60.9 | 0 | 0 | 110.1 | K74 R75 V77 I156 T159 | K74-M161 WeakPolarHBondContact O-CG 3.29Å; R75-M161 HydrophobicContact CB-CE 4.13Å; R75-M161 HydrophobicContact CG-CE 4.37Å; R75-M161 WeakPolarHBondContact O-CE 3.26Å; V77-M161 HydrophobicContact CG2-CB 4.13Å; V77-M161 HydrophobicContact CG2-CG 3.68Å; I156-M161 WeakPolarHBondContact CD1-O 3.36Å; I156-M161 WeakPolarHBondContact CG2-O 3.22Å; T159-M161 PolarHBondContact O-N 2.86Å; T159-M161 PolarHBondContact OG1-N 2.85Å | ||
| 162 | K | 93.8 | Very high | 96.8 | Very high | 175 Ų | 175 | 41 Ų | 41 | 76% | 0.761 | 19% | 0.187 | S | C | * | . | S | Bend | trans | -81.4 | -26.5 | 175.9 | -66.3 | -175.7 | -179.8 | 179.9 | 0 | 112.5 | I156 N189 | I156-K162 WeakPolarHBondContact CD1-O 3.27Å; K162-N189 WeakPolarHBondContact O-CA 3.01Å; K162-N189 PolarHBondContact O-ND2 3.08Å |
| 163 | Q | 95.4 | Very high | 96.8 | Very high | 87 Ų | 87 | 41 Ų | 41 | 41% | 0.407 | 19% | 0.187 | S | C | . | . | trans | -138.2 | 154 | -173.2 | -66.5 | -174.8 | -45.1 | 0 | 0 | 111 | S188 N189 N191 | Q163-S188 VanDerWaalsContact CG-O 3.23Å; Q163-S188 WeakPolarHBondContact CG-O 3.49Å; Q163-S188 PolarHBondContact NE2-O 3.03Å; Q163-N189 CarbonylContact C-O 3.4Å; Q163-N189 VanDerWaalsContact CA-O 3.23Å; Q163-N189 WeakPolarHBondContact CA-O 3.44Å; Q163-N191 HydrophobicContact CB-CB 4.17Å | ||
| 164 | L | 96.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 157.7 | 171 | 62.8 | 91.9 | 0 | 0 | 0 | 109.8 | V77 L79 I152 I155 I156 N189 I190 N191 | V77-L164 HydrophobicContact CB-CB 3.87Å; V77-L164 HydrophobicContact CG1-CB 3.73Å; V77-L164 HydrophobicContact CG1-CD2 4.48Å; V77-L164 WeakPolarHBondContact O-CA 3.13Å; V77-L164 WeakPolarHBondContact O-CB 3.4Å; L79-L164 HydrophobicContact CB-CD1 3.71Å; I152-L164 HydrophobicContact CD1-CD1 4.08Å; I152-L164 HydrophobicContact CD1-CD2 4.03Å; I152-L164 HydrophobicContact CD1-CG 4.49Å; I155-L164 HydrophobicContact CB-CD2 4.12Å; I155-L164 HydrophobicContact CD1-CD2 4.46Å; I155-L164 HydrophobicContact CG2-CD2 3.71Å; I156-L164 HydrophobicContact CD1-CD2 4.3Å; L164-N189 PolarHBondContact N-O 2.89Å; L164-I190 HydrophobicContact CD1-CD1 3.72Å; L164-I190 HydrophobicContact CG-CD1 4.12Å; L164-I190 WeakPolarHBondContact O-CA 3.39Å; L164-N191 VanDerWaalsContact C-OD1 3.26Å; L164-N191 PolarHBondContact O-N 3.08Å; L164-N191 VanDerWaalsContact O-N 3.08Å; L164-N191 PolarHBondContact O-OD1 2.79Å; L164-N191 VanDerWaalsContact O-OD1 3.07Å |
| 165 | S | 97.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 141.2 | 168.2 | -61.5 | 0 | 0 | 0 | 0 | 110.3 | V77 V78 L79 N191 Q395 | V77-S165 PolarHBondContact O-N 2.86Å; V78-S165 CarbonylContact C-O 3.57Å; V78-S165 VanDerWaalsContact CA-O 3.3Å; V78-S165 WeakPolarHBondContact CA-O 3.33Å; L79-S165 PolarHBondContact N-O 3.06Å; S165-N191 WeakPolarHBondContact CA-OD1 3.45Å; S165-N191 WeakPolarHBondContact CB-OD1 3.35Å; S165-N191 PolarHBondContact N-OD1 3.47Å; S165-N191 PolarHBondContact OG-OD1 3.47Å; S165-Q395 PolarHBondContact OG-NE2 3.09Å |
| 166 | Y | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 129.4 | 178.4 | -174.4 | -85.9 | 0 | 0 | 0 | 110.6 | L79 Q81 F148 G168 G172 A176 L192 F193 I194 | L79-Y166 HydrophobicContact CB-CD2 4.13Å; L79-Y166 HydrophobicContact CD2-CD2 3.76Å; L79-Y166 HydrophobicContact CD2-CE2 3.75Å; L79-Y166 HydrophobicContact CG-CD2 3.98Å; L79-Y166 HydrophobicContact CG-CE2 4.05Å; Q81-Y166 HydrophobicContact CB-CE1 4.3Å; Q81-Y166 HydrophobicContact CB-CE2 3.99Å; Q81-Y166 WeakPolarHBondContact CB-OH 3.46Å; Q81-Y166 WeakPolarHBondContact CG-OH 3.31Å; F148-Y166 HydrophobicContact CD2-CE2 4.01Å; F148-Y166 AromaticContact CE2-CD2 3.86Å; F148-Y166 HydrophobicContact CE2-CD2 3.86Å; F148-Y166 AromaticContact CE2-CE2 3.43Å; F148-Y166 HydrophobicContact CE2-CE2 3.43Å; F148-Y166 VanDerWaalsContact CE2-CE2 3.43Å; F148-Y166 AromaticContact CE2-CZ 3.83Å; F148-Y166 HydrophobicContact CZ-CD2 4.48Å; F148-Y166 HydrophobicContact CZ-CE2 4.43Å; Y166-G168 VanDerWaalsContact CE1-CA 3.5Å; Y166-G172 PolarHBondContact OH-O 3.45Å; Y166-A176 HydrophobicContact CD1-CB 3.94Å; Y166-A176 HydrophobicContact CE1-CB 3.4Å; Y166-A176 VanDerWaalsContact CE1-CB 3.4Å; Y166-A176 HydrophobicContact CE2-CB 4.47Å; Y166-L192 PolarHBondContact N-O 3.3Å; Y166-F193 AromaticContact CD1-CD2 3.59Å; Y166-F193 HydrophobicContact CD1-CD2 3.59Å; Y166-F193 AromaticContact CD1-CE2 3.66Å; Y166-F193 HydrophobicContact CD1-CE2 3.66Å; Y166-F193 HydrophobicContact CE1-CD2 4.3Å; Y166-F193 AromaticContact CE1-CE2 3.9Å; Y166-F193 HydrophobicContact CE1-CE2 3.9Å; Y166-F193 CarbonylContact O-C 3.47Å; Y166-F193 WeakPolarHBondContact O-CA 3.31Å; Y166-I194 PolarHBondContact O-N 3.47Å |
| 167 | I | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 112 | 171.8 | -47.8 | -169 | 0 | 0 | 0 | 107.8 | V78 L79 L80 Q81 W91 L100 L104 I194 F196 L387 M391 | V78-I167 HydrophobicContact CG2-CD1 4Å; V78-I167 HydrophobicContact CG2-CG1 3.93Å; L79-I167 PolarHBondContact O-N 3.02Å; L80-I167 WeakPolarHBondContact CA-O 3.28Å; L80-I167 HydrophobicContact CD2-CB 3.58Å; L80-I167 HydrophobicContact CD2-CD1 3.61Å; L80-I167 HydrophobicContact CD2-CG1 3.71Å; L80-I167 HydrophobicContact CD2-CG2 4.34Å; Q81-I167 PolarHBondContact N-O 3.41Å; W91-I167 HydrophobicContact CH2-CG2 4.34Å; L100-I167 HydrophobicContact CD2-CD1 4.11Å; L100-I167 HydrophobicContact CD2-CG2 4.42Å; L104-I167 HydrophobicContact CD1-CD1 4.31Å; I167-I194 WeakPolarHBondContact CA-O 3.48Å; I167-I194 HydrophobicContact CB-CB 4.48Å; I167-I194 HydrophobicContact CD1-CD1 4.07Å; I167-I194 HydrophobicContact CG1-CB 4.17Å; I167-I194 HydrophobicContact CG1-CD1 3.87Å; I167-I194 HydrophobicContact CG2-CB 4.27Å; I167-I194 HydrophobicContact CG2-CG2 4.14Å; I167-F196 HydrophobicContact CG2-CD2 3.79Å; I167-F196 HydrophobicContact CG2-CE2 3.46Å; I167-F196 VanDerWaalsContact CG2-CE2 3.46Å; I167-F196 HydrophobicContact CG2-CZ 3.97Å; I167-L387 HydrophobicContact CD1-CD2 4.07Å; I167-M391 HydrophobicContact CD1-CE 4.32Å; I167-M391 HydrophobicContact CD1-SD 4.13Å |
| 168 | G | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 130.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y166 S173 I194 F196 | Y166-G168 VanDerWaalsContact CE1-CA 3.5Å; G168-S173 PolarHBondContact O-OG 3.27Å; G168-I194 PolarHBondContact N-O 3.18Å; G168-F196 PolarHBondContact O-N 2.78Å |
| 169 | F | 98.6 | Very high | 97.3 | Very high | 6 Ų | 6 | 25.6 Ų | 25.6 | 3% | 0.026 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 130.2 | 169.6 | 168.2 | -118.2 | 0 | 0 | 0 | 110.9 | Q81 G83 W91 Q171 G172 F196 H370 L371 Y373 F374 | Q81-F169 PolarHBondContact O-N 3.35Å; G83-F169 WeakPolarHBondContact CA-O 3.3Å; W91-F169 HydrophobicContact CH2-CB 3.76Å; W91-F169 HydrophobicContact CZ2-CB 3.97Å; F169-Q171 PolarHBondContact O-N 2.91Å; F169-Q171 VanDerWaalsContact O-N 3.14Å; F169-G172 WeakPolarHBondContact O-CA 3.43Å; F169-G172 PolarHBondContact O-N 2.91Å; F169-F196 WeakPolarHBondContact CA-O 3.25Å; F169-F196 HydrophobicContact CB-CB 4.43Å; F169-F196 HydrophobicContact CD2-CB 4.11Å; F169-F196 WeakPolarHBondContact CD2-O 3.33Å; F169-H370 WeakPolarHBondContact CE2-O 3.29Å; F169-H370 AromaticContact CZ-CD2 3.64Å; F169-H370 AromaticContact CZ-NE2 3.75Å; F169-H370 WeakPolarHBondContact CZ-O 3.43Å; F169-L371 HydrophobicContact CE1-CD2 4.34Å; F169-L371 HydrophobicContact CZ-CD2 4.11Å; F169-Y373 HydrophobicContact CD2-CD2 4.01Å; F169-Y373 AromaticContact CE2-CD2 3.81Å; F169-Y373 HydrophobicContact CE2-CD2 3.81Å; F169-Y373 HydrophobicContact CE2-CE2 4.11Å; F169-F374 HydrophobicContact CD1-CD1 4.39Å; F169-F374 AromaticContact CD1-CE1 3.39Å; F169-F374 HydrophobicContact CD1-CE1 3.39Å; F169-F374 AromaticContact CD1-CZ 3.72Å; F169-F374 HydrophobicContact CD1-CZ 3.72Å; F169-F374 HydrophobicContact CD2-CD1 4.43Å; F169-F374 AromaticContact CD2-CE1 3.75Å; F169-F374 HydrophobicContact CD2-CE1 3.75Å; F169-F374 AromaticContact CE1-CE1 3.39Å; F169-F374 HydrophobicContact CE1-CE1 3.39Å; F169-F374 AromaticContact CE1-CZ 3.45Å; F169-F374 HydrophobicContact CE1-CZ 3.45Å; F169-F374 VanDerWaalsContact CE1-CZ 3.45Å; F169-F374 AromaticContact CE2-CE1 3.78Å; F169-F374 HydrophobicContact CE2-CE1 3.78Å; F169-F374 HydrophobicContact CG-CD1 4.29Å; F169-F374 AromaticContact CG-CE1 3.6Å; F169-F374 HydrophobicContact CG-CE1 3.6Å; F169-F374 HydrophobicContact CG-CZ 4.38Å; F169-F374 AromaticContact CZ-CE1 3.59Å; F169-F374 HydrophobicContact CZ-CE1 3.59Å; F169-F374 AromaticContact CZ-CZ 3.92Å; F169-F374 HydrophobicContact CZ-CZ 3.92Å |
| 170 | S | 98.3 | Very high | 97.5 | Very high | 5 Ų | 5 | 25.1 Ų | 25.1 | 4% | 0.035 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | -117.4 | 171.3 | -175.5 | 0 | 0 | 0 | 0 | 112.3 | G172 S173 L174 F196 G197 H370 | S170-G172 PolarHBondContact O-N 3.05Å; S170-G172 VanDerWaalsContact O-N 3.15Å; S170-S173 WeakPolarHBondContact O-CA 3.13Å; S170-S173 VanDerWaalsContact O-CB 3.28Å; S170-S173 WeakPolarHBondContact O-CB 3.42Å; S170-S173 PolarHBondContact O-N 2.85Å; S170-L174 PolarHBondContact O-N 3.14Å; S170-F196 PolarHBondContact N-O 3.37Å; S170-G197 WeakPolarHBondContact CA-O 3.41Å; S170-H370 WeakPolarHBondContact CB-NE2 3.49Å; S170-H370 PolarHBondContact OG-CE1 3.32Å; S170-H370 PolarHBondContact OG-NE2 3.26Å |
| 171 | Q | 98.7 | Very high | 97.7 | Very high | 3 Ų | 3 | 15.9 Ų | 15.9 | 1% | 0.014 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -53.6 | -30.6 | 174.5 | -173.6 | -174.2 | -83 | 0 | 0 | 112.8 | L84 W140 M143 F169 S173 L174 I175 N288 F292 | L84-Q171 HydrophobicContact CB-CB 4.25Å; W140-Q171 HydrophobicContact CB-CG 4.02Å; M143-Q171 PolarHBondContact SD-NE2 3.05Å; F169-Q171 PolarHBondContact O-N 2.91Å; F169-Q171 VanDerWaalsContact O-N 3.14Å; Q171-S173 VanDerWaalsContact C-N 3.28Å; Q171-S173 PolarHBondContact O-N 2.64Å; Q171-L174 WeakPolarHBondContact O-CB 3.08Å; Q171-L174 PolarHBondContact O-N 3.19Å; Q171-L174 VanDerWaalsContact O-N 3.16Å; Q171-I175 HydrophobicContact CG-CD1 4.04Å; Q171-I175 HydrophobicContact CG-CG1 4.32Å; Q171-I175 VanDerWaalsContact O-CG1 3.27Å; Q171-I175 WeakPolarHBondContact O-CG1 3.49Å; Q171-I175 PolarHBondContact O-N 3.11Å; Q171-N288 PolarHBondContact OE1-ND2 2.98Å; Q171-F292 HydrophobicContact CB-CZ 4.14Å; Q171-F292 HydrophobicContact CG-CE2 4.43Å; Q171-F292 HydrophobicContact CG-CZ 3.92Å |
| 172 | G | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -59.4 | -38.3 | 173 | 0 | 0 | 0 | 0 | 0 | 112.5 | H82 Y166 F169 S170 A176 | H82-G172 PolarHBondContact O-N 2.87Å; Y166-G172 PolarHBondContact OH-O 3.45Å; F169-G172 WeakPolarHBondContact O-CA 3.43Å; F169-G172 PolarHBondContact O-N 2.91Å; S170-G172 PolarHBondContact O-N 3.05Å; S170-G172 VanDerWaalsContact O-N 3.15Å; G172-A176 PolarHBondContact O-N 2.75Å; G172-A176 VanDerWaalsContact O-N 3.13Å |
| 173 | S | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -65.3 | -43.6 | 172.8 | -49.5 | 0 | 0 | 0 | 0 | 111.9 | G168 S170 Q171 I175 A176 M177 | G168-S173 PolarHBondContact O-OG 3.27Å; S170-S173 WeakPolarHBondContact O-CA 3.13Å; S170-S173 VanDerWaalsContact O-CB 3.28Å; S170-S173 WeakPolarHBondContact O-CB 3.42Å; S170-S173 PolarHBondContact O-N 2.85Å; Q171-S173 VanDerWaalsContact C-N 3.28Å; Q171-S173 PolarHBondContact O-N 2.64Å; S173-I175 PolarHBondContact O-N 2.79Å; S173-A176 PolarHBondContact O-N 3.28Å; S173-M177 WeakPolarHBondContact O-CB 3.37Å; S173-M177 VanDerWaalsContact O-CG 3.3Å; S173-M177 WeakPolarHBondContact O-CG 3.03Å; S173-M177 PolarHBondContact O-N 3.04Å |
| 174 | L | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -58.1 | -47.2 | 176.9 | 168.2 | 58.9 | 0 | 0 | 0 | 111.8 | W140 S170 Q171 A176 T178 V199 F292 M295 L301 | W140-L174 HydrophobicContact CB-CD2 4.31Å; W140-L174 HydrophobicContact CD2-CD1 4.45Å; W140-L174 HydrophobicContact CD2-CD2 3.61Å; W140-L174 HydrophobicContact CD2-CG 4.03Å; W140-L174 HydrophobicContact CE3-CD1 4.16Å; W140-L174 HydrophobicContact CE3-CD2 4.09Å; W140-L174 HydrophobicContact CE3-CG 3.97Å; W140-L174 HydrophobicContact CG-CD2 3.69Å; W140-L174 HydrophobicContact CG-CG 4.4Å; W140-L174 HydrophobicContact CH2-CD1 4.36Å; W140-L174 HydrophobicContact CZ2-CD2 4.48Å; W140-L174 HydrophobicContact CZ3-CD1 4.15Å; W140-L174 HydrophobicContact CZ3-CG 4.45Å; S170-L174 PolarHBondContact O-N 3.14Å; Q171-L174 WeakPolarHBondContact O-CB 3.08Å; Q171-L174 PolarHBondContact O-N 3.19Å; Q171-L174 VanDerWaalsContact O-N 3.16Å; L174-A176 PolarHBondContact O-N 2.91Å; L174-T178 HydrophobicContact CD1-CG2 3.84Å; L174-T178 WeakPolarHBondContact O-CG2 3.27Å; L174-T178 PolarHBondContact O-N 3.18Å; L174-T178 VanDerWaalsContact O-N 3.08Å; L174-T178 PolarHBondContact O-OG1 3.09Å; L174-V199 HydrophobicContact CB-CG2 4.16Å; L174-V199 HydrophobicContact CD2-CG2 4.39Å; L174-F292 HydrophobicContact CD2-CE1 4.23Å; L174-F292 HydrophobicContact CD2-CZ 4.21Å; L174-M295 HydrophobicContact CD1-CE 4.37Å; L174-M295 HydrophobicContact CD2-CE 4.14Å; L174-L301 HydrophobicContact CD1-CD1 3.38Å |
| 175 | I | 98.8 | Very high | 97.7 | Very high | 2 Ų | 2 | 17.6 Ų | 17.6 | 1% | 0.01 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -57.3 | -51.1 | 177.1 | -70.7 | 165.1 | 0 | 0 | 0 | 109.9 | W140 M143 S144 F148 Q171 S173 T178 A179 | W140-I175 HydrophobicContact CB-CG1 4.45Å; M143-I175 HydrophobicContact CB-CD1 3.74Å; M143-I175 HydrophobicContact CB-CG1 3.98Å; M143-I175 HydrophobicContact CG-CD1 4.42Å; M143-I175 HydrophobicContact SD-CD1 3.88Å; S144-I175 PolarHBondContact OG-O 2.9Å; F148-I175 HydrophobicContact CB-CG2 3.84Å; F148-I175 HydrophobicContact CD2-CG2 3.95Å; F148-I175 HydrophobicContact CG-CG2 4.29Å; Q171-I175 HydrophobicContact CG-CD1 4.04Å; Q171-I175 HydrophobicContact CG-CG1 4.32Å; Q171-I175 VanDerWaalsContact O-CG1 3.27Å; Q171-I175 WeakPolarHBondContact O-CG1 3.49Å; Q171-I175 PolarHBondContact O-N 3.11Å; S173-I175 PolarHBondContact O-N 2.79Å; I175-T178 PolarHBondContact O-OG1 2.92Å; I175-A179 WeakPolarHBondContact O-CB 2.94Å; I175-A179 PolarHBondContact O-N 2.97Å |
| 176 | A | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -63.2 | -49.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | F148 Y166 G172 S173 L174 T178 A179 L180 F193 | F148-A176 HydrophobicContact CD2-CB 4.41Å; F148-A176 HydrophobicContact CE2-CB 3.7Å; F148-A176 HydrophobicContact CZ-CB 4.29Å; Y166-A176 HydrophobicContact CD1-CB 3.94Å; Y166-A176 HydrophobicContact CE1-CB 3.4Å; Y166-A176 VanDerWaalsContact CE1-CB 3.4Å; Y166-A176 HydrophobicContact CE2-CB 4.47Å; G172-A176 PolarHBondContact O-N 2.75Å; G172-A176 VanDerWaalsContact O-N 3.13Å; S173-A176 PolarHBondContact O-N 3.28Å; L174-A176 PolarHBondContact O-N 2.91Å; A176-T178 VanDerWaalsContact C-N 3.34Å; A176-T178 PolarHBondContact O-N 3.3Å; A176-A179 PolarHBondContact O-N 2.73Å; A176-L180 HydrophobicContact CB-CD1 4.38Å; A176-L180 VanDerWaalsContact O-CB 3.23Å; A176-L180 WeakPolarHBondContact O-CB 3.34Å; A176-L180 WeakPolarHBondContact O-CD1 3.32Å; A176-L180 WeakPolarHBondContact O-CG 3.39Å; A176-L180 PolarHBondContact O-N 3.07Å; A176-F193 HydrophobicContact CB-CE2 4.22Å; A176-F193 HydrophobicContact CB-CZ 4.31Å |
| 177 | M | 98.1 | Very high | 97.5 | Very high | 3 Ų | 3 | 18.7 Ų | 18.7 | 2% | 0.015 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -58.8 | -46.2 | -177.8 | -71.2 | -175.4 | -61.6 | 0 | 0 | 111.8 | S173 D181 F193 L325 F328 L351 I355 | S173-M177 WeakPolarHBondContact O-CB 3.37Å; S173-M177 VanDerWaalsContact O-CG 3.3Å; S173-M177 WeakPolarHBondContact O-CG 3.03Å; S173-M177 PolarHBondContact O-N 3.04Å; M177-D181 WeakPolarHBondContact O-CB 3.34Å; M177-D181 PolarHBondContact O-N 3.21Å; M177-F193 HydrophobicContact CG-CE1 3.6Å; M177-F193 HydrophobicContact CG-CZ 4.08Å; M177-F193 HydrophobicContact SD-CE1 4.21Å; M177-L325 HydrophobicContact CB-CD1 4.44Å; M177-L325 HydrophobicContact CB-CD2 4.01Å; M177-L325 HydrophobicContact SD-CD1 4.39Å; M177-F328 HydrophobicContact CB-CE2 4.49Å; M177-F328 HydrophobicContact CG-CE2 4.25Å; M177-F328 HydrophobicContact CG-CZ 4.41Å; M177-L351 HydrophobicContact CE-CD1 4.17Å; M177-L351 HydrophobicContact CE-CD2 4.42Å; M177-L351 HydrophobicContact SD-CD1 3.62Å; M177-L351 HydrophobicContact SD-CD2 4.15Å; M177-I355 HydrophobicContact SD-CD1 4.4Å |
| 178 | T | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -71.7 | -39.3 | -179.7 | 53.8 | 0 | 0 | 0 | 0 | 112.1 | W140 S144 L174 I175 A176 L180 D181 D182 L301 Y323 | W140-T178 HydrophobicContact CH2-CG2 4.49Å; W140-T178 HydrophobicContact CZ3-CG2 3.95Å; S144-T178 VanDerWaalsContact CB-OG1 3.31Å; S144-T178 WeakPolarHBondContact CB-OG1 3.44Å; S144-T178 WeakPolarHBondContact OG-CB 3.46Å; S144-T178 PolarHBondContact OG-OG1 2.76Å; L174-T178 HydrophobicContact CD1-CG2 3.84Å; L174-T178 WeakPolarHBondContact O-CG2 3.27Å; L174-T178 PolarHBondContact O-N 3.18Å; L174-T178 VanDerWaalsContact O-N 3.08Å; L174-T178 PolarHBondContact O-OG1 3.09Å; I175-T178 PolarHBondContact O-OG1 2.92Å; A176-T178 VanDerWaalsContact C-N 3.34Å; A176-T178 PolarHBondContact O-N 3.3Å; T178-L180 VanDerWaalsContact C-N 3.33Å; T178-L180 PolarHBondContact O-N 3.18Å; T178-D181 PolarHBondContact O-N 2.87Å; T178-D182 PolarHBondContact O-N 2.95Å; T178-D182 VanDerWaalsContact O-N 3.1Å; T178-L301 HydrophobicContact CG2-CD1 4.24Å; T178-L301 HydrophobicContact CG2-CD2 4.15Å; T178-L301 HydrophobicContact CG2-CG 4.49Å; T178-Y323 HydrophobicContact CG2-CD1 3.84Å; T178-Y323 HydrophobicContact CG2-CD2 4.18Å; T178-Y323 HydrophobicContact CG2-CE1 4.21Å; T178-Y323 HydrophobicContact CG2-CG 3.82Å |
| 179 | A | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -65.2 | -39.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | S144 F148 I175 A176 N183 | S144-A179 VanDerWaalsContact O-CB 3.32Å; S144-A179 WeakPolarHBondContact O-CB 3.48Å; S144-A179 VanDerWaalsContact OG-CA 3.28Å; S144-A179 WeakPolarHBondContact OG-CA 3.42Å; S144-A179 WeakPolarHBondContact OG-CB 3.49Å; S144-A179 PolarHBondContact OG-N 3.37Å; F148-A179 HydrophobicContact CB-CB 4.03Å; F148-A179 HydrophobicContact CD1-CB 3.5Å; F148-A179 HydrophobicContact CD2-CB 4.47Å; F148-A179 HydrophobicContact CE1-CB 4.05Å; F148-A179 HydrophobicContact CG-CB 3.76Å; I175-A179 WeakPolarHBondContact O-CB 2.94Å; I175-A179 PolarHBondContact O-N 2.97Å; A176-A179 PolarHBondContact O-N 2.73Å; A179-N183 VanDerWaalsContact O-CB 3.29Å; A179-N183 WeakPolarHBondContact O-CB 3.3Å; A179-N183 PolarHBondContact O-N 3.23Å; A179-N183 PolarHBondContact O-ND2 3.2Å |
| 180 | L | 98 | Very high | 97.3 | Very high | 1 Ų | 1 | 23.4 Ų | 23.4 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -77.6 | -28.7 | -178.7 | -67.6 | 168.3 | 0 | 0 | 0 | 112.4 | F148 A176 T178 L186 Q187 I190 F328 I330 | F148-L180 HydrophobicContact CE1-CD2 3.91Å; F148-L180 HydrophobicContact CE1-CG 4.04Å; F148-L180 HydrophobicContact CZ-CD1 4.1Å; F148-L180 HydrophobicContact CZ-CD2 4.1Å; F148-L180 HydrophobicContact CZ-CG 3.99Å; A176-L180 HydrophobicContact CB-CD1 4.38Å; A176-L180 VanDerWaalsContact O-CB 3.23Å; A176-L180 WeakPolarHBondContact O-CB 3.34Å; A176-L180 WeakPolarHBondContact O-CD1 3.32Å; A176-L180 WeakPolarHBondContact O-CG 3.39Å; A176-L180 PolarHBondContact O-N 3.07Å; T178-L180 VanDerWaalsContact C-N 3.33Å; T178-L180 PolarHBondContact O-N 3.18Å; L180-L186 HydrophobicContact CD2-CB 4.19Å; L180-Q187 HydrophobicContact CB-CG 3.98Å; L180-Q187 HydrophobicContact CD2-CG 3.98Å; L180-Q187 VanDerWaalsContact O-CD 3.26Å; L180-Q187 VanDerWaalsContact O-CG 3.31Å; L180-Q187 WeakPolarHBondContact O-CG 3.18Å; L180-Q187 PolarHBondContact O-NE2 2.85Å; L180-I190 HydrophobicContact CD1-CG1 4.26Å; L180-I190 HydrophobicContact CD2-CG1 4.02Å; L180-F328 HydrophobicContact CB-CD2 3.81Å; L180-F328 HydrophobicContact CB-CE2 3.96Å; L180-F328 HydrophobicContact CD1-CE2 3.81Å; L180-I330 HydrophobicContact CD1-CG1 3.99Å |
| 181 | D | 97.2 | Very high | 97.2 | Very high | 4 Ų | 4 | 23.8 Ų | 23.8 | 2% | 0.021 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -65.6 | -42.9 | 169.2 | -167.7 | 48.4 | 0 | 0 | 0 | 111.7 | M177 T178 L325 K326 N327 F328 | M177-D181 WeakPolarHBondContact O-CB 3.34Å; M177-D181 PolarHBondContact O-N 3.21Å; T178-D181 PolarHBondContact O-N 2.87Å; D181-L325 HydrophobicContact CB-CD2 4Å; D181-L325 WeakPolarHBondContact OD1-CA 3.03Å; D181-L325 WeakPolarHBondContact OD2-CA 3.13Å; D181-L325 PolarHBondContact OD2-N 3.35Å; D181-K326 PolarHBondContact OD1-N 3.31Å; D181-N327 WeakPolarHBondContact O-CB 3.25Å; D181-N327 PolarHBondContact O-ND2 3.1Å; D181-N327 VanDerWaalsContact O-ND2 3.12Å; D181-N327 WeakPolarHBondContact OD1-CA 3.47Å; D181-N327 WeakPolarHBondContact OD1-CB 3.12Å; D181-N327 PolarHBondContact OD1-N 3.29Å; D181-F328 PolarHBondContact OD1-N 3.3Å |
| 182 | D | 96.1 | Very high | 97.2 | Very high | 72 Ų | 72 | 23.7 Ų | 23.7 | 39% | 0.385 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -79.5 | -24.6 | -178.5 | -82.4 | 2 | 0 | 0 | 0 | 113.7 | T178 P184 Y323 | T178-D182 PolarHBondContact O-N 2.95Å; T178-D182 VanDerWaalsContact O-N 3.1Å; D182-P184 WeakPolarHBondContact O-CD 3.31Å; D182-Y323 VanDerWaalsContact OD2-CE1 3.31Å; D182-Y323 WeakPolarHBondContact OD2-CE1 3.41Å |
| 183 | N | 95 | Very high | 97.2 | Very high | 49 Ų | 49 | 23.7 Ų | 23.7 | 26% | 0.262 | 13% | 0.131 | S | C | . | . | trans | -124.5 | 79.4 | -176.6 | -60.1 | -87.7 | 0 | 0 | 0 | 112 | A179 E185 L186 | A179-N183 VanDerWaalsContact O-CB 3.29Å; A179-N183 WeakPolarHBondContact O-CB 3.3Å; A179-N183 PolarHBondContact O-N 3.23Å; A179-N183 PolarHBondContact O-ND2 3.2Å; N183-E185 PolarHBondContact O-N 3.27Å; N183-E185 VanDerWaalsContact O-N 3.07Å; N183-L186 HydrophobicContact CB-CB 4.23Å; N183-L186 HydrophobicContact CB-CD1 3.87Å; N183-L186 HydrophobicContact CB-CG 4.07Å; N183-L186 PolarHBondContact O-N 2.96Å | ||
| 184 | P | 92.1 | Very high | 97.2 | Very high | 78 Ų | 78 | 23.7 Ų | 23.7 | 51% | 0.506 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -54.6 | -29.6 | 179.8 | -27.9 | 35.3 | 0 | 0 | 0 | 114.9 | D182 Q187 | D182-P184 WeakPolarHBondContact O-CD 3.31Å; P184-Q187 WeakPolarHBondContact O-CB 3.2Å; P184-Q187 PolarHBondContact O-N 2.91Å |
| 185 | E | 95.1 | Very high | 97.2 | Very high | 146 Ų | 146 | 23.7 Ų | 23.7 | 68% | 0.682 | 13% | 0.131 | S | C | * | . | H | α-helix | trans | -61.5 | -43.5 | 176.4 | -172.7 | -170.3 | 169.8 | 0 | 0 | 112.1 | N183 Q187 S188 | N183-E185 PolarHBondContact O-N 3.27Å; N183-E185 VanDerWaalsContact O-N 3.07Å; E185-Q187 PolarHBondContact O-N 2.81Å; E185-S188 PolarHBondContact O-N 2.81Å; E185-S188 PolarHBondContact O-OG 2.87Å |
| 186 | L | 96.4 | Very high | 97.2 | Very high | 2 Ų | 2 | 23.6 Ų | 23.6 | 1% | 0.01 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -69.9 | -20.1 | -178 | -68.9 | 179.5 | 0 | 0 | 0 | 112.8 | P149 I152 R153 L180 N183 S188 N189 | P149-L186 HydrophobicContact CB-CD1 3.74Å; P149-L186 HydrophobicContact CG-CD1 3.75Å; I152-L186 HydrophobicContact CG2-CD2 4.29Å; R153-L186 HydrophobicContact CG-CD2 4.32Å; L180-L186 HydrophobicContact CD2-CB 4.19Å; N183-L186 HydrophobicContact CB-CB 4.23Å; N183-L186 HydrophobicContact CB-CD1 3.87Å; N183-L186 HydrophobicContact CB-CG 4.07Å; N183-L186 PolarHBondContact O-N 2.96Å; L186-S188 PolarHBondContact O-N 2.91Å; L186-N189 WeakPolarHBondContact O-CB 3.41Å; L186-N189 PolarHBondContact O-N 2.81Å |
| 187 | Q | 97.4 | Very high | 97.1 | Very high | 21 Ų | 21 | 23.6 Ų | 23.6 | 10% | 0.098 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -58.8 | -33.7 | 175 | -65.8 | -165.4 | 63.1 | 0 | 0 | 112 | L180 P184 E185 N189 I190 N327 I330 | L180-Q187 HydrophobicContact CB-CG 3.98Å; L180-Q187 HydrophobicContact CD2-CG 3.98Å; L180-Q187 VanDerWaalsContact O-CD 3.26Å; L180-Q187 VanDerWaalsContact O-CG 3.31Å; L180-Q187 WeakPolarHBondContact O-CG 3.18Å; L180-Q187 PolarHBondContact O-NE2 2.85Å; P184-Q187 WeakPolarHBondContact O-CB 3.2Å; P184-Q187 PolarHBondContact O-N 2.91Å; E185-Q187 PolarHBondContact O-N 2.81Å; Q187-N189 PolarHBondContact O-N 2.94Å; Q187-N189 VanDerWaalsContact O-N 3.13Å; Q187-I190 PolarHBondContact O-N 2.87Å; Q187-N327 PolarHBondContact NE2-O 3.23Å; Q187-N327 PolarHBondContact OE1-O 3.49Å; Q187-I330 HydrophobicContact CB-CD1 3.61Å; Q187-I330 HydrophobicContact CG-CD1 4.11Å; Q187-I330 WeakPolarHBondContact O-CD1 3.44Å |
| 188 | S | 96.5 | Very high | 97.1 | Very high | 73 Ų | 73 | 23.7 Ų | 23.7 | 51% | 0.51 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -17.2 | 177.2 | 70.2 | 0 | 0 | 0 | 0 | 113.7 | Q163 E185 L186 | Q163-S188 VanDerWaalsContact CG-O 3.23Å; Q163-S188 WeakPolarHBondContact CG-O 3.49Å; Q163-S188 PolarHBondContact NE2-O 3.03Å; E185-S188 PolarHBondContact O-N 2.81Å; E185-S188 PolarHBondContact O-OG 2.87Å; L186-S188 PolarHBondContact O-N 2.91Å |
| 189 | N | 97 | Very high | 97.1 | Very high | 28 Ų | 28 | 23.9 Ų | 23.9 | 15% | 0.15 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -5.7 | 179.5 | -57.9 | 124.5 | 0 | 0 | 0 | 114.2 | I152 I156 K162 Q163 L164 L186 Q187 | I152-N189 HydrophobicContact CG2-CB 3.81Å; I156-N189 HydrophobicContact CD1-CB 4.28Å; I156-N189 HydrophobicContact CG1-CB 4.41Å; K162-N189 WeakPolarHBondContact O-CA 3.01Å; K162-N189 PolarHBondContact O-ND2 3.08Å; Q163-N189 CarbonylContact C-O 3.4Å; Q163-N189 VanDerWaalsContact CA-O 3.23Å; Q163-N189 WeakPolarHBondContact CA-O 3.44Å; L164-N189 PolarHBondContact N-O 2.89Å; L186-N189 WeakPolarHBondContact O-CB 3.41Å; L186-N189 PolarHBondContact O-N 2.81Å; Q187-N189 PolarHBondContact O-N 2.94Å; Q187-N189 VanDerWaalsContact O-N 3.13Å |
| 190 | I | 97.8 | Very high | 96.7 | Very high | 4 Ų | 4 | 24 Ų | 24 | 2% | 0.021 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 114.8 | 178.8 | -50.5 | -58.7 | 0 | 0 | 0 | 109.5 | I152 L164 L180 Q187 I330 | I152-I190 HydrophobicContact CD1-CD1 3.72Å; I152-I190 HydrophobicContact CG1-CD1 4.48Å; L164-I190 HydrophobicContact CD1-CD1 3.72Å; L164-I190 HydrophobicContact CG-CD1 4.12Å; L164-I190 WeakPolarHBondContact O-CA 3.39Å; L180-I190 HydrophobicContact CD1-CG1 4.26Å; L180-I190 HydrophobicContact CD2-CG1 4.02Å; Q187-I190 PolarHBondContact O-N 2.87Å; I190-I330 HydrophobicContact CB-CD1 4.32Å; I190-I330 HydrophobicContact CB-CG1 4.43Å; I190-I330 HydrophobicContact CB-CG2 4.18Å; I190-I330 HydrophobicContact CG2-CG2 3.7Å |
| 191 | N | 96.6 | Very high | 96.6 | Very high | 14 Ų | 14 | 24.9 Ų | 24.9 | 8% | 0.075 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | -32 | 178.9 | 62.5 | 3.8 | 0 | 0 | 0 | 112.9 | Q163 L164 S165 Y394 Q395 | Q163-N191 HydrophobicContact CB-CB 4.17Å; L164-N191 VanDerWaalsContact C-OD1 3.26Å; L164-N191 PolarHBondContact O-N 3.08Å; L164-N191 VanDerWaalsContact O-N 3.08Å; L164-N191 PolarHBondContact O-OD1 2.79Å; L164-N191 VanDerWaalsContact O-OD1 3.07Å; S165-N191 WeakPolarHBondContact CA-OD1 3.45Å; S165-N191 WeakPolarHBondContact CB-OD1 3.35Å; S165-N191 PolarHBondContact N-OD1 3.47Å; S165-N191 PolarHBondContact OG-OD1 3.47Å; N191-Y394 PolarHBondContact ND2-O 3.08Å; N191-Y394 WeakPolarHBondContact O-CD1 3.46Å; N191-Q395 PolarHBondContact ND2-NE2 3.45Å |
| 192 | L | 97.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 132 | -175.3 | 179.9 | 65.9 | 0 | 0 | 0 | 109.1 | Y166 I194 V333 I360 L390 M391 Y394 | Y166-L192 PolarHBondContact N-O 3.3Å; L192-I194 HydrophobicContact CD2-CD1 3.73Å; L192-I194 HydrophobicContact CD2-CG1 4.17Å; L192-I194 HydrophobicContact CG-CD1 4.08Å; L192-I194 HydrophobicContact CG-CG1 4.2Å; L192-V333 HydrophobicContact CD1-CG2 4.04Å; L192-I360 HydrophobicContact CD1-CD1 3.54Å; L192-L390 HydrophobicContact CD2-CG 4.46Å; L192-M391 HydrophobicContact CD2-CG 3.95Å; L192-Y394 HydrophobicContact CB-CD1 4.09Å; L192-Y394 HydrophobicContact CB-CD2 4.5Å; L192-Y394 HydrophobicContact CB-CG 4.05Å; L192-Y394 HydrophobicContact CD1-CD1 4.5Å; L192-Y394 HydrophobicContact CD1-CD2 4.25Å; L192-Y394 HydrophobicContact CD1-CE1 4.28Å; L192-Y394 HydrophobicContact CD1-CE2 4.02Å; L192-Y394 HydrophobicContact CD2-CD2 3.95Å; L192-Y394 HydrophobicContact CD2-CE2 4.41Å; L192-Y394 HydrophobicContact CD2-CG 4.25Å; L192-Y394 HydrophobicContact CG-CD2 4.47Å |
| 193 | F | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 120.7 | 171.5 | 174.2 | -144 | 0 | 0 | 0 | 110.4 | Y166 A176 M177 A195 F328 I330 P331 T332 V333 | Y166-F193 AromaticContact CD1-CD2 3.59Å; Y166-F193 HydrophobicContact CD1-CD2 3.59Å; Y166-F193 AromaticContact CD1-CE2 3.66Å; Y166-F193 HydrophobicContact CD1-CE2 3.66Å; Y166-F193 HydrophobicContact CE1-CD2 4.3Å; Y166-F193 AromaticContact CE1-CE2 3.9Å; Y166-F193 HydrophobicContact CE1-CE2 3.9Å; Y166-F193 CarbonylContact O-C 3.47Å; Y166-F193 WeakPolarHBondContact O-CA 3.31Å; A176-F193 HydrophobicContact CB-CE2 4.22Å; A176-F193 HydrophobicContact CB-CZ 4.31Å; M177-F193 HydrophobicContact CG-CE1 3.6Å; M177-F193 HydrophobicContact CG-CZ 4.08Å; M177-F193 HydrophobicContact SD-CE1 4.21Å; F193-A195 HydrophobicContact CE1-CB 4.04Å; F193-A195 HydrophobicContact CE2-CB 4.04Å; F193-A195 HydrophobicContact CZ-CB 3.68Å; F193-F328 HydrophobicContact CD1-CE1 4.46Å; F193-F328 HydrophobicContact CD1-CE2 4.43Å; F193-F328 AromaticContact CD1-CZ 3.63Å; F193-F328 HydrophobicContact CD1-CZ 3.63Å; F193-F328 HydrophobicContact CE1-CZ 4.14Å; F193-I330 HydrophobicContact CB-CB 4.46Å; F193-I330 HydrophobicContact CB-CG2 3.73Å; F193-P331 PolarHBondContact N-O 2.59Å; F193-T332 HydrophobicContact CD1-CG2 3.58Å; F193-T332 HydrophobicContact CE1-CG2 4.09Å; F193-T332 HydrophobicContact CG-CG2 4.36Å; F193-T332 CarbonylContact O-C 3.56Å; F193-T332 VanDerWaalsContact O-CA 3.27Å; F193-T332 WeakPolarHBondContact O-CA 3.5Å; F193-V333 PolarHBondContact O-N 3.42Å |
| 194 | I | 98.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 121.6 | 171.3 | -62.4 | 132 | 0 | 0 | 0 | 108.4 | Y166 I167 G168 L192 F196 V333 Y335 L387 M391 | Y166-I194 PolarHBondContact O-N 3.47Å; I167-I194 WeakPolarHBondContact CA-O 3.48Å; I167-I194 HydrophobicContact CB-CB 4.48Å; I167-I194 HydrophobicContact CD1-CD1 4.07Å; I167-I194 HydrophobicContact CG1-CB 4.17Å; I167-I194 HydrophobicContact CG1-CD1 3.87Å; I167-I194 HydrophobicContact CG2-CB 4.27Å; I167-I194 HydrophobicContact CG2-CG2 4.14Å; G168-I194 PolarHBondContact N-O 3.18Å; L192-I194 HydrophobicContact CD2-CD1 3.73Å; L192-I194 HydrophobicContact CD2-CG1 4.17Å; L192-I194 HydrophobicContact CG-CD1 4.08Å; L192-I194 HydrophobicContact CG-CG1 4.2Å; I194-F196 HydrophobicContact CG2-CD1 3.9Å; I194-F196 HydrophobicContact CG2-CE1 3.45Å; I194-F196 VanDerWaalsContact CG2-CE1 3.45Å; I194-F196 HydrophobicContact CG2-CZ 3.91Å; I194-V333 WeakPolarHBondContact CA-O 3.43Å; I194-V333 HydrophobicContact CG1-CB 4.21Å; I194-Y335 HydrophobicContact CG2-CD2 4.18Å; I194-Y335 HydrophobicContact CG2-CE2 4.1Å; I194-L387 HydrophobicContact CB-CD1 4.33Å; I194-L387 HydrophobicContact CD1-CD1 3.53Å; I194-L387 HydrophobicContact CD1-CG 4.42Å; I194-L387 HydrophobicContact CG1-CD1 3.65Å; I194-L387 HydrophobicContact CG2-CD1 3.83Å; I194-M391 HydrophobicContact CD1-CG 3.85Å; I194-M391 HydrophobicContact CD1-SD 4Å |
| 195 | A | 98.6 | Very high | 96.1 | Very high | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.008 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 113.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | F193 P198 V333 I334 Y335 | F193-A195 HydrophobicContact CE1-CB 4.04Å; F193-A195 HydrophobicContact CE2-CB 4.04Å; F193-A195 HydrophobicContact CZ-CB 3.68Å; A195-P198 HydrophobicContact CB-CB 4.02Å; A195-P198 HydrophobicContact CB-CG 4.05Å; A195-V333 PolarHBondContact N-O 3.29Å; A195-I334 HydrophobicContact CB-CG1 4.48Å; A195-Y335 PolarHBondContact O-N 3.41Å |
| 196 | F | 98.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 118 | 173 | -65.6 | -25.3 | 0 | 0 | 0 | 109.7 | W91 L100 I167 G168 F169 S170 I194 Y335 Y373 I383 L387 | W91-F196 HydrophobicContact CH2-CD2 4.11Å; W91-F196 HydrophobicContact CH2-CE2 4.5Å; W91-F196 HydrophobicContact CZ3-CD2 4.11Å; W91-F196 HydrophobicContact CZ3-CE2 4.15Å; L100-F196 HydrophobicContact CD2-CE2 3.8Å; L100-F196 HydrophobicContact CD2-CZ 4.33Å; I167-F196 HydrophobicContact CG2-CD2 3.79Å; I167-F196 HydrophobicContact CG2-CE2 3.46Å; I167-F196 VanDerWaalsContact CG2-CE2 3.46Å; I167-F196 HydrophobicContact CG2-CZ 3.97Å; G168-F196 PolarHBondContact O-N 2.78Å; F169-F196 WeakPolarHBondContact CA-O 3.25Å; F169-F196 HydrophobicContact CB-CB 4.43Å; F169-F196 HydrophobicContact CD2-CB 4.11Å; F169-F196 WeakPolarHBondContact CD2-O 3.33Å; S170-F196 PolarHBondContact N-O 3.37Å; I194-F196 HydrophobicContact CG2-CD1 3.9Å; I194-F196 HydrophobicContact CG2-CE1 3.45Å; I194-F196 VanDerWaalsContact CG2-CE1 3.45Å; I194-F196 HydrophobicContact CG2-CZ 3.91Å; F196-Y335 AromaticContact CD1-CD2 3.65Å; F196-Y335 HydrophobicContact CD1-CD2 3.65Å; F196-Y335 HydrophobicContact CD1-CE2 4.49Å; F196-Y335 AromaticContact CD1-CG 3.98Å; F196-Y335 HydrophobicContact CD1-CG 3.98Å; F196-Y335 AromaticContact CE1-CD2 3.46Å; F196-Y335 HydrophobicContact CE1-CD2 3.46Å; F196-Y335 VanDerWaalsContact CE1-CD2 3.46Å; F196-Y335 AromaticContact CE1-CE2 3.87Å; F196-Y335 HydrophobicContact CE1-CE2 3.87Å; F196-Y335 AromaticContact CE1-CG 3.99Å; F196-Y335 HydrophobicContact CE1-CG 3.99Å; F196-Y373 HydrophobicContact CB-CD1 4.04Å; F196-Y373 HydrophobicContact CB-CD2 4.13Å; F196-Y373 HydrophobicContact CB-CG 3.75Å; F196-Y373 HydrophobicContact CD1-CD1 4.4Å; F196-Y373 HydrophobicContact CG-CD1 4.33Å; F196-Y373 HydrophobicContact CG-CG 4.2Å; F196-I383 HydrophobicContact CE1-CG2 3.76Å; F196-I383 HydrophobicContact CZ-CG2 3.86Å; F196-L387 HydrophobicContact CZ-CD2 3.95Å |
| 197 | G | 97.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 13% | 0.13 | C | C | . | . | S | Bend | trans | 48.7 | 52.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | S170 V199 Y335 C343 H370 Y373 | S170-G197 WeakPolarHBondContact CA-O 3.41Å; G197-V199 PolarHBondContact O-N 3.36Å; G197-Y335 PolarHBondContact N-O 3.03Å; G197-C343 VanDerWaalsContact C-SG 3.51Å; G197-H370 PolarHBondContact O-CE1 3.49Å; G197-Y373 WeakPolarHBondContact CA-OH 3.47Å |
| 198 | P | 98.1 | Very high | 95.2 | Very high | 4 Ų | 4 | 24 Ų | 24 | 3% | 0.026 | 14% | 0.14 | C | C | . | . | trans | -59.9 | 136.1 | -173 | 23.2 | -32.3 | 0 | 0 | 0 | 112.5 | A195 I334 C343 I348 L351 | A195-P198 HydrophobicContact CB-CB 4.02Å; A195-P198 HydrophobicContact CB-CG 4.05Å; P198-I334 HydrophobicContact CG-CG2 3.96Å; P198-C343 PolarHBondContact O-SG 3.19Å; P198-I348 HydrophobicContact CG-CD1 3.63Å; P198-L351 HydrophobicContact CB-CD2 3.98Å; P198-L351 HydrophobicContact CG-CD2 3.88Å | ||
| 199 | V | 96.5 | Very high | 94.9 | Very high | 5 Ų | 5 | 21.1 Ų | 21.1 | 3% | 0.03 | 12% | 0.118 | C | C | . | . | trans | -111 | 169.2 | 172.3 | -54.9 | 0 | 0 | 0 | 0 | 110.9 | L174 G197 F202 F292 | L174-V199 HydrophobicContact CB-CG2 4.16Å; L174-V199 HydrophobicContact CD2-CG2 4.39Å; G197-V199 PolarHBondContact O-N 3.36Å; V199-F202 HydrophobicContact CB-CE1 3.94Å; V199-F202 HydrophobicContact CB-CZ 3.8Å; V199-F202 HydrophobicContact CG1-CE1 4.17Å; V199-F202 HydrophobicContact CG1-CZ 4.43Å; V199-F202 HydrophobicContact CG2-CZ 4.33Å; V199-F292 HydrophobicContact CG2-CE1 4.05Å | ||
| 200 | G | 91.5 | Very high | 94.5 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.01 | 12% | 0.123 | C | C | . | . | S | Bend | trans | 139.7 | -36.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | M295 | G200-M295 WeakPolarHBondContact O-CE 3.23Š|
| 201 | Y | 94.9 | Very high | 94.1 | Very high | 20 Ų | 20 | 25.3 Ų | 25.3 | 8% | 0.078 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -107 | 135.3 | 162.3 | -63.6 | -75.8 | 0 | 0 | 0 | 107.8 | L301 L325 S347 L350 L351 R354 | Y201-L301 HydrophobicContact CD1-CB 4.28Å; Y201-L301 HydrophobicContact CE1-CB 3.64Å; Y201-L301 HydrophobicContact CE2-CB 4.5Å; Y201-L301 HydrophobicContact CE2-CD2 4.12Å; Y201-L325 HydrophobicContact CE2-CD1 4.04Å; Y201-S347 VanDerWaalsContact O-CB 3.29Å; Y201-S347 WeakPolarHBondContact O-CB 3.36Å; Y201-S347 PolarHBondContact O-OG 2.78Å; Y201-L350 HydrophobicContact CG-CB 4.1Å; Y201-L351 HydrophobicContact CD2-CB 4.11Å; Y201-L351 HydrophobicContact CD2-CD1 4.12Å; Y201-L351 HydrophobicContact CE2-CD1 4.09Å; Y201-R354 HydrophobicContact CE2-CG 3.95Å |
| 202 | F | 94.1 | Very high | 93.7 | Very high | 3 Ų | 3 | 26.3 Ų | 26.3 | 1% | 0.013 | 15% | 0.15 | C | C | . | . | trans | -124.3 | 118.8 | -177.9 | -67.2 | -73.3 | 0 | 0 | 0 | 109.8 | V199 V205 F292 M295 I296 H299 | V199-F202 HydrophobicContact CB-CE1 3.94Å; V199-F202 HydrophobicContact CB-CZ 3.8Å; V199-F202 HydrophobicContact CG1-CE1 4.17Å; V199-F202 HydrophobicContact CG1-CZ 4.43Å; V199-F202 HydrophobicContact CG2-CZ 4.33Å; F202-V205 HydrophobicContact CB-CG2 3.89Å; F202-V205 HydrophobicContact CD1-CG2 3.65Å; F202-V205 HydrophobicContact CG-CG2 4.17Å; F202-F292 AromaticContact CE2-CD1 3.88Å; F202-F292 HydrophobicContact CE2-CD1 3.88Å; F202-F292 HydrophobicContact CE2-CE1 4.31Å; F202-F292 AromaticContact CZ-CD1 3.59Å; F202-F292 HydrophobicContact CZ-CD1 3.59Å; F202-F292 AromaticContact CZ-CE1 3.82Å; F202-F292 HydrophobicContact CZ-CE1 3.82Å; F202-M295 HydrophobicContact CD2-CB 3.97Å; F202-M295 HydrophobicContact CE2-CB 4.05Å; F202-M295 HydrophobicContact CE2-CE 3.95Å; F202-M295 HydrophobicContact CE2-SD 4.41Å; F202-I296 HydrophobicContact CB-CB 4.43Å; F202-I296 HydrophobicContact CB-CG1 3.82Å; F202-I296 HydrophobicContact CD1-CG1 4.1Å; F202-I296 HydrophobicContact CD2-CG1 3.69Å; F202-I296 HydrophobicContact CE2-CG1 4.26Å; F202-I296 HydrophobicContact CG-CG1 3.6Å; F202-H299 PolarHBondContact O-ND1 3Å | ||
| 203 | A | 93.1 | Very high | 93.3 | Very high | 17 Ų | 17 | 26.3 Ų | 26.3 | 14% | 0.14 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -135.5 | 134.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | V205 T344 E346 S347 L350 | A203-V205 PolarHBondContact O-N 2.76Å; A203-T344 PolarHBondContact O-OG1 2.87Å; A203-E346 HydrophobicContact CB-CB 3.65Å; A203-S347 PolarHBondContact N-OG 3.15Å; A203-S347 PolarHBondContact O-OG 3.45Å; A203-L350 HydrophobicContact CB-CD1 3.84Å |
| 204 | N | 91.2 | Very high | 92.9 | Very high | 104 Ų | 104 | 29.1 Ų | 29.1 | 56% | 0.556 | 16% | 0.163 | S | C | * | . | S | Bend | trans | 54.6 | 34.4 | 176.9 | -61.3 | -10.4 | 0 | 0 | 0 | 114.8 | K206 T344 E346 | N204-K206 VanDerWaalsContact O-CG 3.29Å; N204-K206 WeakPolarHBondContact O-CG 3.25Å; N204-K206 PolarHBondContact O-N 3.1Å; N204-T344 WeakPolarHBondContact O-CG2 3.48Å; N204-E346 PolarHBondContact ND2-OE1 3.49Å |
| 205 | V | 91.6 | Very high | 92.4 | Very high | 24 Ų | 24 | 32.3 Ų | 32.3 | 15% | 0.145 | 18% | 0.177 | C | C | . | . | trans | -52.7 | 130 | 175.3 | 176.3 | 0 | 0 | 0 | 0 | 109.7 | F202 A203 F209 | F202-V205 HydrophobicContact CB-CG2 3.89Å; F202-V205 HydrophobicContact CD1-CG2 3.65Å; F202-V205 HydrophobicContact CG-CG2 4.17Å; A203-V205 PolarHBondContact O-N 2.76Å; V205-F209 HydrophobicContact CG1-CD1 4.23Å | ||
| 206 | K | 90.8 | Very high | 91.9 | Very high | 107 Ų | 107 | 32.7 Ų | 32.7 | 47% | 0.465 | 18% | 0.179 | S | C | . | . | trans | -107.2 | 173.9 | -175.5 | -56.8 | -178.7 | -175 | 167.3 | 0 | 110.9 | N204 H341 | N204-K206 VanDerWaalsContact O-CG 3.29Å; N204-K206 WeakPolarHBondContact O-CG 3.25Å; N204-K206 PolarHBondContact O-N 3.1Å; K206-H341 HydrophobicContact CB-CB 3.96Å; K206-H341 PolarHBondContact N-O 3Å | ||
| 207 | G | 90.1 | Very high | 91.3 | Very high | 39 Ų | 39 | 35 Ų | 35 | 40% | 0.402 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.5 | -160.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | S259 | G207-S259 CarbonylContact C-O 3.5Å; G207-S259 WeakPolarHBondContact CA-O 3.28Å |
| 208 | I | 90.5 | Very high | 90.8 | Very high | 61 Ų | 61 | 40.8 Ų | 40.8 | 31% | 0.313 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 2.6 | -173.3 | 71.5 | 168 | 0 | 0 | 0 | 113.7 | P211 L212 S259 I260 | I208-P211 HydrophobicContact CB-CG 4.25Å; I208-P211 VanDerWaalsContact O-CD 3.32Å; I208-P211 WeakPolarHBondContact O-CD 3.25Å; I208-P211 VanDerWaalsContact O-CG 3.29Å; I208-P211 WeakPolarHBondContact O-CG 3.35Å; I208-L212 VanDerWaalsContact O-CB 3.24Å; I208-L212 WeakPolarHBondContact O-CB 3.41Å; I208-L212 PolarHBondContact O-N 3.2Å; I208-S259 VanDerWaalsContact CD1-OG 3.29Å; I208-S259 WeakPolarHBondContact CD1-OG 3.32Å; I208-S259 PolarHBondContact N-O 3.09Å; I208-I260 HydrophobicContact CD1-CD1 4.37Å; I208-I260 HydrophobicContact CD1-CG1 3.79Å; I208-I260 HydrophobicContact CG1-CG1 3.52Å |
| 209 | F | 88.6 | Confident | 90.3 | Very high | 11 Ų | 11 | 41.4 Ų | 41.4 | 5% | 0.048 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63 | -44.9 | -178.4 | -175.6 | -108.4 | 0 | 0 | 0 | 112.1 | L84 V205 L212 V213 I260 F292 I296 L342 | L84-F209 HydrophobicContact CD2-CE2 3.75Å; L84-F209 HydrophobicContact CD2-CZ 3.77Å; V205-F209 HydrophobicContact CG1-CD1 4.23Å; F209-L212 WeakPolarHBondContact O-CB 3.32Å; F209-L212 PolarHBondContact O-N 3.45Å; F209-V213 HydrophobicContact CD2-CG1 4.45Å; F209-V213 HydrophobicContact CE1-CG1 4.04Å; F209-V213 HydrophobicContact CE2-CG1 3.93Å; F209-V213 HydrophobicContact CZ-CG1 3.71Å; F209-V213 PolarHBondContact O-N 3.39Å; F209-I260 HydrophobicContact CB-CG2 4.43Å; F209-I260 HydrophobicContact CD2-CG2 4.37Å; F209-F292 HydrophobicContact CZ-CB 4.46Å; F209-F292 HydrophobicContact CZ-CG 4.47Å; F209-I296 HydrophobicContact CD1-CD1 4.18Å; F209-I296 HydrophobicContact CE1-CD1 3.98Å; F209-L342 HydrophobicContact CB-CD1 4.41Å; F209-L342 HydrophobicContact CB-CG 4.41Å; F209-L342 HydrophobicContact CD1-CD2 4.09Å; F209-L342 HydrophobicContact CD1-CG 4.12Å; F209-L342 HydrophobicContact CD2-CD2 4.06Å; F209-L342 HydrophobicContact CE1-CD2 4.18Å; F209-L342 HydrophobicContact CE2-CD2 4.17Å; F209-L342 HydrophobicContact CG-CD2 4.03Å; F209-L342 HydrophobicContact CG-CG 4.13Å; F209-L342 HydrophobicContact CZ-CD2 4.22Å |
| 210 | L | 88.4 | Confident | 89.8 | Confident | 48 Ų | 48 | 44 Ų | 44 | 25% | 0.251 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -58.4 | -56.3 | 176.6 | 179.7 | 54.9 | 0 | 0 | 0 | 112.9 | L212 V213 H214 I296 | L210-L212 PolarHBondContact O-N 3.19Å; L210-V213 HydrophobicContact CD1-CG2 4.37Å; L210-V213 VanDerWaalsContact O-CG2 3.27Å; L210-V213 WeakPolarHBondContact O-CG2 3.41Å; L210-V213 PolarHBondContact O-N 3.25Å; L210-H214 WeakPolarHBondContact CD1-CE1 3.49Å; L210-H214 WeakPolarHBondContact CD1-NE2 3.35Å; L210-H214 PolarHBondContact O-N 3.02Å; L210-I296 HydrophobicContact CD1-CB 4.19Å; L210-I296 HydrophobicContact CD1-CD1 4.16Å; L210-I296 HydrophobicContact CD1-CG2 3.51Å; L210-I296 HydrophobicContact CD2-CG2 4.47Å |
| 211 | P | 90.8 | Very high | 89.6 | Confident | 73 Ų | 73 | 51.6 Ų | 51.6 | 47% | 0.474 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.8 | -26.5 | 177.3 | 22.7 | -32.4 | 0 | 0 | 0 | 112.9 | I208 H215 | I208-P211 HydrophobicContact CB-CG 4.25Å; I208-P211 VanDerWaalsContact O-CD 3.32Å; I208-P211 WeakPolarHBondContact O-CD 3.25Å; I208-P211 VanDerWaalsContact O-CG 3.29Å; I208-P211 WeakPolarHBondContact O-CG 3.35Å; P211-H215 WeakPolarHBondContact O-CB 3.48Å; P211-H215 PolarHBondContact O-N 3.22Å |
| 212 | L | 88.1 | Confident | 89.2 | Confident | 34 Ų | 34 | 55.1 Ų | 55.1 | 18% | 0.178 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65 | -51.3 | 173.7 | -180 | 69.3 | 0 | 0 | 0 | 111.4 | I208 F209 L210 H215 Y216 | I208-L212 VanDerWaalsContact O-CB 3.24Å; I208-L212 WeakPolarHBondContact O-CB 3.41Å; I208-L212 PolarHBondContact O-N 3.2Å; F209-L212 WeakPolarHBondContact O-CB 3.32Å; F209-L212 PolarHBondContact O-N 3.45Å; L210-L212 PolarHBondContact O-N 3.19Å; L212-H215 WeakPolarHBondContact O-CB 3.48Å; L212-H215 PolarHBondContact O-N 3.19Å; L212-Y216 HydrophobicContact CD1-CE2 3.99Å; L212-Y216 HydrophobicContact CG-CE2 4.25Å; L212-Y216 VanDerWaalsContact O-CD2 3.28Å; L212-Y216 WeakPolarHBondContact O-CD2 3.25Å; L212-Y216 PolarHBondContact O-N 3.09Å |
| 213 | V | 89.1 | Confident | 88.8 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -69.7 | -37 | -179 | -61.6 | 0 | 0 | 0 | 0 | 112.1 | F209 L210 H215 Y216 V217 F292 I296 | F209-V213 HydrophobicContact CD2-CG1 4.45Å; F209-V213 HydrophobicContact CE1-CG1 4.04Å; F209-V213 HydrophobicContact CE2-CG1 3.93Å; F209-V213 HydrophobicContact CZ-CG1 3.71Å; F209-V213 PolarHBondContact O-N 3.39Å; L210-V213 HydrophobicContact CD1-CG2 4.37Å; L210-V213 VanDerWaalsContact O-CG2 3.27Å; L210-V213 WeakPolarHBondContact O-CG2 3.41Å; L210-V213 PolarHBondContact O-N 3.25Å; V213-H215 PolarHBondContact O-N 2.94Å; V213-Y216 WeakPolarHBondContact O-CB 3.35Å; V213-Y216 PolarHBondContact O-N 2.98Å; V213-V217 PolarHBondContact O-N 3.19Å; V213-V217 VanDerWaalsContact O-N 3.16Å; V213-F292 HydrophobicContact CG1-CB 4.28Å; V213-I296 HydrophobicContact CG2-CD1 3.97Å |
| 214 | H | 90.7 | Very high | 88.4 | Confident | 59 Ų | 59 | 56.1 Ų | 56.1 | 27% | 0.273 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -58 | -39 | 171.2 | -74.3 | 160.1 | 0 | 0 | 0 | 112 | L210 Y216 V217 T218 S293 D297 | L210-H214 WeakPolarHBondContact CD1-CE1 3.49Å; L210-H214 WeakPolarHBondContact CD1-NE2 3.35Å; L210-H214 PolarHBondContact O-N 3.02Å; H214-Y216 VanDerWaalsContact C-N 3.29Å; H214-Y216 PolarHBondContact O-N 3.11Å; H214-V217 WeakPolarHBondContact O-CB 3.43Å; H214-V217 PolarHBondContact O-N 3Å; H214-V217 VanDerWaalsContact O-N 3.12Å; H214-T218 PolarHBondContact O-N 3.26Å; H214-T218 VanDerWaalsContact O-N 3.11Å; H214-T218 PolarHBondContact O-OG1 3.49Å; H214-S293 PolarHBondContact CD2-OG 3.13Å; H214-D297 IonicContact CD2-OD1 2.89Å; H214-D297 IonicContact CD2-OD2 3.94Å; H214-D297 IonicContact CE1-OD1 3.67Å; H214-D297 IonicContact NE2-OD1 2.83Å; H214-D297 PolarHBondContact NE2-OD1 3.25Å; H214-D297 IonicContact NE2-OD2 3.87Å; H214-D297 PolarHBondContact NE2-OD2 2.83Å |
| 215 | H | 87.6 | Confident | 88 | Confident | 67 Ų | 67 | 60.6 Ų | 60.6 | 31% | 0.31 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.3 | -38.6 | 175.8 | -177 | 56.3 | 0 | 0 | 0 | 112.1 | M1 P211 L212 V213 V217 T218 A219 | M1-H215 PolarHBondContact N-CE1 2.78Å; M1-H215 PolarHBondContact N-NE2 3.4Å; P211-H215 WeakPolarHBondContact O-CB 3.48Å; P211-H215 PolarHBondContact O-N 3.22Å; L212-H215 WeakPolarHBondContact O-CB 3.48Å; L212-H215 PolarHBondContact O-N 3.19Å; V213-H215 PolarHBondContact O-N 2.94Å; H215-V217 VanDerWaalsContact C-N 3.32Å; H215-V217 PolarHBondContact O-N 3.25Å; H215-T218 PolarHBondContact O-N 2.88Å; H215-A219 VanDerWaalsContact O-CB 3.27Å; H215-A219 WeakPolarHBondContact O-CB 3.36Å; H215-A219 PolarHBondContact O-N 3.12Å |
| 216 | Y | 87.2 | Confident | 87.8 | Confident | 9 Ų | 9 | 64.3 Ų | 64.3 | 4% | 0.035 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65.6 | -34.9 | 175 | -80.4 | -82 | 0 | 0 | 0 | 112 | L212 V213 H214 Q220 L223 V231 I286 L289 | L212-Y216 HydrophobicContact CD1-CE2 3.99Å; L212-Y216 HydrophobicContact CG-CE2 4.25Å; L212-Y216 VanDerWaalsContact O-CD2 3.28Å; L212-Y216 WeakPolarHBondContact O-CD2 3.25Å; L212-Y216 PolarHBondContact O-N 3.09Å; V213-Y216 WeakPolarHBondContact O-CB 3.35Å; V213-Y216 PolarHBondContact O-N 2.98Å; H214-Y216 VanDerWaalsContact C-N 3.29Å; H214-Y216 PolarHBondContact O-N 3.11Å; Y216-Q220 VanDerWaalsContact O-CA 3.25Å; Y216-Q220 WeakPolarHBondContact O-CA 3.18Å; Y216-Q220 WeakPolarHBondContact O-CB 3.28Å; Y216-Q220 PolarHBondContact O-N 2.72Å; Y216-L223 HydrophobicContact CD1-CD1 3.58Å; Y216-L223 HydrophobicContact CE1-CD1 3.6Å; Y216-L223 HydrophobicContact CG-CD1 4.36Å; Y216-V231 HydrophobicContact CD1-CG2 4.35Å; Y216-V231 HydrophobicContact CE1-CB 4.44Å; Y216-V231 HydrophobicContact CE1-CG1 3.83Å; Y216-V231 HydrophobicContact CE1-CG2 3.7Å; Y216-V231 HydrophobicContact CE2-CG1 4.44Å; Y216-V231 WeakPolarHBondContact OH-CG1 3.44Å; Y216-I286 HydrophobicContact CD1-CG1 4.25Å; Y216-I286 HydrophobicContact CD1-CG2 4.44Å; Y216-I286 HydrophobicContact CE1-CG1 4.45Å; Y216-L289 HydrophobicContact CD1-CD1 4.02Å; Y216-L289 HydrophobicContact CD2-CB 4.24Å; Y216-L289 HydrophobicContact CD2-CD1 3.45Å; Y216-L289 VanDerWaalsContact CD2-CD1 3.45Å; Y216-L289 HydrophobicContact CD2-CG 4.49Å; Y216-L289 HydrophobicContact CE1-CD1 3.96Å; Y216-L289 HydrophobicContact CE2-CD1 3.41Å; Y216-L289 VanDerWaalsContact CE2-CD1 3.41Å; Y216-L289 HydrophobicContact CG-CB 4.1Å; Y216-L289 HydrophobicContact CG-CD1 3.79Å |
| 217 | V | 87.3 | Confident | 87.5 | Confident | 50 Ų | 50 | 61.1 Ų | 61.1 | 30% | 0.303 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.6 | -50.2 | 172.9 | -179.5 | 0 | 0 | 0 | 0 | 111.4 | V213 H214 H215 Q220 V290 S293 | V213-V217 PolarHBondContact O-N 3.19Å; V213-V217 VanDerWaalsContact O-N 3.16Å; H214-V217 WeakPolarHBondContact O-CB 3.43Å; H214-V217 PolarHBondContact O-N 3Å; H214-V217 VanDerWaalsContact O-N 3.12Å; H215-V217 VanDerWaalsContact C-N 3.32Å; H215-V217 PolarHBondContact O-N 3.25Å; V217-Q220 WeakPolarHBondContact O-CG 3.39Å; V217-Q220 PolarHBondContact O-NE2 2.95Å; V217-V290 HydrophobicContact CG2-CG1 4.27Å; V217-V290 HydrophobicContact CG2-CG2 4.38Å; V217-S293 WeakPolarHBondContact CG2-OG 3.41Å |
| 218 | T | 87.3 | Confident | 87.4 | Confident | 121 Ų | 121 | 66.5 Ų | 66.5 | 74% | 0.742 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -67.9 | -38 | -178.2 | -49.3 | 0 | 0 | 0 | 0 | 112.3 | H214 H215 | H214-T218 PolarHBondContact O-N 3.26Å; H214-T218 VanDerWaalsContact O-N 3.11Å; H214-T218 PolarHBondContact O-OG1 3.49Å; H215-T218 PolarHBondContact O-N 2.88Å |
| 219 | A | 86.7 | Confident | 87.3 | Confident | 17 Ų | 17 | 63.9 Ų | 63.9 | 14% | 0.14 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -101.6 | 4.5 | -172 | 0 | 0 | 0 | 0 | 0 | 114 | H215 F221 V222 L223 | H215-A219 VanDerWaalsContact O-CB 3.27Å; H215-A219 WeakPolarHBondContact O-CB 3.36Å; H215-A219 PolarHBondContact O-N 3.12Å; A219-F221 VanDerWaalsContact C-N 3.25Å; A219-F221 PolarHBondContact O-N 3.2Å; A219-F221 VanDerWaalsContact O-N 3.09Å; A219-V222 PolarHBondContact O-N 3.14Å; A219-L223 HydrophobicContact CB-CD1 3.66Å; A219-L223 HydrophobicContact CB-CG 3.81Å; A219-L223 WeakPolarHBondContact O-CB 3.29Å; A219-L223 WeakPolarHBondContact O-CG 3.38Å; A219-L223 PolarHBondContact O-N 2.82Å |
| 220 | Q | 87.1 | Confident | 87.5 | Confident | 59 Ų | 59 | 65.2 Ų | 65.2 | 28% | 0.276 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -52.7 | -37.3 | -172.1 | 59.6 | -173.6 | -61 | 0 | 0 | 114.3 | Y216 V217 G224 I286 V290 | Y216-Q220 VanDerWaalsContact O-CA 3.25Å; Y216-Q220 WeakPolarHBondContact O-CA 3.18Å; Y216-Q220 WeakPolarHBondContact O-CB 3.28Å; Y216-Q220 PolarHBondContact O-N 2.72Å; V217-Q220 WeakPolarHBondContact O-CG 3.39Å; V217-Q220 PolarHBondContact O-NE2 2.95Å; Q220-G224 VanDerWaalsContact O-CA 3.29Å; Q220-G224 WeakPolarHBondContact O-CA 3.19Å; Q220-G224 PolarHBondContact O-N 3.18Å; Q220-I286 HydrophobicContact CB-CG2 3.75Å; Q220-V290 HydrophobicContact CB-CG2 4.33Å |
| 221 | F | 85.4 | Confident | 87.6 | Confident | 161 Ų | 161 | 63.1 Ų | 63.1 | 71% | 0.706 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -70.8 | -43.9 | 180 | -62.9 | -69 | 0 | 0 | 0 | 111.7 | A219 Y225 | A219-F221 VanDerWaalsContact C-N 3.25Å; A219-F221 PolarHBondContact O-N 3.2Å; A219-F221 VanDerWaalsContact O-N 3.09Å; F221-Y225 WeakPolarHBondContact O-CB 3.29Å; F221-Y225 PolarHBondContact O-N 3.22Å; F221-Y225 VanDerWaalsContact O-N 3.07Å |
| 222 | V | 87.4 | Confident | 87.5 | Confident | 94 Ų | 94 | 61.3 Ų | 61.3 | 57% | 0.57 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -70.1 | -49.9 | 178.6 | 176.9 | 0 | 0 | 0 | 0 | 110.2 | A219 G224 Y225 L226 | A219-V222 PolarHBondContact O-N 3.14Å; V222-G224 VanDerWaalsContact C-N 3.35Å; V222-G224 PolarHBondContact O-N 3.36Å; V222-Y225 PolarHBondContact O-N 2.73Å; V222-L226 HydrophobicContact CG1-CD1 3.82Å; V222-L226 HydrophobicContact CG1-CG 4.41Å; V222-L226 WeakPolarHBondContact O-CB 3.45Å; V222-L226 VanDerWaalsContact O-CG 3.26Å; V222-L226 WeakPolarHBondContact O-CG 3.28Å; V222-L226 PolarHBondContact O-N 2.75Å |
| 223 | L | 85.7 | Confident | 87.5 | Confident | 30 Ų | 30 | 61 Ų | 61 | 16% | 0.157 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.6 | -43.3 | 177.7 | -68.9 | 177.5 | 0 | 0 | 0 | 110.9 | Y216 A219 Y225 L226 T227 I286 | Y216-L223 HydrophobicContact CD1-CD1 3.58Å; Y216-L223 HydrophobicContact CE1-CD1 3.6Å; Y216-L223 HydrophobicContact CG-CD1 4.36Å; A219-L223 HydrophobicContact CB-CD1 3.66Å; A219-L223 HydrophobicContact CB-CG 3.81Å; A219-L223 WeakPolarHBondContact O-CB 3.29Å; A219-L223 WeakPolarHBondContact O-CG 3.38Å; A219-L223 PolarHBondContact O-N 2.82Å; L223-Y225 VanDerWaalsContact C-N 3.28Å; L223-Y225 PolarHBondContact O-N 2.92Å; L223-L226 PolarHBondContact O-N 3.04Å; L223-L226 VanDerWaalsContact O-N 3.13Å; L223-T227 WeakPolarHBondContact O-CB 3.18Å; L223-T227 WeakPolarHBondContact O-CG2 3.41Å; L223-T227 PolarHBondContact O-N 3.28Å; L223-T227 PolarHBondContact O-OG1 2.92Å; L223-I286 HydrophobicContact CB-CD1 3.77Å |
| 224 | G | 83.8 | Confident | 87.3 | Confident | 11 Ų | 11 | 61.7 Ų | 61.7 | 11% | 0.113 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.1 | -35 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q220 V222 R228 G229 | Q220-G224 VanDerWaalsContact O-CA 3.29Å; Q220-G224 WeakPolarHBondContact O-CA 3.19Å; Q220-G224 PolarHBondContact O-N 3.18Å; V222-G224 VanDerWaalsContact C-N 3.35Å; V222-G224 PolarHBondContact O-N 3.36Å; G224-R228 CarbonylContact O-C 3.55Å; G224-R228 WeakPolarHBondContact O-CA 3.35Å; G224-R228 PolarHBondContact O-N 3.45Å; G224-G229 PolarHBondContact O-N 3.16Å |
| 225 | Y | 84.2 | Confident | 87 | Confident | 197 Ų | 197 | 61.1 Ų | 61.1 | 77% | 0.773 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -68.3 | -47.4 | 170.8 | -178.1 | -98.8 | 0 | 0 | 0 | 111.9 | F221 V222 L223 | F221-Y225 WeakPolarHBondContact O-CB 3.29Å; F221-Y225 PolarHBondContact O-N 3.22Å; F221-Y225 VanDerWaalsContact O-N 3.07Å; V222-Y225 PolarHBondContact O-N 2.73Å; L223-Y225 VanDerWaalsContact C-N 3.28Å; L223-Y225 PolarHBondContact O-N 2.92Å |
| 226 | L | 85.9 | Confident | 86.9 | Confident | 102 Ų | 102 | 63.3 Ų | 63.3 | 53% | 0.534 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -71.8 | -31.7 | -175 | -69.5 | 176 | 0 | 0 | 0 | 114.1 | V222 L223 | V222-L226 HydrophobicContact CG1-CD1 3.82Å; V222-L226 HydrophobicContact CG1-CG 4.41Å; V222-L226 WeakPolarHBondContact O-CB 3.45Å; V222-L226 VanDerWaalsContact O-CG 3.26Å; V222-L226 WeakPolarHBondContact O-CG 3.28Å; V222-L226 PolarHBondContact O-N 2.75Å; L223-L226 PolarHBondContact O-N 3.04Å; L223-L226 VanDerWaalsContact O-N 3.13Å |
| 227 | T | 85.2 | Confident | 86.8 | Confident | 40 Ų | 40 | 67.8 Ų | 67.8 | 25% | 0.245 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -109.6 | 1.2 | -176.4 | 74.6 | 0 | 0 | 0 | 0 | 112.9 | L223 G229 E230 | L223-T227 WeakPolarHBondContact O-CB 3.18Å; L223-T227 WeakPolarHBondContact O-CG2 3.41Å; L223-T227 PolarHBondContact O-N 3.28Å; L223-T227 PolarHBondContact O-OG1 2.92Å; T227-G229 PolarHBondContact O-N 3.11Å; T227-G229 VanDerWaalsContact O-N 3.11Å; T227-G229 PolarHBondContact OG1-N 3.41Å; T227-E230 WeakPolarHBondContact CB-O 3.15Å; T227-E230 PolarHBondContact O-N 2.93Å; T227-E230 VanDerWaalsContact O-N 3.16Å; T227-E230 PolarHBondContact OG1-O 2.92Å |
| 228 | R | 87.7 | Confident | 86.8 | Confident | 153 Ų | 153 | 66 Ų | 66 | 58% | 0.577 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.1 | 17.6 | -173.8 | -55.5 | 174.6 | 179.3 | 177.8 | -2.7 | 113.7 | S131 G224 | S131-R228 WeakPolarHBondContact O-CD 3.43Å; G224-R228 CarbonylContact O-C 3.55Å; G224-R228 WeakPolarHBondContact O-CA 3.35Å; G224-R228 PolarHBondContact O-N 3.45Å |
| 229 | G | 88.3 | Confident | 86.8 | Confident | 6 Ų | 6 | 63 Ų | 63 | 6% | 0.062 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 101.4 | -16.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | G224 T227 S285 I286 | G224-G229 PolarHBondContact O-N 3.16Å; T227-G229 PolarHBondContact O-N 3.11Å; T227-G229 VanDerWaalsContact O-N 3.11Å; T227-G229 PolarHBondContact OG1-N 3.41Å; G229-S285 WeakPolarHBondContact O-CA 3.18Å; G229-I286 PolarHBondContact O-N 2.97Å |
| 230 | E | 93.3 | Very high | 86.9 | Confident | 39 Ų | 39 | 62.5 Ų | 62.5 | 18% | 0.182 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 142.1 | 176.1 | -170.1 | 165.6 | -150.9 | 0 | 0 | 110.9 | K123 W136 T227 P233 | K123-E230 WeakPolarHBondContact CD-OE1 3.32Å; K123-E230 IonicContact NZ-OE1 2.87Å; K123-E230 PolarHBondContact NZ-OE1 2.86Å; W136-E230 HydrophobicContact CD2-CB 4.15Å; W136-E230 HydrophobicContact CE3-CB 4.37Å; W136-E230 HydrophobicContact CH2-CB 3.7Å; W136-E230 VanDerWaalsContact CH2-CD 3.48Å; W136-E230 HydrophobicContact CH2-CG 3.34Å; W136-E230 WeakPolarHBondContact CH2-OE1 3.11Å; W136-E230 HydrophobicContact CZ2-CB 3.43Å; W136-E230 VanDerWaalsContact CZ2-CB 3.43Å; W136-E230 VanDerWaalsContact CZ2-CD 3.48Å; W136-E230 HydrophobicContact CZ2-CG 3.52Å; W136-E230 HydrophobicContact CZ3-CB 4.16Å; W136-E230 HydrophobicContact CZ3-CG 3.94Å; T227-E230 WeakPolarHBondContact CB-O 3.15Å; T227-E230 PolarHBondContact O-N 2.93Å; T227-E230 VanDerWaalsContact O-N 3.16Å; T227-E230 PolarHBondContact OG1-O 2.92Å; E230-P233 HydrophobicContact CG-CB 4.21Å; E230-P233 HydrophobicContact CG-CG 4.25Å; E230-P233 WeakPolarHBondContact OE1-CB 3.36Å |
| 231 | V | 90.8 | Very high | 86.9 | Confident | 3 Ų | 3 | 60.7 Ų | 60.7 | 2% | 0.018 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 126.8 | 176.2 | -178.7 | 0 | 0 | 0 | 0 | 110.4 | L85 Y216 G283 T284 I286 L289 | L85-V231 HydrophobicContact CD2-CG1 4.47Å; L85-V231 WeakPolarHBondContact CD2-O 3.45Å; Y216-V231 HydrophobicContact CD1-CG2 4.35Å; Y216-V231 HydrophobicContact CE1-CB 4.44Å; Y216-V231 HydrophobicContact CE1-CG1 3.83Å; Y216-V231 HydrophobicContact CE1-CG2 3.7Å; Y216-V231 HydrophobicContact CE2-CG1 4.44Å; Y216-V231 WeakPolarHBondContact OH-CG1 3.44Å; V231-G283 WeakPolarHBondContact O-CA 3.49Å; V231-T284 HydrophobicContact CB-CG2 4.2Å; V231-T284 PolarHBondContact N-O 2.95Å; V231-T284 PolarHBondContact O-N 3.35Å; V231-T284 VanDerWaalsContact O-N 3.11Å; V231-I286 HydrophobicContact CG2-CB 4.27Å; V231-I286 HydrophobicContact CG2-CG1 3.36Å; V231-L289 HydrophobicContact CB-CD1 4.25Å; V231-L289 HydrophobicContact CG1-CD1 3.65Å; V231-L289 HydrophobicContact CG2-CD1 4.23Å |
| 232 | L | 87.9 | Confident | 86.9 | Confident | 35 Ų | 35 | 53 Ų | 53 | 18% | 0.183 | 25% | 0.254 | C | S | . | . | S | Bend | trans | 47.7 | 61.5 | 170.9 | -64.6 | 173.5 | 0 | 0 | 0 | 113.8 | V4 L85 P281 G283 | V4-L232 HydrophobicContact CG2-CD2 4.42Å; L85-L232 HydrophobicContact CD1-CD1 3.91Å; L85-L232 HydrophobicContact CD2-CB 3.91Å; L232-P281 HydrophobicContact CB-CB 3.97Å; L232-P281 HydrophobicContact CB-CG 3.67Å; L232-P281 HydrophobicContact CG-CG 4.5Å; L232-P281 CarbonylContact O-C 3.58Å; L232-P281 WeakPolarHBondContact O-CB 3.12Å; L232-G283 PolarHBondContact O-N 3.3Å; L232-G283 VanDerWaalsContact O-N 3.12Å |
| 233 | P | 88.4 | Confident | 86.9 | Confident | 27 Ų | 27 | 50.3 Ų | 50.3 | 18% | 0.175 | 24% | 0.235 | C | C | . | . | trans | -73.6 | 155.5 | 175 | 31.7 | -34.7 | 0 | 0 | 0 | 112.6 | E230 D235 M238 P281 | E230-P233 HydrophobicContact CG-CB 4.21Å; E230-P233 HydrophobicContact CG-CG 4.25Å; E230-P233 WeakPolarHBondContact OE1-CB 3.36Å; P233-D235 HydrophobicContact CG-CB 4.38Å; P233-D235 PolarHBondContact O-N 2.88Å; P233-M238 VanDerWaalsContact O-CG 3.25Å; P233-M238 WeakPolarHBondContact O-CG 3.48Å; P233-P281 CarbonylContact C-O 3.58Å | ||
| 234 | S | 84.5 | Confident | 87 | Confident | 16 Ų | 16 | 51.1 Ų | 51.1 | 11% | 0.112 | 24% | 0.236 | C | C | . | . | trans | -78.2 | 64.1 | 173.1 | -167.5 | 0 | 0 | 0 | 0 | 111.6 | T120 A278 H279 P281 | T120-S234 WeakPolarHBondContact OG1-CB 3.36Å; S234-A278 PolarHBondContact OG-O 2.69Å; S234-H279 VanDerWaalsContact OG-CA 3.3Å; S234-H279 WeakPolarHBondContact OG-CA 3.36Å; S234-P281 VanDerWaalsContact CA-O 3.31Å; S234-P281 WeakPolarHBondContact CA-O 3.35Å; S234-P281 VanDerWaalsContact CB-O 3.3Å; S234-P281 WeakPolarHBondContact CB-O 3.49Å; S234-P281 PolarHBondContact N-O 3.41Å; S234-P281 VanDerWaalsContact N-O 3.1Å | ||
| 235 | D | 85.9 | Confident | 87.3 | Confident | 47 Ų | 47 | 51.1 Ų | 51.1 | 25% | 0.251 | 23% | 0.234 | S | C | . | . | trans | -89.9 | -172.6 | -176.5 | 68.9 | 17.7 | 0 | 0 | 0 | 113 | P233 Y237 M238 K239 | P233-D235 HydrophobicContact CG-CB 4.38Å; P233-D235 PolarHBondContact O-N 2.88Å; D235-Y237 PolarHBondContact O-N 3.34Å; D235-Y237 WeakPolarHBondContact OD1-CA 3.42Å; D235-Y237 VanDerWaalsContact OD1-CB 3.25Å; D235-Y237 WeakPolarHBondContact OD1-CB 3.36Å; D235-Y237 WeakPolarHBondContact OD1-CD2 3.47Å; D235-Y237 PolarHBondContact OD1-N 2.99Å; D235-Y237 WeakPolarHBondContact OD2-CD2 3.47Å; D235-M238 PolarHBondContact O-N 3.37Å; D235-M238 VanDerWaalsContact O-N 3.13Å; D235-M238 PolarHBondContact OD1-N 3.48Å; D235-K239 PolarHBondContact O-N 3.31Å | ||
| 236 | H | 85.2 | Confident | 87.5 | Confident | 113 Ų | 113 | 41.8 Ų | 41.8 | 52% | 0.523 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -57.8 | -29.9 | 178 | -174.2 | 72 | 0 | 0 | 0 | 112.9 | K239 I240 | H236-K239 PolarHBondContact O-N 3.46Å; H236-I240 WeakPolarHBondContact NE2-CD1 3.24Å; H236-I240 WeakPolarHBondContact O-CG1 3.46Å; H236-I240 PolarHBondContact O-N 3.32Å |
| 237 | Y | 84.8 | Confident | 87.6 | Confident | 102 Ų | 102 | 38.2 Ų | 38.2 | 40% | 0.4 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -71.3 | -37.7 | 177.7 | -58.9 | -75.8 | 0 | 0 | 0 | 111.5 | D235 K239 I240 L241 | D235-Y237 PolarHBondContact O-N 3.34Å; D235-Y237 WeakPolarHBondContact OD1-CA 3.42Å; D235-Y237 VanDerWaalsContact OD1-CB 3.25Å; D235-Y237 WeakPolarHBondContact OD1-CB 3.36Å; D235-Y237 WeakPolarHBondContact OD1-CD2 3.47Å; D235-Y237 PolarHBondContact OD1-N 2.99Å; D235-Y237 WeakPolarHBondContact OD2-CD2 3.47Å; Y237-K239 VanDerWaalsContact C-N 3.31Å; Y237-K239 PolarHBondContact O-N 3.01Å; Y237-I240 PolarHBondContact O-N 3.37Å; Y237-L241 VanDerWaalsContact O-CB 3.31Å; Y237-L241 WeakPolarHBondContact O-CB 3.3Å; Y237-L241 PolarHBondContact O-N 3.04Å |
| 238 | M | 87.3 | Confident | 87.8 | Confident | 14 Ų | 14 | 40.1 Ų | 40.1 | 7% | 0.069 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.7 | -38.2 | 172.5 | -67.4 | -52.4 | 96.3 | 0 | 0 | 111.4 | I7 P233 D235 L241 G242 P281 | I7-M238 HydrophobicContact CG2-CE 3.54Å; P233-M238 VanDerWaalsContact O-CG 3.25Å; P233-M238 WeakPolarHBondContact O-CG 3.48Å; D235-M238 PolarHBondContact O-N 3.37Å; D235-M238 VanDerWaalsContact O-N 3.13Å; D235-M238 PolarHBondContact OD1-N 3.48Å; M238-L241 HydrophobicContact CE-CD2 4.22Å; M238-L241 PolarHBondContact O-N 2.78Å; M238-L241 HydrophobicContact SD-CD2 4.11Å; M238-G242 PolarHBondContact O-N 3.03Å; M238-P281 HydrophobicContact SD-CG 4.22Å |
| 239 | K | 87.4 | Confident | 87.9 | Confident | 56 Ų | 56 | 40.2 Ų | 40.2 | 24% | 0.243 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.1 | -42.5 | 173.6 | -63.4 | -178.2 | -179.5 | -174.4 | 0 | 112.5 | Y33 D235 H236 Y237 K243 A278 | Y33-K239 HydrophobicContact CD1-CD 4.1Å; Y33-K239 HydrophobicContact CE1-CD 4.33Å; D235-K239 PolarHBondContact O-N 3.31Å; H236-K239 PolarHBondContact O-N 3.46Å; Y237-K239 VanDerWaalsContact C-N 3.31Å; Y237-K239 PolarHBondContact O-N 3.01Å; K239-K243 WeakPolarHBondContact O-CB 3.33Å; K239-K243 PolarHBondContact O-N 3.11Å; K239-A278 HydrophobicContact CG-CB 4.41Å |
| 240 | I | 87.7 | Confident | 88 | Confident | 8 Ų | 8 | 41.3 Ų | 41.3 | 4% | 0.041 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.7 | -46.2 | 173.6 | -73.3 | 173.7 | 0 | 0 | 0 | 110.6 | C14 F15 H236 Y237 K243 Y244 | C14-I240 HydrophobicContact CB-CG2 4.07Å; F15-I240 HydrophobicContact CD2-CD1 4.3Å; H236-I240 WeakPolarHBondContact NE2-CD1 3.24Å; H236-I240 WeakPolarHBondContact O-CG1 3.46Å; H236-I240 PolarHBondContact O-N 3.32Å; Y237-I240 PolarHBondContact O-N 3.37Å; I240-K243 PolarHBondContact O-N 3.29Å; I240-Y244 HydrophobicContact CB-CD2 4.42Å; I240-Y244 HydrophobicContact CG2-CD2 3.94Å; I240-Y244 WeakPolarHBondContact O-CB 3.18Å; I240-Y244 PolarHBondContact O-N 3.26Å |
| 241 | L | 87.2 | Confident | 87.9 | Confident | 20 Ų | 20 | 44.4 Ų | 44.4 | 11% | 0.105 | 22% | 0.215 | C | C | . | . | I | π-helix | trans | -60.2 | -50.3 | 179.6 | -176.9 | 73.3 | 0 | 0 | 0 | 110.6 | I7 I10 Y237 M238 V245 C246 I277 | I7-L241 HydrophobicContact CG2-CD1 4.45Å; I7-L241 HydrophobicContact CG2-CD2 3.8Å; I10-L241 HydrophobicContact CG2-CD1 4.48Å; Y237-L241 VanDerWaalsContact O-CB 3.31Å; Y237-L241 WeakPolarHBondContact O-CB 3.3Å; Y237-L241 PolarHBondContact O-N 3.04Å; M238-L241 HydrophobicContact CE-CD2 4.22Å; M238-L241 PolarHBondContact O-N 2.78Å; M238-L241 HydrophobicContact SD-CD2 4.11Å; L241-V245 HydrophobicContact CD1-CB 3.78Å; L241-V245 HydrophobicContact CD1-CG1 4.1Å; L241-V245 HydrophobicContact CD1-CG2 3.85Å; L241-V245 HydrophobicContact CG-CB 4.49Å; L241-V245 CarbonylContact O-C 3.56Å; L241-V245 WeakPolarHBondContact O-CA 3.36Å; L241-V245 VanDerWaalsContact O-CB 3.28Å; L241-V245 WeakPolarHBondContact O-CB 3.05Å; L241-V245 PolarHBondContact O-N 3.35Å; L241-C246 PolarHBondContact O-N 3.2Å; L241-I277 HydrophobicContact CB-CG2 4.39Å; L241-I277 HydrophobicContact CD2-CG2 3.84Å; L241-I277 HydrophobicContact CG-CG2 4.02Å |
| 242 | G | 86.4 | Confident | 87.9 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | I | π-helix | trans | -58.5 | -55.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | M238 C246 G247 P274 | M238-G242 PolarHBondContact O-N 3.03Å; G242-C246 CarbonylContact O-C 3.49Å; G242-G247 PolarHBondContact O-N 3.17Å; G242-P274 VanDerWaalsContact CA-O 3.3Å; G242-P274 WeakPolarHBondContact CA-O 3.32Å; G242-P274 WeakPolarHBondContact O-CA 3.41Å; G242-P274 VanDerWaalsContact O-CB 3.29Å; G242-P274 WeakPolarHBondContact O-CB 3.48Å |
| 243 | K | 86.8 | Confident | 88 | Confident | 38 Ų | 38 | 47.8 Ų | 47.8 | 17% | 0.165 | 23% | 0.234 | C | C | . | . | I | π-helix | trans | -59.7 | -52.7 | -176.2 | 179.2 | 179.3 | -178.7 | -174.9 | 0 | 113.7 | I28 Y33 K239 I240 G247 | I28-K243 HydrophobicContact CD1-CD 4.45Å; I28-K243 HydrophobicContact CG1-CG 4.37Å; I28-K243 HydrophobicContact CG2-CD 4.42Å; I28-K243 HydrophobicContact CG2-CG 4.27Å; Y33-K243 VanDerWaalsContact OH-CD 3.32Å; Y33-K243 WeakPolarHBondContact OH-CD 3.4Å; Y33-K243 PolarHBondContact OH-NZ 3.3Å; K239-K243 WeakPolarHBondContact O-CB 3.33Å; K239-K243 PolarHBondContact O-N 3.11Å; I240-K243 PolarHBondContact O-N 3.29Å; K243-G247 WeakPolarHBondContact O-CA 3.28Å |
| 244 | Y | 88.7 | Confident | 88.2 | Confident | 47 Ų | 47 | 47.1 Ų | 47.1 | 18% | 0.184 | 23% | 0.229 | C | C | . | . | I | π-helix | trans | -99 | -45.3 | -169.4 | -60.7 | -63.8 | 0 | 0 | 0 | 111.5 | N18 I240 F248 | N18-Y244 WeakPolarHBondContact OD1-CE2 3.38Å; N18-Y244 VanDerWaalsContact OD1-CZ 3.31Å; N18-Y244 PolarHBondContact OD1-OH 2.89Å; I240-Y244 HydrophobicContact CB-CD2 4.42Å; I240-Y244 HydrophobicContact CG2-CD2 3.94Å; I240-Y244 WeakPolarHBondContact O-CB 3.18Å; I240-Y244 PolarHBondContact O-N 3.26Å; Y244-F248 AromaticContact CD1-CE2 4Å; Y244-F248 HydrophobicContact CD1-CE2 4Å; Y244-F248 VanDerWaalsContact O-CB 3.29Å; Y244-F248 WeakPolarHBondContact O-CB 3.5Å; Y244-F248 WeakPolarHBondContact O-CD2 3.43Å; Y244-F248 WeakPolarHBondContact O-CG 3.32Å; Y244-F248 PolarHBondContact O-N 3Å; Y244-F248 VanDerWaalsContact O-N 3.15Å |
| 245 | V | 88.8 | Confident | 88.5 | Confident | 11 Ų | 11 | 50 Ų | 50 | 7% | 0.067 | 25% | 0.248 | C | C | . | . | I | π-helix | trans | -78.5 | -55 | -175.2 | -174.9 | 0 | 0 | 0 | 0 | 110.3 | I10 C14 L241 G247 F248 Y249 L252 | I10-V245 HydrophobicContact CG2-CG1 4.29Å; I10-V245 HydrophobicContact CG2-CG2 3.54Å; C14-V245 VanDerWaalsContact SG-CG2 3.59Å; L241-V245 HydrophobicContact CD1-CB 3.78Å; L241-V245 HydrophobicContact CD1-CG1 4.1Å; L241-V245 HydrophobicContact CD1-CG2 3.85Å; L241-V245 HydrophobicContact CG-CB 4.49Å; L241-V245 CarbonylContact O-C 3.56Å; L241-V245 WeakPolarHBondContact O-CA 3.36Å; L241-V245 VanDerWaalsContact O-CB 3.28Å; L241-V245 WeakPolarHBondContact O-CB 3.05Å; L241-V245 PolarHBondContact O-N 3.35Å; V245-G247 VanDerWaalsContact C-N 3.33Å; V245-F248 PolarHBondContact O-N 2.83Å; V245-Y249 CarbonylContact O-C 3.55Å; V245-Y249 WeakPolarHBondContact O-CA 3.3Å; V245-Y249 WeakPolarHBondContact O-CB 3.49Å; V245-Y249 PolarHBondContact O-N 3.03Å; V245-L252 HydrophobicContact CG1-CD2 4.39Å |
| 246 | C | 89.5 | Confident | 88.7 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.007 | 25% | 0.251 | C | S | . | . | I | π-helix | trans | -76.4 | -24.4 | -179.5 | -51.6 | 0 | 0 | 0 | 0 | 112.5 | L241 G242 P250 C253 L273 I277 | L241-C246 PolarHBondContact O-N 3.2Å; G242-C246 CarbonylContact O-C 3.49Å; C246-P250 WeakPolarHBondContact O-CA 2.97Å; C246-P250 WeakPolarHBondContact O-CB 3.39Å; C246-P250 WeakPolarHBondContact O-CD 3.44Å; C246-C253 WeakPolarHBondContact CA-SG 3.11Å; C246-C253 HydrophobicContact CB-CB 3.79Å; C246-C253 WeakPolarHBondContact CB-SG 3.47Å; C246-C253 WeakPolarHBondContact SG-CB 3.42Å; C246-C253 CovalentContact SG-SG 2.03Å; C246-C253 PolarHBondContact SG-SG 3.41Å; C246-L273 HydrophobicContact CB-CG 4.46Å; C246-I277 HydrophobicContact CB-CG1 4.33Å |
| 247 | G | 88.8 | Confident | 89.1 | Confident | 27 Ų | 27 | 45.6 Ų | 45.6 | 28% | 0.278 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -64 | -46.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | G242 K243 V245 | G242-G247 PolarHBondContact O-N 3.17Å; K243-G247 WeakPolarHBondContact O-CA 3.28Å; V245-G247 VanDerWaalsContact C-N 3.33Å |
| 248 | F | 88.3 | Confident | 89.4 | Confident | 80 Ų | 80 | 42.3 Ų | 42.3 | 35% | 0.351 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -84.9 | -31.4 | 179.2 | -69.3 | -61.6 | 0 | 0 | 0 | 113.3 | F24 I26 Y244 V245 | F24-F248 HydrophobicContact CB-CE1 4.14Å; F24-F248 HydrophobicContact CB-CZ 4.43Å; I26-F248 HydrophobicContact CD1-CD1 3.71Å; I26-F248 HydrophobicContact CD1-CE1 3.37Å; I26-F248 HydrophobicContact CD1-CZ 4.29Å; I26-F248 HydrophobicContact CG1-CE1 4.37Å; Y244-F248 AromaticContact CD1-CE2 4Å; Y244-F248 HydrophobicContact CD1-CE2 4Å; Y244-F248 VanDerWaalsContact O-CB 3.29Å; Y244-F248 WeakPolarHBondContact O-CB 3.5Å; Y244-F248 WeakPolarHBondContact O-CD2 3.43Å; Y244-F248 WeakPolarHBondContact O-CG 3.32Å; Y244-F248 PolarHBondContact O-N 3Å; Y244-F248 VanDerWaalsContact O-N 3.15Å; V245-F248 PolarHBondContact O-N 2.83Å |
| 249 | Y | 89.9 | Confident | 89.7 | Confident | 155 Ų | 155 | 43.4 Ų | 43.4 | 61% | 0.608 | 23% | 0.229 | S | C | * | . | trans | -131.9 | 61 | -173.9 | -52.6 | -78.4 | 0 | 0 | 0 | 111.7 | V245 N251 L252 C253 | V245-Y249 CarbonylContact O-C 3.55Å; V245-Y249 WeakPolarHBondContact O-CA 3.3Å; V245-Y249 WeakPolarHBondContact O-CB 3.49Å; V245-Y249 PolarHBondContact O-N 3.03Å; Y249-N251 PolarHBondContact O-N 2.95Å; Y249-L252 WeakPolarHBondContact O-CB 3.22Å; Y249-L252 PolarHBondContact O-N 2.82Å; Y249-C253 PolarHBondContact O-N 2.93Å | ||
| 250 | P | 90.2 | Very high | 90 | Very high | 28 Ų | 28 | 42.8 Ų | 42.8 | 18% | 0.182 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.5 | -36.6 | -176.1 | 21.8 | -32.9 | 0 | 0 | 0 | 112.7 | C246 L252 C253 M254 L270 L273 | C246-P250 WeakPolarHBondContact O-CA 2.97Å; C246-P250 WeakPolarHBondContact O-CB 3.39Å; C246-P250 WeakPolarHBondContact O-CD 3.44Å; P250-L252 VanDerWaalsContact C-N 3.27Å; P250-L252 PolarHBondContact O-N 2.89Å; P250-C253 PolarHBondContact O-N 2.91Å; P250-M254 PolarHBondContact O-N 2.88Å; P250-L270 HydrophobicContact CB-CB 4.19Å; P250-L273 HydrophobicContact CB-CD2 3.96Å; P250-L273 VanDerWaalsContact O-CD2 3.28Å; P250-L273 WeakPolarHBondContact O-CD2 3.41Å |
| 251 | N | 91 | Very high | 90.3 | Very high | 105 Ų | 105 | 42.6 Ų | 42.6 | 56% | 0.561 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -63.1 | -30.7 | 177.8 | -65.7 | -41.4 | 0 | 0 | 0 | 113.3 | Y249 S255 L270 | Y249-N251 PolarHBondContact O-N 2.95Å; N251-S255 WeakPolarHBondContact O-CB 3.44Å; N251-S255 PolarHBondContact O-N 2.79Å; N251-S255 PolarHBondContact O-OG 3.45Å; N251-L270 WeakPolarHBondContact OD1-CD1 3.35Å |
| 252 | L | 90.4 | Very high | 90.6 | Very high | 95 Ų | 95 | 41.7 Ų | 41.7 | 50% | 0.497 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -67.4 | -46.8 | 175 | 176.4 | 63.2 | 0 | 0 | 0 | 110.2 | V245 Y249 P250 S255 V256 | V245-L252 HydrophobicContact CG1-CD2 4.39Å; Y249-L252 WeakPolarHBondContact O-CB 3.22Å; Y249-L252 PolarHBondContact O-N 2.82Å; P250-L252 VanDerWaalsContact C-N 3.27Å; P250-L252 PolarHBondContact O-N 2.89Å; L252-S255 PolarHBondContact O-N 3.48Å; L252-V256 PolarHBondContact O-N 2.78Å |
| 253 | C | 91.4 | Very high | 90.8 | Very high | 14 Ų | 14 | 45.2 Ų | 45.2 | 10% | 0.095 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.3 | -40.9 | 177.1 | -63.7 | 0 | 0 | 0 | 0 | 111.7 | C246 Y249 P250 V256 I257 L273 | C246-C253 WeakPolarHBondContact CA-SG 3.11Å; C246-C253 HydrophobicContact CB-CB 3.79Å; C246-C253 WeakPolarHBondContact CB-SG 3.47Å; C246-C253 WeakPolarHBondContact SG-CB 3.42Å; C246-C253 CovalentContact SG-SG 2.03Å; C246-C253 PolarHBondContact SG-SG 3.41Å; Y249-C253 PolarHBondContact O-N 2.93Å; P250-C253 PolarHBondContact O-N 2.91Å; C253-V256 WeakPolarHBondContact O-CB 3.27Å; C253-V256 PolarHBondContact O-N 3.4Å; C253-I257 WeakPolarHBondContact O-CD1 3.15Å; C253-I257 WeakPolarHBondContact O-CG1 3.34Å; C253-I257 PolarHBondContact O-N 3.28Å; C253-L273 HydrophobicContact CB-CD2 3.88Å |
| 254 | M | 91.9 | Very high | 90.7 | Very high | 13 Ų | 13 | 43.5 Ų | 43.5 | 6% | 0.064 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.1 | -41.6 | 173.6 | -73.8 | -51.9 | -61.5 | 0 | 0 | 112.7 | P250 V256 I257 D258 T268 L270 L273 | P250-M254 PolarHBondContact O-N 2.88Å; M254-V256 PolarHBondContact O-N 2.93Å; M254-I257 CarbonylContact O-C 3.53Å; M254-I257 PolarHBondContact O-N 2.8Å; M254-I257 HydrophobicContact SD-CD1 3.97Å; M254-D258 WeakPolarHBondContact O-CB 3.23Å; M254-D258 PolarHBondContact O-N 2.64Å; M254-T268 HydrophobicContact CE-CG2 4.03Å; M254-T268 HydrophobicContact SD-CG2 3.96Å; M254-L270 HydrophobicContact CG-CD2 3.3Å; M254-L270 HydrophobicContact SD-CD2 3.99Å; M254-L273 HydrophobicContact CG-CD2 3.62Å; M254-L273 HydrophobicContact SD-CD1 3.71Å; M254-L273 HydrophobicContact SD-CD2 3.7Å; M254-L273 HydrophobicContact SD-CG 4.32Å |
| 255 | S | 91.6 | Very high | 90.1 | Very high | 75 Ų | 75 | 42.8 Ų | 42.8 | 52% | 0.524 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -58.3 | -37.3 | 177.3 | -60.4 | 0 | 0 | 0 | 0 | 111.7 | N251 L252 S259 | N251-S255 WeakPolarHBondContact O-CB 3.44Å; N251-S255 PolarHBondContact O-N 2.79Å; N251-S255 PolarHBondContact O-OG 3.45Å; L252-S255 PolarHBondContact O-N 3.48Å; S255-S259 PolarHBondContact O-N 3.36Å; S255-S259 VanDerWaalsContact O-N 3.11Å |
| 256 | V | 90.3 | Very high | 89.8 | Confident | 51 Ų | 51 | 51.3 Ų | 51.3 | 31% | 0.309 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -67.9 | -47 | 174.8 | 166.8 | 0 | 0 | 0 | 0 | 111.5 | F3 L252 C253 M254 S259 | F3-V256 HydrophobicContact CE1-CG1 4.44Å; F3-V256 HydrophobicContact CE2-CG1 3.6Å; F3-V256 HydrophobicContact CE2-CG2 4.29Å; F3-V256 HydrophobicContact CZ-CG1 3.24Å; L252-V256 PolarHBondContact O-N 2.78Å; C253-V256 WeakPolarHBondContact O-CB 3.27Å; C253-V256 PolarHBondContact O-N 3.4Å; M254-V256 PolarHBondContact O-N 2.93Å; V256-S259 PolarHBondContact O-N 2.82Å; V256-S259 PolarHBondContact O-OG 2.9Å |
| 257 | I | 91.9 | Very high | 89.7 | Confident | 18 Ų | 18 | 52.6 Ų | 52.6 | 9% | 0.092 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.4 | -46.6 | 176.6 | -72.2 | 159.1 | 0 | 0 | 0 | 110.8 | C253 M254 S259 I260 A261 L273 I277 L371 W375 | C253-I257 WeakPolarHBondContact O-CD1 3.15Å; C253-I257 WeakPolarHBondContact O-CG1 3.34Å; C253-I257 PolarHBondContact O-N 3.28Å; M254-I257 CarbonylContact O-C 3.53Å; M254-I257 PolarHBondContact O-N 2.8Å; M254-I257 HydrophobicContact SD-CD1 3.97Å; I257-S259 PolarHBondContact O-N 2.7Å; I257-I260 CarbonylContact O-C 3.54Å; I257-I260 WeakPolarHBondContact O-CA 3.15Å; I257-I260 WeakPolarHBondContact O-CB 3.44Å; I257-I260 PolarHBondContact O-N 3.14Å; I257-A261 HydrophobicContact CG2-CB 4.41Å; I257-A261 PolarHBondContact O-N 3.37Å; I257-L273 HydrophobicContact CD1-CD1 3.74Å; I257-I277 HydrophobicContact CD1-CD1 3.91Å; I257-L371 HydrophobicContact CG2-CD1 3.48Å; I257-L371 VanDerWaalsContact CG2-CD1 3.48Å; I257-W375 HydrophobicContact CD1-CH2 4.12Å; I257-W375 HydrophobicContact CD1-CZ3 3.72Å; I257-W375 HydrophobicContact CG1-CZ3 4.41Å; I257-W375 HydrophobicContact CG2-CZ3 4Å |
| 258 | D | 92.8 | Very high | 89.8 | Confident | 32 Ų | 32 | 52 Ų | 52 | 17% | 0.171 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.4 | -33.1 | -179.4 | -69 | -17.4 | 0 | 0 | 0 | 111.5 | M254 I260 G262 | M254-D258 WeakPolarHBondContact O-CB 3.23Å; M254-D258 PolarHBondContact O-N 2.64Å; D258-I260 PolarHBondContact O-N 3.34Å; D258-G262 WeakPolarHBondContact CA-O 3.31Å; D258-G262 CarbonylContact O-C 3.58Å; D258-G262 WeakPolarHBondContact O-CA 3.35Å; D258-G262 PolarHBondContact O-N 3.09Å |
| 259 | S | 92.9 | Very high | 89.8 | Confident | 37 Ų | 37 | 50.1 Ų | 50.1 | 26% | 0.259 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.3 | -23.5 | 174.2 | 80.5 | 0 | 0 | 0 | 0 | 113.2 | G207 I208 S255 V256 I257 | G207-S259 CarbonylContact C-O 3.5Å; G207-S259 WeakPolarHBondContact CA-O 3.28Å; I208-S259 VanDerWaalsContact CD1-OG 3.29Å; I208-S259 WeakPolarHBondContact CD1-OG 3.32Å; I208-S259 PolarHBondContact N-O 3.09Å; S255-S259 PolarHBondContact O-N 3.36Å; S255-S259 VanDerWaalsContact O-N 3.11Å; V256-S259 PolarHBondContact O-N 2.82Å; V256-S259 PolarHBondContact O-OG 2.9Å; I257-S259 PolarHBondContact O-N 2.7Å |
| 260 | I | 92.7 | Very high | 89.8 | Confident | 44 Ų | 44 | 45.4 Ų | 45.4 | 23% | 0.226 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -95.6 | -59.7 | 177.9 | -61 | 166.8 | 0 | 0 | 0 | 109.7 | I208 F209 I257 D258 H341 L342 | I208-I260 HydrophobicContact CD1-CD1 4.37Å; I208-I260 HydrophobicContact CD1-CG1 3.79Å; I208-I260 HydrophobicContact CG1-CG1 3.52Å; F209-I260 HydrophobicContact CB-CG2 4.43Å; F209-I260 HydrophobicContact CD2-CG2 4.37Å; I257-I260 CarbonylContact O-C 3.54Å; I257-I260 WeakPolarHBondContact O-CA 3.15Å; I257-I260 WeakPolarHBondContact O-CB 3.44Å; I257-I260 PolarHBondContact O-N 3.14Å; D258-I260 PolarHBondContact O-N 3.34Å; I260-H341 VanDerWaalsContact O-CB 3.28Å; I260-H341 WeakPolarHBondContact O-CB 3.27Å; I260-L342 HydrophobicContact CG2-CD1 4.48Å; I260-L342 WeakPolarHBondContact O-CD1 3.34Å |
| 261 | A | 94 | Very high | 89.7 | Confident | 4 Ų | 4 | 49.5 Ų | 49.5 | 3% | 0.033 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -84.9 | -21 | -169.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | I257 H341 N369 H370 L371 | I257-A261 HydrophobicContact CG2-CB 4.41Å; I257-A261 PolarHBondContact O-N 3.37Å; A261-H341 PolarHBondContact O-N 3.15Å; A261-N369 WeakPolarHBondContact O-CB 3.42Å; A261-H370 HydrophobicContact CB-CB 3.82Å; A261-H370 PolarHBondContact O-N 3.36Å; A261-L371 HydrophobicContact CB-CD1 3.91Å; A261-L371 HydrophobicContact CB-CG 3.9Å |
| 262 | G | 93.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 26% | 0.256 | C | S | . | . | trans | 97.7 | 167.5 | -165.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | D258 N339 H341 N369 | D258-G262 WeakPolarHBondContact CA-O 3.31Å; D258-G262 CarbonylContact O-C 3.58Å; D258-G262 WeakPolarHBondContact O-CA 3.35Å; D258-G262 PolarHBondContact O-N 3.09Å; G262-N339 WeakPolarHBondContact CA-O 3.32Å; G262-H341 PolarHBondContact N-ND1 2.91Å; G262-N369 VanDerWaalsContact C-CB 3.4Å; G262-N369 WeakPolarHBondContact O-CB 3.13Å; G262-N369 PolarHBondContact O-ND2 3.01Å | ||
| 263 | N | 91.7 | Very high | 89.7 | Confident | 74 Ų | 74 | 41 Ų | 41 | 40% | 0.396 | 23% | 0.232 | S | C | . | . | trans | -81 | 123.5 | -178.4 | -173 | -43.5 | 0 | 0 | 0 | 111.2 | G265 N339 | N263-G265 PolarHBondContact O-N 3.49Å; N263-G265 WeakPolarHBondContact OD1-CA 3.32Å; N263-G265 PolarHBondContact OD1-N 3.16Å; N263-N339 VanDerWaalsContact O-CB 3.31Å; N263-N339 WeakPolarHBondContact O-CB 3.34Å; N263-N339 PolarHBondContact O-ND2 2.79Å | ||
| 264 | D | 83.7 | Confident | 89.7 | Confident | 3 Ų | 3 | 41.2 Ų | 41.2 | 2% | 0.016 | 23% | 0.233 | C | C | . | . | trans | -81.3 | 15.4 | -179.9 | -165.7 | 28.4 | 0 | 0 | 0 | 114.3 | F266 N267 T268 N367 N369 S376 | D264-F266 PolarHBondContact O-N 2.94Å; D264-N267 WeakPolarHBondContact O-CB 3.48Å; D264-N267 VanDerWaalsContact O-CG 3.23Å; D264-N267 PolarHBondContact O-N 3.4Å; D264-N267 PolarHBondContact O-ND2 3.29Å; D264-N267 WeakPolarHBondContact OD2-CB 3.24Å; D264-T268 PolarHBondContact OD2-N 3.46Å; D264-T268 VanDerWaalsContact OD2-N 3.09Å; D264-T268 PolarHBondContact OD2-OG1 3.33Å; D264-N367 CarbonylContact C-O 3.55Å; D264-N369 HydrophobicContact CB-CB 4.36Å; D264-S376 VanDerWaalsContact CG-OG 3.31Å; D264-S376 PolarHBondContact OD1-OG 3.11Å; D264-S376 PolarHBondContact OD2-OG 3.32Å | ||
| 265 | G | 76.1 | Confident | 89.7 | Confident | 32 Ų | 32 | 40.7 Ų | 40.7 | 33% | 0.33 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 29.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | N263 N267 | N263-G265 PolarHBondContact O-N 3.49Å; N263-G265 WeakPolarHBondContact OD1-CA 3.32Å; N263-G265 PolarHBondContact OD1-N 3.16Å; G265-N267 VanDerWaalsContact C-N 3.31Å; G265-N267 PolarHBondContact O-N 2.71Å |
| 266 | F | 82.9 | Confident | 89.7 | Confident | 189 Ų | 189 | 37.4 Ų | 37.4 | 83% | 0.829 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66.7 | 18.8 | -174 | -48.9 | -82.6 | 0 | 0 | 0 | 115.7 | D264 T268 | D264-F266 PolarHBondContact O-N 2.94Å; F266-T268 VanDerWaalsContact C-N 3.34Å |
| 267 | N | 88.1 | Confident | 89.8 | Confident | 29 Ų | 29 | 35.8 Ų | 35.8 | 16% | 0.155 | 20% | 0.197 | C | C | . | . | trans | -77.4 | -17.2 | 179.4 | -58.7 | -55 | 0 | 0 | 0 | 113.8 | D264 G265 S376 T377 N378 | D264-N267 WeakPolarHBondContact O-CB 3.48Å; D264-N267 VanDerWaalsContact O-CG 3.23Å; D264-N267 PolarHBondContact O-N 3.4Å; D264-N267 PolarHBondContact O-ND2 3.29Å; D264-N267 WeakPolarHBondContact OD2-CB 3.24Å; G265-N267 VanDerWaalsContact C-N 3.31Å; G265-N267 PolarHBondContact O-N 2.71Å; N267-S376 WeakPolarHBondContact O-CA 3.38Å; N267-T377 PolarHBondContact O-N 3.05Å; N267-T377 PolarHBondContact O-OG1 3.1Å; N267-N378 PolarHBondContact OD1-ND2 2.67Å | ||
| 268 | T | 90.4 | Very high | 89.8 | Confident | 14 Ų | 14 | 35 Ų | 35 | 9% | 0.086 | 19% | 0.193 | C | C | . | . | B | Isolated β-bridge | trans | -75.6 | 132.5 | 179.6 | -66.4 | 0 | 0 | 0 | 0 | 111.5 | M254 D264 F266 L270 W375 | M254-T268 HydrophobicContact CE-CG2 4.03Å; M254-T268 HydrophobicContact SD-CG2 3.96Å; D264-T268 PolarHBondContact OD2-N 3.46Å; D264-T268 VanDerWaalsContact OD2-N 3.09Å; D264-T268 PolarHBondContact OD2-OG1 3.33Å; F266-T268 VanDerWaalsContact C-N 3.34Å; T268-L270 PolarHBondContact O-N 3.2Å; T268-W375 HydrophobicContact CG2-CB 4.45Å; T268-W375 HydrophobicContact CG2-CE3 4.28Å |
| 269 | N | 88.8 | Confident | 89.8 | Confident | 41 Ų | 41 | 33.9 Ų | 33.9 | 22% | 0.219 | 19% | 0.187 | C | C | . | . | trans | -72.4 | 98.8 | 175.5 | -172.7 | -1.4 | 0 | 0 | 0 | 111.8 | T271 R272 L273 T377 | N269-T271 PolarHBondContact ND2-OG1 2.99Å; N269-T271 PolarHBondContact O-N 3.27Å; N269-T271 VanDerWaalsContact O-N 3.14Å; N269-T271 PolarHBondContact OD1-N 3.49Å; N269-T271 VanDerWaalsContact OD1-N 3.15Å; N269-T271 PolarHBondContact OD1-OG1 2.89Å; N269-R272 HydrophobicContact CB-CB 4.42Å; N269-R272 HydrophobicContact CB-CG 4.45Å; N269-R272 PolarHBondContact O-N 2.9Å; N269-L273 PolarHBondContact O-N 3.4Å; N269-T377 HydrophobicContact CB-CG2 3.68Å | ||
| 270 | L | 89.9 | Confident | 89.7 | Confident | 55 Ų | 55 | 32.8 Ų | 32.8 | 29% | 0.288 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -23.1 | -178.4 | -58.3 | -171.2 | 0 | 0 | 0 | 114.1 | P250 N251 M254 T268 R272 L273 | P250-L270 HydrophobicContact CB-CB 4.19Å; N251-L270 WeakPolarHBondContact OD1-CD1 3.35Å; M254-L270 HydrophobicContact CG-CD2 3.3Å; M254-L270 HydrophobicContact SD-CD2 3.99Å; T268-L270 PolarHBondContact O-N 3.2Å; L270-R272 VanDerWaalsContact C-N 3.28Å; L270-R272 PolarHBondContact O-N 3.13Å; L270-L273 WeakPolarHBondContact O-CB 3.47Å; L270-L273 PolarHBondContact O-N 3.23Å |
| 271 | T | 88.2 | Confident | 89.8 | Confident | 115 Ų | 115 | 32.1 Ų | 32.1 | 71% | 0.706 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -22.4 | 177 | 68.6 | 0 | 0 | 0 | 0 | 112.5 | N269 | N269-T271 PolarHBondContact ND2-OG1 2.99Å; N269-T271 PolarHBondContact O-N 3.27Å; N269-T271 VanDerWaalsContact O-N 3.14Å; N269-T271 PolarHBondContact OD1-N 3.49Å; N269-T271 VanDerWaalsContact OD1-N 3.15Å; N269-T271 PolarHBondContact OD1-OG1 2.89Å |
| 272 | R | 89.6 | Confident | 89.9 | Confident | 19 Ų | 19 | 31.9 Ų | 31.9 | 7% | 0.072 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | -14.2 | 175.3 | -67.6 | -69.5 | -70.5 | -177.4 | -11 | 113.1 | D29 E31 M93 N269 L270 P274 L275 T276 | D29-R272 IonicContact OD2-CZ 3.37Å; D29-R272 IonicContact OD2-NH1 3.39Å; D29-R272 PolarHBondContact OD2-NH1 3.43Å; E31-R272 IonicContact OE2-CZ 3.97Å; E31-R272 VanDerWaalsContact OE2-CZ 3.29Å; E31-R272 IonicContact OE2-NH1 2.7Å; E31-R272 PolarHBondContact OE2-NH1 3.35Å; E31-R272 IonicContact OE2-NH2 3.88Å; E31-R272 PolarHBondContact OE2-NH2 3.39Å; M93-R272 VanDerWaalsContact O-CZ 3.24Å; M93-R272 PolarHBondContact O-NE 2.97Å; M93-R272 PolarHBondContact O-NH2 2.94Å; N269-R272 HydrophobicContact CB-CB 4.42Å; N269-R272 HydrophobicContact CB-CG 4.45Å; N269-R272 PolarHBondContact O-N 2.9Å; L270-R272 VanDerWaalsContact C-N 3.28Å; L270-R272 PolarHBondContact O-N 3.13Å; R272-P274 VanDerWaalsContact C-N 3.33Å; R272-L275 VanDerWaalsContact NH1-CD2 3.25Å; R272-L275 WeakPolarHBondContact O-CB 3.43Å; R272-L275 PolarHBondContact O-N 3.28Å; R272-T276 PolarHBondContact O-N 3.16Å; R272-T276 PolarHBondContact O-OG1 3.5Å |
| 273 | L | 91 | Very high | 89.9 | Confident | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -52 | -41.3 | 179.1 | -172.8 | 65.4 | 0 | 0 | 0 | 114.3 | C246 P250 C253 M254 I257 N269 L270 L275 T276 I277 W375 | C246-L273 HydrophobicContact CB-CG 4.46Å; P250-L273 HydrophobicContact CB-CD2 3.96Å; P250-L273 VanDerWaalsContact O-CD2 3.28Å; P250-L273 WeakPolarHBondContact O-CD2 3.41Å; C253-L273 HydrophobicContact CB-CD2 3.88Å; M254-L273 HydrophobicContact CG-CD2 3.62Å; M254-L273 HydrophobicContact SD-CD1 3.71Å; M254-L273 HydrophobicContact SD-CD2 3.7Å; M254-L273 HydrophobicContact SD-CG 4.32Å; I257-L273 HydrophobicContact CD1-CD1 3.74Å; N269-L273 PolarHBondContact O-N 3.4Å; L270-L273 WeakPolarHBondContact O-CB 3.47Å; L270-L273 PolarHBondContact O-N 3.23Å; L273-L275 VanDerWaalsContact C-N 3.25Å; L273-L275 PolarHBondContact O-N 2.82Å; L273-T276 PolarHBondContact O-N 3.5Å; L273-I277 HydrophobicContact CD1-CD1 4.32Å; L273-I277 HydrophobicContact CD1-CG1 3.97Å; L273-I277 HydrophobicContact CG-CG1 4.15Å; L273-I277 WeakPolarHBondContact O-CG1 3.31Å; L273-I277 PolarHBondContact O-N 2.64Å; L273-W375 HydrophobicContact CD1-CZ3 4.45Å |
| 274 | P | 91.1 | Very high | 90.2 | Very high | 19 Ų | 19 | 28.7 Ų | 28.7 | 12% | 0.123 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -56.5 | -40.7 | 176.4 | -28.4 | 39.1 | 0 | 0 | 0 | 113 | I32 G242 R272 A278 | I32-P274 HydrophobicContact CD1-CB 4.44Å; G242-P274 VanDerWaalsContact CA-O 3.3Å; G242-P274 WeakPolarHBondContact CA-O 3.32Å; G242-P274 WeakPolarHBondContact O-CA 3.41Å; G242-P274 VanDerWaalsContact O-CB 3.29Å; G242-P274 WeakPolarHBondContact O-CB 3.48Å; R272-P274 VanDerWaalsContact C-N 3.33Å; P274-A278 WeakPolarHBondContact O-CB 3.49Å; P274-A278 PolarHBondContact O-N 3.35Å; P274-A278 VanDerWaalsContact O-N 3.15Å |
| 275 | L | 91.5 | Very high | 90.8 | Very high | 2 Ų | 2 | 28.6 Ų | 28.6 | 1% | 0.01 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -70.2 | -46.1 | 177.1 | 174.9 | 69.7 | 0 | 0 | 0 | 111.1 | E31 I32 M93 R272 L273 I277 A278 H279 | E31-L275 HydrophobicContact CB-CD1 3.58Å; E31-L275 HydrophobicContact CB-CD2 3.92Å; E31-L275 HydrophobicContact CB-CG 4.4Å; E31-L275 WeakPolarHBondContact O-CD1 3.39Å; E31-L275 WeakPolarHBondContact OE2-CD2 3.3Å; I32-L275 HydrophobicContact CB-CD1 4.37Å; I32-L275 HydrophobicContact CG1-CB 4.25Å; I32-L275 HydrophobicContact CG1-CD1 3.83Å; I32-L275 VanDerWaalsContact N-CD1 3.26Å; M93-L275 HydrophobicContact CE-CB 4.48Å; M93-L275 HydrophobicContact CE-CD1 3.94Å; M93-L275 HydrophobicContact CE-CD2 3.54Å; M93-L275 HydrophobicContact CE-CG 3.33Å; R272-L275 VanDerWaalsContact NH1-CD2 3.25Å; R272-L275 WeakPolarHBondContact O-CB 3.43Å; R272-L275 PolarHBondContact O-N 3.28Å; L273-L275 VanDerWaalsContact C-N 3.25Å; L273-L275 PolarHBondContact O-N 2.82Å; L275-I277 VanDerWaalsContact C-N 3.3Å; L275-I277 PolarHBondContact O-N 2.76Å; L275-A278 WeakPolarHBondContact O-CB 3.41Å; L275-A278 PolarHBondContact O-N 3.11Å; L275-A278 VanDerWaalsContact O-N 3.1Å; L275-H279 PolarHBondContact O-CD2 2.92Å; L275-H279 PolarHBondContact O-N 3Å |
| 276 | T | 91.9 | Very high | 91.7 | Very high | 6 Ų | 6 | 27.6 Ų | 27.6 | 4% | 0.037 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -56.9 | -45.2 | 177.8 | -59.3 | 0 | 0 | 0 | 0 | 111.4 | R272 L273 A278 H279 S280 W375 | R272-T276 PolarHBondContact O-N 3.16Å; R272-T276 PolarHBondContact O-OG1 3.5Å; L273-T276 PolarHBondContact O-N 3.5Å; T276-A278 VanDerWaalsContact C-N 3.29Å; T276-A278 PolarHBondContact O-N 3.02Å; T276-H279 PolarHBondContact O-N 3.07Å; T276-S280 PolarHBondContact O-N 3.37Å; T276-W375 HydrophobicContact CG2-CD2 4.19Å; T276-W375 VanDerWaalsContact CG2-CE2 3.42Å; T276-W375 HydrophobicContact CG2-CH2 3.61Å; T276-W375 HydrophobicContact CG2-CZ2 3.14Å; T276-W375 HydrophobicContact CG2-CZ3 4.29Å |
| 277 | I | 92 | Very high | 92.4 | Very high | 18 Ų | 18 | 19.5 Ų | 19.5 | 9% | 0.092 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -69.8 | -25.6 | 178.6 | -63.5 | -61 | 0 | 0 | 0 | 112.7 | L241 C246 I257 L273 L275 H279 S280 | L241-I277 HydrophobicContact CB-CG2 4.39Å; L241-I277 HydrophobicContact CD2-CG2 3.84Å; L241-I277 HydrophobicContact CG-CG2 4.02Å; C246-I277 HydrophobicContact CB-CG1 4.33Å; I257-I277 HydrophobicContact CD1-CD1 3.91Å; L273-I277 HydrophobicContact CD1-CD1 4.32Å; L273-I277 HydrophobicContact CD1-CG1 3.97Å; L273-I277 HydrophobicContact CG-CG1 4.15Å; L273-I277 WeakPolarHBondContact O-CG1 3.31Å; L273-I277 PolarHBondContact O-N 2.64Å; L275-I277 VanDerWaalsContact C-N 3.3Å; L275-I277 PolarHBondContact O-N 2.76Å; I277-H279 PolarHBondContact O-N 2.88Å; I277-S280 CarbonylContact C-O 3.4Å; I277-S280 WeakPolarHBondContact CA-O 3.33Å |
| 278 | A | 92.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -70.3 | -15.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | I32 S234 K239 P274 L275 T276 | I32-A278 HydrophobicContact CB-CB 4.31Å; I32-A278 HydrophobicContact CG1-CB 4.15Å; I32-A278 HydrophobicContact CG2-CB 3.83Å; S234-A278 PolarHBondContact OG-O 2.69Å; K239-A278 HydrophobicContact CG-CB 4.41Å; P274-A278 WeakPolarHBondContact O-CB 3.49Å; P274-A278 PolarHBondContact O-N 3.35Å; P274-A278 VanDerWaalsContact O-N 3.15Å; L275-A278 WeakPolarHBondContact O-CB 3.41Å; L275-A278 PolarHBondContact O-N 3.11Å; L275-A278 VanDerWaalsContact O-N 3.1Å; T276-A278 VanDerWaalsContact C-N 3.29Å; T276-A278 PolarHBondContact O-N 3.02Å |
| 279 | H | 93.7 | Very high | 93.1 | Very high | 9 Ų | 9 | 17.6 Ų | 17.6 | 4% | 0.042 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -121.6 | -17.1 | -175.1 | -72.2 | -61.3 | 0 | 0 | 0 | 114.8 | E31 M34 H89 M93 S234 L275 T276 I277 | E31-H279 PolarHBondContact O-NE2 3.4Å; M34-H279 PolarHBondContact O-CE1 2.79Å; H89-H279 HydrophobicContact CB-CB 4.39Å; H89-H279 AromaticContact CE1-CE1 3.82Å; H89-H279 AromaticContact CE1-CG 3.57Å; H89-H279 AromaticContact CE1-ND1 3.12Å; H89-H279 PolarHBondContact CE1-ND1 3.27Å; H89-H279 AromaticContact ND1-CG 3.91Å; H89-H279 AromaticContact ND1-ND1 3.86Å; H89-H279 AromaticContact NE2-CE1 3.75Å; H89-H279 AromaticContact NE2-CG 3.79Å; H89-H279 AromaticContact NE2-ND1 3.47Å; H89-H279 PolarHBondContact NE2-ND1 2.87Å; M93-H279 HydrophobicContact CE-CB 4.18Å; M93-H279 VanDerWaalsContact CE-CD2 3.49Å; M93-H279 WeakPolarHBondContact CE-CD2 3.25Å; S234-H279 VanDerWaalsContact OG-CA 3.3Å; S234-H279 WeakPolarHBondContact OG-CA 3.36Å; L275-H279 PolarHBondContact O-CD2 2.92Å; L275-H279 PolarHBondContact O-N 3Å; T276-H279 PolarHBondContact O-N 3.07Å; I277-H279 PolarHBondContact O-N 2.88Å |
| 280 | S | 90.8 | Very high | 93.4 | Very high | 14 Ų | 14 | 15.8 Ų | 15.8 | 10% | 0.098 | 9% | 0.09 | C | C | . | . | trans | -133.2 | 134.2 | 174.3 | -66.3 | 0 | 0 | 0 | 0 | 110 | D86 T276 I277 | D86-S280 PolarHBondContact OD1-OG 3.42Å; T276-S280 PolarHBondContact O-N 3.37Å; I277-S280 CarbonylContact C-O 3.4Å; I277-S280 WeakPolarHBondContact CA-O 3.33Å | ||
| 281 | P | 94.2 | Very high | 93.8 | Very high | 30 Ų | 30 | 13.1 Ų | 13.1 | 20% | 0.195 | 8% | 0.077 | C | C | . | . | S | Bend | cis | -74 | 149.6 | 8.5 | 31.5 | -36.3 | 0 | 0 | 0 | 113.6 | L85 L232 P233 S234 M238 | L85-P281 HydrophobicContact CB-CB 4.02Å; L85-P281 HydrophobicContact CD2-CB 4.28Å; L85-P281 CarbonylContact O-C 3.57Å; L85-P281 WeakPolarHBondContact O-CA 3.5Å; L232-P281 HydrophobicContact CB-CB 3.97Å; L232-P281 HydrophobicContact CB-CG 3.67Å; L232-P281 HydrophobicContact CG-CG 4.5Å; L232-P281 CarbonylContact O-C 3.58Å; L232-P281 WeakPolarHBondContact O-CB 3.12Å; P233-P281 CarbonylContact C-O 3.58Å; S234-P281 VanDerWaalsContact CA-O 3.31Å; S234-P281 WeakPolarHBondContact CA-O 3.35Å; S234-P281 VanDerWaalsContact CB-O 3.3Å; S234-P281 WeakPolarHBondContact CB-O 3.49Å; S234-P281 PolarHBondContact N-O 3.41Å; S234-P281 VanDerWaalsContact N-O 3.1Å; M238-P281 HydrophobicContact SD-CG 4.22Å |
| 282 | A | 95.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 7.8 Ų | 7.8 | 0% | 0 | 4% | 0.044 | C | C | . | . | trans | -106.3 | 2.3 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | L85 N119 T120 | L85-A282 PolarHBondContact O-N 2.99Å; N119-A282 CarbonylContact C-O 3.58Å; N119-A282 VanDerWaalsContact CA-O 3.28Å; N119-A282 WeakPolarHBondContact CA-O 3.44Å; N119-A282 HydrophobicContact CB-CB 4.41Å; T120-A282 PolarHBondContact N-O 2.55Å; T120-A282 PolarHBondContact OG1-O 3.02Å | ||
| 283 | G | 95.5 | Very high | 94.5 | Very high | 4 Ų | 4 | 6.9 Ų | 6.9 | 4% | 0.041 | 4% | 0.04 | C | C | . | . | trans | 104.1 | 140.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | V231 L232 | V231-G283 WeakPolarHBondContact O-CA 3.49Å; L232-G283 PolarHBondContact O-N 3.3Å; L232-G283 VanDerWaalsContact O-N 3.12Å | ||
| 284 | T | 97.3 | Very high | 94.8 | Very high | 3 Ų | 3 | 8.6 Ų | 8.6 | 2% | 0.018 | 5% | 0.048 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 178.7 | 167.1 | -158.5 | 0 | 0 | 0 | 0 | 109.9 | L84 L85 V231 N288 L289 | L84-T284 HydrophobicContact CD1-CG2 4.08Å; L85-T284 HydrophobicContact CD2-CG2 3.45Å; L85-T284 VanDerWaalsContact CD2-CG2 3.45Å; L85-T284 HydrophobicContact CG-CG2 3.83Å; V231-T284 HydrophobicContact CB-CG2 4.2Å; V231-T284 PolarHBondContact N-O 2.95Å; V231-T284 PolarHBondContact O-N 3.35Å; V231-T284 VanDerWaalsContact O-N 3.11Å; T284-N288 PolarHBondContact OG1-ND2 2.57Å; T284-L289 HydrophobicContact CG2-CD2 4.31Å; T284-L289 HydrophobicContact CG2-CG 4.11Å |
| 285 | S | 96.9 | Very high | 95 | Very high | 0 Ų | 0 | 7.7 Ų | 7.7 | 0% | 0 | 4% | 0.043 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 153.9 | 174.6 | 66.3 | 0 | 0 | 0 | 0 | 112.7 | W136 F138 G229 K287 N288 L289 | W136-S285 WeakPolarHBondContact O-CB 3.28Å; F138-S285 PolarHBondContact O-OG 3.09Å; G229-S285 WeakPolarHBondContact O-CA 3.18Å; S285-K287 VanDerWaalsContact C-N 3.25Å; S285-K287 PolarHBondContact O-N 2.87Å; S285-N288 WeakPolarHBondContact O-CB 3.36Å; S285-N288 PolarHBondContact O-N 2.79Å; S285-N288 VanDerWaalsContact OG-CB 3.29Å; S285-N288 WeakPolarHBondContact OG-CB 3.45Å; S285-N288 PolarHBondContact OG-N 2.81Å; S285-L289 PolarHBondContact O-N 3.03Å |
| 286 | I | 95 | Very high | 95.2 | Very high | 12 Ų | 12 | 8.2 Ų | 8.2 | 6% | 0.062 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -57.2 | -42.2 | 168.6 | -69.3 | 177 | 0 | 0 | 0 | 111 | Y216 Q220 L223 G229 V231 N288 L289 V290 | Y216-I286 HydrophobicContact CD1-CG1 4.25Å; Y216-I286 HydrophobicContact CD1-CG2 4.44Å; Y216-I286 HydrophobicContact CE1-CG1 4.45Å; Q220-I286 HydrophobicContact CB-CG2 3.75Å; L223-I286 HydrophobicContact CB-CD1 3.77Å; G229-I286 PolarHBondContact O-N 2.97Å; V231-I286 HydrophobicContact CG2-CB 4.27Å; V231-I286 HydrophobicContact CG2-CG1 3.36Å; I286-N288 PolarHBondContact O-N 2.9Å; I286-L289 PolarHBondContact O-N 3.04Å; I286-L289 VanDerWaalsContact O-N 3.09Å; I286-V290 HydrophobicContact CG2-CG2 4.05Å; I286-V290 WeakPolarHBondContact O-CG2 3.39Å; I286-V290 PolarHBondContact O-N 3.11Å |
| 287 | K | 96.3 | Very high | 95.3 | Very high | 19 Ų | 19 | 12.2 Ų | 12.2 | 8% | 0.083 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -58.1 | -36.6 | 179.2 | 179 | 176.6 | 178.8 | -179.4 | 0 | 111.7 | D137 F138 S285 V290 H291 F304 Y306 | D137-K287 PolarHBondContact O-NZ 3.25Å; D137-K287 WeakPolarHBondContact OD1-CD 3.49Å; D137-K287 WeakPolarHBondContact OD1-CE 3.31Å; D137-K287 IonicContact OD1-NZ 2.75Å; D137-K287 PolarHBondContact OD1-NZ 2.86Å; D137-K287 IonicContact OD2-NZ 2.64Å; F138-K287 WeakPolarHBondContact O-CB 3.37Å; S285-K287 VanDerWaalsContact C-N 3.25Å; S285-K287 PolarHBondContact O-N 2.87Å; K287-V290 PolarHBondContact O-N 3.24Å; K287-H291 WeakPolarHBondContact O-CB 3.29Å; K287-H291 PolarHBondContact O-N 2.85Å; K287-F304 HydrophobicContact CG-CD2 3.91Å; K287-F304 HydrophobicContact CG-CE1 4.48Å; K287-F304 HydrophobicContact CG-CE2 3.59Å; K287-F304 HydrophobicContact CG-CG 4.49Å; K287-F304 HydrophobicContact CG-CZ 3.91Å; K287-F304 WeakPolarHBondContact O-CE2 3.4Å; K287-Y306 VanDerWaalsContact CE-OH 3.29Å; K287-Y306 WeakPolarHBondContact CE-OH 3.4Å; K287-Y306 PolarHBondContact NZ-OH 2.87Å |
| 288 | N | 97.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -63.3 | -45.4 | 175.2 | -163.8 | 33.1 | 0 | 0 | 0 | 112.2 | L84 W140 Q171 T284 S285 I286 H291 F292 | L84-N288 WeakPolarHBondContact CD1-ND2 2.94Å; W140-N288 PolarHBondContact N-OD1 3.01Å; Q171-N288 PolarHBondContact OE1-ND2 2.98Å; T284-N288 PolarHBondContact OG1-ND2 2.57Å; S285-N288 WeakPolarHBondContact O-CB 3.36Å; S285-N288 PolarHBondContact O-N 2.79Å; S285-N288 VanDerWaalsContact OG-CB 3.29Å; S285-N288 WeakPolarHBondContact OG-CB 3.45Å; S285-N288 PolarHBondContact OG-N 2.81Å; I286-N288 PolarHBondContact O-N 2.9Å; N288-H291 VanDerWaalsContact O-CB 3.32Å; N288-H291 WeakPolarHBondContact O-CB 3.21Å; N288-H291 PolarHBondContact O-N 3.08Å; N288-H291 VanDerWaalsContact O-N 3.17Å; N288-F292 VanDerWaalsContact O-CD2 3.26Å; N288-F292 WeakPolarHBondContact O-CD2 3.24Å; N288-F292 PolarHBondContact O-N 3.24Å; N288-F292 VanDerWaalsContact O-N 3.08Å |
| 289 | L | 96.1 | Very high | 95.5 | Very high | 2 Ų | 2 | 18.9 Ų | 18.9 | 1% | 0.01 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -67.2 | -38 | 177.2 | -65.1 | -176.1 | 0 | 0 | 0 | 112.9 | L84 Y216 V231 T284 S285 I286 H291 F292 S293 | L84-L289 HydrophobicContact CD1-CD2 3.86Å; L84-L289 HydrophobicContact CD2-CD2 3.79Å; L84-L289 HydrophobicContact CG-CD2 4.29Å; Y216-L289 HydrophobicContact CD1-CD1 4.02Å; Y216-L289 HydrophobicContact CD2-CB 4.24Å; Y216-L289 HydrophobicContact CD2-CD1 3.45Å; Y216-L289 VanDerWaalsContact CD2-CD1 3.45Å; Y216-L289 HydrophobicContact CD2-CG 4.49Å; Y216-L289 HydrophobicContact CE1-CD1 3.96Å; Y216-L289 HydrophobicContact CE2-CD1 3.41Å; Y216-L289 VanDerWaalsContact CE2-CD1 3.41Å; Y216-L289 HydrophobicContact CG-CB 4.1Å; Y216-L289 HydrophobicContact CG-CD1 3.79Å; V231-L289 HydrophobicContact CB-CD1 4.25Å; V231-L289 HydrophobicContact CG1-CD1 3.65Å; V231-L289 HydrophobicContact CG2-CD1 4.23Å; T284-L289 HydrophobicContact CG2-CD2 4.31Å; T284-L289 HydrophobicContact CG2-CG 4.11Å; S285-L289 PolarHBondContact O-N 3.03Å; I286-L289 PolarHBondContact O-N 3.04Å; I286-L289 VanDerWaalsContact O-N 3.09Å; L289-H291 VanDerWaalsContact C-N 3.26Å; L289-H291 PolarHBondContact O-N 3.49Å; L289-F292 PolarHBondContact O-N 3.4Å; L289-S293 PolarHBondContact O-N 2.68Å |
| 290 | V | 95.8 | Very high | 95.6 | Very high | 3 Ų | 3 | 22.2 Ų | 22.2 | 2% | 0.018 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.6 | -40 | 171.5 | 172 | 0 | 0 | 0 | 0 | 110.2 | V217 Q220 I286 K287 F292 S293 Q294 F304 | V217-V290 HydrophobicContact CG2-CG1 4.27Å; V217-V290 HydrophobicContact CG2-CG2 4.38Å; Q220-V290 HydrophobicContact CB-CG2 4.33Å; I286-V290 HydrophobicContact CG2-CG2 4.05Å; I286-V290 WeakPolarHBondContact O-CG2 3.39Å; I286-V290 PolarHBondContact O-N 3.11Å; K287-V290 PolarHBondContact O-N 3.24Å; V290-F292 PolarHBondContact O-N 3.3Å; V290-S293 VanDerWaalsContact O-CB 3.31Å; V290-S293 WeakPolarHBondContact O-CB 3.35Å; V290-S293 PolarHBondContact O-N 2.94Å; V290-Q294 HydrophobicContact CG1-CG 4.49Å; V290-Q294 WeakPolarHBondContact O-CG 3.2Å; V290-Q294 PolarHBondContact O-N 2.75Å; V290-F304 HydrophobicContact CB-CE2 4.08Å; V290-F304 HydrophobicContact CB-CZ 4.43Å; V290-F304 HydrophobicContact CG1-CE2 3.73Å; V290-F304 HydrophobicContact CG1-CZ 3.79Å |
| 291 | H | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62.4 | -43.8 | 177.1 | -155 | 169.2 | 0 | 0 | 0 | 112 | S139 W140 K287 N288 L289 S293 Q294 M295 Q302 K303 F304 | S139-H291 WeakPolarHBondContact CB-ND1 3.12Å; S139-H291 PolarHBondContact OG-ND1 2.91Å; W140-H291 AromaticContact CD1-ND1 3.82Å; W140-H291 AromaticContact CE2-CE1 3.33Å; W140-H291 AromaticContact CE2-CG 3.97Å; W140-H291 AromaticContact CE2-ND1 3.46Å; W140-H291 AromaticContact CE2-NE2 3.79Å; W140-H291 AromaticContact CH2-CE1 3.92Å; W140-H291 AromaticContact CZ2-CE1 3.17Å; W140-H291 WeakPolarHBondContact CZ2-CE1 3.27Å; W140-H291 AromaticContact CZ2-ND1 3.81Å; W140-H291 AromaticContact CZ2-NE2 3.36Å; W140-H291 WeakPolarHBondContact CZ2-NE2 3.45Å; W140-H291 AromaticContact NE1-CD2 3.78Å; W140-H291 AromaticContact NE1-CE1 3.55Å; W140-H291 AromaticContact NE1-CG 3.35Å; W140-H291 VanDerWaalsContact NE1-CG 3.35Å; W140-H291 AromaticContact NE1-ND1 3.21Å; W140-H291 PolarHBondContact NE1-ND1 2.91Å; W140-H291 AromaticContact NE1-NE2 3.89Å; K287-H291 WeakPolarHBondContact O-CB 3.29Å; K287-H291 PolarHBondContact O-N 2.85Å; N288-H291 VanDerWaalsContact O-CB 3.32Å; N288-H291 WeakPolarHBondContact O-CB 3.21Å; N288-H291 PolarHBondContact O-N 3.08Å; N288-H291 VanDerWaalsContact O-N 3.17Å; L289-H291 VanDerWaalsContact C-N 3.26Å; L289-H291 PolarHBondContact O-N 3.49Å; H291-S293 VanDerWaalsContact C-N 3.31Å; H291-S293 PolarHBondContact O-N 3.22Å; H291-Q294 WeakPolarHBondContact O-CB 3.09Å; H291-Q294 PolarHBondContact O-N 2.95Å; H291-M295 VanDerWaalsContact O-CG 3.31Å; H291-M295 WeakPolarHBondContact O-CG 3.48Å; H291-M295 PolarHBondContact O-N 3.11Å; H291-Q302 PolarHBondContact NE2-O 3.27Å; H291-K303 VanDerWaalsContact NE2-C 3.31Å; H291-F304 HydrophobicContact CB-CD2 3.7Å; H291-F304 HydrophobicContact CB-CE2 4.17Å; H291-F304 PolarHBondContact CE1-N 2.88Å; H291-F304 VanDerWaalsContact CE1-N 3.26Å; H291-F304 AromaticContact CG-CD2 3.69Å; H291-F304 AromaticContact ND1-CD2 3.99Å; H291-F304 WeakPolarHBondContact NE2-CA 3.33Å; H291-F304 PolarHBondContact NE2-N 2.88Å |
| 292 | F | 97.1 | Very high | 96 | Very high | 3 Ų | 3 | 21 Ų | 21 | 1% | 0.013 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59.7 | -41.6 | 173.5 | -82.6 | -76.3 | 0 | 0 | 0 | 112.4 | L84 W140 Q171 L174 V199 F202 F209 V213 N288 L289 V290 Q294 M295 I296 | L84-F292 HydrophobicContact CB-CE2 4.48Å; L84-F292 HydrophobicContact CD1-CD2 4.29Å; L84-F292 HydrophobicContact CD1-CE2 3.87Å; L84-F292 HydrophobicContact CD2-CD2 4.06Å; L84-F292 HydrophobicContact CD2-CE2 4.02Å; L84-F292 HydrophobicContact CD2-CZ 4.49Å; L84-F292 HydrophobicContact CG-CE2 4.35Å; W140-F292 AromaticContact CD1-CE2 3.96Å; Q171-F292 HydrophobicContact CB-CZ 4.14Å; Q171-F292 HydrophobicContact CG-CE2 4.43Å; Q171-F292 HydrophobicContact CG-CZ 3.92Å; L174-F292 HydrophobicContact CD2-CE1 4.23Å; L174-F292 HydrophobicContact CD2-CZ 4.21Å; V199-F292 HydrophobicContact CG2-CE1 4.05Å; F202-F292 AromaticContact CE2-CD1 3.88Å; F202-F292 HydrophobicContact CE2-CD1 3.88Å; F202-F292 HydrophobicContact CE2-CE1 4.31Å; F202-F292 AromaticContact CZ-CD1 3.59Å; F202-F292 HydrophobicContact CZ-CD1 3.59Å; F202-F292 AromaticContact CZ-CE1 3.82Å; F202-F292 HydrophobicContact CZ-CE1 3.82Å; F209-F292 HydrophobicContact CZ-CB 4.46Å; F209-F292 HydrophobicContact CZ-CG 4.47Å; V213-F292 HydrophobicContact CG1-CB 4.28Å; N288-F292 VanDerWaalsContact O-CD2 3.26Å; N288-F292 WeakPolarHBondContact O-CD2 3.24Å; N288-F292 PolarHBondContact O-N 3.24Å; N288-F292 VanDerWaalsContact O-N 3.08Å; L289-F292 PolarHBondContact O-N 3.4Å; V290-F292 PolarHBondContact O-N 3.3Å; F292-Q294 PolarHBondContact O-N 2.82Å; F292-M295 PolarHBondContact O-N 2.79Å; F292-I296 WeakPolarHBondContact O-CG1 3.26Å; F292-I296 PolarHBondContact O-N 3.24Å |
| 293 | S | 95.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -58.3 | -47.8 | 174.3 | -167.6 | 0 | 0 | 0 | 0 | 111.7 | H214 V217 L289 V290 H291 M295 I296 D297 | H214-S293 PolarHBondContact CD2-OG 3.13Å; V217-S293 WeakPolarHBondContact CG2-OG 3.41Å; L289-S293 PolarHBondContact O-N 2.68Å; V290-S293 VanDerWaalsContact O-CB 3.31Å; V290-S293 WeakPolarHBondContact O-CB 3.35Å; V290-S293 PolarHBondContact O-N 2.94Å; H291-S293 VanDerWaalsContact C-N 3.31Å; H291-S293 PolarHBondContact O-N 3.22Å; S293-M295 VanDerWaalsContact C-N 3.29Å; S293-M295 PolarHBondContact O-N 2.87Å; S293-I296 PolarHBondContact O-N 3.08Å; S293-D297 WeakPolarHBondContact O-CB 3.37Å; S293-D297 VanDerWaalsContact O-CG 3.3Å; S293-D297 PolarHBondContact O-N 3.43Å; S293-D297 PolarHBondContact OG-OD2 3.1Å |
| 294 | Q | 96.2 | Very high | 96.3 | Very high | 36 Ų | 36 | 24.3 Ų | 24.3 | 17% | 0.168 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -58.1 | -41.3 | 178.6 | -71.1 | 171.9 | -12.5 | 0 | 0 | 111.9 | V290 H291 F292 D297 S298 D305 | V290-Q294 HydrophobicContact CG1-CG 4.49Å; V290-Q294 WeakPolarHBondContact O-CG 3.2Å; V290-Q294 PolarHBondContact O-N 2.75Å; H291-Q294 WeakPolarHBondContact O-CB 3.09Å; H291-Q294 PolarHBondContact O-N 2.95Å; F292-Q294 PolarHBondContact O-N 2.82Å; Q294-D297 PolarHBondContact O-N 2.95Å; Q294-S298 VanDerWaalsContact O-CB 3.29Å; Q294-S298 WeakPolarHBondContact O-CB 3.35Å; Q294-S298 PolarHBondContact O-N 3.4Å; Q294-S298 PolarHBondContact O-OG 3.06Å; Q294-D305 PolarHBondContact NE2-O 3.2Å |
| 295 | M | 96.3 | Very high | 96.3 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -68.3 | -37.4 | 178.6 | -65.4 | 168.1 | 70.8 | 0 | 0 | 112.8 | W140 L174 G200 F202 H291 F292 S293 H299 L301 | W140-M295 HydrophobicContact CZ2-CE 4.06Å; W140-M295 HydrophobicContact CZ2-SD 3.55Å; W140-M295 VanDerWaalsContact CZ2-SD 3.55Å; W140-M295 PolarHBondContact NE1-SD 2.73Å; L174-M295 HydrophobicContact CD1-CE 4.37Å; L174-M295 HydrophobicContact CD2-CE 4.14Å; G200-M295 WeakPolarHBondContact O-CE 3.23Å; F202-M295 HydrophobicContact CD2-CB 3.97Å; F202-M295 HydrophobicContact CE2-CB 4.05Å; F202-M295 HydrophobicContact CE2-CE 3.95Å; F202-M295 HydrophobicContact CE2-SD 4.41Å; H291-M295 VanDerWaalsContact O-CG 3.31Å; H291-M295 WeakPolarHBondContact O-CG 3.48Å; H291-M295 PolarHBondContact O-N 3.11Å; F292-M295 PolarHBondContact O-N 2.79Å; S293-M295 VanDerWaalsContact C-N 3.29Å; S293-M295 PolarHBondContact O-N 2.87Å; M295-H299 WeakPolarHBondContact O-CA 3.47Å; M295-H299 PolarHBondContact O-N 2.9Å; M295-L301 HydrophobicContact CE-CD1 3.56Å |
| 296 | I | 94.8 | Very high | 96.3 | Very high | 12 Ų | 12 | 29.9 Ų | 29.9 | 6% | 0.062 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -68.8 | -42 | 176.8 | -63.9 | 162.3 | 0 | 0 | 0 | 110.3 | F202 F209 L210 V213 F292 S293 H299 | F202-I296 HydrophobicContact CB-CB 4.43Å; F202-I296 HydrophobicContact CB-CG1 3.82Å; F202-I296 HydrophobicContact CD1-CG1 4.1Å; F202-I296 HydrophobicContact CD2-CG1 3.69Å; F202-I296 HydrophobicContact CE2-CG1 4.26Å; F202-I296 HydrophobicContact CG-CG1 3.6Å; F209-I296 HydrophobicContact CD1-CD1 4.18Å; F209-I296 HydrophobicContact CE1-CD1 3.98Å; L210-I296 HydrophobicContact CD1-CB 4.19Å; L210-I296 HydrophobicContact CD1-CD1 4.16Å; L210-I296 HydrophobicContact CD1-CG2 3.51Å; L210-I296 HydrophobicContact CD2-CG2 4.47Å; V213-I296 HydrophobicContact CG2-CD1 3.97Å; F292-I296 WeakPolarHBondContact O-CG1 3.26Å; F292-I296 PolarHBondContact O-N 3.24Å; S293-I296 PolarHBondContact O-N 3.08Å; I296-H299 PolarHBondContact O-CE1 3.41Å; I296-H299 PolarHBondContact O-ND1 3.39Å |
| 297 | D | 93.9 | Very high | 96.3 | Very high | 90 Ų | 90 | 30.9 Ų | 30.9 | 48% | 0.481 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -71.5 | -38.8 | -178.7 | -68.4 | -28.8 | 0 | 0 | 0 | 112.8 | H214 S293 Q294 | H214-D297 IonicContact CD2-OD1 2.89Å; H214-D297 IonicContact CD2-OD2 3.94Å; H214-D297 IonicContact CE1-OD1 3.67Å; H214-D297 IonicContact NE2-OD1 2.83Å; H214-D297 PolarHBondContact NE2-OD1 3.25Å; H214-D297 IonicContact NE2-OD2 3.87Å; H214-D297 PolarHBondContact NE2-OD2 2.83Å; S293-D297 WeakPolarHBondContact O-CB 3.37Å; S293-D297 VanDerWaalsContact O-CG 3.3Å; S293-D297 PolarHBondContact O-N 3.43Å; S293-D297 PolarHBondContact OG-OD2 3.1Å; Q294-D297 PolarHBondContact O-N 2.95Å |
| 298 | S | 94.3 | Very high | 96.2 | Very high | 39 Ų | 39 | 35.9 Ų | 35.9 | 27% | 0.273 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -83.7 | -18.3 | -179.8 | 72.4 | 0 | 0 | 0 | 0 | 113.5 | Q294 L300 Q302 | Q294-S298 VanDerWaalsContact O-CB 3.29Å; Q294-S298 WeakPolarHBondContact O-CB 3.35Å; Q294-S298 PolarHBondContact O-N 3.4Å; Q294-S298 PolarHBondContact O-OG 3.06Å; S298-L300 PolarHBondContact O-N 3.19Å; S298-L300 WeakPolarHBondContact OG-CB 3.31Å; S298-L300 PolarHBondContact OG-N 3.09Å; S298-L300 VanDerWaalsContact OG-N 3.11Å; S298-Q302 PolarHBondContact OG-NE2 3.12Å; S298-Q302 VanDerWaalsContact OG-NE2 3.1Å |
| 299 | H | 94.5 | Very high | 96.2 | Very high | 119 Ų | 119 | 44.3 Ų | 44.3 | 55% | 0.551 | 22% | 0.217 | S | C | * | . | trans | 57.3 | 18.5 | -167 | -55.1 | -71.8 | 0 | 0 | 0 | 114.1 | F202 M295 I296 | F202-H299 PolarHBondContact O-ND1 3Å; M295-H299 WeakPolarHBondContact O-CA 3.47Å; M295-H299 PolarHBondContact O-N 2.9Å; I296-H299 PolarHBondContact O-CE1 3.41Å; I296-H299 PolarHBondContact O-ND1 3.39Å | ||
| 300 | L | 95.7 | Very high | 96.2 | Very high | 80 Ų | 80 | 47.7 Ų | 47.7 | 42% | 0.419 | 23% | 0.234 | S | C | . | . | trans | -112.4 | 138.1 | -178 | -63.4 | 173.9 | 0 | 0 | 0 | 111.2 | S298 Q302 | S298-L300 PolarHBondContact O-N 3.19Å; S298-L300 WeakPolarHBondContact OG-CB 3.31Å; S298-L300 PolarHBondContact OG-N 3.09Å; S298-L300 VanDerWaalsContact OG-N 3.11Å; L300-Q302 HydrophobicContact CB-CB 4.33Å; L300-Q302 HydrophobicContact CB-CG 4.13Å; L300-Q302 PolarHBondContact O-N 2.81Å | ||
| 301 | L | 97.4 | Very high | 96.3 | Very high | 3 Ų | 3 | 47.6 Ų | 47.6 | 2% | 0.016 | 23% | 0.233 | C | C | . | . | trans | -80 | 100.1 | 161.9 | -179.1 | 65.1 | 0 | 0 | 0 | 107.9 | W140 L174 T178 Y201 M295 S322 Y323 L325 | W140-L301 HydrophobicContact CH2-CD1 4.23Å; L174-L301 HydrophobicContact CD1-CD1 3.38Å; T178-L301 HydrophobicContact CG2-CD1 4.24Å; T178-L301 HydrophobicContact CG2-CD2 4.15Å; T178-L301 HydrophobicContact CG2-CG 4.49Å; Y201-L301 HydrophobicContact CD1-CB 4.28Å; Y201-L301 HydrophobicContact CE1-CB 3.64Å; Y201-L301 HydrophobicContact CE2-CB 4.5Å; Y201-L301 HydrophobicContact CE2-CD2 4.12Å; M295-L301 HydrophobicContact CE-CD1 3.56Å; L301-S322 CarbonylContact O-C 3.6Å; L301-S322 WeakPolarHBondContact O-CA 3.48Å; L301-Y323 HydrophobicContact CG-CD2 4.31Å; L301-Y323 HydrophobicContact CG-CG 4.45Å; L301-Y323 PolarHBondContact O-N 3Å; L301-L325 HydrophobicContact CD2-CD1 4.11Å; L301-L325 HydrophobicContact CD2-CD2 4.15Å; L301-L325 HydrophobicContact CD2-CG 4.06Å | ||
| 302 | Q | 97.2 | Very high | 96.3 | Very high | 14 Ų | 14 | 54 Ų | 54 | 7% | 0.065 | 26% | 0.257 | C | S | . | . | B | Isolated β-bridge | trans | -142.7 | 168.7 | -173 | 63.5 | -173.7 | 5 | 0 | 0 | 112.5 | W140 H291 S298 L300 P320 | W140-Q302 WeakPolarHBondContact CH2-O 3.42Å; W140-Q302 VanDerWaalsContact CZ2-O 3.32Å; W140-Q302 WeakPolarHBondContact CZ2-O 3.4Å; H291-Q302 PolarHBondContact NE2-O 3.27Å; S298-Q302 PolarHBondContact OG-NE2 3.12Å; S298-Q302 VanDerWaalsContact OG-NE2 3.1Å; L300-Q302 HydrophobicContact CB-CB 4.33Å; L300-Q302 HydrophobicContact CB-CG 4.13Å; L300-Q302 PolarHBondContact O-N 2.81Å; Q302-P320 HydrophobicContact CB-CG 4.47Å; Q302-P320 HydrophobicContact CG-CG 4.15Å |
| 303 | K | 97.9 | Very high | 96.3 | Very high | 58 Ų | 58 | 60.9 Ų | 60.9 | 25% | 0.252 | 29% | 0.289 | S | S | . | . | trans | -66.8 | 163.6 | 171.6 | -69.2 | -170.2 | 179 | -174 | 0 | 111.3 | H291 D305 Y315 P320 P321 Y323 | H291-K303 VanDerWaalsContact NE2-C 3.31Å; K303-D305 PolarHBondContact O-N 3.18Å; K303-Y315 HydrophobicContact CB-CE1 4.29Å; K303-Y315 HydrophobicContact CD-CD1 4.45Å; K303-Y315 HydrophobicContact CD-CE1 3.94Å; K303-P320 HydrophobicContact CB-CB 4.1Å; K303-P320 WeakPolarHBondContact O-CB 3.35Å; K303-P321 HydrophobicContact CD-CB 4.31Å; K303-P321 HydrophobicContact CD-CG 4.29Å; K303-P321 PolarHBondContact N-O 3.37Å; K303-Y323 HydrophobicContact CG-CE2 3.67Å | ||
| 304 | F | 98.1 | Very high | 96.4 | Very high | 16 Ų | 16 | 64.6 Ų | 64.6 | 7% | 0.07 | 31% | 0.308 | C | S | . | . | trans | -60.5 | 131 | -179 | -173.9 | -90.7 | 0 | 0 | 0 | 110.7 | K287 V290 H291 Y306 Y315 | K287-F304 HydrophobicContact CG-CD2 3.91Å; K287-F304 HydrophobicContact CG-CE1 4.48Å; K287-F304 HydrophobicContact CG-CE2 3.59Å; K287-F304 HydrophobicContact CG-CG 4.49Å; K287-F304 HydrophobicContact CG-CZ 3.91Å; K287-F304 WeakPolarHBondContact O-CE2 3.4Å; V290-F304 HydrophobicContact CB-CE2 4.08Å; V290-F304 HydrophobicContact CB-CZ 4.43Å; V290-F304 HydrophobicContact CG1-CE2 3.73Å; V290-F304 HydrophobicContact CG1-CZ 3.79Å; H291-F304 HydrophobicContact CB-CD2 3.7Å; H291-F304 HydrophobicContact CB-CE2 4.17Å; H291-F304 PolarHBondContact CE1-N 2.88Å; H291-F304 VanDerWaalsContact CE1-N 3.26Å; H291-F304 AromaticContact CG-CD2 3.69Å; H291-F304 AromaticContact ND1-CD2 3.99Å; H291-F304 WeakPolarHBondContact NE2-CA 3.33Å; H291-F304 PolarHBondContact NE2-N 2.88Å; F304-Y306 HydrophobicContact CB-CE2 4.25Å; F304-Y306 AromaticContact CD1-CD1 3.64Å; F304-Y306 HydrophobicContact CD1-CD1 3.64Å; F304-Y306 AromaticContact CD1-CD2 3.89Å; F304-Y306 HydrophobicContact CD1-CD2 3.89Å; F304-Y306 AromaticContact CD1-CE1 3.56Å; F304-Y306 HydrophobicContact CD1-CE1 3.56Å; F304-Y306 AromaticContact CD1-CE2 3.83Å; F304-Y306 HydrophobicContact CD1-CE2 3.83Å; F304-Y306 AromaticContact CD1-CG 3.8Å; F304-Y306 HydrophobicContact CD1-CG 3.8Å; F304-Y306 AromaticContact CD1-CZ 3.65Å; F304-Y306 AromaticContact CE1-CD1 3.72Å; F304-Y306 HydrophobicContact CE1-CD1 3.72Å; F304-Y306 AromaticContact CE1-CE1 3.86Å; F304-Y306 HydrophobicContact CE1-CE1 3.86Å; F304-Y306 HydrophobicContact CE1-CG 4.17Å; F304-Y306 WeakPolarHBondContact O-CD2 3.14Å; F304-Y315 VanDerWaalsContact O-CE2 3.31Å; F304-Y315 WeakPolarHBondContact O-CE2 3.45Å; F304-Y315 PolarHBondContact O-OH 3.11Å | ||
| 305 | D | 97.8 | Very high | 96.4 | Very high | 53 Ų | 53 | 65 Ų | 65 | 28% | 0.283 | 31% | 0.308 | S | S | . | . | trans | -86.1 | 113.3 | 177 | -171.4 | -7.3 | 0 | 0 | 0 | 110.2 | Q294 K303 G307 N311 P320 | Q294-D305 PolarHBondContact NE2-O 3.2Å; K303-D305 PolarHBondContact O-N 3.18Å; D305-G307 WeakPolarHBondContact OD1-CA 3.29Å; D305-G307 PolarHBondContact OD1-N 3.37Å; D305-N311 PolarHBondContact OD1-ND2 3.43Å; D305-P320 HydrophobicContact CB-CG 4.02Å | ||
| 306 | Y | 95.8 | Very high | 96.4 | Very high | 68 Ų | 68 | 68.1 Ų | 68.1 | 27% | 0.267 | 34% | 0.342 | S | S | . | . | trans | -92.5 | 1.2 | 176.3 | -63.2 | -86.4 | 0 | 0 | 0 | 113.1 | K287 F304 M310 N311 I314 Y315 | K287-Y306 VanDerWaalsContact CE-OH 3.29Å; K287-Y306 WeakPolarHBondContact CE-OH 3.4Å; K287-Y306 PolarHBondContact NZ-OH 2.87Å; F304-Y306 HydrophobicContact CB-CE2 4.25Å; F304-Y306 AromaticContact CD1-CD1 3.64Å; F304-Y306 HydrophobicContact CD1-CD1 3.64Å; F304-Y306 AromaticContact CD1-CD2 3.89Å; F304-Y306 HydrophobicContact CD1-CD2 3.89Å; F304-Y306 AromaticContact CD1-CE1 3.56Å; F304-Y306 HydrophobicContact CD1-CE1 3.56Å; F304-Y306 AromaticContact CD1-CE2 3.83Å; F304-Y306 HydrophobicContact CD1-CE2 3.83Å; F304-Y306 AromaticContact CD1-CG 3.8Å; F304-Y306 HydrophobicContact CD1-CG 3.8Å; F304-Y306 AromaticContact CD1-CZ 3.65Å; F304-Y306 AromaticContact CE1-CD1 3.72Å; F304-Y306 HydrophobicContact CE1-CD1 3.72Å; F304-Y306 AromaticContact CE1-CE1 3.86Å; F304-Y306 HydrophobicContact CE1-CE1 3.86Å; F304-Y306 HydrophobicContact CE1-CG 4.17Å; F304-Y306 WeakPolarHBondContact O-CD2 3.14Å; Y306-M310 HydrophobicContact CG-CB 4.38Å; Y306-N311 PolarHBondContact N-OD1 3.27Å; Y306-I314 HydrophobicContact CD1-CD1 4.14Å; Y306-I314 HydrophobicContact CD2-CD1 3.47Å; Y306-I314 VanDerWaalsContact CD2-CD1 3.47Å; Y306-I314 HydrophobicContact CE1-CD1 4.27Å; Y306-I314 HydrophobicContact CE2-CD1 3.59Å; Y306-I314 HydrophobicContact CE2-CG2 4.44Å; Y306-I314 HydrophobicContact CG-CD1 3.75Å; Y306-Y315 HydrophobicContact CD2-CE2 4.06Å; Y306-Y315 HydrophobicContact CE2-CE2 4.38Å; Y306-Y315 AromaticContact CE2-CZ 3.89Å; Y306-Y315 VanDerWaalsContact CE2-OH 3.23Å; Y306-Y315 WeakPolarHBondContact CE2-OH 3.34Å | ||
| 307 | G | 95 | Very high | 96.6 | Very high | 32 Ų | 32 | 72 Ų | 72 | 33% | 0.33 | 36% | 0.359 | S | S | . | . | trans | 85 | 151.1 | -167.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | D305 Y309 M310 N311 | D305-G307 WeakPolarHBondContact OD1-CA 3.29Å; D305-G307 PolarHBondContact OD1-N 3.37Å; G307-Y309 VanDerWaalsContact C-N 3.27Å; G307-Y309 PolarHBondContact O-N 3.42Å; G307-M310 PolarHBondContact O-N 3.45Å; G307-N311 PolarHBondContact O-N 3.24Å | ||
| 308 | Q | 96 | Very high | 96.7 | Very high | 124 Ų | 124 | 70.9 Ų | 70.9 | 58% | 0.579 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -45.1 | -42.6 | -169.4 | -66.7 | 179 | -14.4 | 0 | 0 | 115.6 | R312 D318 | Q308-R312 PolarHBondContact O-N 3.2Å; Q308-R312 VanDerWaalsContact O-N 3.08Å; Q308-R312 PolarHBondContact O-NE 2.87Å; Q308-D318 HydrophobicContact CG-CB 4.42Å |
| 309 | Y | 96.7 | Very high | 96.9 | Very high | 177 Ų | 177 | 74.1 Ų | 74.1 | 69% | 0.694 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -64.6 | -49.7 | 179.7 | 178.7 | -95.7 | 0 | 0 | 0 | 111.8 | G307 R312 H313 | G307-Y309 VanDerWaalsContact C-N 3.27Å; G307-Y309 PolarHBondContact O-N 3.42Å; Y309-R312 PolarHBondContact O-N 2.95Å; Y309-H313 PolarHBondContact O-N 2.77Å |
| 310 | M | 96.9 | Very high | 97 | Very high | 74 Ų | 74 | 68.7 Ų | 68.7 | 37% | 0.365 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -74.7 | -32.5 | -179.1 | -70.6 | -54.9 | -58.3 | 0 | 0 | 111.8 | Y306 G307 R312 H313 I314 | Y306-M310 HydrophobicContact CG-CB 4.38Å; G307-M310 PolarHBondContact O-N 3.45Å; M310-R312 VanDerWaalsContact C-N 3.35Å; M310-R312 PolarHBondContact O-N 3.16Å; M310-H313 PolarHBondContact O-N 3.5Å; M310-H313 VanDerWaalsContact O-N 3.16Å; M310-I314 HydrophobicContact CB-CD1 4.44Å; M310-I314 HydrophobicContact CE-CD1 4.03Å; M310-I314 HydrophobicContact CE-CG1 4.38Å; M310-I314 WeakPolarHBondContact O-CB 3.41Å; M310-I314 VanDerWaalsContact O-CG1 3.29Å; M310-I314 WeakPolarHBondContact O-CG1 3.45Å; M310-I314 PolarHBondContact O-N 3.28Å |
| 311 | N | 98.1 | Very high | 97.1 | Very high | 1 Ų | 1 | 66.6 Ų | 66.6 | 1% | 0.005 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61 | -43.1 | 172.2 | -68.9 | -16.3 | 0 | 0 | 0 | 111.3 | D305 Y306 G307 H313 I314 Y315 G316 Q317 D318 | D305-N311 PolarHBondContact OD1-ND2 3.43Å; Y306-N311 PolarHBondContact N-OD1 3.27Å; G307-N311 PolarHBondContact O-N 3.24Å; N311-H313 VanDerWaalsContact C-N 3.28Å; N311-H313 PolarHBondContact O-N 2.91Å; N311-I314 PolarHBondContact O-N 2.93Å; N311-Y315 HydrophobicContact CB-CD2 3.97Å; N311-Y315 WeakPolarHBondContact O-CA 3.29Å; N311-Y315 VanDerWaalsContact O-CB 3.31Å; N311-Y315 WeakPolarHBondContact O-CB 3.02Å; N311-Y315 PolarHBondContact O-N 2.56Å; N311-G316 PolarHBondContact O-N 2.7Å; N311-Q317 CarbonylContact C-O 3Å; N311-Q317 VanDerWaalsContact CB-O 3.31Å; N311-Q317 WeakPolarHBondContact CB-O 3.28Å; N311-D318 WeakPolarHBondContact CB-O 3.43Å; N311-D318 PolarHBondContact ND2-O 3.11Å |
| 312 | R | 97.5 | Very high | 97.1 | Very high | 134 Ų | 134 | 69.5 Ų | 69.5 | 51% | 0.506 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.2 | -38.2 | 173.7 | -81 | -174.9 | -75.4 | -168 | -8.7 | 112.5 | Q308 Y309 M310 G316 Q317 D318 | Q308-R312 PolarHBondContact O-N 3.2Å; Q308-R312 VanDerWaalsContact O-N 3.08Å; Q308-R312 PolarHBondContact O-NE 2.87Å; Y309-R312 PolarHBondContact O-N 2.95Å; M310-R312 VanDerWaalsContact C-N 3.35Å; M310-R312 PolarHBondContact O-N 3.16Å; R312-G316 WeakPolarHBondContact O-CA 3.47Å; R312-G316 PolarHBondContact O-N 2.71Å; R312-G316 VanDerWaalsContact O-N 3.08Å; R312-Q317 WeakPolarHBondContact CA-O 3.45Å; R312-Q317 PolarHBondContact N-O 3.02Å; R312-Q317 VanDerWaalsContact N-O 3.09Å; R312-D318 WeakPolarHBondContact CD-OD1 3.31Å; R312-D318 VanDerWaalsContact CG-OD1 3.22Å; R312-D318 WeakPolarHBondContact CG-OD1 3.16Å; R312-D318 IonicContact CZ-OD1 3.4Å; R312-D318 IonicContact NE-OD1 2.96Å; R312-D318 PolarHBondContact NE-OD1 2.95Å; R312-D318 IonicContact NH1-OD1 3.95Å; R312-D318 IonicContact NH2-OD1 3.94Å |
| 313 | H | 97.4 | Very high | 97 | Very high | 147 Ų | 147 | 69.3 Ų | 69.3 | 68% | 0.681 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -69.3 | -42 | 178.1 | -174 | 68.1 | 0 | 0 | 0 | 112.9 | Y309 M310 N311 | Y309-H313 PolarHBondContact O-N 2.77Å; M310-H313 PolarHBondContact O-N 3.5Å; M310-H313 VanDerWaalsContact O-N 3.16Å; N311-H313 VanDerWaalsContact C-N 3.28Å; N311-H313 PolarHBondContact O-N 2.91Å |
| 314 | I | 96.1 | Very high | 96.9 | Very high | 78 Ų | 78 | 69.7 Ų | 69.7 | 40% | 0.4 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -88.8 | -41.7 | -172.9 | -62.9 | 169.6 | 0 | 0 | 0 | 111.8 | Y306 M310 N311 | Y306-I314 HydrophobicContact CD1-CD1 4.14Å; Y306-I314 HydrophobicContact CD2-CD1 3.47Å; Y306-I314 VanDerWaalsContact CD2-CD1 3.47Å; Y306-I314 HydrophobicContact CE1-CD1 4.27Å; Y306-I314 HydrophobicContact CE2-CD1 3.59Å; Y306-I314 HydrophobicContact CE2-CG2 4.44Å; Y306-I314 HydrophobicContact CG-CD1 3.75Å; M310-I314 HydrophobicContact CB-CD1 4.44Å; M310-I314 HydrophobicContact CE-CD1 4.03Å; M310-I314 HydrophobicContact CE-CG1 4.38Å; M310-I314 WeakPolarHBondContact O-CB 3.41Å; M310-I314 VanDerWaalsContact O-CG1 3.29Å; M310-I314 WeakPolarHBondContact O-CG1 3.45Å; M310-I314 PolarHBondContact O-N 3.28Å; N311-I314 PolarHBondContact O-N 2.93Å |
| 315 | Y | 96.7 | Very high | 96.8 | Very high | 44 Ų | 44 | 68.9 Ų | 68.9 | 17% | 0.173 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -109.6 | -13.5 | -172.9 | -51.4 | -46.6 | 0 | 0 | 0 | 114.1 | K303 F304 Y306 N311 Q317 P320 P321 | K303-Y315 HydrophobicContact CB-CE1 4.29Å; K303-Y315 HydrophobicContact CD-CD1 4.45Å; K303-Y315 HydrophobicContact CD-CE1 3.94Å; F304-Y315 VanDerWaalsContact O-CE2 3.31Å; F304-Y315 WeakPolarHBondContact O-CE2 3.45Å; F304-Y315 PolarHBondContact O-OH 3.11Å; Y306-Y315 HydrophobicContact CD2-CE2 4.06Å; Y306-Y315 HydrophobicContact CE2-CE2 4.38Å; Y306-Y315 AromaticContact CE2-CZ 3.89Å; Y306-Y315 VanDerWaalsContact CE2-OH 3.23Å; Y306-Y315 WeakPolarHBondContact CE2-OH 3.34Å; N311-Y315 HydrophobicContact CB-CD2 3.97Å; N311-Y315 WeakPolarHBondContact O-CA 3.29Å; N311-Y315 VanDerWaalsContact O-CB 3.31Å; N311-Y315 WeakPolarHBondContact O-CB 3.02Å; N311-Y315 PolarHBondContact O-N 2.56Å; Y315-Q317 VanDerWaalsContact C-N 3.29Å; Y315-Q317 PolarHBondContact O-N 2.98Å; Y315-P320 HydrophobicContact CD2-CB 4.29Å; Y315-P320 HydrophobicContact CE2-CB 3.86Å; Y315-P321 HydrophobicContact CD1-CG 4.45Å; Y315-P321 HydrophobicContact CG-CG 4.24Å |
| 316 | G | 97.7 | Very high | 96.7 | Very high | 68 Ų | 68 | 73 Ų | 73 | 70% | 0.701 | 37% | 0.373 | S | S | * | . | S | Bend | trans | 77.3 | 9.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | N311 R312 | N311-G316 PolarHBondContact O-N 2.7Å; R312-G316 WeakPolarHBondContact O-CA 3.47Å; R312-G316 PolarHBondContact O-N 2.71Å; R312-G316 VanDerWaalsContact O-N 3.08Å |
| 317 | Q | 97.7 | Very high | 96.7 | Very high | 93 Ų | 93 | 73.3 Ų | 73.3 | 44% | 0.435 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -146 | 159.6 | -179.5 | 49.8 | 175.9 | 57.7 | 0 | 0 | 110.8 | N311 R312 Y315 D319 | N311-Q317 CarbonylContact C-O 3Å; N311-Q317 VanDerWaalsContact CB-O 3.31Å; N311-Q317 WeakPolarHBondContact CB-O 3.28Å; R312-Q317 WeakPolarHBondContact CA-O 3.45Å; R312-Q317 PolarHBondContact N-O 3.02Å; R312-Q317 VanDerWaalsContact N-O 3.09Å; Y315-Q317 VanDerWaalsContact C-N 3.29Å; Y315-Q317 PolarHBondContact O-N 2.98Å; Q317-D319 VanDerWaalsContact CG-O 3.31Å; Q317-D319 WeakPolarHBondContact CG-O 3.39Å; Q317-D319 PolarHBondContact NE2-O 3.32Å |
| 318 | D | 97.3 | Very high | 96.8 | Very high | 67 Ų | 67 | 71.8 Ų | 71.8 | 36% | 0.358 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -68.4 | -35.3 | -175.1 | -73.9 | -39 | 0 | 0 | 0 | 113.2 | Q308 N311 R312 | Q308-D318 HydrophobicContact CG-CB 4.42Å; N311-D318 WeakPolarHBondContact CB-O 3.43Å; N311-D318 PolarHBondContact ND2-O 3.11Å; R312-D318 WeakPolarHBondContact CD-OD1 3.31Å; R312-D318 VanDerWaalsContact CG-OD1 3.22Å; R312-D318 WeakPolarHBondContact CG-OD1 3.16Å; R312-D318 IonicContact CZ-OD1 3.4Å; R312-D318 IonicContact NE-OD1 2.96Å; R312-D318 PolarHBondContact NE-OD1 2.95Å; R312-D318 IonicContact NH1-OD1 3.95Å; R312-D318 IonicContact NH2-OD1 3.94Å |
| 319 | D | 96.8 | Very high | 96.9 | Very high | 106 Ų | 106 | 70.6 Ų | 70.6 | 57% | 0.567 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -105.3 | 148.6 | -179.3 | -58.2 | -55.2 | 0 | 0 | 0 | 111.3 | Q317 | Q317-D319 VanDerWaalsContact CG-O 3.31Å; Q317-D319 WeakPolarHBondContact CG-O 3.39Å; Q317-D319 PolarHBondContact NE2-O 3.32Å |
| 320 | P | 97.7 | Very high | 96.9 | Very high | 6 Ų | 6 | 62.4 Ų | 62.4 | 4% | 0.039 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -64 | 140.7 | 176.2 | 28.2 | -35.9 | 0 | 0 | 0 | 111.8 | Q302 K303 D305 Y315 S322 | Q302-P320 HydrophobicContact CB-CG 4.47Å; Q302-P320 HydrophobicContact CG-CG 4.15Å; K303-P320 HydrophobicContact CB-CB 4.1Å; K303-P320 WeakPolarHBondContact O-CB 3.35Å; D305-P320 HydrophobicContact CB-CG 4.02Å; Y315-P320 HydrophobicContact CD2-CB 4.29Å; Y315-P320 HydrophobicContact CE2-CB 3.86Å; P320-S322 PolarHBondContact O-N 3.24Å |
| 321 | P | 97.2 | Very high | 97 | Very high | 36 Ų | 36 | 61 Ų | 61 | 23% | 0.234 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 136.9 | 173.4 | -23.8 | 32.5 | 0 | 0 | 0 | 112.2 | K303 Y315 | K303-P321 HydrophobicContact CD-CB 4.31Å; K303-P321 HydrophobicContact CD-CG 4.29Å; K303-P321 PolarHBondContact N-O 3.37Å; Y315-P321 HydrophobicContact CD1-CG 4.45Å; Y315-P321 HydrophobicContact CG-CG 4.24Å |
| 322 | S | 96.8 | Very high | 97 | Very high | 64 Ų | 64 | 60.9 Ų | 60.9 | 45% | 0.448 | 33% | 0.325 | S | S | . | . | B | Isolated β-bridge | trans | -84.3 | 145.2 | 173.2 | -62.7 | 0 | 0 | 0 | 0 | 112.4 | L301 P320 | L301-S322 CarbonylContact O-C 3.6Å; L301-S322 WeakPolarHBondContact O-CA 3.48Å; P320-S322 PolarHBondContact O-N 3.24Å |
| 323 | Y | 96.3 | Very high | 97 | Very high | 9 Ų | 9 | 54.5 Ų | 54.5 | 4% | 0.035 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -82.6 | 129.9 | 166.9 | -63.2 | -93.8 | 0 | 0 | 0 | 109.6 | W140 T178 D182 L301 K303 | W140-Y323 AromaticContact CH2-CD2 3.92Å; W140-Y323 HydrophobicContact CH2-CD2 3.92Å; W140-Y323 AromaticContact CH2-CE2 3.5Å; W140-Y323 HydrophobicContact CH2-CE2 3.5Å; W140-Y323 HydrophobicContact CZ3-CD2 4.39Å; W140-Y323 AromaticContact CZ3-CE2 3.8Å; W140-Y323 HydrophobicContact CZ3-CE2 3.8Å; T178-Y323 HydrophobicContact CG2-CD1 3.84Å; T178-Y323 HydrophobicContact CG2-CD2 4.18Å; T178-Y323 HydrophobicContact CG2-CE1 4.21Å; T178-Y323 HydrophobicContact CG2-CG 3.82Å; D182-Y323 VanDerWaalsContact OD2-CE1 3.31Å; D182-Y323 WeakPolarHBondContact OD2-CE1 3.41Å; L301-Y323 HydrophobicContact CG-CD2 4.31Å; L301-Y323 HydrophobicContact CG-CG 4.45Å; L301-Y323 PolarHBondContact O-N 3Å; K303-Y323 HydrophobicContact CG-CE2 3.67Å |
| 324 | T | 94.5 | Very high | 97.1 | Very high | 66 Ų | 66 | 47.5 Ų | 47.5 | 41% | 0.405 | 27% | 0.268 | S | S | . | . | trans | -97.3 | -21.6 | -173.5 | 61.6 | 0 | 0 | 0 | 0 | 113.5 | K326 | T324-K326 PolarHBondContact O-N 2.75Å; T324-K326 VanDerWaalsContact O-N 3.15Å; T324-K326 WeakPolarHBondContact OG1-CB 3.45Å; T324-K326 WeakPolarHBondContact OG1-CD 3.37Å; T324-K326 VanDerWaalsContact OG1-CG 3.23Å; T324-K326 WeakPolarHBondContact OG1-CG 3.44Å; T324-K326 PolarHBondContact OG1-N 2.88Å | ||
| 325 | L | 96.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | trans | 57.2 | 19 | -170.5 | -51.5 | -176.2 | 0 | 0 | 0 | 113.2 | M177 D181 Y201 L301 N327 F328 L351 R354 I355 | M177-L325 HydrophobicContact CB-CD1 4.44Å; M177-L325 HydrophobicContact CB-CD2 4.01Å; M177-L325 HydrophobicContact SD-CD1 4.39Å; D181-L325 HydrophobicContact CB-CD2 4Å; D181-L325 WeakPolarHBondContact OD1-CA 3.03Å; D181-L325 WeakPolarHBondContact OD2-CA 3.13Å; D181-L325 PolarHBondContact OD2-N 3.35Å; Y201-L325 HydrophobicContact CE2-CD1 4.04Å; L301-L325 HydrophobicContact CD2-CD1 4.11Å; L301-L325 HydrophobicContact CD2-CD2 4.15Å; L301-L325 HydrophobicContact CD2-CG 4.06Å; L325-N327 PolarHBondContact O-N 2.92Å; L325-F328 HydrophobicContact CB-CB 4.28Å; L325-F328 WeakPolarHBondContact O-CB 3.29Å; L325-F328 PolarHBondContact O-N 3.18Å; L325-L351 HydrophobicContact CD1-CD1 4.05Å; L325-R354 HydrophobicContact CB-CB 4.33Å; L325-R354 HydrophobicContact CD1-CB 4.35Å; L325-I355 HydrophobicContact CB-CG2 3.94Å; L325-I355 HydrophobicContact CD1-CG2 3.89Å | ||
| 326 | K | 95.9 | Very high | 97.2 | Very high | 140 Ų | 140 | 42.8 Ų | 42.8 | 61% | 0.609 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -68.7 | -35.2 | -176.5 | 74.3 | -173.4 | 176.4 | -178.2 | 0 | 112.1 | D181 T324 K357 | D181-K326 PolarHBondContact OD1-N 3.31Å; T324-K326 PolarHBondContact O-N 2.75Å; T324-K326 VanDerWaalsContact O-N 3.15Å; T324-K326 WeakPolarHBondContact OG1-CB 3.45Å; T324-K326 WeakPolarHBondContact OG1-CD 3.37Å; T324-K326 VanDerWaalsContact OG1-CG 3.23Å; T324-K326 WeakPolarHBondContact OG1-CG 3.44Å; T324-K326 PolarHBondContact OG1-N 2.88Å; K326-K357 PolarHBondContact O-NZ 3.45Å |
| 327 | N | 96.3 | Very high | 97.1 | Very high | 74 Ų | 74 | 39.6 Ų | 39.6 | 40% | 0.396 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -86.8 | -18.5 | -179.1 | -60.8 | -33.1 | 0 | 0 | 0 | 111.2 | D181 Q187 L325 N329 | D181-N327 WeakPolarHBondContact O-CB 3.25Å; D181-N327 PolarHBondContact O-ND2 3.1Å; D181-N327 VanDerWaalsContact O-ND2 3.12Å; D181-N327 WeakPolarHBondContact OD1-CA 3.47Å; D181-N327 WeakPolarHBondContact OD1-CB 3.12Å; D181-N327 PolarHBondContact OD1-N 3.29Å; Q187-N327 PolarHBondContact NE2-O 3.23Å; Q187-N327 PolarHBondContact OE1-O 3.49Å; L325-N327 PolarHBondContact O-N 2.92Å; N327-N329 PolarHBondContact O-N 3.31Å |
| 328 | F | 97.2 | Very high | 97 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | -57.3 | 121.2 | 176.5 | -173.1 | -93.9 | 0 | 0 | 0 | 111.3 | M177 L180 D181 F193 L325 I330 T332 I355 K357 T358 | M177-F328 HydrophobicContact CB-CE2 4.49Å; M177-F328 HydrophobicContact CG-CE2 4.25Å; M177-F328 HydrophobicContact CG-CZ 4.41Å; L180-F328 HydrophobicContact CB-CD2 3.81Å; L180-F328 HydrophobicContact CB-CE2 3.96Å; L180-F328 HydrophobicContact CD1-CE2 3.81Å; D181-F328 PolarHBondContact OD1-N 3.3Å; F193-F328 HydrophobicContact CD1-CE1 4.46Å; F193-F328 HydrophobicContact CD1-CE2 4.43Å; F193-F328 AromaticContact CD1-CZ 3.63Å; F193-F328 HydrophobicContact CD1-CZ 3.63Å; F193-F328 HydrophobicContact CE1-CZ 4.14Å; L325-F328 HydrophobicContact CB-CB 4.28Å; L325-F328 WeakPolarHBondContact O-CB 3.29Å; L325-F328 PolarHBondContact O-N 3.18Å; F328-I330 HydrophobicContact CE1-CB 4.35Å; F328-I330 HydrophobicContact CE2-CB 4.26Å; F328-I330 HydrophobicContact CE2-CG1 4.18Å; F328-I330 HydrophobicContact CZ-CB 3.83Å; F328-I330 HydrophobicContact CZ-CG1 4.26Å; F328-T332 WeakPolarHBondContact CE1-OG1 3.29Å; F328-I355 HydrophobicContact CD1-CB 4.18Å; F328-I355 HydrophobicContact CD1-CG2 3.71Å; F328-I355 HydrophobicContact CE1-CG2 4.35Å; F328-I355 HydrophobicContact CG-CG2 4.37Å; F328-K357 WeakPolarHBondContact O-CE 3.43Å; F328-T358 HydrophobicContact CD1-CG2 4.11Å; F328-T358 HydrophobicContact CE1-CG2 4.39Å; F328-T358 WeakPolarHBondContact O-CG2 3.38Å | ||
| 329 | N | 97.3 | Very high | 96.9 | Very high | 98 Ų | 98 | 35.7 Ų | 35.7 | 52% | 0.524 | 20% | 0.199 | S | C | . | . | trans | -142.4 | 27.8 | -170 | -159.8 | 53.8 | 0 | 0 | 0 | 113.6 | N327 | N327-N329 PolarHBondContact O-N 3.31Š| ||
| 330 | I | 97.5 | Very high | 96.9 | Very high | 5 Ų | 5 | 30.8 Ų | 30.8 | 3% | 0.026 | 17% | 0.173 | C | C | . | . | trans | -94.4 | 131.8 | -178.1 | -55.8 | -50.5 | 0 | 0 | 0 | 111.1 | L180 Q187 I190 F193 F328 T332 T358 | L180-I330 HydrophobicContact CD1-CG1 3.99Å; Q187-I330 HydrophobicContact CB-CD1 3.61Å; Q187-I330 HydrophobicContact CG-CD1 4.11Å; Q187-I330 WeakPolarHBondContact O-CD1 3.44Å; I190-I330 HydrophobicContact CB-CD1 4.32Å; I190-I330 HydrophobicContact CB-CG1 4.43Å; I190-I330 HydrophobicContact CB-CG2 4.18Å; I190-I330 HydrophobicContact CG2-CG2 3.7Å; F193-I330 HydrophobicContact CB-CB 4.46Å; F193-I330 HydrophobicContact CB-CG2 3.73Å; F328-I330 HydrophobicContact CE1-CB 4.35Å; F328-I330 HydrophobicContact CE2-CB 4.26Å; F328-I330 HydrophobicContact CE2-CG1 4.18Å; F328-I330 HydrophobicContact CZ-CB 3.83Å; F328-I330 HydrophobicContact CZ-CG1 4.26Å; I330-T332 PolarHBondContact O-N 2.74Å; I330-T332 VanDerWaalsContact O-N 3.09Å; I330-T332 PolarHBondContact O-OG1 2.99Å; I330-T358 WeakPolarHBondContact O-CB 3.47Å; I330-T358 PolarHBondContact O-OG1 3.21Å | ||
| 331 | P | 97.9 | Very high | 96.8 | Very high | 44 Ų | 44 | 32.5 Ų | 32.5 | 29% | 0.286 | 18% | 0.18 | S | C | . | . | trans | -52.3 | 119.1 | 173.1 | -22.4 | 32.1 | 0 | 0 | 0 | 111 | F193 T358 I360 Y394 | F193-P331 PolarHBondContact N-O 2.59Å; P331-T358 CarbonylContact C-O 3.59Å; P331-T358 WeakPolarHBondContact CA-O 3.42Å; P331-I360 HydrophobicContact CB-CD1 3.54Å; P331-I360 HydrophobicContact CB-CG1 4.06Å; P331-Y394 HydrophobicContact CB-CE1 4.08Å; P331-Y394 HydrophobicContact CG-CE1 4.29Å | ||
| 332 | T | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 134 | -166.2 | -59.8 | 0 | 0 | 0 | 0 | 112.3 | F193 F328 I330 I334 I355 T358 I359 I360 | F193-T332 HydrophobicContact CD1-CG2 3.58Å; F193-T332 HydrophobicContact CE1-CG2 4.09Å; F193-T332 HydrophobicContact CG-CG2 4.36Å; F193-T332 CarbonylContact O-C 3.56Å; F193-T332 VanDerWaalsContact O-CA 3.27Å; F193-T332 WeakPolarHBondContact O-CA 3.5Å; F328-T332 WeakPolarHBondContact CE1-OG1 3.29Å; I330-T332 PolarHBondContact O-N 2.74Å; I330-T332 VanDerWaalsContact O-N 3.09Å; I330-T332 PolarHBondContact O-OG1 2.99Å; T332-I334 HydrophobicContact CG2-CG1 4.02Å; T332-I355 HydrophobicContact CG2-CD1 4.21Å; T332-T358 PolarHBondContact N-O 3.27Å; T332-T358 PolarHBondContact OG1-OG1 3.03Å; T332-I359 CarbonylContact O-C 3.42Å; T332-I359 WeakPolarHBondContact O-CA 3.41Å; T332-I360 PolarHBondContact O-N 2.78Å |
| 333 | V | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 125.7 | 172.2 | 178 | 0 | 0 | 0 | 0 | 108 | L192 F193 I194 A195 Y335 I360 L390 | L192-V333 HydrophobicContact CD1-CG2 4.04Å; F193-V333 PolarHBondContact O-N 3.42Å; I194-V333 WeakPolarHBondContact CA-O 3.43Å; I194-V333 HydrophobicContact CG1-CB 4.21Å; A195-V333 PolarHBondContact N-O 3.29Å; V333-Y335 HydrophobicContact CG1-CD2 4.03Å; V333-Y335 HydrophobicContact CG1-CE2 3.44Å; V333-Y335 VanDerWaalsContact CG1-CE2 3.44Å; V333-I360 HydrophobicContact CG2-CB 4.27Å; V333-I360 HydrophobicContact CG2-CD1 3.99Å; V333-L390 HydrophobicContact CB-CD2 4.49Å; V333-L390 HydrophobicContact CG1-CD2 4.41Å; V333-L390 HydrophobicContact CG2-CD2 3.43Å; V333-L390 VanDerWaalsContact CG2-CD2 3.43Å |
| 334 | I | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 135.4 | 179.1 | -60.3 | 176.8 | 0 | 0 | 0 | 108.8 | A195 P198 T332 I348 L351 I355 I359 S361 V362 N363 | A195-I334 HydrophobicContact CB-CG1 4.48Å; P198-I334 HydrophobicContact CG-CG2 3.96Å; T332-I334 HydrophobicContact CG2-CG1 4.02Å; I334-I348 HydrophobicContact CG2-CD1 3.91Å; I334-L351 HydrophobicContact CD1-CD2 4.18Å; I334-I355 HydrophobicContact CD1-CD1 4.44Å; I334-I359 HydrophobicContact CD1-CD1 3.99Å; I334-I359 HydrophobicContact CD1-CG1 4.39Å; I334-S361 PolarHBondContact N-O 2.89Å; I334-V362 HydrophobicContact CB-CG1 4.29Å; I334-V362 HydrophobicContact CB-CG2 4.41Å; I334-V362 HydrophobicContact CD1-CG2 4.43Å; I334-V362 HydrophobicContact CG2-CG1 4.25Å; I334-N363 PolarHBondContact O-N 3.44Å; I334-N363 PolarHBondContact O-ND2 3.17Å; I334-N363 VanDerWaalsContact O-ND2 3.1Å |
| 335 | Y | 98.2 | Very high | 96.7 | Very high | 8 Ų | 8 | 28.1 Ų | 28.1 | 3% | 0.031 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 131.7 | 161.7 | -65.3 | -100.2 | 0 | 0 | 0 | 108.9 | I194 A195 F196 G197 V333 N363 I365 I383 L387 | I194-Y335 HydrophobicContact CG2-CD2 4.18Å; I194-Y335 HydrophobicContact CG2-CE2 4.1Å; A195-Y335 PolarHBondContact O-N 3.41Å; F196-Y335 AromaticContact CD1-CD2 3.65Å; F196-Y335 HydrophobicContact CD1-CD2 3.65Å; F196-Y335 HydrophobicContact CD1-CE2 4.49Å; F196-Y335 AromaticContact CD1-CG 3.98Å; F196-Y335 HydrophobicContact CD1-CG 3.98Å; F196-Y335 AromaticContact CE1-CD2 3.46Å; F196-Y335 HydrophobicContact CE1-CD2 3.46Å; F196-Y335 VanDerWaalsContact CE1-CD2 3.46Å; F196-Y335 AromaticContact CE1-CE2 3.87Å; F196-Y335 HydrophobicContact CE1-CE2 3.87Å; F196-Y335 AromaticContact CE1-CG 3.99Å; F196-Y335 HydrophobicContact CE1-CG 3.99Å; G197-Y335 PolarHBondContact N-O 3.03Å; V333-Y335 HydrophobicContact CG1-CD2 4.03Å; V333-Y335 HydrophobicContact CG1-CE2 3.44Å; V333-Y335 VanDerWaalsContact CG1-CE2 3.44Å; Y335-N363 VanDerWaalsContact CA-O 3.3Å; Y335-N363 WeakPolarHBondContact CA-O 3.43Å; Y335-N363 HydrophobicContact CD1-CB 3.44Å; Y335-N363 VanDerWaalsContact CD1-CB 3.44Å; Y335-N363 HydrophobicContact CE1-CB 3.56Å; Y335-N363 HydrophobicContact CG-CB 4.05Å; Y335-I365 HydrophobicContact CD1-CD1 4.26Å; Y335-I383 HydrophobicContact CD1-CD1 4.37Å; Y335-I383 HydrophobicContact CD1-CG1 4.11Å; Y335-I383 HydrophobicContact CD1-CG2 4.12Å; Y335-I383 HydrophobicContact CE1-CB 4.37Å; Y335-I383 HydrophobicContact CE1-CG1 4.21Å; Y335-I383 HydrophobicContact CE1-CG2 3.82Å; Y335-I383 HydrophobicContact CE2-CG2 4.31Å; Y335-L387 HydrophobicContact CE2-CD1 4.3Å |
| 336 | H | 97.3 | Very high | 96.7 | Very high | 15 Ų | 15 | 31.7 Ų | 31.7 | 7% | 0.069 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 148.1 | 174.9 | 72 | 115.8 | 0 | 0 | 0 | 111.8 | N345 I348 N363 Y364 I365 Y373 | H336-N345 PolarHBondContact CE1-OD1 3.02Å; H336-N345 PolarHBondContact ND1-OD1 3.29Å; H336-I348 HydrophobicContact CB-CD1 4.15Å; H336-I348 HydrophobicContact CB-CG1 3.88Å; H336-N363 PolarHBondContact N-O 3.2Å; H336-Y364 AromaticContact CE1-CD2 3.41Å; H336-Y364 VanDerWaalsContact CE1-CD2 3.41Å; H336-Y364 WeakPolarHBondContact CE1-CD2 3.42Å; H336-Y364 AromaticContact ND1-CD2 3.78Å; H336-Y364 AromaticContact NE2-CD2 3.81Å; H336-Y364 WeakPolarHBondContact O-CA 3.48Å; H336-I365 PolarHBondContact O-N 2.98Å; H336-Y373 VanDerWaalsContact CA-OH 3.3Å; H336-Y373 WeakPolarHBondContact CA-OH 3.27Å |
| 337 | G | 95.6 | Very high | 96.7 | Very high | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.01 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 145.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113 | N339 D340 I365 Y368 Y373 | G337-N339 VanDerWaalsContact C-N 3.33Å; G337-D340 WeakPolarHBondContact O-CB 3.35Å; G337-D340 PolarHBondContact O-N 3.19Å; G337-I365 CarbonylContact C-O 3.57Å; G337-I365 VanDerWaalsContact CA-O 3.28Å; G337-I365 WeakPolarHBondContact CA-O 3.24Å; G337-Y368 CarbonylContact C-O 3.55Å; G337-Y368 VanDerWaalsContact CA-O 3.28Å; G337-Y368 WeakPolarHBondContact CA-O 3.26Å; G337-Y373 PolarHBondContact N-OH 2.95Å |
| 338 | G | 94.4 | Very high | 96.8 | Very high | 19 Ų | 19 | 21.8 Ų | 21.8 | 20% | 0.196 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -27.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y364 I365 E366 Y368 | G338-Y364 VanDerWaalsContact CA-CE2 3.46Å; G338-Y364 WeakPolarHBondContact CA-OH 3.44Å; G338-I365 PolarHBondContact N-O 3.24Å; G338-E366 CarbonylContact C-O 3.53Å; G338-E366 WeakPolarHBondContact CA-O 3.31Å; G338-E366 PolarHBondContact N-O 2.94Å; G338-Y368 PolarHBondContact N-O 3.35Å |
| 339 | N | 95.5 | Very high | 96.8 | Very high | 58 Ų | 58 | 25.4 Ų | 25.4 | 31% | 0.31 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | 7.5 | 175.8 | -66.4 | -26.5 | 0 | 0 | 0 | 112.5 | G262 N263 G337 H341 E366 Y368 | G262-N339 WeakPolarHBondContact CA-O 3.32Å; N263-N339 VanDerWaalsContact O-CB 3.31Å; N263-N339 WeakPolarHBondContact O-CB 3.34Å; N263-N339 PolarHBondContact O-ND2 2.79Å; G337-N339 VanDerWaalsContact C-N 3.33Å; N339-H341 PolarHBondContact O-CD2 3.35Å; N339-H341 PolarHBondContact O-N 3.26Å; N339-E366 PolarHBondContact N-O 3.3Å; N339-Y368 CarbonylContact C-O 3.58Å; N339-Y368 WeakPolarHBondContact CA-O 3.29Å; N339-Y368 PolarHBondContact N-O 3.13Å |
| 340 | D | 96.5 | Very high | 96.7 | Very high | 3 Ų | 3 | 23.2 Ų | 23.2 | 2% | 0.016 | 13% | 0.126 | C | C | . | . | trans | -69.5 | 114.1 | -178.3 | -165.7 | -33.8 | 0 | 0 | 0 | 110.9 | G337 L342 C343 Y368 H370 Y373 | G337-D340 WeakPolarHBondContact O-CB 3.35Å; G337-D340 PolarHBondContact O-N 3.19Å; D340-L342 PolarHBondContact OD1-N 3.07Å; D340-C343 PolarHBondContact OD1-N 3.45Å; D340-C343 WeakPolarHBondContact OD2-CB 3.46Å; D340-Y368 PolarHBondContact N-O 3.07Å; D340-H370 WeakPolarHBondContact OD1-CB 3.29Å; D340-H370 IonicContact OD1-CE1 3.26Å; D340-H370 IonicContact OD1-CG 3.55Å; D340-H370 IonicContact OD1-ND1 2.71Å; D340-H370 PolarHBondContact OD1-ND1 3.44Å; D340-H370 WeakPolarHBondContact OD2-CA 3.38Å; D340-H370 IonicContact OD2-CE1 2.81Å; D340-H370 IonicContact OD2-CG 2.71Å; D340-H370 IonicContact OD2-ND1 3.8Å; D340-H370 PolarHBondContact OD2-ND1 2.91Å; D340-Y373 PolarHBondContact OD2-OH 3.13Å | ||
| 341 | H | 96.1 | Very high | 96.7 | Very high | 42 Ų | 42 | 23.3 Ų | 23.3 | 19% | 0.194 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -77.6 | -19.6 | -179 | -78.3 | -172.3 | 0 | 0 | 0 | 113.7 | K206 I260 A261 G262 N339 | K206-H341 HydrophobicContact CB-CB 3.96Å; K206-H341 PolarHBondContact N-O 3Å; I260-H341 VanDerWaalsContact O-CB 3.28Å; I260-H341 WeakPolarHBondContact O-CB 3.27Å; A261-H341 PolarHBondContact O-N 3.15Å; G262-H341 PolarHBondContact N-ND1 2.91Å; N339-H341 PolarHBondContact O-CD2 3.35Å; N339-H341 PolarHBondContact O-N 3.26Å |
| 342 | L | 95.9 | Very high | 96.7 | Very high | 12 Ų | 12 | 24.4 Ų | 24.4 | 6% | 0.063 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -103.8 | -44.7 | -175.3 | -74.3 | 75.9 | 0 | 0 | 0 | 111.4 | F209 I260 D340 H370 | F209-L342 HydrophobicContact CB-CD1 4.41Å; F209-L342 HydrophobicContact CB-CG 4.41Å; F209-L342 HydrophobicContact CD1-CD2 4.09Å; F209-L342 HydrophobicContact CD1-CG 4.12Å; F209-L342 HydrophobicContact CD2-CD2 4.06Å; F209-L342 HydrophobicContact CE1-CD2 4.18Å; F209-L342 HydrophobicContact CE2-CD2 4.17Å; F209-L342 HydrophobicContact CG-CD2 4.03Å; F209-L342 HydrophobicContact CG-CG 4.13Å; F209-L342 HydrophobicContact CZ-CD2 4.22Å; I260-L342 HydrophobicContact CG2-CD1 4.48Å; I260-L342 WeakPolarHBondContact O-CD1 3.34Å; D340-L342 PolarHBondContact OD1-N 3.07Å; L342-H370 HydrophobicContact CD1-CB 4.29Å |
| 343 | C | 96.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -101.1 | 76.5 | 176.1 | -176.4 | 0 | 0 | 0 | 0 | 109.7 | G197 P198 D340 I348 | G197-C343 VanDerWaalsContact C-SG 3.51Å; P198-C343 PolarHBondContact O-SG 3.19Å; D340-C343 PolarHBondContact OD1-N 3.45Å; D340-C343 WeakPolarHBondContact OD2-CB 3.46Å; C343-I348 WeakPolarHBondContact SG-CD1 3.16Å |
| 344 | T | 96 | Very high | 96.5 | Very high | 5 Ų | 5 | 36.2 Ų | 36.2 | 3% | 0.031 | 18% | 0.177 | C | C | . | . | trans | -73.6 | 163.2 | 180 | 62.8 | 0 | 0 | 0 | 0 | 112.3 | A203 N204 E346 S347 I348 | A203-T344 PolarHBondContact O-OG1 2.87Å; N204-T344 WeakPolarHBondContact O-CG2 3.48Å; T344-E346 WeakPolarHBondContact CB-OE2 3.28Å; T344-E346 PolarHBondContact O-N 3.04Å; T344-S347 WeakPolarHBondContact O-CB 3.23Å; T344-S347 PolarHBondContact O-N 3.22Å; T344-S347 VanDerWaalsContact O-N 3.08Å; T344-S347 WeakPolarHBondContact OG1-CB 3.48Å; T344-S347 PolarHBondContact OG1-N 3.31Å; T344-S347 PolarHBondContact OG1-OG 3.42Å; T344-I348 PolarHBondContact O-N 3.06Å | ||
| 345 | N | 95.3 | Very high | 96.4 | Very high | 67 Ų | 67 | 36.3 Ų | 36.3 | 36% | 0.358 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -57 | -39.3 | 174.8 | -69.9 | -19.9 | 0 | 0 | 0 | 112 | H336 S347 I348 D349 | H336-N345 PolarHBondContact CE1-OD1 3.02Å; H336-N345 PolarHBondContact ND1-OD1 3.29Å; N345-S347 VanDerWaalsContact C-N 3.34Å; N345-S347 PolarHBondContact O-N 3.21Å; N345-I348 WeakPolarHBondContact O-CB 3.34Å; N345-I348 PolarHBondContact O-N 2.99Å; N345-D349 PolarHBondContact O-N 3.01Å |
| 346 | E | 95.9 | Very high | 96.3 | Very high | 75 Ų | 75 | 41.4 Ų | 41.4 | 35% | 0.35 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -66.4 | -37.2 | 177.5 | -60.3 | 90.9 | 151.4 | 0 | 0 | 111.7 | A203 N204 T344 I348 D349 L350 | A203-E346 HydrophobicContact CB-CB 3.65Å; N204-E346 PolarHBondContact ND2-OE1 3.49Å; T344-E346 WeakPolarHBondContact CB-OE2 3.28Å; T344-E346 PolarHBondContact O-N 3.04Å; E346-I348 VanDerWaalsContact C-N 3.33Å; E346-D349 PolarHBondContact O-N 3.48Å; E346-L350 WeakPolarHBondContact O-CG 3.18Å; E346-L350 PolarHBondContact O-N 3.31Å |
| 347 | S | 96.6 | Very high | 96.3 | Very high | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.021 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64 | -39.9 | 173.7 | -58.1 | 0 | 0 | 0 | 0 | 111.3 | Y201 A203 T344 N345 L350 L351 | Y201-S347 VanDerWaalsContact O-CB 3.29Å; Y201-S347 WeakPolarHBondContact O-CB 3.36Å; Y201-S347 PolarHBondContact O-OG 2.78Å; A203-S347 PolarHBondContact N-OG 3.15Å; A203-S347 PolarHBondContact O-OG 3.45Å; T344-S347 WeakPolarHBondContact O-CB 3.23Å; T344-S347 PolarHBondContact O-N 3.22Å; T344-S347 VanDerWaalsContact O-N 3.08Å; T344-S347 WeakPolarHBondContact OG1-CB 3.48Å; T344-S347 PolarHBondContact OG1-N 3.31Å; T344-S347 PolarHBondContact OG1-OG 3.42Å; N345-S347 VanDerWaalsContact C-N 3.34Å; N345-S347 PolarHBondContact O-N 3.21Å; S347-L350 PolarHBondContact O-N 3.38Å; S347-L351 PolarHBondContact O-N 3.49Å |
| 348 | I | 97.4 | Very high | 96.4 | Very high | 3 Ų | 3 | 47.4 Ų | 47.4 | 2% | 0.015 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.6 | -40.6 | 173.7 | -68.5 | -57.4 | 0 | 0 | 0 | 111.7 | P198 I334 H336 C343 T344 N345 E346 L350 L351 K352 V362 | P198-I348 HydrophobicContact CG-CD1 3.63Å; I334-I348 HydrophobicContact CG2-CD1 3.91Å; H336-I348 HydrophobicContact CB-CD1 4.15Å; H336-I348 HydrophobicContact CB-CG1 3.88Å; C343-I348 WeakPolarHBondContact SG-CD1 3.16Å; T344-I348 PolarHBondContact O-N 3.06Å; N345-I348 WeakPolarHBondContact O-CB 3.34Å; N345-I348 PolarHBondContact O-N 2.99Å; E346-I348 VanDerWaalsContact C-N 3.33Å; I348-L350 PolarHBondContact O-N 3.02Å; I348-L351 PolarHBondContact O-N 2.88Å; I348-K352 HydrophobicContact CG2-CD 3.69Å; I348-K352 HydrophobicContact CG2-CG 4.31Å; I348-K352 WeakPolarHBondContact O-CB 3.47Å; I348-K352 WeakPolarHBondContact O-CD 3.32Å; I348-K352 VanDerWaalsContact O-CG 3.31Å; I348-K352 WeakPolarHBondContact O-CG 3.31Å; I348-K352 PolarHBondContact O-N 2.89Å; I348-V362 HydrophobicContact CG2-CG1 4.26Å |
| 349 | D | 96.9 | Very high | 96.5 | Very high | 75 Ų | 75 | 48.3 Ų | 48.3 | 40% | 0.401 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -64.5 | -38.9 | 176.8 | -77.3 | -27.8 | 0 | 0 | 0 | 112.3 | N345 E346 K352 Q353 | N345-D349 PolarHBondContact O-N 3.01Å; E346-D349 PolarHBondContact O-N 3.48Å; D349-K352 PolarHBondContact O-N 3.24Å; D349-K352 IonicContact OD1-NZ 3.66Å; D349-K352 PolarHBondContact OD1-NZ 3.41Å; D349-Q353 WeakPolarHBondContact O-CG 3.36Å; D349-Q353 PolarHBondContact O-N 3.07Å |
| 350 | L | 96.4 | Very high | 96.6 | Very high | 52 Ų | 52 | 49 Ų | 49 | 27% | 0.272 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.4 | -43.6 | 171.8 | -69.7 | 174.9 | 0 | 0 | 0 | 111.9 | Y201 A203 E346 S347 I348 Q353 | Y201-L350 HydrophobicContact CG-CB 4.1Å; A203-L350 HydrophobicContact CB-CD1 3.84Å; E346-L350 WeakPolarHBondContact O-CG 3.18Å; E346-L350 PolarHBondContact O-N 3.31Å; S347-L350 PolarHBondContact O-N 3.38Å; I348-L350 PolarHBondContact O-N 3.02Å; L350-Q353 WeakPolarHBondContact O-CB 3.17Å; L350-Q353 PolarHBondContact O-N 3.19Å |
| 351 | L | 97.1 | Very high | 96.7 | Very high | 7 Ų | 7 | 50.5 Ų | 50.5 | 4% | 0.037 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.8 | -45.4 | 176.9 | 177.2 | 58.5 | 0 | 0 | 0 | 111.6 | M177 P198 Y201 L325 I334 S347 I348 Q353 R354 I355 | M177-L351 HydrophobicContact CE-CD1 4.17Å; M177-L351 HydrophobicContact CE-CD2 4.42Å; M177-L351 HydrophobicContact SD-CD1 3.62Å; M177-L351 HydrophobicContact SD-CD2 4.15Å; P198-L351 HydrophobicContact CB-CD2 3.98Å; P198-L351 HydrophobicContact CG-CD2 3.88Å; Y201-L351 HydrophobicContact CD2-CB 4.11Å; Y201-L351 HydrophobicContact CD2-CD1 4.12Å; Y201-L351 HydrophobicContact CE2-CD1 4.09Å; L325-L351 HydrophobicContact CD1-CD1 4.05Å; I334-L351 HydrophobicContact CD1-CD2 4.18Å; S347-L351 PolarHBondContact O-N 3.49Å; I348-L351 PolarHBondContact O-N 2.88Å; L351-Q353 PolarHBondContact O-N 3.32Å; L351-R354 WeakPolarHBondContact O-CB 3.32Å; L351-R354 PolarHBondContact O-N 3.08Å; L351-I355 HydrophobicContact CD1-CD1 3.89Å; L351-I355 HydrophobicContact CD1-CG1 3.98Å; L351-I355 HydrophobicContact CD1-CG2 4.43Å; L351-I355 HydrophobicContact CD2-CD1 4.29Å; L351-I355 HydrophobicContact CG-CD1 3.94Å; L351-I355 HydrophobicContact CG-CG1 4.08Å; L351-I355 PolarHBondContact O-N 3.04Å; L351-I355 VanDerWaalsContact O-N 3.13Å |
| 352 | K | 96.9 | Very high | 96.7 | Very high | 68 Ų | 68 | 51 Ų | 51 | 30% | 0.296 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -56.1 | -39 | 177.9 | -77.8 | 160.1 | 59.6 | -163.1 | 0 | 111.5 | I348 D349 R354 I355 N356 I359 V362 | I348-K352 HydrophobicContact CG2-CD 3.69Å; I348-K352 HydrophobicContact CG2-CG 4.31Å; I348-K352 WeakPolarHBondContact O-CB 3.47Å; I348-K352 WeakPolarHBondContact O-CD 3.32Å; I348-K352 VanDerWaalsContact O-CG 3.31Å; I348-K352 WeakPolarHBondContact O-CG 3.31Å; I348-K352 PolarHBondContact O-N 2.89Å; D349-K352 PolarHBondContact O-N 3.24Å; D349-K352 IonicContact OD1-NZ 3.66Å; D349-K352 PolarHBondContact OD1-NZ 3.41Å; K352-R354 PolarHBondContact O-N 3.16Å; K352-I355 PolarHBondContact O-N 3.32Å; K352-N356 WeakPolarHBondContact O-CA 3.39Å; K352-N356 WeakPolarHBondContact O-CB 3.35Å; K352-N356 PolarHBondContact O-N 3.49Å; K352-I359 HydrophobicContact CB-CD1 4.31Å; K352-I359 HydrophobicContact CG-CD1 3.67Å; K352-V362 HydrophobicContact CD-CG2 4.41Å |
| 353 | Q | 96.2 | Very high | 96.8 | Very high | 124 Ų | 124 | 52.9 Ų | 52.9 | 58% | 0.579 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -60.1 | -19.6 | 176.5 | -69 | 169.1 | 34.5 | 0 | 0 | 113.9 | D349 L350 L351 | D349-Q353 WeakPolarHBondContact O-CG 3.36Å; D349-Q353 PolarHBondContact O-N 3.07Å; L350-Q353 WeakPolarHBondContact O-CB 3.17Å; L350-Q353 PolarHBondContact O-N 3.19Å; L351-Q353 PolarHBondContact O-N 3.32Å |
| 354 | R | 96.3 | Very high | 96.8 | Very high | 124 Ų | 124 | 58.5 Ų | 58.5 | 47% | 0.468 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -99.1 | -40.6 | -178.2 | -57.2 | -68.2 | 179.5 | -116.4 | -0.3 | 112.6 | Y201 L325 L351 K352 | Y201-R354 HydrophobicContact CE2-CG 3.95Å; L325-R354 HydrophobicContact CB-CB 4.33Å; L325-R354 HydrophobicContact CD1-CB 4.35Å; L351-R354 WeakPolarHBondContact O-CB 3.32Å; L351-R354 PolarHBondContact O-N 3.08Å; K352-R354 PolarHBondContact O-N 3.16Å |
| 355 | I | 96.9 | Very high | 96.8 | Very high | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -114.4 | 12 | -173 | 66.9 | 164.6 | 0 | 0 | 0 | 114.5 | M177 L325 F328 T332 I334 L351 K352 K357 T358 I359 | M177-I355 HydrophobicContact SD-CD1 4.4Å; L325-I355 HydrophobicContact CB-CG2 3.94Å; L325-I355 HydrophobicContact CD1-CG2 3.89Å; F328-I355 HydrophobicContact CD1-CB 4.18Å; F328-I355 HydrophobicContact CD1-CG2 3.71Å; F328-I355 HydrophobicContact CE1-CG2 4.35Å; F328-I355 HydrophobicContact CG-CG2 4.37Å; T332-I355 HydrophobicContact CG2-CD1 4.21Å; I334-I355 HydrophobicContact CD1-CD1 4.44Å; L351-I355 HydrophobicContact CD1-CD1 3.89Å; L351-I355 HydrophobicContact CD1-CG1 3.98Å; L351-I355 HydrophobicContact CD1-CG2 4.43Å; L351-I355 HydrophobicContact CD2-CD1 4.29Å; L351-I355 HydrophobicContact CG-CD1 3.94Å; L351-I355 HydrophobicContact CG-CG1 4.08Å; L351-I355 PolarHBondContact O-N 3.04Å; L351-I355 VanDerWaalsContact O-N 3.13Å; K352-I355 PolarHBondContact O-N 3.32Å; I355-K357 PolarHBondContact O-N 3.02Å; I355-T358 PolarHBondContact O-N 3.17Å; I355-T358 PolarHBondContact O-OG1 3.05Å; I355-T358 VanDerWaalsContact O-OG1 3.09Å; I355-I359 HydrophobicContact CD1-CG1 4.35Å; I355-I359 HydrophobicContact CG1-CD1 4.16Å; I355-I359 HydrophobicContact CG1-CG1 4.2Å |
| 356 | N | 96.4 | Very high | 96.7 | Very high | 115 Ų | 115 | 62.3 Ų | 62.3 | 62% | 0.615 | 30% | 0.299 | S | S | * | . | G | 310 helix | trans | -45.8 | -39.7 | -176 | -168.7 | 48.4 | 0 | 0 | 0 | 114 | K352 T358 I359 | K352-N356 WeakPolarHBondContact O-CA 3.39Å; K352-N356 WeakPolarHBondContact O-CB 3.35Å; K352-N356 PolarHBondContact O-N 3.49Å; N356-T358 PolarHBondContact O-N 3.21Å; N356-T358 VanDerWaalsContact O-N 3.11Å; N356-I359 PolarHBondContact O-N 3.09Å |
| 357 | K | 96.8 | Very high | 96.4 | Very high | 132 Ų | 132 | 63 Ų | 63 | 57% | 0.574 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -60.7 | -19.7 | -178.7 | 71.4 | -178.9 | -179.5 | 178.9 | 0 | 114.1 | K326 F328 I355 | K326-K357 PolarHBondContact O-NZ 3.45Å; F328-K357 WeakPolarHBondContact O-CE 3.43Å; I355-K357 PolarHBondContact O-N 3.02Å |
| 358 | T | 97.3 | Very high | 96.4 | Very high | 11 Ų | 11 | 62.9 Ų | 62.9 | 7% | 0.067 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -107.7 | -9.1 | -175.6 | 77.7 | 0 | 0 | 0 | 0 | 113.3 | F328 I330 P331 T332 I355 N356 I360 | F328-T358 HydrophobicContact CD1-CG2 4.11Å; F328-T358 HydrophobicContact CE1-CG2 4.39Å; F328-T358 WeakPolarHBondContact O-CG2 3.38Å; I330-T358 WeakPolarHBondContact O-CB 3.47Å; I330-T358 PolarHBondContact O-OG1 3.21Å; P331-T358 CarbonylContact C-O 3.59Å; P331-T358 WeakPolarHBondContact CA-O 3.42Å; T332-T358 PolarHBondContact N-O 3.27Å; T332-T358 PolarHBondContact OG1-OG1 3.03Å; I355-T358 PolarHBondContact O-N 3.17Å; I355-T358 PolarHBondContact O-OG1 3.05Å; I355-T358 VanDerWaalsContact O-OG1 3.09Å; N356-T358 PolarHBondContact O-N 3.21Å; N356-T358 VanDerWaalsContact O-N 3.11Å; T358-I360 PolarHBondContact O-N 2.91Å |
| 359 | I | 98 | Very high | 96.2 | Very high | 38 Ų | 38 | 62.7 Ų | 62.7 | 20% | 0.195 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 121.9 | -174.2 | -64.4 | 177.9 | 0 | 0 | 0 | 110.2 | T332 I334 K352 I355 N356 V362 | T332-I359 CarbonylContact O-C 3.42Å; T332-I359 WeakPolarHBondContact O-CA 3.41Å; I334-I359 HydrophobicContact CD1-CD1 3.99Å; I334-I359 HydrophobicContact CD1-CG1 4.39Å; K352-I359 HydrophobicContact CB-CD1 4.31Å; K352-I359 HydrophobicContact CG-CD1 3.67Å; I355-I359 HydrophobicContact CD1-CG1 4.35Å; I355-I359 HydrophobicContact CG1-CD1 4.16Å; I355-I359 HydrophobicContact CG1-CG1 4.2Å; N356-I359 PolarHBondContact O-N 3.09Å; I359-V362 HydrophobicContact CD1-CG2 4.45Å; I359-V362 HydrophobicContact CG2-CG2 3.69Å |
| 360 | I | 97.5 | Very high | 96.2 | Very high | 71 Ų | 71 | 59.6 Ų | 59.6 | 36% | 0.364 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | -45.9 | 170 | -59.8 | 156.8 | 0 | 0 | 0 | 110 | L192 P331 T332 V333 T358 Y394 | L192-I360 HydrophobicContact CD1-CD1 3.54Å; P331-I360 HydrophobicContact CB-CD1 3.54Å; P331-I360 HydrophobicContact CB-CG1 4.06Å; T332-I360 PolarHBondContact O-N 2.78Å; V333-I360 HydrophobicContact CG2-CB 4.27Å; V333-I360 HydrophobicContact CG2-CD1 3.99Å; T358-I360 PolarHBondContact O-N 2.91Å; I360-Y394 HydrophobicContact CD1-CE2 4.4Å; I360-Y394 WeakPolarHBondContact CD1-OH 3.43Å |
| 361 | S | 97.4 | Very high | 96.2 | Very high | 35 Ų | 35 | 58.4 Ų | 58.4 | 25% | 0.245 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 152.6 | -179.9 | 58.2 | 0 | 0 | 0 | 0 | 112 | I334 N363 | I334-S361 PolarHBondContact N-O 2.89Å; S361-N363 PolarHBondContact OG-ND2 3.26Å |
| 362 | V | 97.5 | Very high | 96 | Very high | 54 Ų | 54 | 58 Ų | 58 | 33% | 0.327 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 117.8 | 170.1 | -174.7 | 0 | 0 | 0 | 0 | 107 | I334 I348 K352 I359 | I334-V362 HydrophobicContact CB-CG1 4.29Å; I334-V362 HydrophobicContact CB-CG2 4.41Å; I334-V362 HydrophobicContact CD1-CG2 4.43Å; I334-V362 HydrophobicContact CG2-CG1 4.25Å; I348-V362 HydrophobicContact CG2-CG1 4.26Å; K352-V362 HydrophobicContact CD-CG2 4.41Å; I359-V362 HydrophobicContact CD1-CG2 4.45Å; I359-V362 HydrophobicContact CG2-CG2 3.69Å |
| 363 | N | 97.5 | Very high | 95.9 | Very high | 51 Ų | 51 | 54.8 Ų | 54.8 | 27% | 0.273 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 116.2 | -172.5 | -56.7 | -83.1 | 0 | 0 | 0 | 108.7 | I334 Y335 H336 S361 | I334-N363 PolarHBondContact O-N 3.44Å; I334-N363 PolarHBondContact O-ND2 3.17Å; I334-N363 VanDerWaalsContact O-ND2 3.1Å; Y335-N363 VanDerWaalsContact CA-O 3.3Å; Y335-N363 WeakPolarHBondContact CA-O 3.43Å; Y335-N363 HydrophobicContact CD1-CB 3.44Å; Y335-N363 VanDerWaalsContact CD1-CB 3.44Å; Y335-N363 HydrophobicContact CE1-CB 3.56Å; Y335-N363 HydrophobicContact CG-CB 4.05Å; H336-N363 PolarHBondContact N-O 3.2Å; S361-N363 PolarHBondContact OG-ND2 3.26Å |
| 364 | Y | 96.7 | Very high | 95.8 | Very high | 118 Ų | 118 | 49.1 Ų | 49.1 | 46% | 0.463 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 133.1 | 180 | 176.4 | -104.2 | 0 | 0 | 0 | 110.7 | H336 G338 E366 | H336-Y364 AromaticContact CE1-CD2 3.41Å; H336-Y364 VanDerWaalsContact CE1-CD2 3.41Å; H336-Y364 WeakPolarHBondContact CE1-CD2 3.42Å; H336-Y364 AromaticContact ND1-CD2 3.78Å; H336-Y364 AromaticContact NE2-CD2 3.81Å; H336-Y364 WeakPolarHBondContact O-CA 3.48Å; G338-Y364 VanDerWaalsContact CA-CE2 3.46Å; G338-Y364 WeakPolarHBondContact CA-OH 3.44Å; Y364-E366 HydrophobicContact CE1-CB 3.83Å; Y364-E366 HydrophobicContact CE1-CG 4.28Å |
| 365 | I | 95.1 | Very high | 95.6 | Very high | 20 Ų | 20 | 44.1 Ų | 44.1 | 10% | 0.103 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 102.8 | 177.1 | -49.2 | 177.8 | 0 | 0 | 0 | 108.9 | Y335 H336 G337 G338 N367 Y368 L382 I383 | Y335-I365 HydrophobicContact CD1-CD1 4.26Å; H336-I365 PolarHBondContact O-N 2.98Å; G337-I365 CarbonylContact C-O 3.57Å; G337-I365 VanDerWaalsContact CA-O 3.28Å; G337-I365 WeakPolarHBondContact CA-O 3.24Å; G338-I365 PolarHBondContact N-O 3.24Å; I365-N367 VanDerWaalsContact C-N 3.33Å; I365-N367 PolarHBondContact O-N 3.49Å; I365-Y368 HydrophobicContact CB-CD1 4.39Å; I365-Y368 HydrophobicContact CB-CD2 4.29Å; I365-Y368 HydrophobicContact CB-CG 3.99Å; I365-Y368 HydrophobicContact CD1-CD2 3.83Å; I365-Y368 HydrophobicContact CD1-CE2 3.94Å; I365-Y368 HydrophobicContact CD1-CG 4.37Å; I365-Y368 HydrophobicContact CG2-CD1 3.48Å; I365-Y368 VanDerWaalsContact CG2-CD1 3.48Å; I365-Y368 HydrophobicContact CG2-CD2 4.09Å; I365-Y368 HydrophobicContact CG2-CE1 3.92Å; I365-Y368 HydrophobicContact CG2-CE2 4.47Å; I365-Y368 HydrophobicContact CG2-CG 3.57Å; I365-Y368 PolarHBondContact O-N 2.77Å; I365-L382 HydrophobicContact CG2-CD1 4.1Å; I365-I383 HydrophobicContact CD1-CD1 3.5Å; I365-I383 HydrophobicContact CD1-CG1 3.5Å; I365-I383 VanDerWaalsContact CD1-CG1 3.5Å |
| 366 | E | 93.1 | Very high | 95.4 | Very high | 132 Ų | 132 | 44.1 Ų | 44.1 | 62% | 0.617 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.3 | -46.5 | -168.4 | -172.5 | 174.1 | -171.3 | 0 | 0 | 114 | G338 N339 Y364 | G338-E366 CarbonylContact C-O 3.53Å; G338-E366 WeakPolarHBondContact CA-O 3.31Å; G338-E366 PolarHBondContact N-O 2.94Å; N339-E366 PolarHBondContact N-O 3.3Å; Y364-E366 HydrophobicContact CE1-CB 3.83Å; Y364-E366 HydrophobicContact CE1-CG 4.28Å |
| 367 | N | 91.3 | Very high | 95.2 | Very high | 88 Ų | 88 | 41.1 Ų | 41.1 | 47% | 0.471 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 6.9 | -172.3 | -65 | -42.7 | 0 | 0 | 0 | 114.8 | D264 I365 | D264-N367 CarbonylContact C-O 3.55Å; I365-N367 VanDerWaalsContact C-N 3.33Å; I365-N367 PolarHBondContact O-N 3.49Å |
| 368 | Y | 94.9 | Very high | 95 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 0% | 0.004 | 19% | 0.187 | C | C | . | . | trans | -84.5 | 133.1 | 179.8 | -87.3 | 26 | 0 | 0 | 0 | 111 | G337 G338 N339 D340 I365 G372 Y373 S376 N378 A379 L382 I383 | G337-Y368 CarbonylContact C-O 3.55Å; G337-Y368 VanDerWaalsContact CA-O 3.28Å; G337-Y368 WeakPolarHBondContact CA-O 3.26Å; G338-Y368 PolarHBondContact N-O 3.35Å; N339-Y368 CarbonylContact C-O 3.58Å; N339-Y368 WeakPolarHBondContact CA-O 3.29Å; N339-Y368 PolarHBondContact N-O 3.13Å; D340-Y368 PolarHBondContact N-O 3.07Å; I365-Y368 HydrophobicContact CB-CD1 4.39Å; I365-Y368 HydrophobicContact CB-CD2 4.29Å; I365-Y368 HydrophobicContact CB-CG 3.99Å; I365-Y368 HydrophobicContact CD1-CD2 3.83Å; I365-Y368 HydrophobicContact CD1-CE2 3.94Å; I365-Y368 HydrophobicContact CD1-CG 4.37Å; I365-Y368 HydrophobicContact CG2-CD1 3.48Å; I365-Y368 VanDerWaalsContact CG2-CD1 3.48Å; I365-Y368 HydrophobicContact CG2-CD2 4.09Å; I365-Y368 HydrophobicContact CG2-CE1 3.92Å; I365-Y368 HydrophobicContact CG2-CE2 4.47Å; I365-Y368 HydrophobicContact CG2-CG 3.57Å; I365-Y368 PolarHBondContact O-N 2.77Å; Y368-G372 VanDerWaalsContact CE2-C 3.41Å; Y368-G372 VanDerWaalsContact CE2-O 3.24Å; Y368-G372 WeakPolarHBondContact CE2-O 3.38Å; Y368-Y373 HydrophobicContact CD2-CD1 4.16Å; Y368-Y373 HydrophobicContact CD2-CE1 4.39Å; Y368-S376 WeakPolarHBondContact OH-CB 3.37Å; Y368-N378 WeakPolarHBondContact CE1-OD1 3.16Å; Y368-N378 PolarHBondContact OH-OD1 2.9Å; Y368-A379 WeakPolarHBondContact OH-CA 3.45Å; Y368-A379 PolarHBondContact OH-N 3.38Å; Y368-A379 VanDerWaalsContact OH-N 3.17Å; Y368-L382 HydrophobicContact CE1-CD1 3.91Å; Y368-I383 HydrophobicContact CD2-CD1 4.28Å; Y368-I383 HydrophobicContact CE2-CD1 3.65Å; Y368-I383 HydrophobicContact CE2-CG1 4.49Å | ||
| 369 | N | 94.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | trans | -86.6 | -172.3 | 163.9 | 77.4 | -2.6 | 0 | 0 | 0 | 110.6 | A261 G262 D264 L371 G372 | A261-N369 WeakPolarHBondContact O-CB 3.42Å; G262-N369 VanDerWaalsContact C-CB 3.4Å; G262-N369 WeakPolarHBondContact O-CB 3.13Å; G262-N369 PolarHBondContact O-ND2 3.01Å; D264-N369 HydrophobicContact CB-CB 4.36Å; N369-L371 PolarHBondContact O-N 2.82Å; N369-L371 PolarHBondContact OD1-N 2.71Å; N369-G372 PolarHBondContact O-N 2.71Å; N369-G372 PolarHBondContact OD1-N 3.48Å | ||
| 370 | H | 96.6 | Very high | 94.8 | Very high | 9 Ų | 9 | 36 Ų | 36 | 4% | 0.042 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -22.1 | -179.7 | -157.7 | 57 | 0 | 0 | 0 | 114.8 | F169 S170 G197 A261 D340 L342 Y373 | F169-H370 WeakPolarHBondContact CE2-O 3.29Å; F169-H370 AromaticContact CZ-CD2 3.64Å; F169-H370 AromaticContact CZ-NE2 3.75Å; F169-H370 WeakPolarHBondContact CZ-O 3.43Å; S170-H370 WeakPolarHBondContact CB-NE2 3.49Å; S170-H370 PolarHBondContact OG-CE1 3.32Å; S170-H370 PolarHBondContact OG-NE2 3.26Å; G197-H370 PolarHBondContact O-CE1 3.49Å; A261-H370 HydrophobicContact CB-CB 3.82Å; A261-H370 PolarHBondContact O-N 3.36Å; D340-H370 WeakPolarHBondContact OD1-CB 3.29Å; D340-H370 IonicContact OD1-CE1 3.26Å; D340-H370 IonicContact OD1-CG 3.55Å; D340-H370 IonicContact OD1-ND1 2.71Å; D340-H370 PolarHBondContact OD1-ND1 3.44Å; D340-H370 WeakPolarHBondContact OD2-CA 3.38Å; D340-H370 IonicContact OD2-CE1 2.81Å; D340-H370 IonicContact OD2-CG 2.71Å; D340-H370 IonicContact OD2-ND1 3.8Å; D340-H370 PolarHBondContact OD2-ND1 2.91Å; L342-H370 HydrophobicContact CD1-CB 4.29Å; H370-Y373 WeakPolarHBondContact O-CD2 3.47Å; H370-Y373 WeakPolarHBondContact O-CE2 3.2Å |
| 371 | L | 95.2 | Very high | 94.6 | Very high | 27 Ų | 27 | 38.6 Ų | 38.6 | 14% | 0.141 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | -8.7 | -175.2 | -58.8 | 171.8 | 0 | 0 | 0 | 112.9 | F169 I257 A261 N369 Y373 F374 W375 | F169-L371 HydrophobicContact CE1-CD2 4.34Å; F169-L371 HydrophobicContact CZ-CD2 4.11Å; I257-L371 HydrophobicContact CG2-CD1 3.48Å; I257-L371 VanDerWaalsContact CG2-CD1 3.48Å; A261-L371 HydrophobicContact CB-CD1 3.91Å; A261-L371 HydrophobicContact CB-CG 3.9Å; N369-L371 PolarHBondContact O-N 2.82Å; N369-L371 PolarHBondContact OD1-N 2.71Å; L371-Y373 PolarHBondContact O-N 3.45Å; L371-Y373 VanDerWaalsContact O-N 3.09Å; L371-F374 HydrophobicContact CD2-CZ 3.81Å; L371-F374 PolarHBondContact O-N 3.48Å; L371-W375 HydrophobicContact CB-CD2 3.94Å; L371-W375 HydrophobicContact CB-CE3 3.96Å; L371-W375 HydrophobicContact CB-CG 4.26Å; L371-W375 HydrophobicContact CD1-CD2 4.27Å; L371-W375 HydrophobicContact CD1-CE3 3.76Å; L371-W375 HydrophobicContact CD1-CH2 3.61Å; L371-W375 HydrophobicContact CD1-CZ2 4.09Å; L371-W375 HydrophobicContact CD1-CZ3 3.44Å; L371-W375 VanDerWaalsContact CD1-CZ3 3.44Å; L371-W375 HydrophobicContact CG-CE3 4.46Å; L371-W375 WeakPolarHBondContact O-CB 3.31Å; L371-W375 PolarHBondContact O-N 3.2Å |
| 372 | G | 94 | Very high | 94.5 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.3 | -23.6 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y368 N369 F374 S376 | Y368-G372 VanDerWaalsContact CE2-C 3.41Å; Y368-G372 VanDerWaalsContact CE2-O 3.24Å; Y368-G372 WeakPolarHBondContact CE2-O 3.38Å; N369-G372 PolarHBondContact O-N 2.71Å; N369-G372 PolarHBondContact OD1-N 3.48Å; G372-F374 PolarHBondContact O-N 3.13Å; G372-S376 WeakPolarHBondContact CA-OG 3.25Å; G372-S376 WeakPolarHBondContact O-CB 3.39Å; G372-S376 PolarHBondContact O-N 3.3Å; G372-S376 PolarHBondContact O-OG 3.2Å; G372-S376 VanDerWaalsContact O-OG 3.04Å |
| 373 | Y | 95 | Very high | 94.5 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63 | -16.7 | -179.5 | -42.8 | -81.9 | 0 | 0 | 0 | 114.5 | F169 F196 G197 H336 G337 D340 Y368 H370 L371 I383 Y384 | F169-Y373 HydrophobicContact CD2-CD2 4.01Å; F169-Y373 AromaticContact CE2-CD2 3.81Å; F169-Y373 HydrophobicContact CE2-CD2 3.81Å; F169-Y373 HydrophobicContact CE2-CE2 4.11Å; F196-Y373 HydrophobicContact CB-CD1 4.04Å; F196-Y373 HydrophobicContact CB-CD2 4.13Å; F196-Y373 HydrophobicContact CB-CG 3.75Å; F196-Y373 HydrophobicContact CD1-CD1 4.4Å; F196-Y373 HydrophobicContact CG-CD1 4.33Å; F196-Y373 HydrophobicContact CG-CG 4.2Å; G197-Y373 WeakPolarHBondContact CA-OH 3.47Å; H336-Y373 VanDerWaalsContact CA-OH 3.3Å; H336-Y373 WeakPolarHBondContact CA-OH 3.27Å; G337-Y373 PolarHBondContact N-OH 2.95Å; D340-Y373 PolarHBondContact OD2-OH 3.13Å; Y368-Y373 HydrophobicContact CD2-CD1 4.16Å; Y368-Y373 HydrophobicContact CD2-CE1 4.39Å; H370-Y373 WeakPolarHBondContact O-CD2 3.47Å; H370-Y373 WeakPolarHBondContact O-CE2 3.2Å; L371-Y373 PolarHBondContact O-N 3.45Å; L371-Y373 VanDerWaalsContact O-N 3.09Å; Y373-I383 HydrophobicContact CD1-CD1 4.03Å; Y373-Y384 WeakPolarHBondContact O-CE1 3.39Å; Y373-Y384 PolarHBondContact O-OH 3.36Å |
| 374 | F | 92.6 | Very high | 94.4 | Very high | 4 Ų | 4 | 36.1 Ų | 36.1 | 2% | 0.018 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -139.7 | -17.8 | 177.5 | 53.6 | -81.6 | 0 | 0 | 0 | 114.6 | A90 N94 F169 L371 G372 Y384 | A90-F374 HydrophobicContact CB-CD2 3.86Å; A90-F374 HydrophobicContact CB-CE2 3.84Å; A90-F374 WeakPolarHBondContact O-CD2 3.19Å; N94-F374 PolarHBondContact ND2-O 3.01Å; F169-F374 HydrophobicContact CD1-CD1 4.39Å; F169-F374 AromaticContact CD1-CE1 3.39Å; F169-F374 HydrophobicContact CD1-CE1 3.39Å; F169-F374 AromaticContact CD1-CZ 3.72Å; F169-F374 HydrophobicContact CD1-CZ 3.72Å; F169-F374 HydrophobicContact CD2-CD1 4.43Å; F169-F374 AromaticContact CD2-CE1 3.75Å; F169-F374 HydrophobicContact CD2-CE1 3.75Å; F169-F374 AromaticContact CE1-CE1 3.39Å; F169-F374 HydrophobicContact CE1-CE1 3.39Å; F169-F374 AromaticContact CE1-CZ 3.45Å; F169-F374 HydrophobicContact CE1-CZ 3.45Å; F169-F374 VanDerWaalsContact CE1-CZ 3.45Å; F169-F374 AromaticContact CE2-CE1 3.78Å; F169-F374 HydrophobicContact CE2-CE1 3.78Å; F169-F374 HydrophobicContact CG-CD1 4.29Å; F169-F374 AromaticContact CG-CE1 3.6Å; F169-F374 HydrophobicContact CG-CE1 3.6Å; F169-F374 HydrophobicContact CG-CZ 4.38Å; F169-F374 AromaticContact CZ-CE1 3.59Å; F169-F374 HydrophobicContact CZ-CE1 3.59Å; F169-F374 AromaticContact CZ-CZ 3.92Å; F169-F374 HydrophobicContact CZ-CZ 3.92Å; L371-F374 HydrophobicContact CD2-CZ 3.81Å; L371-F374 PolarHBondContact O-N 3.48Å; G372-F374 PolarHBondContact O-N 3.13Å; F374-Y384 WeakPolarHBondContact CA-OH 3.41Å |
| 375 | W | 92 | Very high | 94.4 | Very high | 19 Ų | 19 | 32.4 Ų | 32.4 | 7% | 0.072 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -90.1 | -30.5 | 175 | -71.7 | 7.6 | 0 | 0 | 0 | 113.8 | N94 I257 T268 L273 T276 L371 | N94-W375 PolarHBondContact ND2-O 3.35Å; I257-W375 HydrophobicContact CD1-CH2 4.12Å; I257-W375 HydrophobicContact CD1-CZ3 3.72Å; I257-W375 HydrophobicContact CG1-CZ3 4.41Å; I257-W375 HydrophobicContact CG2-CZ3 4Å; T268-W375 HydrophobicContact CG2-CB 4.45Å; T268-W375 HydrophobicContact CG2-CE3 4.28Å; L273-W375 HydrophobicContact CD1-CZ3 4.45Å; T276-W375 HydrophobicContact CG2-CD2 4.19Å; T276-W375 VanDerWaalsContact CG2-CE2 3.42Å; T276-W375 HydrophobicContact CG2-CH2 3.61Å; T276-W375 HydrophobicContact CG2-CZ2 3.14Å; T276-W375 HydrophobicContact CG2-CZ3 4.29Å; L371-W375 HydrophobicContact CB-CD2 3.94Å; L371-W375 HydrophobicContact CB-CE3 3.96Å; L371-W375 HydrophobicContact CB-CG 4.26Å; L371-W375 HydrophobicContact CD1-CD2 4.27Å; L371-W375 HydrophobicContact CD1-CE3 3.76Å; L371-W375 HydrophobicContact CD1-CH2 3.61Å; L371-W375 HydrophobicContact CD1-CZ2 4.09Å; L371-W375 HydrophobicContact CD1-CZ3 3.44Å; L371-W375 VanDerWaalsContact CD1-CZ3 3.44Å; L371-W375 HydrophobicContact CG-CE3 4.46Å; L371-W375 WeakPolarHBondContact O-CB 3.31Å; L371-W375 PolarHBondContact O-N 3.2Å |
| 376 | S | 93.1 | Very high | 94.4 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.007 | 18% | 0.181 | C | C | . | . | B | Isolated β-bridge | trans | -69.2 | 133.2 | -175.1 | -57.3 | 0 | 0 | 0 | 0 | 112 | D264 N267 Y368 G372 N378 A379 | D264-S376 VanDerWaalsContact CG-OG 3.31Å; D264-S376 PolarHBondContact OD1-OG 3.11Å; D264-S376 PolarHBondContact OD2-OG 3.32Å; N267-S376 WeakPolarHBondContact O-CA 3.38Å; Y368-S376 WeakPolarHBondContact OH-CB 3.37Å; G372-S376 WeakPolarHBondContact CA-OG 3.25Å; G372-S376 WeakPolarHBondContact O-CB 3.39Å; G372-S376 PolarHBondContact O-N 3.3Å; G372-S376 PolarHBondContact O-OG 3.2Å; G372-S376 VanDerWaalsContact O-OG 3.04Å; S376-N378 WeakPolarHBondContact CB-OD1 3.45Å; S376-N378 PolarHBondContact O-N 2.96Å; S376-A379 WeakPolarHBondContact O-CB 3.38Å; S376-A379 PolarHBondContact O-N 3.5Å |
| 377 | T | 92.3 | Very high | 94.5 | Very high | 52 Ų | 52 | 27.1 Ų | 27.1 | 32% | 0.319 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -18.5 | -178.5 | 54.7 | 0 | 0 | 0 | 0 | 113.9 | N267 N269 | N267-T377 PolarHBondContact O-N 3.05Å; N267-T377 PolarHBondContact O-OG1 3.1Å; N269-T377 HydrophobicContact CB-CG2 3.68Å |
| 378 | N | 93.8 | Very high | 94.7 | Very high | 39 Ų | 39 | 23.4 Ų | 23.4 | 21% | 0.209 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | 6 | 179.1 | 63.6 | 1.1 | 0 | 0 | 0 | 113.6 | N267 Y368 S376 V380 D381 L382 | N267-N378 PolarHBondContact OD1-ND2 2.67Å; Y368-N378 WeakPolarHBondContact CE1-OD1 3.16Å; Y368-N378 PolarHBondContact OH-OD1 2.9Å; S376-N378 WeakPolarHBondContact CB-OD1 3.45Å; S376-N378 PolarHBondContact O-N 2.96Å; N378-V380 PolarHBondContact O-N 3.33Å; N378-V380 VanDerWaalsContact O-N 3.17Å; N378-D381 PolarHBondContact O-N 2.82Å; N378-D381 VanDerWaalsContact O-N 3.12Å; N378-L382 PolarHBondContact O-N 3.46Å; N378-L382 VanDerWaalsContact O-N 3.1Å |
| 379 | A | 95.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.1 | -26.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y368 S376 I383 Y384 | Y368-A379 WeakPolarHBondContact OH-CA 3.45Å; Y368-A379 PolarHBondContact OH-N 3.38Å; Y368-A379 VanDerWaalsContact OH-N 3.17Å; S376-A379 WeakPolarHBondContact O-CB 3.38Å; S376-A379 PolarHBondContact O-N 3.5Å; A379-I383 CarbonylContact O-C 3.48Å; A379-I383 WeakPolarHBondContact O-CA 3.31Å; A379-I383 WeakPolarHBondContact O-CB 3.18Å; A379-I383 PolarHBondContact O-N 2.85Å; A379-Y384 HydrophobicContact CB-CD2 4.45Å; A379-Y384 HydrophobicContact CB-CE1 3.99Å; A379-Y384 HydrophobicContact CB-CE2 3.84Å; A379-Y384 PolarHBondContact O-N 3.11Å |
| 380 | V | 94.6 | Very high | 94.7 | Very high | 34 Ų | 34 | 32.2 Ų | 32.2 | 21% | 0.206 | 17% | 0.168 | C | C | . | . | I | π-helix | trans | -60.4 | -48 | 174.8 | -175 | 0 | 0 | 0 | 0 | 111.8 | N97 Q98 I103 N378 Y384 S385 | N97-V380 WeakPolarHBondContact O-CG2 3.23Å; Q98-V380 HydrophobicContact CG-CG2 4.4Å; I103-V380 HydrophobicContact CD1-CG2 3.95Å; N378-V380 PolarHBondContact O-N 3.33Å; N378-V380 VanDerWaalsContact O-N 3.17Å; V380-Y384 HydrophobicContact CB-CD2 4.39Å; V380-Y384 HydrophobicContact CG2-CD2 4Å; V380-Y384 HydrophobicContact CG2-CE2 4.46Å; V380-Y384 PolarHBondContact O-N 3.12Å; V380-S385 WeakPolarHBondContact O-CB 3.31Å; V380-S385 PolarHBondContact O-N 2.94Å; V380-S385 PolarHBondContact O-OG 2.92Å |
| 381 | D | 94.2 | Very high | 94.6 | Very high | 126 Ų | 126 | 31.8 Ų | 31.8 | 67% | 0.674 | 17% | 0.166 | S | C | * | . | I | π-helix | trans | -76.7 | -40.8 | -175.7 | -61.9 | -38.5 | 0 | 0 | 0 | 111.2 | N378 | N378-D381 PolarHBondContact O-N 2.82Å; N378-D381 VanDerWaalsContact O-N 3.12Å |
| 382 | L | 94.6 | Very high | 94.4 | Very high | 87 Ų | 87 | 35.8 Ų | 35.8 | 46% | 0.455 | 18% | 0.183 | S | C | . | . | I | π-helix | trans | -84.3 | -30.4 | -174.2 | -61.8 | -178.7 | 0 | 0 | 0 | 113.6 | I365 Y368 N378 | I365-L382 HydrophobicContact CG2-CD1 4.1Å; Y368-L382 HydrophobicContact CE1-CD1 3.91Å; N378-L382 PolarHBondContact O-N 3.46Å; N378-L382 VanDerWaalsContact O-N 3.1Å |
| 383 | I | 96.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | I | π-helix | trans | -126 | -61.4 | -172.2 | -55 | 178.6 | 0 | 0 | 0 | 111.3 | F196 Y335 I365 Y368 Y373 A379 S385 S386 L387 | F196-I383 HydrophobicContact CE1-CG2 3.76Å; F196-I383 HydrophobicContact CZ-CG2 3.86Å; Y335-I383 HydrophobicContact CD1-CD1 4.37Å; Y335-I383 HydrophobicContact CD1-CG1 4.11Å; Y335-I383 HydrophobicContact CD1-CG2 4.12Å; Y335-I383 HydrophobicContact CE1-CB 4.37Å; Y335-I383 HydrophobicContact CE1-CG1 4.21Å; Y335-I383 HydrophobicContact CE1-CG2 3.82Å; Y335-I383 HydrophobicContact CE2-CG2 4.31Å; I365-I383 HydrophobicContact CD1-CD1 3.5Å; I365-I383 HydrophobicContact CD1-CG1 3.5Å; I365-I383 VanDerWaalsContact CD1-CG1 3.5Å; Y368-I383 HydrophobicContact CD2-CD1 4.28Å; Y368-I383 HydrophobicContact CE2-CD1 3.65Å; Y368-I383 HydrophobicContact CE2-CG1 4.49Å; Y373-I383 HydrophobicContact CD1-CD1 4.03Å; A379-I383 CarbonylContact O-C 3.48Å; A379-I383 WeakPolarHBondContact O-CA 3.31Å; A379-I383 WeakPolarHBondContact O-CB 3.18Å; A379-I383 PolarHBondContact O-N 2.85Å; I383-S385 VanDerWaalsContact C-N 3.33Å; I383-S385 PolarHBondContact O-N 2.69Å; I383-S386 PolarHBondContact O-N 2.91Å; I383-S386 PolarHBondContact O-OG 2.79Å; I383-L387 VanDerWaalsContact O-CB 3.23Å; I383-L387 WeakPolarHBondContact O-CB 3.31Å; I383-L387 PolarHBondContact O-N 2.78Å |
| 384 | Y | 97.2 | Very high | 94.1 | Very high | 1 Ų | 1 | 46.2 Ų | 46.2 | 0% | 0.004 | 23% | 0.228 | C | C | . | . | I | π-helix | trans | -67.4 | -35.9 | -160 | -53.3 | -22 | 0 | 0 | 0 | 112.6 | L100 I103 Y373 F374 A379 V380 S386 L387 L388 | L100-Y384 HydrophobicContact CB-CE1 4.17Å; L100-Y384 HydrophobicContact CB-CE2 4.05Å; L100-Y384 HydrophobicContact CD1-CD1 3.76Å; L100-Y384 HydrophobicContact CD1-CD2 4.3Å; L100-Y384 HydrophobicContact CD1-CE1 4.06Å; L100-Y384 HydrophobicContact CD1-CG 3.9Å; L100-Y384 HydrophobicContact CD2-CE1 4.24Å; L100-Y384 HydrophobicContact CG-CE1 4.39Å; I103-Y384 HydrophobicContact CD1-CD2 3.57Å; I103-Y384 HydrophobicContact CD1-CE2 4.15Å; Y373-Y384 WeakPolarHBondContact O-CE1 3.39Å; Y373-Y384 PolarHBondContact O-OH 3.36Å; F374-Y384 WeakPolarHBondContact CA-OH 3.41Å; A379-Y384 HydrophobicContact CB-CD2 4.45Å; A379-Y384 HydrophobicContact CB-CE1 3.99Å; A379-Y384 HydrophobicContact CB-CE2 3.84Å; A379-Y384 PolarHBondContact O-N 3.11Å; V380-Y384 HydrophobicContact CB-CD2 4.39Å; V380-Y384 HydrophobicContact CG2-CD2 4Å; V380-Y384 HydrophobicContact CG2-CE2 4.46Å; V380-Y384 PolarHBondContact O-N 3.12Å; Y384-S386 PolarHBondContact O-N 2.74Å; Y384-L387 WeakPolarHBondContact O-CB 3.29Å; Y384-L387 PolarHBondContact O-N 3Å; Y384-L388 WeakPolarHBondContact O-CB 3.4Å; Y384-L388 VanDerWaalsContact O-CG 3.24Å; Y384-L388 WeakPolarHBondContact O-CG 3.29Å; Y384-L388 PolarHBondContact O-N 2.82Å |
| 385 | S | 95.3 | Very high | 93.4 | Very high | 41 Ų | 41 | 47.3 Ų | 47.3 | 29% | 0.287 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.6 | -43.4 | 177.9 | -64.1 | 0 | 0 | 0 | 0 | 112.9 | V380 I383 R389 | V380-S385 WeakPolarHBondContact O-CB 3.31Å; V380-S385 PolarHBondContact O-N 2.94Å; V380-S385 PolarHBondContact O-OG 2.92Å; I383-S385 VanDerWaalsContact C-N 3.33Å; I383-S385 PolarHBondContact O-N 2.69Å; S385-R389 PolarHBondContact O-NH1 3.28Å; S385-R389 VanDerWaalsContact O-NH1 3.11Å |
| 386 | S | 94.7 | Very high | 91.7 | Very high | 41 Ų | 41 | 57.4 Ų | 57.4 | 29% | 0.287 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -74.5 | -36.1 | 177.2 | 59.1 | 0 | 0 | 0 | 0 | 111.6 | I383 Y384 R389 L390 | I383-S386 PolarHBondContact O-N 2.91Å; I383-S386 PolarHBondContact O-OG 2.79Å; Y384-S386 PolarHBondContact O-N 2.74Å; S386-R389 PolarHBondContact O-N 3.34Å; S386-L390 PolarHBondContact O-N 2.85Å; S386-L390 VanDerWaalsContact O-N 3.07Å |
| 387 | L | 96.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.6 | -49.2 | 175.3 | -174.8 | 69.2 | 0 | 0 | 0 | 112.3 | L100 I167 I194 F196 Y335 I383 Y384 R389 L390 M391 | L100-L387 HydrophobicContact CD1-CD2 4.18Å; I167-L387 HydrophobicContact CD1-CD2 4.07Å; I194-L387 HydrophobicContact CB-CD1 4.33Å; I194-L387 HydrophobicContact CD1-CD1 3.53Å; I194-L387 HydrophobicContact CD1-CG 4.42Å; I194-L387 HydrophobicContact CG1-CD1 3.65Å; I194-L387 HydrophobicContact CG2-CD1 3.83Å; F196-L387 HydrophobicContact CZ-CD2 3.95Å; Y335-L387 HydrophobicContact CE2-CD1 4.3Å; I383-L387 VanDerWaalsContact O-CB 3.23Å; I383-L387 WeakPolarHBondContact O-CB 3.31Å; I383-L387 PolarHBondContact O-N 2.78Å; Y384-L387 WeakPolarHBondContact O-CB 3.29Å; Y384-L387 PolarHBondContact O-N 3Å; L387-R389 VanDerWaalsContact C-N 3.33Å; L387-R389 PolarHBondContact O-N 3.36Å; L387-L390 WeakPolarHBondContact O-CB 3.34Å; L387-L390 PolarHBondContact O-N 2.92Å; L387-L390 VanDerWaalsContact O-N 3.08Å; L387-M391 HydrophobicContact CD1-CG 4.43Å; L387-M391 PolarHBondContact O-N 2.86Å; L387-M391 WeakPolarHBondContact O-CG 3.31Å; L387-M391 HydrophobicContact CG-SD 3.9Å; L387-M391 HydrophobicContact CD2-SD 4.32Å; L387-M391 HydrophobicContact CD1-SD 4.42Å; L387-M391 HydrophobicContact CG-CG 4.31Å |
| 388 | L | 95.4 | Very high | 91.6 | Very high | 10 Ų | 10 | 60.6 Ų | 60.6 | 5% | 0.052 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -58.7 | -44.1 | 179.6 | -73.4 | 165.3 | 0 | 0 | 0 | 111.9 | I103 L104 Y107 Y109 Y384 L390 M391 E392 | I103-L388 HydrophobicContact CG2-CD1 3.76Å; L104-L388 HydrophobicContact CD2-CD2 3.76Å; Y107-L388 HydrophobicContact CD1-CD1 4.04Å; Y107-L388 HydrophobicContact CD1-CD2 4.2Å; Y107-L388 HydrophobicContact CD1-CG 4.5Å; Y107-L388 HydrophobicContact CD2-CD1 3.74Å; Y107-L388 HydrophobicContact CD2-CD2 4.35Å; Y107-L388 HydrophobicContact CE1-CD1 3.99Å; Y107-L388 HydrophobicContact CE2-CD1 3.67Å; Y107-L388 HydrophobicContact CG-CD1 3.91Å; Y107-L388 HydrophobicContact CG-CD2 3.89Å; Y107-L388 HydrophobicContact CG-CG 4.46Å; Y109-L388 HydrophobicContact CE2-CD2 4.12Å; Y384-L388 WeakPolarHBondContact O-CB 3.4Å; Y384-L388 VanDerWaalsContact O-CG 3.24Å; Y384-L388 WeakPolarHBondContact O-CG 3.29Å; Y384-L388 PolarHBondContact O-N 2.82Å; L388-L390 VanDerWaalsContact C-N 3.28Å; L388-L390 PolarHBondContact O-N 2.95Å; L388-M391 PolarHBondContact O-N 3Å; L388-E392 PolarHBondContact O-N 2.72Å |
| 389 | R | 94.4 | Very high | 91.5 | Very high | 153 Ų | 153 | 61.8 Ų | 61.8 | 58% | 0.577 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -63.4 | -33.8 | 176.2 | -69.2 | -170.8 | -63.3 | -91.2 | 6.3 | 112.6 | S385 S386 L387 | S385-R389 PolarHBondContact O-NH1 3.28Å; S385-R389 VanDerWaalsContact O-NH1 3.11Å; S386-R389 PolarHBondContact O-N 3.34Å; L387-R389 VanDerWaalsContact C-N 3.33Å; L387-R389 PolarHBondContact O-N 3.36Å |
| 390 | L | 94.8 | Very high | 91.3 | Very high | 33 Ų | 33 | 65.5 Ų | 65.5 | 17% | 0.173 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -72.9 | -49.1 | 176.2 | 178.5 | 61.6 | 0 | 0 | 0 | 110.9 | L192 V333 S386 L387 L388 E392 K393 Y394 | L192-L390 HydrophobicContact CD2-CG 4.46Å; V333-L390 HydrophobicContact CB-CD2 4.49Å; V333-L390 HydrophobicContact CG1-CD2 4.41Å; V333-L390 HydrophobicContact CG2-CD2 3.43Å; V333-L390 VanDerWaalsContact CG2-CD2 3.43Å; S386-L390 PolarHBondContact O-N 2.85Å; S386-L390 VanDerWaalsContact O-N 3.07Å; L387-L390 WeakPolarHBondContact O-CB 3.34Å; L387-L390 PolarHBondContact O-N 2.92Å; L387-L390 VanDerWaalsContact O-N 3.08Å; L388-L390 VanDerWaalsContact C-N 3.28Å; L388-L390 PolarHBondContact O-N 2.95Å; L390-E392 PolarHBondContact O-N 3.08Å; L390-K393 PolarHBondContact O-N 3.48Å; L390-K393 VanDerWaalsContact O-N 3.1Å; L390-K393 WeakPolarHBondContact O-CB 3.22Å; L390-Y394 HydrophobicContact CD1-CE2 3.96Å; L390-Y394 HydrophobicContact CG-CE2 4.47Å; L390-Y394 WeakPolarHBondContact O-CD2 3.2Å |
| 391 | M | 95.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59.2 | -37 | -178.6 | -70.7 | 177 | 72.1 | 0 | 0 | 111.7 | V78 L104 Y109 I167 L192 I194 L387 L388 K393 Y394 Q395 | V78-M391 HydrophobicContact CB-CE 4.05Å; V78-M391 HydrophobicContact CG2-CE 3.65Å; L104-M391 HydrophobicContact CD2-CE 3.99Å; L104-M391 HydrophobicContact CD2-SD 3.97Å; Y109-M391 HydrophobicContact CD1-CE 4.16Å; Y109-M391 HydrophobicContact CE1-CB 4.44Å; Y109-M391 HydrophobicContact CE1-CE 3.6Å; Y109-M391 WeakPolarHBondContact OH-CB 3.18Å; I167-M391 HydrophobicContact CD1-CE 4.32Å; I167-M391 HydrophobicContact CD1-SD 4.13Å; L192-M391 HydrophobicContact CD2-CG 3.95Å; I194-M391 HydrophobicContact CD1-CG 3.85Å; I194-M391 HydrophobicContact CD1-SD 4Å; L387-M391 HydrophobicContact CD1-CG 4.43Å; L387-M391 PolarHBondContact O-N 2.86Å; L387-M391 WeakPolarHBondContact O-CG 3.31Å; L387-M391 HydrophobicContact CG-SD 3.9Å; L387-M391 HydrophobicContact CD2-SD 4.32Å; L387-M391 HydrophobicContact CD1-SD 4.42Å; L387-M391 HydrophobicContact CG-CG 4.31Å; L388-M391 PolarHBondContact O-N 3Å; M391-K393 PolarHBondContact O-N 3.25Å; M391-Y394 PolarHBondContact O-N 2.83Å; M391-Q395 WeakPolarHBondContact O-CG 3.01Å |
| 392 | E | 91.2 | Very high | 90.9 | Very high | 110 Ų | 110 | 63.5 Ų | 63.5 | 51% | 0.514 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -54.4 | -35.7 | 176.7 | -174.4 | 164.3 | -138.3 | 0 | 0 | 113 | Y109 L388 L390 Y394 Q395 | Y109-E392 PolarHBondContact OH-N 3.16Å; L388-E392 PolarHBondContact O-N 2.72Å; L390-E392 PolarHBondContact O-N 3.08Å; E392-Y394 PolarHBondContact O-N 3.48Å; E392-Q395 PolarHBondContact O-N 2.96Å |
| 393 | K | 91.9 | Very high | 90.6 | Very high | 154 Ų | 154 | 61.9 Ų | 61.9 | 67% | 0.67 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -14.1 | 177.7 | -58.3 | 179.5 | -179.4 | -178.2 | 0 | 114.3 | L390 M391 | L390-K393 PolarHBondContact O-N 3.48Å; L390-K393 VanDerWaalsContact O-N 3.1Å; L390-K393 WeakPolarHBondContact O-CB 3.22Å; M391-K393 PolarHBondContact O-N 3.25Å |
| 394 | Y | 90.7 | Very high | 90.1 | Very high | 65 Ų | 65 | 66.6 Ų | 66.6 | 26% | 0.255 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | 1.3 | -179.1 | -74.3 | -95 | 0 | 0 | 0 | 112.8 | N191 L192 P331 I360 L390 M391 E392 | N191-Y394 PolarHBondContact ND2-O 3.08Å; N191-Y394 WeakPolarHBondContact O-CD1 3.46Å; L192-Y394 HydrophobicContact CB-CD1 4.09Å; L192-Y394 HydrophobicContact CB-CD2 4.5Å; L192-Y394 HydrophobicContact CB-CG 4.05Å; L192-Y394 HydrophobicContact CD1-CD1 4.5Å; L192-Y394 HydrophobicContact CD1-CD2 4.25Å; L192-Y394 HydrophobicContact CD1-CE1 4.28Å; L192-Y394 HydrophobicContact CD1-CE2 4.02Å; L192-Y394 HydrophobicContact CD2-CD2 3.95Å; L192-Y394 HydrophobicContact CD2-CE2 4.41Å; L192-Y394 HydrophobicContact CD2-CG 4.25Å; L192-Y394 HydrophobicContact CG-CD2 4.47Å; P331-Y394 HydrophobicContact CB-CE1 4.08Å; P331-Y394 HydrophobicContact CG-CE1 4.29Å; I360-Y394 HydrophobicContact CD1-CE2 4.4Å; I360-Y394 WeakPolarHBondContact CD1-OH 3.43Å; L390-Y394 HydrophobicContact CD1-CE2 3.96Å; L390-Y394 HydrophobicContact CG-CE2 4.47Å; L390-Y394 WeakPolarHBondContact O-CD2 3.2Å; M391-Y394 PolarHBondContact O-N 2.83Å; E392-Y394 PolarHBondContact O-N 3.48Å |
| 395 | Q | 77.4 | Confident | 89.5 | Confident | 27 Ų | 27 | 72.1 Ų | 72.1 | 13% | 0.126 | 34% | 0.335 | C | S | . | . | trans | -102.5 | 2.8 | 180 | -55.6 | -59.1 | -38.5 | 0 | 0 | 113.7 | R75 K76 Y109 S165 N191 M391 E392 | R75-Q395 PolarHBondContact O-OE1 3.49Å; K76-Q395 HydrophobicContact CB-CG 4.5Å; K76-Q395 HydrophobicContact CG-CB 4.02Å; K76-Q395 HydrophobicContact CG-CG 4Å; Y109-Q395 HydrophobicContact CE1-CG 4.09Å; S165-Q395 PolarHBondContact OG-NE2 3.09Å; N191-Q395 PolarHBondContact ND2-NE2 3.45Å; M391-Q395 WeakPolarHBondContact O-CG 3.01Å; E392-Q395 PolarHBondContact O-N 2.96Å | ||
| 396 | E | 57.2 | Low | 89 | Confident | 231 Ų | 231 | 74.9 Ų | 74.9 | 100% | 1.079 | 34% | 0.339 | S | S | * | . | trans | -82.4 | 0 | 169.5 | -63.1 | -176.3 | 176.9 | 0 | 0 | 110.7 |
Retrieved 396 of 396 residues in 126.8 ms
(Link to these results)