| 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 | 86.3 | Confident | 94.2 | Very high | 161 Ų | 161 | 66.2 Ų | 66.2 | 79% | 0.793 | 34% | 0.344 | S | S | * | . | 0 | -59 | 0 | -63 | -157.2 | -58.8 | 0 | 0 | 111.4 | E3 E4 A5 I95 | M1-E3 VanDerWaalsContact C-N 3.31Å; M1-E3 PolarHBondContact O-N 3.18Å; M1-E4 PolarHBondContact O-N 3.28Å; M1-E4 VanDerWaalsContact O-N 3.15Å; M1-A5 PolarHBondContact O-N 2.99Å; M1-I95 HydrophobicContact CB-CD1 3.9Å | |||
| 2 | I | 93.1 | Very high | 94.2 | Very high | 31 Ų | 31 | 62.2 Ų | 62.2 | 16% | 0.159 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.3 | -40.9 | 177.5 | -175.1 | 61.2 | 0 | 0 | 0 | 112.8 | E4 A5 I6 D91 L94 I95 | I2-E4 VanDerWaalsContact C-N 3.27Å; I2-E4 PolarHBondContact O-N 3.35Å; I2-A5 WeakPolarHBondContact O-CB 3.47Å; I2-A5 PolarHBondContact O-N 2.84Å; I2-A5 VanDerWaalsContact O-N 3.14Å; I2-I6 HydrophobicContact CD1-CD1 4.23Å; I2-I6 HydrophobicContact CD1-CG1 4.31Å; I2-I6 HydrophobicContact CG1-CD1 3.84Å; I2-I6 HydrophobicContact CG1-CG1 4.34Å; I2-I6 WeakPolarHBondContact O-CG1 3.44Å; I2-I6 PolarHBondContact O-N 3.41Å; I2-D91 HydrophobicContact CB-CB 4.17Å; I2-D91 HydrophobicContact CD1-CB 4.03Å; I2-D91 HydrophobicContact CG1-CB 4.06Å; I2-L94 HydrophobicContact CD1-CB 4.3Å; I2-L94 HydrophobicContact CD1-CD2 3.97Å; I2-L94 HydrophobicContact CD1-CG 4.3Å; I2-I95 HydrophobicContact CB-CD1 4.22Å; I2-I95 HydrophobicContact CD1-CG1 4.13Å |
| 3 | E | 92.9 | Very high | 93.7 | Very high | 152 Ų | 152 | 65.4 Ų | 65.4 | 71% | 0.71 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -57 | -37.7 | 176 | -64.5 | 157.8 | 174 | 0 | 0 | 112.8 | M1 A7 | M1-E3 VanDerWaalsContact C-N 3.31Å; M1-E3 PolarHBondContact O-N 3.18Å; E3-A7 WeakPolarHBondContact O-CB 3.4Å; E3-A7 PolarHBondContact O-N 3.02Å |
| 4 | E | 95.2 | Very high | 93.1 | Very high | 143 Ų | 143 | 71.9 Ų | 71.9 | 67% | 0.668 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -71.2 | -40.2 | 178 | -64.7 | 174.5 | 174.3 | 0 | 0 | 111.3 | M1 I2 A7 W8 | M1-E4 PolarHBondContact O-N 3.28Å; M1-E4 VanDerWaalsContact O-N 3.15Å; I2-E4 VanDerWaalsContact C-N 3.27Å; I2-E4 PolarHBondContact O-N 3.35Å; E4-A7 PolarHBondContact O-N 3.04Å; E4-W8 PolarHBondContact O-N 3.3Å |
| 5 | A | 96.5 | Very high | 92.5 | Very high | 7 Ų | 7 | 71.5 Ų | 71.5 | 6% | 0.058 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.8 | -46.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | M1 I2 W8 I9 I95 V98 | M1-A5 PolarHBondContact O-N 2.99Å; I2-A5 WeakPolarHBondContact O-CB 3.47Å; I2-A5 PolarHBondContact O-N 2.84Å; I2-A5 VanDerWaalsContact O-N 3.14Å; A5-W8 PolarHBondContact O-N 2.87Å; A5-I9 WeakPolarHBondContact O-CG1 3.33Å; A5-I9 PolarHBondContact O-N 3.25Å; A5-I9 VanDerWaalsContact O-N 3.12Å; A5-I95 HydrophobicContact CB-CG1 4.11Å; A5-V98 HydrophobicContact CB-CB 4.02Å; A5-V98 HydrophobicContact CB-CG1 3.92Å; A5-V98 HydrophobicContact CB-CG2 4.05Å |
| 6 | I | 95.3 | Very high | 91.8 | Very high | 34 Ų | 34 | 70 Ų | 70 | 17% | 0.174 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -62.7 | -45.1 | 174.8 | -70.2 | 172.7 | 0 | 0 | 0 | 111.1 | I2 W8 I9 H10 F78 | I2-I6 HydrophobicContact CD1-CD1 4.23Å; I2-I6 HydrophobicContact CD1-CG1 4.31Å; I2-I6 HydrophobicContact CG1-CD1 3.84Å; I2-I6 HydrophobicContact CG1-CG1 4.34Å; I2-I6 WeakPolarHBondContact O-CG1 3.44Å; I2-I6 PolarHBondContact O-N 3.41Å; I6-W8 VanDerWaalsContact C-N 3.28Å; I6-W8 PolarHBondContact O-N 3.49Å; I6-I9 PolarHBondContact O-N 3.03Å; I6-I9 VanDerWaalsContact O-N 3.14Å; I6-H10 WeakPolarHBondContact O-CB 3.47Å; I6-H10 PolarHBondContact O-N 3.47Å; I6-F78 HydrophobicContact CB-CD2 4.19Å; I6-F78 HydrophobicContact CB-CE2 4.36Å; I6-F78 HydrophobicContact CB-CG 4.49Å; I6-F78 HydrophobicContact CD1-CB 3.62Å; I6-F78 HydrophobicContact CD1-CD1 4.16Å; I6-F78 HydrophobicContact CD1-CD2 4.2Å; I6-F78 HydrophobicContact CD1-CG 3.74Å; I6-F78 HydrophobicContact CG1-CB 4.16Å; I6-F78 HydrophobicContact CG1-CD1 3.84Å; I6-F78 HydrophobicContact CG1-CD2 3.87Å; I6-F78 HydrophobicContact CG1-CE1 4.25Å; I6-F78 HydrophobicContact CG1-CE2 4.24Å; I6-F78 HydrophobicContact CG1-CG 3.68Å; I6-F78 HydrophobicContact CG1-CZ 4.45Å; I6-F78 HydrophobicContact CG2-CD2 3.46Å; I6-F78 VanDerWaalsContact CG2-CD2 3.46Å; I6-F78 HydrophobicContact CG2-CE2 3.77Å; I6-F78 HydrophobicContact CG2-CG 4.13Å |
| 7 | A | 94.9 | Very high | 90.9 | Very high | 57 Ų | 57 | 70.9 Ų | 70.9 | 47% | 0.471 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61 | -38 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | E3 E4 H10 S11 | E3-A7 WeakPolarHBondContact O-CB 3.4Å; E3-A7 PolarHBondContact O-N 3.02Å; E4-A7 PolarHBondContact O-N 3.04Å; A7-H10 PolarHBondContact O-N 3.37Å; A7-S11 WeakPolarHBondContact O-CB 3.4Å; A7-S11 PolarHBondContact O-N 3.43Å |
| 8 | W | 97.2 | Very high | 90.3 | Very high | 47 Ų | 47 | 73.1 Ų | 73.1 | 18% | 0.178 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.9 | -46.1 | 173.4 | 174.6 | 80.1 | 0 | 0 | 0 | 111.7 | E4 A5 I6 H10 S11 V98 Q102 V105 I122 | E4-W8 PolarHBondContact O-N 3.3Å; A5-W8 PolarHBondContact O-N 2.87Å; I6-W8 VanDerWaalsContact C-N 3.28Å; I6-W8 PolarHBondContact O-N 3.49Å; W8-H10 PolarHBondContact O-N 3.13Å; W8-S11 WeakPolarHBondContact O-CB 3.42Å; W8-S11 PolarHBondContact O-N 2.7Å; W8-S11 PolarHBondContact O-OG 3.37Å; W8-V98 HydrophobicContact CD2-CG1 4.2Å; W8-V98 HydrophobicContact CE3-CB 4.44Å; W8-V98 HydrophobicContact CE3-CG1 3.5Å; W8-V98 VanDerWaalsContact CE3-CG1 3.5Å; W8-V98 HydrophobicContact CE3-CG2 4.33Å; W8-V98 HydrophobicContact CZ3-CG1 3.97Å; W8-V98 HydrophobicContact CZ3-CG2 4.41Å; W8-Q102 HydrophobicContact CD2-CG 3.55Å; W8-Q102 HydrophobicContact CE3-CG 3.97Å; W8-Q102 HydrophobicContact CG-CG 4.01Å; W8-Q102 VanDerWaalsContact CG-NE2 3.27Å; W8-Q102 HydrophobicContact CH2-CG 3.98Å; W8-Q102 HydrophobicContact CZ2-CB 4.22Å; W8-Q102 HydrophobicContact CZ2-CG 3.58Å; W8-Q102 HydrophobicContact CZ3-CG 4.16Å; W8-V105 HydrophobicContact CH2-CB 4.45Å; W8-V105 HydrophobicContact CH2-CG2 4.15Å; W8-V105 HydrophobicContact CZ2-CB 4.14Å; W8-V105 HydrophobicContact CZ2-CG1 4.32Å; W8-V105 HydrophobicContact CZ2-CG2 4.34Å; W8-I122 HydrophobicContact CH2-CD1 3.95Å; W8-I122 HydrophobicContact CH2-CG2 4.22Å; W8-I122 HydrophobicContact CZ2-CD1 4.46Å; W8-I122 HydrophobicContact CZ3-CD1 4.37Å; W8-I122 HydrophobicContact CZ3-CG2 3.95Å |
| 9 | I | 96.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 72.7 Ų | 72.7 | 0% | 0 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -60.1 | -48.6 | 175.8 | -62.5 | 170.9 | 0 | 0 | 0 | 110 | A5 I6 S11 R12 F78 L94 V98 E119 L123 | A5-I9 WeakPolarHBondContact O-CG1 3.33Å; A5-I9 PolarHBondContact O-N 3.25Å; A5-I9 VanDerWaalsContact O-N 3.12Å; I6-I9 PolarHBondContact O-N 3.03Å; I6-I9 VanDerWaalsContact O-N 3.14Å; I9-S11 PolarHBondContact O-N 2.94Å; I9-R12 VanDerWaalsContact O-CB 3.24Å; I9-R12 WeakPolarHBondContact O-CB 3.42Å; I9-R12 WeakPolarHBondContact O-CG 3.27Å; I9-R12 PolarHBondContact O-N 3.17Å; I9-F78 HydrophobicContact CB-CE2 4.42Å; I9-F78 HydrophobicContact CB-CZ 3.96Å; I9-F78 HydrophobicContact CD1-CE1 3.71Å; I9-F78 HydrophobicContact CD1-CZ 3.43Å; I9-F78 VanDerWaalsContact CD1-CZ 3.43Å; I9-F78 HydrophobicContact CG1-CZ 4.29Å; I9-F78 HydrophobicContact CG2-CE2 4.31Å; I9-F78 HydrophobicContact CG2-CZ 3.8Å; I9-L94 HydrophobicContact CD1-CD1 4.47Å; I9-V98 HydrophobicContact CD1-CG2 3.63Å; I9-V98 HydrophobicContact CG1-CG2 4Å; I9-E119 HydrophobicContact CG2-CB 4.11Å; I9-E119 HydrophobicContact CG2-CG 3.54Å; I9-L123 HydrophobicContact CD1-CD2 4.32Å; I9-L123 HydrophobicContact CG2-CG 4.38Å |
| 10 | H | 93.9 | Very high | 89.6 | Confident | 42 Ų | 42 | 69.4 Ų | 69.4 | 19% | 0.194 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -63.7 | -26 | 178.9 | -76.6 | -23.5 | 0 | 0 | 0 | 114.1 | I6 A7 W8 R12 K13 F78 E119 | I6-H10 WeakPolarHBondContact O-CB 3.47Å; I6-H10 PolarHBondContact O-N 3.47Å; A7-H10 PolarHBondContact O-N 3.37Å; W8-H10 PolarHBondContact O-N 3.13Å; H10-R12 PolarHBondContact O-N 3.41Å; H10-K13 HydrophobicContact CB-CD 4.29Å; H10-K13 PolarHBondContact CE1-NZ 2.96Å; H10-K13 WeakPolarHBondContact ND1-CE 3.47Å; H10-K13 PolarHBondContact ND1-NZ 2.85Å; H10-K13 VanDerWaalsContact ND1-NZ 3.12Å; H10-K13 VanDerWaalsContact O-CB 3.27Å; H10-K13 WeakPolarHBondContact O-CB 3.18Å; H10-K13 WeakPolarHBondContact O-CG 3.43Å; H10-K13 PolarHBondContact O-N 3.21Å; H10-F78 AromaticContact CE1-CD2 3.7Å; H10-F78 AromaticContact CE1-CE2 3.42Å; H10-F78 VanDerWaalsContact CE1-CE2 3.42Å; H10-F78 WeakPolarHBondContact CE1-CE2 3.36Å; H10-F78 AromaticContact ND1-CE2 3.96Å; H10-F78 AromaticContact NE2-CD2 3.72Å; H10-F78 AromaticContact NE2-CE2 3.8Å; H10-E119 IonicContact CE1-OE1 2.8Å; H10-E119 PolarHBondContact CE1-OE1 3.1Å; H10-E119 IonicContact CE1-OE2 3.9Å; H10-E119 IonicContact CG-OE2 3.05Å; H10-E119 IonicContact ND1-OE1 3.09Å; H10-E119 PolarHBondContact ND1-OE1 2.97Å; H10-E119 IonicContact ND1-OE2 2.83Å; H10-E119 PolarHBondContact ND1-OE2 3.2Å |
| 11 | S | 94.7 | Very high | 89.8 | Confident | 54 Ų | 54 | 68.2 Ų | 68.2 | 38% | 0.378 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -58.8 | -18.7 | 173.7 | 83.5 | 0 | 0 | 0 | 0 | 112.8 | A7 W8 I9 K14 | A7-S11 WeakPolarHBondContact O-CB 3.4Å; A7-S11 PolarHBondContact O-N 3.43Å; W8-S11 WeakPolarHBondContact O-CB 3.42Å; W8-S11 PolarHBondContact O-N 2.7Å; W8-S11 PolarHBondContact O-OG 3.37Å; I9-S11 PolarHBondContact O-N 2.94Å; S11-K14 VanDerWaalsContact O-CD 3.31Å; S11-K14 WeakPolarHBondContact O-CD 3.35Å; S11-K14 WeakPolarHBondContact O-CE 3.25Å; S11-K14 WeakPolarHBondContact O-CG 3.3Å |
| 12 | R | 94.3 | Very high | 90.2 | Very high | 18 Ų | 18 | 66.4 Ų | 66.4 | 7% | 0.068 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | -85.1 | -10.5 | 177.7 | -48.5 | -61.4 | -65 | -170.5 | -2.3 | 113.2 | I9 H10 K14 F15 D109 I117 E119 I122 | I9-R12 VanDerWaalsContact O-CB 3.24Å; I9-R12 WeakPolarHBondContact O-CB 3.42Å; I9-R12 WeakPolarHBondContact O-CG 3.27Å; I9-R12 PolarHBondContact O-N 3.17Å; H10-R12 PolarHBondContact O-N 3.41Å; R12-K14 PolarHBondContact O-N 3.05Å; R12-K14 VanDerWaalsContact O-N 3.09Å; R12-F15 HydrophobicContact CB-CD2 4.24Å; R12-F15 WeakPolarHBondContact O-CD2 3.38Å; R12-F15 PolarHBondContact O-N 2.91Å; R12-D109 IonicContact CZ-OD1 3.71Å; R12-D109 IonicContact CZ-OD2 3.36Å; R12-D109 VanDerWaalsContact CZ-OD2 3.23Å; R12-D109 IonicContact NH1-OD2 3.47Å; R12-D109 PolarHBondContact NH1-OD2 2.9Å; R12-D109 IonicContact NH2-OD1 2.75Å; R12-D109 PolarHBondContact NH2-OD1 2.94Å; R12-D109 IonicContact NH2-OD2 3.01Å; R12-D109 PolarHBondContact NH2-OD2 2.89Å; R12-I117 VanDerWaalsContact CZ-O 3.28Å; R12-I117 PolarHBondContact NE-O 3.44Å; R12-I117 VanDerWaalsContact NH2-N 3.15Å; R12-I117 PolarHBondContact NH2-O 3.48Å; R12-E119 HydrophobicContact CB-CB 4.32Å; R12-I122 HydrophobicContact CB-CD1 4.48Å; R12-I122 HydrophobicContact CG-CD1 3.72Å |
| 13 | K | 87.6 | Confident | 90.3 | Very high | 104 Ų | 104 | 65.8 Ų | 65.8 | 45% | 0.452 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -54.9 | -28 | 173.3 | -73.5 | 175.7 | 167.1 | 164.8 | 0 | 112.8 | H10 F15 G16 E119 | H10-K13 HydrophobicContact CB-CD 4.29Å; H10-K13 PolarHBondContact CE1-NZ 2.96Å; H10-K13 WeakPolarHBondContact ND1-CE 3.47Å; H10-K13 PolarHBondContact ND1-NZ 2.85Å; H10-K13 VanDerWaalsContact ND1-NZ 3.12Å; H10-K13 VanDerWaalsContact O-CB 3.27Å; H10-K13 WeakPolarHBondContact O-CB 3.18Å; H10-K13 WeakPolarHBondContact O-CG 3.43Å; H10-K13 PolarHBondContact O-N 3.21Å; K13-F15 PolarHBondContact O-N 3.27Å; K13-F15 VanDerWaalsContact O-N 3.1Å; K13-G16 PolarHBondContact O-N 3.11Å; K13-E119 WeakPolarHBondContact CE-OE2 3.43Å; K13-E119 WeakPolarHBondContact CG-OE2 3.37Å |
| 14 | K | 85.6 | Confident | 90.5 | Very high | 157 Ų | 157 | 58.6 Ų | 58.6 | 68% | 0.683 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -57.9 | -20.7 | 175.7 | 71.2 | -171.8 | 175.8 | -175.3 | 0 | 114.3 | S11 R12 G16 | S11-K14 VanDerWaalsContact O-CD 3.31Å; S11-K14 WeakPolarHBondContact O-CD 3.35Å; S11-K14 WeakPolarHBondContact O-CE 3.25Å; S11-K14 WeakPolarHBondContact O-CG 3.3Å; R12-K14 PolarHBondContact O-N 3.05Å; R12-K14 VanDerWaalsContact O-N 3.09Å; K14-G16 VanDerWaalsContact C-N 3.34Å |
| 15 | F | 84.4 | Confident | 90.6 | Very high | 65 Ų | 65 | 54.7 Ų | 54.7 | 29% | 0.285 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -84.5 | -8.4 | 177.5 | -61.5 | -66.7 | 0 | 0 | 0 | 113.3 | R12 K13 R18 T118 | R12-F15 HydrophobicContact CB-CD2 4.24Å; R12-F15 WeakPolarHBondContact O-CD2 3.38Å; R12-F15 PolarHBondContact O-N 2.91Å; K13-F15 PolarHBondContact O-N 3.27Å; K13-F15 VanDerWaalsContact O-N 3.1Å; F15-R18 WeakPolarHBondContact O-CG 3.33Å; F15-T118 HydrophobicContact CB-CG2 4.18Å |
| 16 | G | 80.3 | Confident | 90.7 | Very high | 48 Ų | 48 | 55.3 Ų | 55.3 | 50% | 0.495 | 30% | 0.296 | S | S | . | . | trans | 62.5 | -154.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | K13 K14 T118 | K13-G16 PolarHBondContact O-N 3.11Å; K14-G16 VanDerWaalsContact C-N 3.34Å; G16-T118 WeakPolarHBondContact O-CG2 3.49Å | ||
| 17 | S | 76.5 | Confident | 90.8 | Very high | 85 Ų | 85 | 53.7 Ų | 53.7 | 59% | 0.594 | 29% | 0.288 | S | S | * | . | trans | -89.4 | 120.9 | 170.3 | -175.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 18 | R | 80.6 | Confident | 90.9 | Very high | 111 Ų | 111 | 51 Ų | 51 | 42% | 0.419 | 27% | 0.265 | S | S | . | . | trans | -120.1 | 97 | 174.2 | -61 | -172.8 | 83.3 | -168.6 | 4.4 | 108.1 | F15 G20 R23 S115 T118 | F15-R18 WeakPolarHBondContact O-CG 3.33Å; R18-G20 PolarHBondContact O-N 3.06Å; R18-R23 PolarHBondContact O-NH2 3.19Å; R18-S115 PolarHBondContact NH1-O 3.33Å; R18-T118 HydrophobicContact CB-CG2 4.3Å; R18-T118 HydrophobicContact CG-CG2 4.27Å | ||
| 19 | P | 78.6 | Confident | 91 | Very high | 66 Ų | 66 | 52.9 Ų | 52.9 | 43% | 0.429 | 28% | 0.279 | S | S | . | . | trans | -56.4 | 141.9 | 172.9 | -24.6 | 34.4 | 0 | 0 | 0 | 111 | L149 V172 | P19-L149 HydrophobicContact CB-CB 3.91Å; P19-L149 HydrophobicContact CB-CD1 3.89Å; P19-V172 HydrophobicContact CG-CG1 4.03Å | ||
| 20 | G | 87.5 | Confident | 91 | Very high | 5 Ų | 5 | 57.1 Ų | 57.1 | 5% | 0.052 | 30% | 0.297 | C | S | . | . | trans | 137.1 | 147.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | R18 E22 L149 | R18-G20 PolarHBondContact O-N 3.06Å; G20-E22 WeakPolarHBondContact CA-OE2 3.46Å; G20-L149 PolarHBondContact N-O 3.46Å | ||
| 21 | L | 94.3 | Very high | 91.2 | Very high | 45 Ų | 45 | 55.7 Ų | 55.7 | 24% | 0.236 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -102.4 | -11.6 | -175.9 | -59.6 | -179.5 | 0 | 0 | 0 | 112.6 | R23 I24 Q25 D150 N153 V154 | L21-R23 VanDerWaalsContact C-N 3.31Å; L21-R23 PolarHBondContact O-N 2.73Å; L21-I24 HydrophobicContact CB-CG2 4.4Å; L21-I24 HydrophobicContact CD2-CG2 4.32Å; L21-I24 WeakPolarHBondContact O-CG2 3.49Å; L21-I24 PolarHBondContact O-N 3.33Å; L21-Q25 VanDerWaalsContact O-CB 3.22Å; L21-Q25 WeakPolarHBondContact O-CB 3.17Å; L21-Q25 PolarHBondContact O-N 3.34Å; L21-D150 WeakPolarHBondContact CD2-O 3.35Å; L21-N153 HydrophobicContact CD2-CB 4.43Å; L21-V154 HydrophobicContact CD2-CG1 4.2Å |
| 22 | E | 95.1 | Very high | 91.3 | Very high | 124 Ų | 124 | 59.3 Ų | 59.3 | 58% | 0.579 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -60.9 | -40.6 | -172.2 | -61.6 | 77.5 | -171.7 | 0 | 0 | 111.9 | G20 A26 I114 | G20-E22 WeakPolarHBondContact CA-OE2 3.46Å; E22-A26 VanDerWaalsContact O-CB 3.3Å; E22-A26 WeakPolarHBondContact O-CB 3.22Å; E22-A26 PolarHBondContact O-N 3.47Å; E22-I114 HydrophobicContact CB-CD1 4.29Å |
| 23 | R | 95.7 | Very high | 91.5 | Very high | 18 Ų | 18 | 59.6 Ų | 59.6 | 7% | 0.068 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -72.9 | -47.8 | -177.6 | -64.6 | -176.6 | -57.9 | -70.3 | -18.7 | 112.5 | R18 L21 Q25 A26 L27 I114 I117 E121 | R18-R23 PolarHBondContact O-NH2 3.19Å; L21-R23 VanDerWaalsContact C-N 3.31Å; L21-R23 PolarHBondContact O-N 2.73Å; R23-Q25 VanDerWaalsContact C-N 3.31Å; R23-Q25 PolarHBondContact O-N 2.95Å; R23-A26 PolarHBondContact O-N 3.18Å; R23-L27 WeakPolarHBondContact O-CB 3.29Å; R23-L27 PolarHBondContact O-N 3.17Å; R23-I114 WeakPolarHBondContact CD-O 3.35Å; R23-I114 HydrophobicContact CG-CG2 4.36Å; R23-I114 VanDerWaalsContact CG-O 3.32Å; R23-I114 WeakPolarHBondContact CG-O 3.37Å; R23-I117 HydrophobicContact CB-CG1 4.39Å; R23-E121 WeakPolarHBondContact CB-OE1 3.42Å; R23-E121 IonicContact CZ-OE1 2.88Å; R23-E121 VanDerWaalsContact CZ-OE1 3.27Å; R23-E121 IonicContact CZ-OE2 2.72Å; R23-E121 IonicContact NE-OE1 3.62Å; R23-E121 PolarHBondContact NE-OE1 3.17Å; R23-E121 IonicContact NE-OE2 3.59Å; R23-E121 PolarHBondContact NE-OE2 2.86Å; R23-E121 IonicContact NH2-OE1 3.74Å; R23-E121 PolarHBondContact NH2-OE1 3.23Å; R23-E121 IonicContact NH2-OE2 3.7Å |
| 24 | I | 96.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.5 | -37.7 | 176.1 | -178.6 | 59.2 | 0 | 0 | 0 | 111.1 | L21 L27 L28 E121 T124 A125 V154 | L21-I24 HydrophobicContact CB-CG2 4.4Å; L21-I24 HydrophobicContact CD2-CG2 4.32Å; L21-I24 WeakPolarHBondContact O-CG2 3.49Å; L21-I24 PolarHBondContact O-N 3.33Å; I24-L27 HydrophobicContact CD1-CD2 4.47Å; I24-L27 WeakPolarHBondContact O-CB 3.24Å; I24-L27 PolarHBondContact O-N 3.21Å; I24-L28 HydrophobicContact CD1-CD1 4.22Å; I24-L28 HydrophobicContact CD1-CG 4.11Å; I24-L28 HydrophobicContact CG1-CD1 3.96Å; I24-L28 HydrophobicContact CG1-CG 4.33Å; I24-L28 WeakPolarHBondContact O-CB 3.33Å; I24-L28 VanDerWaalsContact O-CG 3.29Å; I24-L28 WeakPolarHBondContact O-CG 3.35Å; I24-L28 PolarHBondContact O-N 3.44Å; I24-E121 HydrophobicContact CB-CB 4.45Å; I24-E121 HydrophobicContact CB-CG 4.18Å; I24-E121 HydrophobicContact CD1-CB 4.35Å; I24-E121 VanDerWaalsContact CD1-O 3.3Å; I24-E121 WeakPolarHBondContact CD1-O 3.46Å; I24-T124 HydrophobicContact CD1-CG2 4.38Å; I24-A125 HydrophobicContact CD1-CB 3.99Å; I24-V154 HydrophobicContact CB-CG1 4.43Å; I24-V154 HydrophobicContact CG1-CG1 4.07Å; I24-V154 HydrophobicContact CG1-CG2 4.42Å; I24-V154 HydrophobicContact CG2-CG1 3.55Å |
| 25 | Q | 97.2 | Very high | 92.5 | Very high | 61 Ų | 61 | 47.7 Ų | 47.7 | 29% | 0.285 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -65.6 | -44.9 | 176.6 | -159.8 | 68.7 | 58.2 | 0 | 0 | 111.5 | L21 R23 L27 L28 D29 | L21-Q25 VanDerWaalsContact O-CB 3.22Å; L21-Q25 WeakPolarHBondContact O-CB 3.17Å; L21-Q25 PolarHBondContact O-N 3.34Å; R23-Q25 VanDerWaalsContact C-N 3.31Å; R23-Q25 PolarHBondContact O-N 2.95Å; Q25-L27 PolarHBondContact O-N 3.32Å; Q25-L28 PolarHBondContact O-N 2.87Å; Q25-D29 WeakPolarHBondContact O-CB 3.19Å; Q25-D29 PolarHBondContact O-N 2.89Å |
| 26 | A | 97.3 | Very high | 93.2 | Very high | 21 Ų | 21 | 51.2 Ų | 51.2 | 17% | 0.174 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61 | -35.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | E22 R23 K30 L108 I114 | E22-A26 VanDerWaalsContact O-CB 3.3Å; E22-A26 WeakPolarHBondContact O-CB 3.22Å; E22-A26 PolarHBondContact O-N 3.47Å; R23-A26 PolarHBondContact O-N 3.18Å; A26-K30 WeakPolarHBondContact O-CG 3.48Å; A26-K30 PolarHBondContact O-N 3.03Å; A26-L108 HydrophobicContact CB-CD2 4.38Å; A26-I114 HydrophobicContact CB-CD1 4.19Å; A26-I114 HydrophobicContact CB-CG1 4.37Å; A26-I114 HydrophobicContact CB-CG2 3.8Å |
| 27 | L | 97.8 | Very high | 94 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.4 | -47.2 | 174.7 | -172.6 | 60.9 | 0 | 0 | 0 | 111.9 | R23 I24 Q25 D29 K30 Y101 I104 V105 L108 I117 I122 A125 | R23-L27 WeakPolarHBondContact O-CB 3.29Å; R23-L27 PolarHBondContact O-N 3.17Å; I24-L27 HydrophobicContact CD1-CD2 4.47Å; I24-L27 WeakPolarHBondContact O-CB 3.24Å; I24-L27 PolarHBondContact O-N 3.21Å; Q25-L27 PolarHBondContact O-N 3.32Å; L27-D29 VanDerWaalsContact C-N 3.31Å; L27-D29 PolarHBondContact O-N 3.38Å; L27-K30 WeakPolarHBondContact O-CB 3.34Å; L27-K30 PolarHBondContact O-N 3.2Å; L27-Y101 HydrophobicContact CD1-CD1 3.86Å; L27-Y101 HydrophobicContact CD1-CE1 4.05Å; L27-Y101 HydrophobicContact CD2-CD1 4.15Å; L27-Y101 HydrophobicContact CD2-CE1 4.1Å; L27-Y101 HydrophobicContact CG-CD1 4.14Å; L27-Y101 HydrophobicContact CG-CE1 3.91Å; L27-I104 HydrophobicContact CD1-CG2 3.75Å; L27-V105 HydrophobicContact CD1-CG2 4.03Å; L27-L108 HydrophobicContact CB-CD1 4.25Å; L27-L108 HydrophobicContact CD1-CD1 3.83Å; L27-I117 HydrophobicContact CB-CD1 4.42Å; L27-I117 HydrophobicContact CD1-CD1 4.2Å; L27-I117 HydrophobicContact CD2-CG2 4.15Å; L27-I122 HydrophobicContact CD2-CG1 4.5Å; L27-A125 HydrophobicContact CD2-CB 3.6Å; L27-A125 HydrophobicContact CG-CB 4.09Å |
| 28 | L | 98.2 | Very high | 95 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.4 | -33.6 | 178.6 | -69.8 | 170.9 | 0 | 0 | 0 | 112.5 | I24 Q25 K30 V31 D32 N33 P34 E35 A125 L128 V154 | I24-L28 HydrophobicContact CD1-CD1 4.22Å; I24-L28 HydrophobicContact CD1-CG 4.11Å; I24-L28 HydrophobicContact CG1-CD1 3.96Å; I24-L28 HydrophobicContact CG1-CG 4.33Å; I24-L28 WeakPolarHBondContact O-CB 3.33Å; I24-L28 VanDerWaalsContact O-CG 3.29Å; I24-L28 WeakPolarHBondContact O-CG 3.35Å; I24-L28 PolarHBondContact O-N 3.44Å; Q25-L28 PolarHBondContact O-N 2.87Å; L28-K30 PolarHBondContact O-N 2.93Å; L28-V31 CarbonylContact O-C 3.5Å; L28-V31 WeakPolarHBondContact O-CG2 3.42Å; L28-V31 PolarHBondContact O-N 2.72Å; L28-V31 VanDerWaalsContact O-N 3.15Å; L28-D32 PolarHBondContact O-N 2.88Å; L28-N33 WeakPolarHBondContact O-CA 3.47Å; L28-N33 PolarHBondContact O-N 3.36Å; L28-P34 HydrophobicContact CD2-CG 3.82Å; L28-E35 HydrophobicContact CD1-CB 4.29Å; L28-E35 HydrophobicContact CD1-CG 4.15Å; L28-A125 HydrophobicContact CD2-CB 4.1Å; L28-L128 HydrophobicContact CD1-CD1 4.29Å; L28-L128 HydrophobicContact CD2-CD1 4.05Å; L28-V154 HydrophobicContact CD1-CB 4.06Å; L28-V154 HydrophobicContact CD1-CG1 4.33Å; L28-V154 HydrophobicContact CD1-CG2 3.65Å |
| 29 | D | 97.8 | Very high | 95.8 | Very high | 87 Ų | 87 | 48.6 Ų | 48.6 | 47% | 0.465 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.7 | -33 | 174.3 | -79.4 | -27 | 0 | 0 | 0 | 112.5 | Q25 L27 V31 N33 | Q25-D29 WeakPolarHBondContact O-CB 3.19Å; Q25-D29 PolarHBondContact O-N 2.89Å; L27-D29 VanDerWaalsContact C-N 3.31Å; L27-D29 PolarHBondContact O-N 3.38Å; D29-V31 VanDerWaalsContact C-N 3.25Å; D29-V31 PolarHBondContact O-N 3.24Å; D29-N33 PolarHBondContact OD1-ND2 2.94Å; D29-N33 PolarHBondContact OD1-OD1 3.43Å |
| 30 | K | 97.7 | Very high | 96.8 | Very high | 89 Ų | 89 | 45.5 Ų | 45.5 | 39% | 0.387 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -15.4 | 177.5 | -69.6 | -74.7 | -173.8 | 165.4 | 0 | 114.1 | A26 L27 L28 I104 E107 L108 | A26-K30 WeakPolarHBondContact O-CG 3.48Å; A26-K30 PolarHBondContact O-N 3.03Å; L27-K30 WeakPolarHBondContact O-CB 3.34Å; L27-K30 PolarHBondContact O-N 3.2Å; L28-K30 PolarHBondContact O-N 2.93Å; K30-I104 HydrophobicContact CB-CG2 3.48Å; K30-I104 VanDerWaalsContact CB-CG2 3.48Å; K30-I104 HydrophobicContact CG-CG2 3.78Å; K30-E107 IonicContact NZ-OE1 2.64Å; K30-E107 PolarHBondContact NZ-OE1 2.94Å; K30-E107 IonicContact NZ-OE2 3.33Å; K30-E107 PolarHBondContact NZ-OE2 3.47Å; K30-L108 HydrophobicContact CG-CD1 4.26Å; K30-L108 HydrophobicContact CG-CD2 4.33Å; K30-L108 HydrophobicContact CG-CG 4.5Å |
| 31 | V | 97 | Very high | 97.3 | Very high | 11 Ų | 11 | 45.2 Ų | 45.2 | 7% | 0.067 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.5 | 28.2 | -178.3 | -65.7 | 0 | 0 | 0 | 0 | 112.3 | L28 D29 N33 P34 Y101 I104 | L28-V31 CarbonylContact O-C 3.5Å; L28-V31 WeakPolarHBondContact O-CG2 3.42Å; L28-V31 PolarHBondContact O-N 2.72Å; L28-V31 VanDerWaalsContact O-N 3.15Å; D29-V31 VanDerWaalsContact C-N 3.25Å; D29-V31 PolarHBondContact O-N 3.24Å; V31-N33 VanDerWaalsContact C-N 3.32Å; V31-N33 PolarHBondContact O-N 2.76Å; V31-P34 HydrophobicContact CG2-CG 3.99Å; V31-Y101 HydrophobicContact CG1-CE1 4.09Å; V31-Y101 HydrophobicContact CG2-CE1 4.45Å; V31-I104 HydrophobicContact CG1-CD1 3.63Å |
| 32 | D | 96.8 | Very high | 97.5 | Very high | 130 Ų | 130 | 43.1 Ų | 43.1 | 70% | 0.695 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.6 | 36.9 | 176.5 | -60.6 | -46.8 | 0 | 0 | 0 | 114.5 | L28 | L28-D32 PolarHBondContact O-N 2.88Š|
| 33 | N | 98.1 | Very high | 97.7 | Very high | 24 Ų | 24 | 37.2 Ų | 37.2 | 13% | 0.128 | 18% | 0.184 | C | C | . | . | trans | 51.5 | 62 | 169.8 | -68.8 | -112.7 | 0 | 0 | 0 | 114 | L28 D29 V31 E35 K36 | L28-N33 WeakPolarHBondContact O-CA 3.47Å; L28-N33 PolarHBondContact O-N 3.36Å; D29-N33 PolarHBondContact OD1-ND2 2.94Å; D29-N33 PolarHBondContact OD1-OD1 3.43Å; V31-N33 VanDerWaalsContact C-N 3.32Å; V31-N33 PolarHBondContact O-N 2.76Å; N33-E35 WeakPolarHBondContact CA-OE2 3.4Å; N33-E35 WeakPolarHBondContact CB-OE1 3.34Å; N33-E35 PolarHBondContact O-N 2.91Å; N33-E35 PolarHBondContact OD1-OE1 3.03Å; N33-E35 VanDerWaalsContact OD1-OE1 3.11Å; N33-K36 HydrophobicContact CB-CD 3.75Å; N33-K36 HydrophobicContact CB-CG 4.27Å; N33-K36 VanDerWaalsContact CG-NZ 3.27Å; N33-K36 PolarHBondContact O-N 3.07Å; N33-K36 WeakPolarHBondContact OD1-CE 3.14Å; N33-K36 PolarHBondContact OD1-NZ 3.37Å | ||
| 34 | P | 97.9 | Very high | 97.8 | Very high | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.013 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -61.7 | -25.1 | -178.3 | 27.1 | -34.8 | 0 | 0 | 0 | 112.8 | L28 V31 K36 K37 L128 D129 A132 | L28-P34 HydrophobicContact CD2-CG 3.82Å; V31-P34 HydrophobicContact CG2-CG 3.99Å; P34-K36 PolarHBondContact O-N 3.34Å; P34-K36 VanDerWaalsContact O-N 3.1Å; P34-K37 WeakPolarHBondContact O-CB 3.46Å; P34-K37 PolarHBondContact O-N 3.5Å; P34-L128 HydrophobicContact CB-CB 4.49Å; P34-L128 HydrophobicContact CG-CB 4.25Å; P34-D129 HydrophobicContact CB-CB 4.36Å; P34-D129 HydrophobicContact CG-CB 4.18Å; P34-A132 HydrophobicContact CB-CB 3.92Å |
| 35 | E | 97.8 | Very high | 97.8 | Very high | 9 Ų | 9 | 36.4 Ų | 36.4 | 4% | 0.042 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -61 | -21.8 | 178.2 | 82.3 | -69.1 | 168.3 | 0 | 0 | 113.8 | L28 N33 K37 L128 V155 | L28-E35 HydrophobicContact CD1-CB 4.29Å; L28-E35 HydrophobicContact CD1-CG 4.15Å; N33-E35 WeakPolarHBondContact CA-OE2 3.4Å; N33-E35 WeakPolarHBondContact CB-OE1 3.34Å; N33-E35 PolarHBondContact O-N 2.91Å; N33-E35 PolarHBondContact OD1-OE1 3.03Å; N33-E35 VanDerWaalsContact OD1-OE1 3.11Å; E35-K37 VanDerWaalsContact C-N 3.28Å; E35-L128 HydrophobicContact CB-CD1 3.85Å; E35-L128 HydrophobicContact CB-CD2 4.13Å; E35-L128 HydrophobicContact CB-CG 4.43Å; E35-V155 HydrophobicContact CB-CG1 4.48Å |
| 36 | K | 97.6 | Very high | 97.6 | Very high | 140 Ų | 140 | 33.8 Ų | 33.8 | 61% | 0.609 | 17% | 0.169 | S | C | * | . | G | 310 helix | trans | -79.3 | -12.6 | 177.4 | -65.8 | 172.5 | -174.4 | 159.3 | 0 | 112.9 | N33 P34 | N33-K36 HydrophobicContact CB-CD 3.75Å; N33-K36 HydrophobicContact CB-CG 4.27Å; N33-K36 VanDerWaalsContact CG-NZ 3.27Å; N33-K36 PolarHBondContact O-N 3.07Å; N33-K36 WeakPolarHBondContact OD1-CE 3.14Å; N33-K36 PolarHBondContact OD1-NZ 3.37Å; P34-K36 PolarHBondContact O-N 3.34Å; P34-K36 VanDerWaalsContact O-N 3.1Å |
| 37 | K | 97.5 | Very high | 97.2 | Very high | 140 Ų | 140 | 37.3 Ų | 37.3 | 61% | 0.609 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.1 | -12.3 | -174.4 | -59.6 | 173.8 | -173.5 | 164.6 | 0 | 113.1 | P34 E35 A132 | P34-K37 WeakPolarHBondContact O-CB 3.46Å; P34-K37 PolarHBondContact O-N 3.5Å; E35-K37 VanDerWaalsContact C-N 3.28Å; K37-A132 HydrophobicContact CB-CB 4.18Å; K37-A132 HydrophobicContact CD-CB 4.48Å |
| 38 | V | 97.8 | Very high | 96.9 | Very high | 9 Ų | 9 | 38.1 Ų | 38.1 | 6% | 0.055 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -105.9 | 120.3 | -174.5 | -175.1 | 0 | 0 | 0 | 0 | 109.9 | V40 F131 A132 V136 A139 | V38-V40 HydrophobicContact CB-CG2 4.45Å; V38-V40 HydrophobicContact CG1-CG2 4.11Å; V38-V40 PolarHBondContact O-N 3.4Å; V38-F131 HydrophobicContact CG1-CB 4.12Å; V38-F131 HydrophobicContact CG2-CB 4.06Å; V38-A132 HydrophobicContact CG2-CB 3.8Å; V38-V136 HydrophobicContact CG1-CG2 4.15Å; V38-A139 HydrophobicContact CG1-CB 3.52Å |
| 39 | P | 98.2 | Very high | 96.7 | Very high | 39 Ų | 39 | 39.5 Ų | 39.5 | 25% | 0.253 | 20% | 0.2 | S | C | . | . | trans | -67.3 | 125.6 | 168.5 | -19.8 | 34.5 | 0 | 0 | 0 | 109.9 | D137 V138 A139 I158 | P39-D137 WeakPolarHBondContact CG-O 3.33Å; P39-V138 CarbonylContact O-C 3.43Å; P39-V138 WeakPolarHBondContact O-CA 3.37Å; P39-A139 PolarHBondContact O-N 2.89Å; P39-I158 HydrophobicContact CB-CD1 4.36Å; P39-I158 HydrophobicContact CB-CG2 4.41Å | ||
| 40 | V | 98.8 | Very high | 96.5 | Very high | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.006 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 135.4 | -173 | 174.6 | 0 | 0 | 0 | 0 | 112.5 | V38 H42 A139 V141 V155 P157 I158 | V38-V40 HydrophobicContact CB-CG2 4.45Å; V38-V40 HydrophobicContact CG1-CG2 4.11Å; V38-V40 PolarHBondContact O-N 3.4Å; V40-H42 HydrophobicContact CG1-CB 4.18Å; V40-A139 CarbonylContact C-O 3.47Å; V40-A139 VanDerWaalsContact CA-O 3.3Å; V40-A139 WeakPolarHBondContact CA-O 3.45Å; V40-A139 HydrophobicContact CG2-CB 4.34Å; V40-V141 HydrophobicContact CG1-CB 3.9Å; V40-V141 HydrophobicContact CG1-CG2 3.65Å; V40-V141 HydrophobicContact CG2-CG2 4.31Å; V40-V155 HydrophobicContact CB-CB 4.31Å; V40-V155 HydrophobicContact CB-CG2 4.27Å; V40-V155 HydrophobicContact CG1-CB 4.35Å; V40-V155 HydrophobicContact CG1-CG2 3.87Å; V40-V155 HydrophobicContact CG2-CB 4.12Å; V40-V155 HydrophobicContact CG2-CG1 4.08Å; V40-P157 CarbonylContact O-C 3.48Å; V40-P157 WeakPolarHBondContact O-CA 3.2Å; V40-P157 VanDerWaalsContact O-CB 3.26Å; V40-P157 WeakPolarHBondContact O-CB 3.37Å; V40-I158 WeakPolarHBondContact O-CG1 3.34Å; V40-I158 PolarHBondContact O-N 2.57Å |
| 41 | I | 98.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 116.9 | 159.6 | -58.4 | 178 | 0 | 0 | 0 | 107.4 | I43 L56 L60 V138 A139 I140 V141 I158 L159 L271 Y275 | I41-I43 HydrophobicContact CG2-CG1 4.37Å; I41-L56 HydrophobicContact CD1-CD2 3.92Å; I41-L56 HydrophobicContact CG2-CD2 3.95Å; I41-L60 HydrophobicContact CD1-CD1 4.48Å; I41-V138 HydrophobicContact CD1-CG2 3.93Å; I41-V138 HydrophobicContact CG1-CG2 3.74Å; I41-A139 PolarHBondContact N-O 3.43Å; I41-I140 WeakPolarHBondContact O-CA 3.5Å; I41-V141 PolarHBondContact O-N 3.14Å; I41-I158 HydrophobicContact CG1-CD1 4.46Å; I41-I158 HydrophobicContact CG1-CG1 4.21Å; I41-L159 WeakPolarHBondContact CA-O 3.36Å; I41-L159 HydrophobicContact CD1-CD1 4.15Å; I41-L159 HydrophobicContact CG1-CB 4.18Å; I41-L159 HydrophobicContact CG1-CD1 4.39Å; I41-L159 HydrophobicContact CG2-CB 4.17Å; I41-L271 HydrophobicContact CG2-CD1 4.28Å; I41-L271 HydrophobicContact CG2-CD2 4.14Å; I41-Y275 HydrophobicContact CD1-CD2 4.19Å |
| 42 | H | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 121.6 | -170.2 | -162.7 | -166.1 | 0 | 0 | 0 | 111.5 | V40 V141 V143 T152 P157 L159 T160 A161 I187 | V40-H42 HydrophobicContact CG1-CB 4.18Å; H42-V141 PolarHBondContact CD2-O 3.04Å; H42-V143 WeakPolarHBondContact NE2-CG2 3.24Å; H42-T152 WeakPolarHBondContact NE2-CB 3.47Å; H42-T152 PolarHBondContact NE2-OG1 2.83Å; H42-P157 HydrophobicContact CB-CB 3.88Å; H42-P157 HydrophobicContact CB-CG 4.17Å; H42-L159 PolarHBondContact N-O 2.66Å; H42-T160 HydrophobicContact CB-CG2 4.32Å; H42-T160 CarbonylContact O-C 3.5Å; H42-T160 VanDerWaalsContact O-CA 3.28Å; H42-T160 WeakPolarHBondContact O-CA 3.35Å; H42-A161 PolarHBondContact O-N 3.31Å; H42-I187 WeakPolarHBondContact O-CD1 3.36Å |
| 43 | I | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 110.2 | -170 | -56.7 | -175.4 | 0 | 0 | 0 | 110.5 | I41 K49 T52 V53 L56 I140 V141 V143 A161 T163 L271 | I41-I43 HydrophobicContact CG2-CG1 4.37Å; I43-K49 HydrophobicContact CG2-CB 4.32Å; I43-K49 HydrophobicContact CG2-CG 4.41Å; I43-T52 HydrophobicContact CD1-CG2 3.9Å; I43-V53 HydrophobicContact CD1-CG2 3.9Å; I43-L56 HydrophobicContact CD1-CD2 4.46Å; I43-I140 HydrophobicContact CD1-CG2 3.49Å; I43-I140 VanDerWaalsContact CD1-CG2 3.49Å; I43-I140 HydrophobicContact CG1-CG2 4.19Å; I43-V141 PolarHBondContact N-O 3.35Å; I43-V143 PolarHBondContact O-N 3.45Å; I43-A161 HydrophobicContact CG1-CB 4.37Å; I43-T163 HydrophobicContact CG2-CG2 4.06Å; I43-L271 HydrophobicContact CD1-CD1 4.27Å |
| 44 | A | 98.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 169.6 | 169 | 0 | 0 | 0 | 0 | 0 | 111.6 | V143 A161 I162 T163 K184 I187 | A44-V143 HydrophobicContact CB-CB 4.28Å; A44-V143 HydrophobicContact CB-CG2 3.92Å; A44-A161 PolarHBondContact N-O 3.42Å; A44-I162 HydrophobicContact CB-CG1 4.43Å; A44-I162 WeakPolarHBondContact O-CA 3.28Å; A44-T163 PolarHBondContact O-N 2.82Å; A44-T163 PolarHBondContact O-OG1 2.72Å; A44-K184 HydrophobicContact CB-CB 4.39Å; A44-I187 HydrophobicContact CB-CD1 3.61Å; A44-I187 HydrophobicContact CB-CG1 4.18Å; A44-I187 HydrophobicContact CB-CG2 4.25Å |
| 45 | G | 96.1 | Very high | 96.4 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.01 | 12% | 0.121 | C | C | . | . | trans | 153.2 | 166.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.6 | K49 T163 T164 K184 | G45-K49 WeakPolarHBondContact O-CD 3.37Å; G45-K49 PolarHBondContact O-NZ 3.47Å; G45-K49 VanDerWaalsContact O-NZ 3.14Å; G45-T163 WeakPolarHBondContact CA-OG1 3.29Å; G45-T164 CarbonylContact C-O 3.53Å; G45-T164 WeakPolarHBondContact CA-O 3.47Å; G45-K184 PolarHBondContact O-NZ 3.43Å | ||
| 46 | T | 92 | Very high | 96.4 | Very high | 7 Ų | 7 | 23.2 Ų | 23.2 | 4% | 0.043 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -80.7 | -60.1 | 171 | -46.8 | 0 | 0 | 0 | 0 | 107.7 | K49 T164 I165 G166 D168 K184 | T46-K49 PolarHBondContact O-NZ 3.05Å; T46-K49 VanDerWaalsContact O-NZ 3.11Å; T46-T164 PolarHBondContact N-O 3.15Å; T46-T164 PolarHBondContact OG1-O 3.16Å; T46-I165 WeakPolarHBondContact OG1-CA 3.31Å; T46-G166 PolarHBondContact OG1-N 2.95Å; T46-D168 HydrophobicContact CG2-CB 3.69Å; T46-K184 WeakPolarHBondContact OG1-CE 3.26Å |
| 47 | N | 88.4 | Confident | 96.4 | Very high | 94 Ų | 94 | 17.6 Ų | 17.6 | 50% | 0.503 | 9% | 0.094 | S | C | . | . | S | Bend | trans | -123.4 | 163.3 | 176.6 | -67.1 | -53.2 | 0 | 0 | 0 | 111.6 | K49 T163 T164 | N47-K49 VanDerWaalsContact C-N 3.33Å; N47-K49 PolarHBondContact O-N 3.21Å; N47-T163 WeakPolarHBondContact O-CB 3.3Å; N47-T163 PolarHBondContact O-OG1 3.45Å; N47-T164 PolarHBondContact N-OG1 3.01Å; N47-T164 PolarHBondContact O-OG1 2.86Å |
| 48 | G | 91.5 | Very high | 96.5 | Very high | 18 Ų | 18 | 11.6 Ų | 11.6 | 19% | 0.186 | 7% | 0.069 | C | C | . | . | S | Bend | trans | 87.1 | -7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | S51 T52 N264 | G48-S51 WeakPolarHBondContact CA-OG 3.4Å; G48-S51 PolarHBondContact O-N 3.13Å; G48-S51 PolarHBondContact O-OG 3.19Å; G48-T52 WeakPolarHBondContact O-CB 3.47Å; G48-T52 PolarHBondContact O-N 2.78Å; G48-T52 PolarHBondContact O-OG1 3.44Å; G48-T52 VanDerWaalsContact O-OG1 3.09Å; G48-N264 VanDerWaalsContact CA-ND2 3.27Å; G48-N264 WeakPolarHBondContact CA-ND2 3.4Å |
| 49 | K | 95.1 | Very high | 96.5 | Very high | 28 Ų | 28 | 11.1 Ų | 11.1 | 12% | 0.122 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -52.5 | -62.3 | 177.7 | -61.8 | -173.2 | -61.5 | -72.1 | 0 | 111.7 | I43 G45 T46 N47 S51 T52 V53 E142 V143 | I43-K49 HydrophobicContact CG2-CB 4.32Å; I43-K49 HydrophobicContact CG2-CG 4.41Å; G45-K49 WeakPolarHBondContact O-CD 3.37Å; G45-K49 PolarHBondContact O-NZ 3.47Å; G45-K49 VanDerWaalsContact O-NZ 3.14Å; T46-K49 PolarHBondContact O-NZ 3.05Å; T46-K49 VanDerWaalsContact O-NZ 3.11Å; N47-K49 VanDerWaalsContact C-N 3.33Å; N47-K49 PolarHBondContact O-N 3.21Å; K49-S51 PolarHBondContact O-N 3.16Å; K49-T52 PolarHBondContact O-N 3.16Å; K49-T52 VanDerWaalsContact O-N 3.08Å; K49-V53 WeakPolarHBondContact O-CG2 3.46Å; K49-V53 PolarHBondContact O-N 2.83Å; K49-E142 HydrophobicContact CB-CG 3.88Å; K49-E142 WeakPolarHBondContact CB-OE1 3.4Å; K49-E142 HydrophobicContact CD-CG 4Å; K49-E142 WeakPolarHBondContact CE-OE1 3.32Å; K49-V143 WeakPolarHBondContact CE-O 3.24Å |
| 50 | G | 92.9 | Very high | 96.5 | Very high | 6 Ų | 6 | 9.3 Ų | 9.3 | 6% | 0.062 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -54.5 | -43.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | V53 A54 | G50-V53 WeakPolarHBondContact O-CB 3.44Å; G50-V53 PolarHBondContact O-N 3.2Å; G50-A54 WeakPolarHBondContact O-CB 3.3Å; G50-A54 PolarHBondContact O-N 3.49Å |
| 51 | S | 94.1 | Very high | 96.5 | Very high | 5 Ų | 5 | 11.9 Ų | 11.9 | 4% | 0.035 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -66.3 | -38.9 | 175.5 | 45.7 | 0 | 0 | 0 | 0 | 113 | G48 K49 V53 A54 Y55 Q261 N264 | G48-S51 WeakPolarHBondContact CA-OG 3.4Å; G48-S51 PolarHBondContact O-N 3.13Å; G48-S51 PolarHBondContact O-OG 3.19Å; K49-S51 PolarHBondContact O-N 3.16Å; S51-V53 VanDerWaalsContact C-N 3.34Å; S51-A54 PolarHBondContact O-N 3.05Å; S51-Y55 WeakPolarHBondContact O-CD2 3.44Å; S51-Y55 PolarHBondContact O-N 2.9Å; S51-Q261 PolarHBondContact OG-OE1 2.9Å; S51-N264 PolarHBondContact OG-ND2 3.13Å |
| 52 | T | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -65 | -40.2 | 174.5 | -63.4 | 0 | 0 | 0 | 0 | 110.8 | I43 G48 K49 L56 T163 N264 V267 A268 L271 | I43-T52 HydrophobicContact CD1-CG2 3.9Å; G48-T52 WeakPolarHBondContact O-CB 3.47Å; G48-T52 PolarHBondContact O-N 2.78Å; G48-T52 PolarHBondContact O-OG1 3.44Å; G48-T52 VanDerWaalsContact O-OG1 3.09Å; K49-T52 PolarHBondContact O-N 3.16Å; K49-T52 VanDerWaalsContact O-N 3.08Å; T52-L56 VanDerWaalsContact O-CB 3.26Å; T52-L56 WeakPolarHBondContact O-CB 3.35Å; T52-L56 PolarHBondContact O-N 2.82Å; T52-T163 HydrophobicContact CG2-CG2 4.47Å; T52-N264 PolarHBondContact OG1-O 3.01Å; T52-V267 HydrophobicContact CG2-CB 4.09Å; T52-V267 HydrophobicContact CG2-CG1 3.75Å; T52-A268 HydrophobicContact CG2-CB 4.19Å; T52-L271 HydrophobicContact CG2-CD1 4.24Å |
| 53 | V | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -58.8 | -47.8 | 172.1 | 175 | 0 | 0 | 0 | 0 | 110.3 | I43 K49 G50 S51 L56 R57 T71 I140 E142 | I43-V53 HydrophobicContact CD1-CG2 3.9Å; K49-V53 WeakPolarHBondContact O-CG2 3.46Å; K49-V53 PolarHBondContact O-N 2.83Å; G50-V53 WeakPolarHBondContact O-CB 3.44Å; G50-V53 PolarHBondContact O-N 3.2Å; S51-V53 VanDerWaalsContact C-N 3.34Å; V53-L56 PolarHBondContact O-N 3Å; V53-R57 WeakPolarHBondContact O-CB 3.19Å; V53-R57 PolarHBondContact O-N 3.31Å; V53-T71 HydrophobicContact CB-CG2 4.23Å; V53-T71 HydrophobicContact CG1-CG2 3.73Å; V53-T71 HydrophobicContact CG2-CG2 4.46Å; V53-I140 HydrophobicContact CB-CG2 4.28Å; V53-I140 HydrophobicContact CG1-CB 4.33Å; V53-I140 HydrophobicContact CG1-CG2 4.07Å; V53-I140 HydrophobicContact CG2-CG2 3.91Å; V53-E142 HydrophobicContact CG2-CB 4.28Å |
| 54 | A | 96.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -59.9 | -48.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | G50 S51 S58 W297 | G50-A54 WeakPolarHBondContact O-CB 3.3Å; G50-A54 PolarHBondContact O-N 3.49Å; S51-A54 PolarHBondContact O-N 3.05Å; A54-S58 PolarHBondContact O-N 2.95Å; A54-S58 PolarHBondContact O-OG 2.94Å; A54-W297 HydrophobicContact CB-CB 4.23Å; A54-W297 HydrophobicContact CB-CD2 4.24Å; A54-W297 HydrophobicContact CB-CE3 3.76Å; A54-W297 HydrophobicContact CB-CG 4.44Å |
| 55 | Y | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.3 | -49.9 | 177.7 | -68.4 | -51.3 | 0 | 0 | 0 | 112.2 | S51 R57 S58 I59 V254 L256 N264 A265 L292 A295 | S51-Y55 WeakPolarHBondContact O-CD2 3.44Å; S51-Y55 PolarHBondContact O-N 2.9Å; Y55-R57 VanDerWaalsContact C-N 3.34Å; Y55-R57 PolarHBondContact O-N 2.71Å; Y55-S58 PolarHBondContact O-N 2.99Å; Y55-I59 VanDerWaalsContact O-CG1 3.25Å; Y55-I59 WeakPolarHBondContact O-CG1 3.34Å; Y55-I59 PolarHBondContact O-N 2.82Å; Y55-V254 HydrophobicContact CD1-CG1 4.13Å; Y55-V254 HydrophobicContact CE1-CB 3.82Å; Y55-V254 HydrophobicContact CE1-CG1 3.46Å; Y55-V254 VanDerWaalsContact CE1-CG1 3.46Å; Y55-V254 WeakPolarHBondContact OH-CB 3.4Å; Y55-L256 HydrophobicContact CE1-CD1 4.37Å; Y55-L256 HydrophobicContact CE1-CG 4.49Å; Y55-L256 HydrophobicContact CE2-CD1 4.24Å; Y55-L256 VanDerWaalsContact OH-CB 3.29Å; Y55-L256 WeakPolarHBondContact OH-CB 3.48Å; Y55-L256 WeakPolarHBondContact OH-CD1 3.41Å; Y55-L256 WeakPolarHBondContact OH-CG 3.34Å; Y55-N264 HydrophobicContact CE2-CB 4.47Å; Y55-A265 HydrophobicContact CD2-CB 3.87Å; Y55-A265 HydrophobicContact CE2-CB 3.93Å; Y55-A265 HydrophobicContact CG-CB 4.26Å; Y55-L292 HydrophobicContact CD1-CD2 3.64Å; Y55-L292 HydrophobicContact CE1-CD2 4.36Å; Y55-L292 HydrophobicContact CG-CD2 3.99Å; Y55-A295 HydrophobicContact CD1-CB 3.35Å; Y55-A295 HydrophobicContact CE1-CB 3.65Å; Y55-A295 HydrophobicContact CG-CB 4.38Å |
| 56 | L | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.5 | -42.1 | -177.8 | 178.6 | 59.5 | 0 | 0 | 0 | 111.3 | I41 I43 T52 V53 I59 L60 I140 A268 L271 | I41-L56 HydrophobicContact CD1-CD2 3.92Å; I41-L56 HydrophobicContact CG2-CD2 3.95Å; I43-L56 HydrophobicContact CD1-CD2 4.46Å; T52-L56 VanDerWaalsContact O-CB 3.26Å; T52-L56 WeakPolarHBondContact O-CB 3.35Å; T52-L56 PolarHBondContact O-N 2.82Å; V53-L56 PolarHBondContact O-N 3Å; L56-I59 PolarHBondContact O-N 3.06Å; L56-L60 HydrophobicContact CD1-CD1 3.81Å; L56-L60 HydrophobicContact CD1-CG 4.06Å; L56-L60 HydrophobicContact CG-CD1 3.83Å; L56-L60 HydrophobicContact CG-CG 4.5Å; L56-L60 WeakPolarHBondContact O-CB 3.22Å; L56-L60 WeakPolarHBondContact O-CG 3.41Å; L56-L60 PolarHBondContact O-N 2.91Å; L56-I140 HydrophobicContact CB-CD1 4.01Å; L56-I140 HydrophobicContact CD2-CD1 3.98Å; L56-I140 HydrophobicContact CD2-CG1 4.11Å; L56-I140 HydrophobicContact CD2-CG2 4.1Å; L56-I140 HydrophobicContact CG-CD1 3.7Å; L56-I140 HydrophobicContact CG-CG1 4.33Å; L56-A268 HydrophobicContact CB-CB 3.99Å; L56-L271 HydrophobicContact CD1-CB 4.16Å; L56-L271 HydrophobicContact CD2-CB 4.02Å; L56-L271 HydrophobicContact CD2-CD1 3.87Å |
| 57 | R | 98.5 | Very high | 96.9 | Very high | 22 Ų | 22 | 21.5 Ų | 21.5 | 8% | 0.083 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -56.6 | -53 | 174.4 | 177.2 | 176.1 | 64.2 | -156.5 | 0.3 | 110.9 | V53 Y55 I59 L60 I61 V67 S69 I140 | V53-R57 WeakPolarHBondContact O-CB 3.19Å; V53-R57 PolarHBondContact O-N 3.31Å; Y55-R57 VanDerWaalsContact C-N 3.34Å; Y55-R57 PolarHBondContact O-N 2.71Å; R57-I59 VanDerWaalsContact C-N 3.32Å; R57-I59 PolarHBondContact O-N 3.08Å; R57-L60 PolarHBondContact O-N 3.49Å; R57-I61 HydrophobicContact CG-CD1 3.59Å; R57-I61 HydrophobicContact CG-CG1 4.37Å; R57-I61 VanDerWaalsContact O-CG1 3.25Å; R57-I61 WeakPolarHBondContact O-CG1 3.42Å; R57-I61 PolarHBondContact O-N 3.05Å; R57-V67 HydrophobicContact CB-CG1 4.36Å; R57-V67 HydrophobicContact CG-CG1 4.05Å; R57-S69 WeakPolarHBondContact CD-OG 3.29Å; R57-S69 PolarHBondContact NH1-OG 2.65Å; R57-I140 HydrophobicContact CB-CD1 3.8Å; R57-I140 VanDerWaalsContact N-CD1 3.34Å |
| 58 | S | 98.4 | Very high | 97.4 | Very high | 13 Ų | 13 | 17 Ų | 17 | 9% | 0.091 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -66.3 | -33.2 | -176.9 | -64.6 | 0 | 0 | 0 | 0 | 113 | A54 Y55 E62 G291 A295 | A54-S58 PolarHBondContact O-N 2.95Å; A54-S58 PolarHBondContact O-OG 2.94Å; Y55-S58 PolarHBondContact O-N 2.99Å; S58-E62 WeakPolarHBondContact O-CB 3.49Å; S58-E62 PolarHBondContact O-N 3.28Å; S58-E62 VanDerWaalsContact O-N 3.07Å; S58-G291 WeakPolarHBondContact CB-O 3.29Å; S58-G291 WeakPolarHBondContact O-CA 3.39Å; S58-A295 WeakPolarHBondContact OG-CA 3.23Å |
| 59 | I | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -67.6 | -45.8 | 173.6 | -64.2 | 164.4 | 0 | 0 | 0 | 111.2 | Y55 L56 R57 E62 A63 I269 Y272 I288 L292 | Y55-I59 VanDerWaalsContact O-CG1 3.25Å; Y55-I59 WeakPolarHBondContact O-CG1 3.34Å; Y55-I59 PolarHBondContact O-N 2.82Å; L56-I59 PolarHBondContact O-N 3.06Å; R57-I59 VanDerWaalsContact C-N 3.32Å; R57-I59 PolarHBondContact O-N 3.08Å; I59-E62 PolarHBondContact O-N 3.16Å; I59-A63 PolarHBondContact O-N 2.84Å; I59-I269 HydrophobicContact CD1-CG1 4.34Å; I59-Y272 HydrophobicContact CG2-CD1 3.48Å; I59-Y272 VanDerWaalsContact CG2-CD1 3.48Å; I59-Y272 HydrophobicContact CG2-CD2 3.59Å; I59-Y272 HydrophobicContact CG2-CE1 3.67Å; I59-Y272 HydrophobicContact CG2-CE2 3.75Å; I59-Y272 HydrophobicContact CG2-CG 3.45Å; I59-Y272 VanDerWaalsContact CG2-CG 3.45Å; I59-I288 HydrophobicContact CD1-CG2 4.45Å; I59-I288 HydrophobicContact CG2-CG1 4.36Å; I59-L292 HydrophobicContact CD1-CD2 3.82Å; I59-L292 HydrophobicContact CD1-CG 4.11Å; I59-L292 HydrophobicContact CG1-CD2 4.4Å; I59-L292 HydrophobicContact CG1-CG 4.37Å |
| 60 | L | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -65.8 | -40.7 | 179.5 | -75.4 | 168.1 | 0 | 0 | 0 | 112.3 | I41 L56 R57 A63 G64 V65 V67 V138 I140 Y272 Y275 | I41-L60 HydrophobicContact CD1-CD1 4.48Å; L56-L60 HydrophobicContact CD1-CD1 3.81Å; L56-L60 HydrophobicContact CD1-CG 4.06Å; L56-L60 HydrophobicContact CG-CD1 3.83Å; L56-L60 HydrophobicContact CG-CG 4.5Å; L56-L60 WeakPolarHBondContact O-CB 3.22Å; L56-L60 WeakPolarHBondContact O-CG 3.41Å; L56-L60 PolarHBondContact O-N 2.91Å; R57-L60 PolarHBondContact O-N 3.49Å; L60-A63 CarbonylContact O-C 3.58Å; L60-A63 WeakPolarHBondContact O-CA 3.25Å; L60-A63 WeakPolarHBondContact O-CB 3.5Å; L60-A63 PolarHBondContact O-N 2.97Å; L60-A63 VanDerWaalsContact O-N 3.11Å; L60-G64 PolarHBondContact O-N 3.39Å; L60-V65 HydrophobicContact CB-CB 4.24Å; L60-V65 HydrophobicContact CD2-CB 4.44Å; L60-V65 HydrophobicContact CD2-CG2 4.17Å; L60-V65 WeakPolarHBondContact O-CB 3.25Å; L60-V65 PolarHBondContact O-N 3.16Å; L60-V67 HydrophobicContact CB-CG2 3.4Å; L60-V67 HydrophobicContact CD1-CG2 4.14Å; L60-V67 HydrophobicContact CG-CG2 4.39Å; L60-V138 HydrophobicContact CD1-CG1 3.97Å; L60-I140 HydrophobicContact CD1-CD1 4.1Å; L60-I140 HydrophobicContact CD1-CG1 4.43Å; L60-Y272 HydrophobicContact CD2-CD2 3.73Å; L60-Y272 HydrophobicContact CD2-CE2 3.98Å; L60-Y272 HydrophobicContact CG-CD2 4.19Å; L60-Y275 HydrophobicContact CD2-CD1 3.46Å; L60-Y275 VanDerWaalsContact CD2-CD1 3.46Å; L60-Y275 HydrophobicContact CD2-CE1 3.59Å; L60-Y275 HydrophobicContact CD2-CG 4.02Å |
| 61 | I | 98.5 | Very high | 97.9 | Very high | 55 Ų | 55 | 14.7 Ų | 14.7 | 28% | 0.282 | 10% | 0.099 | S | C | . | . | H | α-helix | trans | -61.2 | -44.5 | 173.3 | -67.3 | 165.6 | 0 | 0 | 0 | 110.5 | R57 A63 G64 V67 D85 A86 | R57-I61 HydrophobicContact CG-CD1 3.59Å; R57-I61 HydrophobicContact CG-CG1 4.37Å; R57-I61 VanDerWaalsContact O-CG1 3.25Å; R57-I61 WeakPolarHBondContact O-CG1 3.42Å; R57-I61 PolarHBondContact O-N 3.05Å; I61-A63 PolarHBondContact O-N 2.98Å; I61-G64 PolarHBondContact O-N 3.24Å; I61-V67 HydrophobicContact CG1-CB 4.28Å; I61-V67 HydrophobicContact CG1-CG2 4.25Å; I61-D85 HydrophobicContact CD1-CB 4.25Å; I61-D85 HydrophobicContact CG1-CB 4.36Å; I61-A86 HydrophobicContact CD1-CB 4.2Å |
| 62 | E | 98.2 | Very high | 97.8 | Very high | 45 Ų | 45 | 15.9 Ų | 15.9 | 21% | 0.21 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.5 | -29.9 | 175.9 | -175.6 | 66.2 | -159.5 | 0 | 0 | 112 | S58 I59 G64 T287 K290 K294 | S58-E62 WeakPolarHBondContact O-CB 3.49Å; S58-E62 PolarHBondContact O-N 3.28Å; S58-E62 VanDerWaalsContact O-N 3.07Å; I59-E62 PolarHBondContact O-N 3.16Å; E62-G64 PolarHBondContact O-N 2.88Å; E62-T287 HydrophobicContact CB-CG2 4.19Å; E62-T287 HydrophobicContact CG-CG2 3.98Å; E62-K290 HydrophobicContact CG-CB 3.83Å; E62-K290 HydrophobicContact CG-CD 4.43Å; E62-K290 WeakPolarHBondContact OE1-CD 3.47Å; E62-K290 IonicContact OE1-NZ 2.7Å; E62-K290 PolarHBondContact OE1-NZ 3.34Å; E62-K294 WeakPolarHBondContact OE2-CE 3.33Å; E62-K294 IonicContact OE2-NZ 2.94Å; E62-K294 PolarHBondContact OE2-NZ 3.26Å |
| 63 | A | 97.9 | Very high | 97.2 | Very high | 37 Ų | 37 | 19.6 Ų | 19.6 | 31% | 0.306 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | -1.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | I59 L60 I61 V65 Y272 T287 | I59-A63 PolarHBondContact O-N 2.84Å; L60-A63 CarbonylContact O-C 3.58Å; L60-A63 WeakPolarHBondContact O-CA 3.25Å; L60-A63 WeakPolarHBondContact O-CB 3.5Å; L60-A63 PolarHBondContact O-N 2.97Å; L60-A63 VanDerWaalsContact O-N 3.11Å; I61-A63 PolarHBondContact O-N 2.98Å; A63-V65 HydrophobicContact CB-CG2 4.31Å; A63-Y272 HydrophobicContact CB-CE2 3.93Å; A63-Y272 WeakPolarHBondContact CB-OH 3.22Å; A63-T287 HydrophobicContact CB-CG2 3.8Å |
| 64 | G | 97.6 | Very high | 96.4 | Very high | 66 Ų | 66 | 21 Ų | 21 | 68% | 0.68 | 14% | 0.137 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.8 | 21.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | L60 I61 E62 | L60-G64 PolarHBondContact O-N 3.39Å; I61-G64 PolarHBondContact O-N 3.24Å; E62-G64 PolarHBondContact O-N 2.88Å |
| 65 | V | 98.5 | Very high | 95.4 | Very high | 11 Ų | 11 | 21.3 Ų | 21.3 | 7% | 0.067 | 14% | 0.139 | C | C | . | . | trans | -90.5 | 135.3 | 175.4 | -177.3 | 0 | 0 | 0 | 0 | 108.8 | L60 A63 V67 D137 V138 Y275 L281 | L60-V65 HydrophobicContact CB-CB 4.24Å; L60-V65 HydrophobicContact CD2-CB 4.44Å; L60-V65 HydrophobicContact CD2-CG2 4.17Å; L60-V65 WeakPolarHBondContact O-CB 3.25Å; L60-V65 PolarHBondContact O-N 3.16Å; A63-V65 HydrophobicContact CB-CG2 4.31Å; V65-V67 HydrophobicContact CB-CG2 4.23Å; V65-V67 HydrophobicContact CG1-CG2 4.04Å; V65-V67 WeakPolarHBondContact O-CG2 3.45Å; V65-V67 PolarHBondContact O-N 3.01Å; V65-D137 HydrophobicContact CG1-CB 3.54Å; V65-V138 HydrophobicContact CG1-CG1 3.87Å; V65-Y275 HydrophobicContact CG1-CE1 4.39Å; V65-Y275 WeakPolarHBondContact CG1-OH 3.41Å; V65-Y275 HydrophobicContact CG2-CE1 4.02Å; V65-L281 HydrophobicContact CG2-CD1 4.29Å | ||
| 66 | T | 98.7 | Very high | 94.3 | Very high | 51 Ų | 51 | 23.3 Ų | 23.3 | 31% | 0.313 | 15% | 0.148 | S | C | . | . | trans | -80.1 | 116.7 | 171.9 | -64.6 | 0 | 0 | 0 | 0 | 109.7 | I84 D85 V136 D137 V138 | T66-I84 HydrophobicContact CG2-CG2 3.88Å; T66-D85 WeakPolarHBondContact CA-OD1 3.42Å; T66-V136 HydrophobicContact CG2-CB 4.31Å; T66-V136 HydrophobicContact CG2-CG1 4.19Å; T66-D137 PolarHBondContact N-OD2 3.45Å; T66-D137 WeakPolarHBondContact O-CB 3.38Å; T66-D137 PolarHBondContact O-N 2.95Å; T66-V138 PolarHBondContact O-N 3.12Å | ||
| 67 | V | 98.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 116.9 | -166.7 | 179.2 | 0 | 0 | 0 | 0 | 111.1 | R57 L60 I61 V65 I84 D85 V138 I140 | R57-V67 HydrophobicContact CB-CG1 4.36Å; R57-V67 HydrophobicContact CG-CG1 4.05Å; L60-V67 HydrophobicContact CB-CG2 3.4Å; L60-V67 HydrophobicContact CD1-CG2 4.14Å; L60-V67 HydrophobicContact CG-CG2 4.39Å; I61-V67 HydrophobicContact CG1-CB 4.28Å; I61-V67 HydrophobicContact CG1-CG2 4.25Å; V65-V67 HydrophobicContact CB-CG2 4.23Å; V65-V67 HydrophobicContact CG1-CG2 4.04Å; V65-V67 WeakPolarHBondContact O-CG2 3.45Å; V65-V67 PolarHBondContact O-N 3.01Å; V67-I84 CarbonylContact O-C 3.6Å; V67-I84 WeakPolarHBondContact O-CA 3.26Å; V67-D85 PolarHBondContact N-OD1 3.45Å; V67-D85 PolarHBondContact O-N 2.73Å; V67-V138 WeakPolarHBondContact CA-O 3.35Å; V67-V138 HydrophobicContact CG2-CG1 4.21Å; V67-I140 HydrophobicContact CG1-CD1 3.68Å; V67-I140 HydrophobicContact CG1-CG1 3.99Å |
| 68 | G | 98.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 143.5 | 160.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | A83 V138 A139 I140 | G68-A83 CarbonylContact C-O 3.53Å; G68-A83 WeakPolarHBondContact CA-O 3.35Å; G68-V138 PolarHBondContact N-O 3.13Å; G68-A139 CarbonylContact O-C 3.58Å; G68-A139 VanDerWaalsContact O-CA 3.27Å; G68-A139 WeakPolarHBondContact O-CA 3.42Å; G68-I140 PolarHBondContact O-N 3.11Å |
| 69 | S | 98.5 | Very high | 93 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 134 | 171.6 | 58.6 | 0 | 0 | 0 | 0 | 112.1 | R57 A83 F131 I140 | R57-S69 WeakPolarHBondContact CD-OG 3.29Å; R57-S69 PolarHBondContact NH1-OG 2.65Å; S69-A83 PolarHBondContact N-O 3.1Å; S69-A83 PolarHBondContact O-N 3.08Å; S69-F131 VanDerWaalsContact N-CZ 3.29Å; S69-F131 WeakPolarHBondContact O-CZ 3.39Å; S69-I140 WeakPolarHBondContact CA-O 3.11Å |
| 70 | F | 98.3 | Very high | 92.7 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 0% | 0.004 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 122 | 176.6 | -170.7 | -118.5 | 0 | 0 | 0 | 110.2 | R81 I82 F120 L123 M127 I140 V141 E142 T152 | F70-R81 WeakPolarHBondContact CA-O 3.26Å; F70-R81 WeakPolarHBondContact CD2-O 3.41Å; F70-I82 HydrophobicContact CD2-CG1 3.97Å; F70-I82 HydrophobicContact CE2-CG1 4.02Å; F70-F120 AromaticContact CE1-CE2 3.82Å; F70-F120 HydrophobicContact CE1-CE2 3.82Å; F70-F120 AromaticContact CE1-CZ 3.84Å; F70-F120 HydrophobicContact CE1-CZ 3.84Å; F70-F120 HydrophobicContact CZ-CE2 4.05Å; F70-F120 HydrophobicContact CZ-CZ 4.46Å; F70-L123 HydrophobicContact CE2-CB 4.23Å; F70-L123 HydrophobicContact CZ-CB 4.13Å; F70-M127 HydrophobicContact CB-CE 3.93Å; F70-M127 HydrophobicContact CB-CG 3.85Å; F70-M127 HydrophobicContact CB-SD 4.19Å; F70-M127 HydrophobicContact CD1-CE 3.9Å; F70-M127 HydrophobicContact CD2-CB 3.79Å; F70-M127 HydrophobicContact CD2-CE 4.27Å; F70-M127 HydrophobicContact CD2-CG 3.59Å; F70-M127 HydrophobicContact CE1-CE 4.45Å; F70-M127 HydrophobicContact CE2-CB 4.04Å; F70-M127 HydrophobicContact CE2-CG 4.34Å; F70-M127 HydrophobicContact CG-CB 4.42Å; F70-M127 HydrophobicContact CG-CE 3.78Å; F70-M127 HydrophobicContact CG-CG 3.87Å; F70-M127 HydrophobicContact CG-SD 4.45Å; F70-I140 PolarHBondContact N-O 2.7Å; F70-V141 HydrophobicContact CB-CG1 4.33Å; F70-V141 HydrophobicContact CB-CG2 4.4Å; F70-V141 HydrophobicContact CD1-CG1 4.05Å; F70-E142 WeakPolarHBondContact O-CB 3.5Å; F70-E142 PolarHBondContact O-N 3.16Å; F70-T152 HydrophobicContact CD1-CG2 4.16Å; F70-T152 HydrophobicContact CE1-CG2 3.96Å |
| 71 | T | 95.1 | Very high | 92.6 | Very high | 2 Ų | 2 | 27.9 Ų | 27.9 | 1% | 0.012 | 17% | 0.169 | C | C | . | . | trans | -133.8 | 160.3 | -178.2 | 57.1 | 0 | 0 | 0 | 0 | 111.9 | V53 R81 E142 W297 | V53-T71 HydrophobicContact CB-CG2 4.23Å; V53-T71 HydrophobicContact CG1-CG2 3.73Å; V53-T71 HydrophobicContact CG2-CG2 4.46Å; T71-R81 PolarHBondContact N-O 3.22Å; T71-R81 VanDerWaalsContact N-O 3.1Å; T71-R81 VanDerWaalsContact O-CB 3.28Å; T71-R81 WeakPolarHBondContact O-CB 3.4Å; T71-R81 WeakPolarHBondContact O-CG 3.43Å; T71-E142 VanDerWaalsContact CA-OE2 3.23Å; T71-E142 WeakPolarHBondContact CA-OE2 3.31Å; T71-E142 WeakPolarHBondContact CB-OE2 3.39Å; T71-W297 HydrophobicContact CG2-CH2 3.61Å; T71-W297 HydrophobicContact CG2-CZ3 3.99Å | ||
| 72 | S | 90.7 | Very high | 92.6 | Very high | 30 Ų | 30 | 25.4 Ų | 25.4 | 21% | 0.21 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -157.8 | 152.1 | 173.5 | 67.5 | 0 | 0 | 0 | 0 | 113.5 | E142 | S72-E142 PolarHBondContact N-OE2 3.06Å; S72-E142 VanDerWaalsContact N-OE2 3.11Å |
| 73 | P | 85.9 | Confident | 92.6 | Very high | 78 Ų | 78 | 23.4 Ų | 23.4 | 51% | 0.506 | 15% | 0.147 | S | C | . | . | S | Bend | cis | -66.6 | 174.1 | -12.5 | 33.4 | -36.7 | 0 | 0 | 0 | 111.2 | L416 | P73-L416 HydrophobicContact CG-CD1 4.35Š|
| 74 | Y | 81.3 | Confident | 92.6 | Very high | 31 Ų | 31 | 22.7 Ų | 22.7 | 12% | 0.122 | 14% | 0.138 | C | C | . | . | trans | -69.3 | 149.6 | 165.1 | 63.8 | -83.8 | 0 | 0 | 0 | 109.6 | E77 R81 | Y74-E77 WeakPolarHBondContact CB-O 3.28Å; Y74-R81 VanDerWaalsContact CD1-CZ 3.5Å | ||
| 75 | I | 75.9 | Confident | 92.6 | Very high | 6 Ų | 6 | 22.2 Ų | 22.2 | 3% | 0.031 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -98.9 | -60.7 | 176.5 | -58.2 | 158.1 | 0 | 0 | 0 | 108.1 | E80 W297 P298 A299 L416 S420 | I75-E80 WeakPolarHBondContact CA-OE1 3.31Å; I75-E80 WeakPolarHBondContact CB-OE1 3.35Å; I75-E80 PolarHBondContact N-OE1 3.47Å; I75-W297 HydrophobicContact CD1-CZ2 4.15Å; I75-P298 HydrophobicContact CB-CB 4.49Å; I75-P298 HydrophobicContact CD1-CB 4.26Å; I75-P298 WeakPolarHBondContact CD1-O 3.41Å; I75-P298 HydrophobicContact CG2-CB 3.93Å; I75-A299 HydrophobicContact CG2-CB 3.79Å; I75-L416 HydrophobicContact CG2-CD2 4.25Å; I75-S420 WeakPolarHBondContact O-CB 3.46Å; I75-S420 PolarHBondContact O-OG 2.73Å |
| 76 | E | 74.5 | Confident | 92.5 | Very high | 41 Ų | 41 | 23.8 Ų | 23.8 | 19% | 0.192 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -101.7 | -50.6 | -172.7 | -61.1 | 175.7 | -170.9 | 0 | 0 | 113 | E80 P298 R424 M425 | E76-E80 WeakPolarHBondContact CA-OE2 3.36Å; E76-E80 WeakPolarHBondContact CB-OE2 3.48Å; E76-E80 PolarHBondContact N-OE2 3.44Å; E76-P298 HydrophobicContact CG-CB 4.38Å; E76-P298 WeakPolarHBondContact OE1-CB 3.44Å; E76-P298 VanDerWaalsContact OE1-CG 3.25Å; E76-P298 WeakPolarHBondContact OE1-CG 3.4Å; E76-R424 WeakPolarHBondContact OE1-CD 3.49Å; E76-R424 IonicContact OE1-CZ 2.96Å; E76-R424 IonicContact OE1-NE 3.91Å; E76-R424 PolarHBondContact OE1-NE 3.01Å; E76-R424 IonicContact OE1-NH1 3.09Å; E76-R424 PolarHBondContact OE1-NH1 3.21Å; E76-R424 IonicContact OE1-NH2 2.68Å; E76-R424 PolarHBondContact OE1-NH2 3.42Å; E76-R424 IonicContact OE2-NE 3.81Å; E76-M425 HydrophobicContact CB-SD 4.34Å |
| 77 | E | 84.8 | Confident | 92.4 | Very high | 74 Ų | 74 | 27.7 Ų | 27.7 | 35% | 0.346 | 15% | 0.148 | S | C | . | . | trans | -136 | 148.9 | -175.9 | 63.1 | 174.9 | -157.4 | 0 | 0 | 112.4 | Y74 N79 E80 P88 | Y74-E77 WeakPolarHBondContact CB-O 3.28Å; E77-N79 PolarHBondContact O-N 3.06Å; E77-N79 VanDerWaalsContact O-N 3.09Å; E77-E80 HydrophobicContact CG-CB 4Å; E77-E80 PolarHBondContact N-OE2 3.31Å; E77-E80 VanDerWaalsContact O-CG 3.23Å; E77-E80 WeakPolarHBondContact O-CG 3.36Å; E77-E80 PolarHBondContact O-N 2.88Å; E77-P88 WeakPolarHBondContact OE1-CB 3.36Å; E77-P88 WeakPolarHBondContact OE1-CG 3.43Å | ||
| 78 | F | 89.6 | Confident | 92.3 | Very high | 14 Ų | 14 | 29.5 Ų | 29.5 | 6% | 0.061 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -53.1 | -38.8 | -176 | -176.8 | -76.2 | 0 | 0 | 0 | 112.6 | I6 I9 H10 R81 L94 L123 | I6-F78 HydrophobicContact CB-CD2 4.19Å; I6-F78 HydrophobicContact CB-CE2 4.36Å; I6-F78 HydrophobicContact CB-CG 4.49Å; I6-F78 HydrophobicContact CD1-CB 3.62Å; I6-F78 HydrophobicContact CD1-CD1 4.16Å; I6-F78 HydrophobicContact CD1-CD2 4.2Å; I6-F78 HydrophobicContact CD1-CG 3.74Å; I6-F78 HydrophobicContact CG1-CB 4.16Å; I6-F78 HydrophobicContact CG1-CD1 3.84Å; I6-F78 HydrophobicContact CG1-CD2 3.87Å; I6-F78 HydrophobicContact CG1-CE1 4.25Å; I6-F78 HydrophobicContact CG1-CE2 4.24Å; I6-F78 HydrophobicContact CG1-CG 3.68Å; I6-F78 HydrophobicContact CG1-CZ 4.45Å; I6-F78 HydrophobicContact CG2-CD2 3.46Å; I6-F78 VanDerWaalsContact CG2-CD2 3.46Å; I6-F78 HydrophobicContact CG2-CE2 3.77Å; I6-F78 HydrophobicContact CG2-CG 4.13Å; I9-F78 HydrophobicContact CB-CE2 4.42Å; I9-F78 HydrophobicContact CB-CZ 3.96Å; I9-F78 HydrophobicContact CD1-CE1 3.71Å; I9-F78 HydrophobicContact CD1-CZ 3.43Å; I9-F78 VanDerWaalsContact CD1-CZ 3.43Å; I9-F78 HydrophobicContact CG1-CZ 4.29Å; I9-F78 HydrophobicContact CG2-CE2 4.31Å; I9-F78 HydrophobicContact CG2-CZ 3.8Å; H10-F78 AromaticContact CE1-CD2 3.7Å; H10-F78 AromaticContact CE1-CE2 3.42Å; H10-F78 VanDerWaalsContact CE1-CE2 3.42Å; H10-F78 WeakPolarHBondContact CE1-CE2 3.36Å; H10-F78 AromaticContact ND1-CE2 3.96Å; H10-F78 AromaticContact NE2-CD2 3.72Å; H10-F78 AromaticContact NE2-CE2 3.8Å; F78-R81 PolarHBondContact O-NE 3.32Å; F78-R81 PolarHBondContact O-NH2 3.07Å; F78-L94 HydrophobicContact CD1-CD2 3.65Å; F78-L94 HydrophobicContact CE1-CD2 3.75Å; F78-L123 HydrophobicContact CE1-CD2 3.82Å; F78-L123 HydrophobicContact CZ-CD2 3.86Å |
| 79 | N | 94.7 | Very high | 92.3 | Very high | 7 Ų | 7 | 29.6 Ų | 29.6 | 4% | 0.037 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -74.8 | -26.8 | -170.9 | -62.5 | 26.2 | 0 | 0 | 0 | 112.8 | E77 R81 I82 P88 I89 D91 L94 | E77-N79 PolarHBondContact O-N 3.06Å; E77-N79 VanDerWaalsContact O-N 3.09Å; N79-R81 PolarHBondContact O-N 2.87Å; N79-I82 CarbonylContact O-C 3.51Å; N79-I82 PolarHBondContact O-N 3.43Å; N79-P88 HydrophobicContact CB-CB 4.08Å; N79-I89 HydrophobicContact CB-CG2 3.84Å; N79-I89 WeakPolarHBondContact CB-O 3.33Å; N79-I89 PolarHBondContact ND2-O 2.89Å; N79-D91 PolarHBondContact ND2-OD1 2.89Å; N79-L94 WeakPolarHBondContact OD1-CD2 3.41Å |
| 80 | E | 92.8 | Very high | 92.3 | Very high | 26 Ų | 26 | 32.4 Ų | 32.4 | 12% | 0.121 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -59.7 | -23 | -174.6 | 80.9 | -173.5 | -144.4 | 0 | 0 | 113.6 | I75 E76 E77 I82 P88 | I75-E80 WeakPolarHBondContact CA-OE1 3.31Å; I75-E80 WeakPolarHBondContact CB-OE1 3.35Å; I75-E80 PolarHBondContact N-OE1 3.47Å; E76-E80 WeakPolarHBondContact CA-OE2 3.36Å; E76-E80 WeakPolarHBondContact CB-OE2 3.48Å; E76-E80 PolarHBondContact N-OE2 3.44Å; E77-E80 HydrophobicContact CG-CB 4Å; E77-E80 PolarHBondContact N-OE2 3.31Å; E77-E80 VanDerWaalsContact O-CG 3.23Å; E77-E80 WeakPolarHBondContact O-CG 3.36Å; E77-E80 PolarHBondContact O-N 2.88Å; E80-I82 PolarHBondContact O-N 2.81Å; E80-I82 VanDerWaalsContact O-N 3.17Å; E80-P88 HydrophobicContact CB-CG 4.16Å |
| 81 | R | 95.5 | Very high | 92.2 | Very high | 11 Ų | 11 | 36.1 Ų | 36.1 | 4% | 0.042 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -60.3 | -22.6 | 175.9 | -71.3 | 179.4 | -74.1 | -177.3 | -4.5 | 112.5 | F70 T71 Y74 F78 N79 E119 | F70-R81 WeakPolarHBondContact CA-O 3.26Å; F70-R81 WeakPolarHBondContact CD2-O 3.41Å; T71-R81 PolarHBondContact N-O 3.22Å; T71-R81 VanDerWaalsContact N-O 3.1Å; T71-R81 VanDerWaalsContact O-CB 3.28Å; T71-R81 WeakPolarHBondContact O-CB 3.4Å; T71-R81 WeakPolarHBondContact O-CG 3.43Å; Y74-R81 VanDerWaalsContact CD1-CZ 3.5Å; F78-R81 PolarHBondContact O-NE 3.32Å; F78-R81 PolarHBondContact O-NH2 3.07Å; N79-R81 PolarHBondContact O-N 2.87Å; R81-E119 IonicContact NH1-OE1 3.96Å; R81-E119 PolarHBondContact NH1-OE1 3.21Å |
| 82 | I | 98.4 | Very high | 92.4 | Very high | 3 Ų | 3 | 40.9 Ų | 40.9 | 2% | 0.015 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 106.3 | 176.8 | -52.7 | 176.7 | 0 | 0 | 0 | 106.4 | F70 N79 E80 I89 L123 I126 M127 Y130 F131 | F70-I82 HydrophobicContact CD2-CG1 3.97Å; F70-I82 HydrophobicContact CE2-CG1 4.02Å; N79-I82 CarbonylContact O-C 3.51Å; N79-I82 PolarHBondContact O-N 3.43Å; E80-I82 PolarHBondContact O-N 2.81Å; E80-I82 VanDerWaalsContact O-N 3.17Å; I82-I89 HydrophobicContact CB-CB 4.35Å; I82-I89 HydrophobicContact CB-CG2 3.99Å; I82-I89 HydrophobicContact CG2-CB 4.37Å; I82-I89 HydrophobicContact CG2-CG2 4.49Å; I82-I89 PolarHBondContact O-N 2.88Å; I82-L123 HydrophobicContact CD1-CD2 4.41Å; I82-I126 HydrophobicContact CD1-CB 4.36Å; I82-I126 HydrophobicContact CD1-CG2 3.85Å; I82-M127 HydrophobicContact CD1-CB 3.93Å; I82-M127 HydrophobicContact CG1-CB 3.99Å; I82-M127 HydrophobicContact CG1-CG 4.46Å; I82-M127 HydrophobicContact CG2-CB 4.19Å; I82-M127 HydrophobicContact CG2-CG 4.21Å; I82-Y130 HydrophobicContact CG2-CD1 3.61Å; I82-Y130 HydrophobicContact CG2-CE1 4.25Å; I82-F131 HydrophobicContact CG2-CE1 3.78Å; I82-F131 HydrophobicContact CG2-CZ 3.95Å |
| 83 | A | 98.2 | Very high | 92.7 | Very high | 2 Ų | 2 | 42.1 Ų | 42.1 | 2% | 0.017 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 146.7 | -177 | 0 | 0 | 0 | 0 | 0 | 112 | G68 S69 Q87 | G68-A83 CarbonylContact C-O 3.53Å; G68-A83 WeakPolarHBondContact CA-O 3.35Å; S69-A83 PolarHBondContact N-O 3.1Å; S69-A83 PolarHBondContact O-N 3.08Å; A83-Q87 CarbonylContact C-O 3.52Å; A83-Q87 WeakPolarHBondContact CA-O 3.14Å; A83-Q87 VanDerWaalsContact CB-O 3.28Å; A83-Q87 WeakPolarHBondContact CB-O 3.15Å |
| 84 | I | 98.7 | Very high | 93.3 | Very high | 22 Ų | 22 | 38.5 Ų | 38.5 | 11% | 0.113 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 127.6 | 169.2 | -62.7 | 179.2 | 0 | 0 | 0 | 107.7 | T66 V67 A86 Q87 Y130 F131 E134 V136 | T66-I84 HydrophobicContact CG2-CG2 3.88Å; V67-I84 CarbonylContact O-C 3.6Å; V67-I84 WeakPolarHBondContact O-CA 3.26Å; I84-A86 PolarHBondContact O-N 2.52Å; I84-Q87 PolarHBondContact N-O 2.81Å; I84-Q87 WeakPolarHBondContact O-CA 3.46Å; I84-Q87 WeakPolarHBondContact O-CB 3.5Å; I84-Q87 PolarHBondContact O-N 2.78Å; I84-Y130 HydrophobicContact CD1-CD1 4.18Å; I84-Y130 HydrophobicContact CD1-CE1 3.55Å; I84-Y130 HydrophobicContact CD1-CE2 4.31Å; I84-Y130 HydrophobicContact CG1-CD1 4.47Å; I84-Y130 HydrophobicContact CG1-CE1 3.79Å; I84-F131 HydrophobicContact CD1-CD1 4.18Å; I84-F131 HydrophobicContact CD1-CE1 4.49Å; I84-F131 HydrophobicContact CG1-CD1 3.93Å; I84-F131 HydrophobicContact CG1-CE1 3.8Å; I84-E134 HydrophobicContact CD1-CB 3.46Å; I84-E134 VanDerWaalsContact CD1-CB 3.46Å; I84-E134 HydrophobicContact CD1-CG 3.62Å; I84-V136 HydrophobicContact CD1-CG1 3.79Å; I84-V136 HydrophobicContact CG1-CG1 3.93Å; I84-V136 HydrophobicContact CG2-CG1 4.19Å |
| 85 | D | 97.9 | Very high | 94.1 | Very high | 57 Ų | 57 | 38.2 Ų | 38.2 | 31% | 0.305 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | 41.2 | -178.4 | -61.2 | -23 | 0 | 0 | 0 | 113.1 | I61 T66 V67 Q87 | I61-D85 HydrophobicContact CD1-CB 4.25Å; I61-D85 HydrophobicContact CG1-CB 4.36Å; T66-D85 WeakPolarHBondContact CA-OD1 3.42Å; V67-D85 PolarHBondContact N-OD1 3.45Å; V67-D85 PolarHBondContact O-N 2.73Å; D85-Q87 PolarHBondContact O-N 2.79Å |
| 86 | A | 95.5 | Very high | 95.2 | Very high | 43 Ų | 43 | 41.7 Ų | 41.7 | 36% | 0.355 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.8 | 13.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | I61 I84 | I61-A86 HydrophobicContact CD1-CB 4.2Å; I84-A86 PolarHBondContact O-N 2.52Å |
| 87 | Q | 97.1 | Very high | 96.3 | Very high | 133 Ų | 133 | 40.2 Ų | 40.2 | 62% | 0.621 | 22% | 0.217 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 119.5 | 168.6 | -58.2 | -54.7 | -62.2 | 0 | 0 | 109.9 | A83 I84 D85 | A83-Q87 CarbonylContact C-O 3.52Å; A83-Q87 WeakPolarHBondContact CA-O 3.14Å; A83-Q87 VanDerWaalsContact CB-O 3.28Å; A83-Q87 WeakPolarHBondContact CB-O 3.15Å; I84-Q87 PolarHBondContact N-O 2.81Å; I84-Q87 WeakPolarHBondContact O-CA 3.46Å; I84-Q87 WeakPolarHBondContact O-CB 3.5Å; I84-Q87 PolarHBondContact O-N 2.78Å; D85-Q87 PolarHBondContact O-N 2.79Å |
| 88 | P | 96.7 | Very high | 97 | Very high | 39 Ų | 39 | 36.8 Ų | 36.8 | 25% | 0.253 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -53.8 | 148.4 | 173.9 | -29.2 | 38.8 | 0 | 0 | 0 | 112.6 | E77 N79 E80 P90 | E77-P88 WeakPolarHBondContact OE1-CB 3.36Å; E77-P88 WeakPolarHBondContact OE1-CG 3.43Å; N79-P88 HydrophobicContact CB-CB 4.08Å; E80-P88 HydrophobicContact CB-CG 4.16Å; P88-P90 WeakPolarHBondContact O-CD 3.21Å |
| 89 | I | 98.3 | Very high | 97.4 | Very high | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | P | Polyproline II helix | trans | -54.3 | 126.7 | 174.5 | -176.6 | 171.3 | 0 | 0 | 0 | 109.1 | N79 I82 Q93 L94 Y97 Y130 | N79-I89 HydrophobicContact CB-CG2 3.84Å; N79-I89 WeakPolarHBondContact CB-O 3.33Å; N79-I89 PolarHBondContact ND2-O 2.89Å; I82-I89 HydrophobicContact CB-CB 4.35Å; I82-I89 HydrophobicContact CB-CG2 3.99Å; I82-I89 HydrophobicContact CG2-CB 4.37Å; I82-I89 HydrophobicContact CG2-CG2 4.49Å; I82-I89 PolarHBondContact O-N 2.88Å; I89-Q93 HydrophobicContact CD1-CB 4.11Å; I89-Q93 HydrophobicContact CG1-CB 3.79Å; I89-L94 HydrophobicContact CD1-CB 4.3Å; I89-L94 HydrophobicContact CG1-CB 4.46Å; I89-L94 HydrophobicContact CG2-CB 4.34Å; I89-Y97 HydrophobicContact CD1-CD2 3.96Å; I89-Y97 HydrophobicContact CD1-CE2 4.23Å; I89-Y130 HydrophobicContact CB-CD1 4.36Å; I89-Y130 HydrophobicContact CB-CE1 3.91Å; I89-Y130 HydrophobicContact CD1-CD1 3.85Å; I89-Y130 HydrophobicContact CD1-CD2 4.12Å; I89-Y130 HydrophobicContact CD1-CE1 4.06Å; I89-Y130 HydrophobicContact CD1-CE2 4.34Å; I89-Y130 HydrophobicContact CD1-CG 3.87Å; I89-Y130 HydrophobicContact CG1-CD1 4.17Å; I89-Y130 HydrophobicContact CG1-CE1 3.84Å; I89-Y130 HydrophobicContact CG1-CE2 4.3Å |
| 90 | P | 97.5 | Very high | 97.5 | Very high | 58 Ų | 58 | 45.6 Ų | 45.6 | 38% | 0.377 | 24% | 0.241 | S | C | . | . | P | Polyproline II helix | trans | -62.1 | 145.6 | 179.5 | -27.9 | 37.2 | 0 | 0 | 0 | 112.4 | P88 N92 Q93 L94 | P88-P90 WeakPolarHBondContact O-CD 3.21Å; P90-N92 VanDerWaalsContact C-N 3.25Å; P90-N92 WeakPolarHBondContact CB-OD1 3.36Å; P90-N92 PolarHBondContact O-N 2.94Å; P90-N92 VanDerWaalsContact O-N 3.16Å; P90-Q93 HydrophobicContact CB-CB 4.5Å; P90-Q93 HydrophobicContact CB-CG 4.4Å; P90-Q93 WeakPolarHBondContact O-CA 2.95Å; P90-Q93 WeakPolarHBondContact O-CB 3.45Å; P90-Q93 PolarHBondContact O-N 3Å; P90-L94 PolarHBondContact O-N 3.31Å |
| 91 | D | 97.6 | Very high | 97.8 | Very high | 80 Ų | 80 | 44.3 Ų | 44.3 | 43% | 0.428 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -50.6 | -44 | -179.3 | -76.1 | -5.6 | 0 | 0 | 0 | 113.3 | I2 N79 Q93 L94 I95 | I2-D91 HydrophobicContact CB-CB 4.17Å; I2-D91 HydrophobicContact CD1-CB 4.03Å; I2-D91 HydrophobicContact CG1-CB 4.06Å; N79-D91 PolarHBondContact ND2-OD1 2.89Å; D91-Q93 VanDerWaalsContact C-N 3.31Å; D91-Q93 PolarHBondContact O-N 3.02Å; D91-L94 PolarHBondContact O-N 2.94Å; D91-I95 WeakPolarHBondContact O-CB 3.22Å; D91-I95 WeakPolarHBondContact O-CD1 3.43Å; D91-I95 WeakPolarHBondContact O-CG1 3.09Å; D91-I95 PolarHBondContact O-N 2.89Å |
| 92 | N | 97.9 | Very high | 97.9 | Very high | 101 Ų | 101 | 47.2 Ų | 47.2 | 54% | 0.54 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.7 | -36.3 | 179.1 | 64.1 | -47.5 | 0 | 0 | 0 | 112.3 | P90 V96 | P90-N92 VanDerWaalsContact C-N 3.25Å; P90-N92 WeakPolarHBondContact CB-OD1 3.36Å; P90-N92 PolarHBondContact O-N 2.94Å; P90-N92 VanDerWaalsContact O-N 3.16Å; N92-V96 VanDerWaalsContact O-CG2 3.28Å; N92-V96 WeakPolarHBondContact O-CG2 3.43Å; N92-V96 PolarHBondContact O-N 2.82Å; N92-V96 VanDerWaalsContact O-N 3.17Å |
| 93 | Q | 98 | Very high | 97.9 | Very high | 57 Ų | 57 | 51.1 Ų | 51.1 | 27% | 0.266 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -70.5 | -45.3 | 175.5 | -72.9 | -69.2 | -15 | 0 | 0 | 110.7 | I89 P90 D91 I95 V96 Y97 | I89-Q93 HydrophobicContact CD1-CB 4.11Å; I89-Q93 HydrophobicContact CG1-CB 3.79Å; P90-Q93 HydrophobicContact CB-CB 4.5Å; P90-Q93 HydrophobicContact CB-CG 4.4Å; P90-Q93 WeakPolarHBondContact O-CA 2.95Å; P90-Q93 WeakPolarHBondContact O-CB 3.45Å; P90-Q93 PolarHBondContact O-N 3Å; D91-Q93 VanDerWaalsContact C-N 3.31Å; D91-Q93 PolarHBondContact O-N 3.02Å; Q93-I95 VanDerWaalsContact C-N 3.3Å; Q93-I95 PolarHBondContact O-N 3.04Å; Q93-V96 WeakPolarHBondContact O-CB 3.33Å; Q93-V96 PolarHBondContact O-N 3.14Å; Q93-V96 VanDerWaalsContact O-N 3.13Å; Q93-Y97 WeakPolarHBondContact O-CD2 3.42Å; Q93-Y97 PolarHBondContact O-N 3Å |
| 94 | L | 98.4 | Very high | 97.9 | Very high | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.1 | -40.9 | 177.5 | -178.2 | 57 | 0 | 0 | 0 | 111.7 | I2 I9 F78 N79 I89 P90 D91 Y97 V98 I126 | I2-L94 HydrophobicContact CD1-CB 4.3Å; I2-L94 HydrophobicContact CD1-CD2 3.97Å; I2-L94 HydrophobicContact CD1-CG 4.3Å; I9-L94 HydrophobicContact CD1-CD1 4.47Å; F78-L94 HydrophobicContact CD1-CD2 3.65Å; F78-L94 HydrophobicContact CE1-CD2 3.75Å; N79-L94 WeakPolarHBondContact OD1-CD2 3.41Å; I89-L94 HydrophobicContact CD1-CB 4.3Å; I89-L94 HydrophobicContact CG1-CB 4.46Å; I89-L94 HydrophobicContact CG2-CB 4.34Å; P90-L94 PolarHBondContact O-N 3.31Å; D91-L94 PolarHBondContact O-N 2.94Å; L94-Y97 PolarHBondContact O-N 3.45Å; L94-V98 HydrophobicContact CD1-CG2 4.32Å; L94-V98 WeakPolarHBondContact O-CG2 3.43Å; L94-V98 PolarHBondContact O-N 2.86Å; L94-I126 HydrophobicContact CD1-CD1 4.42Å; L94-I126 HydrophobicContact CD1-CG2 4.23Å |
| 95 | I | 98.3 | Very high | 97.8 | Very high | 25 Ų | 25 | 51.2 Ų | 51.2 | 13% | 0.128 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.4 | -48.8 | 173.9 | -69.1 | 161 | 0 | 0 | 0 | 110.8 | M1 I2 A5 D91 Q93 Y97 V98 E99 | M1-I95 HydrophobicContact CB-CD1 3.9Å; I2-I95 HydrophobicContact CB-CD1 4.22Å; I2-I95 HydrophobicContact CD1-CG1 4.13Å; A5-I95 HydrophobicContact CB-CG1 4.11Å; D91-I95 WeakPolarHBondContact O-CB 3.22Å; D91-I95 WeakPolarHBondContact O-CD1 3.43Å; D91-I95 WeakPolarHBondContact O-CG1 3.09Å; D91-I95 PolarHBondContact O-N 2.89Å; Q93-I95 VanDerWaalsContact C-N 3.3Å; Q93-I95 PolarHBondContact O-N 3.04Å; I95-Y97 VanDerWaalsContact C-N 3.31Å; I95-Y97 PolarHBondContact O-N 2.93Å; I95-V98 PolarHBondContact O-N 2.98Å; I95-V98 VanDerWaalsContact O-N 3.11Å; I95-E99 HydrophobicContact CG2-CG 4.3Å; I95-E99 WeakPolarHBondContact O-CG 3.47Å; I95-E99 PolarHBondContact O-N 3.03Å |
| 96 | V | 98.2 | Very high | 97.8 | Very high | 79 Ų | 79 | 50.8 Ų | 50.8 | 48% | 0.479 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -57.6 | -43.4 | 178.9 | 166.9 | 0 | 0 | 0 | 0 | 111.5 | N92 Q93 K100 | N92-V96 VanDerWaalsContact O-CG2 3.28Å; N92-V96 WeakPolarHBondContact O-CG2 3.43Å; N92-V96 PolarHBondContact O-N 2.82Å; N92-V96 VanDerWaalsContact O-N 3.17Å; Q93-V96 WeakPolarHBondContact O-CB 3.33Å; Q93-V96 PolarHBondContact O-N 3.14Å; Q93-V96 VanDerWaalsContact O-N 3.13Å; V96-K100 WeakPolarHBondContact O-CB 3.36Å; V96-K100 PolarHBondContact O-N 2.88Å |
| 97 | Y | 98.5 | Very high | 97.9 | Very high | 11 Ų | 11 | 53.1 Ų | 53.1 | 4% | 0.043 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.6 | -43.5 | 175.3 | -74.7 | -70.1 | 0 | 0 | 0 | 111.8 | I89 Q93 L94 I95 E99 K100 Y101 I126 D129 Y130 T133 | I89-Y97 HydrophobicContact CD1-CD2 3.96Å; I89-Y97 HydrophobicContact CD1-CE2 4.23Å; Q93-Y97 WeakPolarHBondContact O-CD2 3.42Å; Q93-Y97 PolarHBondContact O-N 3Å; L94-Y97 PolarHBondContact O-N 3.45Å; I95-Y97 VanDerWaalsContact C-N 3.31Å; I95-Y97 PolarHBondContact O-N 2.93Å; Y97-E99 VanDerWaalsContact C-N 3.33Å; Y97-E99 PolarHBondContact O-N 3.02Å; Y97-K100 WeakPolarHBondContact O-CB 3.47Å; Y97-K100 PolarHBondContact O-N 2.74Å; Y97-K100 VanDerWaalsContact O-N 3.13Å; Y97-Y101 HydrophobicContact CD1-CE2 4.27Å; Y97-Y101 VanDerWaalsContact O-CD2 3.24Å; Y97-Y101 WeakPolarHBondContact O-CD2 3.33Å; Y97-Y101 PolarHBondContact O-N 2.81Å; Y97-I126 HydrophobicContact CD2-CG2 4.25Å; Y97-I126 HydrophobicContact CG-CG2 3.92Å; Y97-D129 HydrophobicContact CD1-CB 4.35Å; Y97-D129 HydrophobicContact CE1-CB 3.99Å; Y97-D129 WeakPolarHBondContact CE1-OD2 3.43Å; Y97-Y130 AromaticContact CE2-CD2 3.57Å; Y97-Y130 HydrophobicContact CE2-CD2 3.57Å; Y97-Y130 HydrophobicContact CE2-CE2 4.5Å; Y97-Y130 HydrophobicContact CE2-CG 4.03Å; Y97-Y130 AromaticContact CZ-CD2 3.96Å; Y97-Y130 WeakPolarHBondContact OH-CA 3.44Å; Y97-T133 PolarHBondContact OH-OG1 2.89Å |
| 98 | V | 98.3 | Very high | 97.9 | Very high | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.012 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.1 | -44.7 | 176.9 | 167 | 0 | 0 | 0 | 0 | 111.6 | A5 W8 I9 L94 I95 K100 Y101 Q102 I126 | A5-V98 HydrophobicContact CB-CB 4.02Å; A5-V98 HydrophobicContact CB-CG1 3.92Å; A5-V98 HydrophobicContact CB-CG2 4.05Å; W8-V98 HydrophobicContact CD2-CG1 4.2Å; W8-V98 HydrophobicContact CE3-CB 4.44Å; W8-V98 HydrophobicContact CE3-CG1 3.5Å; W8-V98 VanDerWaalsContact CE3-CG1 3.5Å; W8-V98 HydrophobicContact CE3-CG2 4.33Å; W8-V98 HydrophobicContact CZ3-CG1 3.97Å; W8-V98 HydrophobicContact CZ3-CG2 4.41Å; I9-V98 HydrophobicContact CD1-CG2 3.63Å; I9-V98 HydrophobicContact CG1-CG2 4Å; L94-V98 HydrophobicContact CD1-CG2 4.32Å; L94-V98 WeakPolarHBondContact O-CG2 3.43Å; L94-V98 PolarHBondContact O-N 2.86Å; I95-V98 PolarHBondContact O-N 2.98Å; I95-V98 VanDerWaalsContact O-N 3.11Å; V98-K100 VanDerWaalsContact C-N 3.3Å; V98-K100 PolarHBondContact O-N 2.77Å; V98-Y101 PolarHBondContact O-N 2.89Å; V98-Q102 HydrophobicContact CG1-CG 4.1Å; V98-Q102 WeakPolarHBondContact O-CB 3.48Å; V98-Q102 VanDerWaalsContact O-CG 3.28Å; V98-Q102 WeakPolarHBondContact O-CG 3.47Å; V98-Q102 PolarHBondContact O-N 3.49Å; V98-I126 HydrophobicContact CG2-CD1 4.21Å |
| 99 | E | 98.1 | Very high | 97.8 | Very high | 120 Ų | 120 | 48 Ų | 48 | 56% | 0.561 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -62.5 | -35.7 | 176.1 | -71.2 | 178.2 | 166.2 | 0 | 0 | 112.4 | I95 Y97 P103 | I95-E99 HydrophobicContact CG2-CG 4.3Å; I95-E99 WeakPolarHBondContact O-CG 3.47Å; I95-E99 PolarHBondContact O-N 3.03Å; Y97-E99 VanDerWaalsContact C-N 3.33Å; Y97-E99 PolarHBondContact O-N 3.02Å; E99-P103 WeakPolarHBondContact O-CD 3.16Å |
| 100 | K | 98.4 | Very high | 97.7 | Very high | 85 Ų | 85 | 57.6 Ų | 57.6 | 37% | 0.37 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -65.8 | -46 | 172.9 | 179.6 | -176.6 | 178.5 | -177 | 0 | 111.9 | V96 Y97 V98 I104 D129 | V96-K100 WeakPolarHBondContact O-CB 3.36Å; V96-K100 PolarHBondContact O-N 2.88Å; Y97-K100 WeakPolarHBondContact O-CB 3.47Å; Y97-K100 PolarHBondContact O-N 2.74Å; Y97-K100 VanDerWaalsContact O-N 3.13Å; V98-K100 VanDerWaalsContact C-N 3.3Å; V98-K100 PolarHBondContact O-N 2.77Å; K100-I104 WeakPolarHBondContact O-CD1 3.3Å; K100-I104 WeakPolarHBondContact O-CG1 3.44Å; K100-D129 WeakPolarHBondContact CE-OD2 3.49Å; K100-D129 VanDerWaalsContact NZ-CG 3.28Å; K100-D129 IonicContact NZ-OD1 2.77Å; K100-D129 PolarHBondContact NZ-OD1 3.45Å; K100-D129 VanDerWaalsContact NZ-OD1 3.11Å; K100-D129 IonicContact NZ-OD2 3.47Å; K100-D129 PolarHBondContact NZ-OD2 3.49Å |
| 101 | Y | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -81.3 | -28.2 | -173.1 | -84.2 | -86.8 | 0 | 0 | 0 | 113.7 | L27 V31 Y97 V98 I104 V105 A125 I126 D129 | L27-Y101 HydrophobicContact CD1-CD1 3.86Å; L27-Y101 HydrophobicContact CD1-CE1 4.05Å; L27-Y101 HydrophobicContact CD2-CD1 4.15Å; L27-Y101 HydrophobicContact CD2-CE1 4.1Å; L27-Y101 HydrophobicContact CG-CD1 4.14Å; L27-Y101 HydrophobicContact CG-CE1 3.91Å; V31-Y101 HydrophobicContact CG1-CE1 4.09Å; V31-Y101 HydrophobicContact CG2-CE1 4.45Å; Y97-Y101 HydrophobicContact CD1-CE2 4.27Å; Y97-Y101 VanDerWaalsContact O-CD2 3.24Å; Y97-Y101 WeakPolarHBondContact O-CD2 3.33Å; Y97-Y101 PolarHBondContact O-N 2.81Å; V98-Y101 PolarHBondContact O-N 2.89Å; Y101-I104 PolarHBondContact O-N 3.08Å; Y101-V105 WeakPolarHBondContact O-CG2 3.03Å; Y101-V105 PolarHBondContact O-N 2.65Å; Y101-A125 HydrophobicContact CD1-CB 4.45Å; Y101-A125 HydrophobicContact CE1-CB 3.53Å; Y101-A125 VanDerWaalsContact OH-C 3.3Å; Y101-A125 PolarHBondContact OH-O 3.39Å; Y101-A125 VanDerWaalsContact OH-O 3.05Å; Y101-I126 HydrophobicContact CD2-CD1 4.38Å; Y101-I126 HydrophobicContact CD2-CG1 3.6Å; Y101-I126 HydrophobicContact CE2-CG1 3.74Å; Y101-I126 HydrophobicContact CG-CG1 4.19Å; Y101-D129 HydrophobicContact CE2-CB 4.36Å; Y101-D129 WeakPolarHBondContact CE2-OD2 3.21Å; Y101-D129 WeakPolarHBondContact OH-CB 3.4Å; Y101-D129 PolarHBondContact OH-OD2 3.25Å |
| 102 | Q | 97.8 | Very high | 97.1 | Very high | 72 Ų | 72 | 60 Ų | 60 | 34% | 0.336 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -49 | -57.4 | 178.1 | -92 | 179.5 | -7.8 | 0 | 0 | 114.5 | W8 V98 I104 A106 | W8-Q102 HydrophobicContact CD2-CG 3.55Å; W8-Q102 HydrophobicContact CE3-CG 3.97Å; W8-Q102 HydrophobicContact CG-CG 4.01Å; W8-Q102 VanDerWaalsContact CG-NE2 3.27Å; W8-Q102 HydrophobicContact CH2-CG 3.98Å; W8-Q102 HydrophobicContact CZ2-CB 4.22Å; W8-Q102 HydrophobicContact CZ2-CG 3.58Å; W8-Q102 HydrophobicContact CZ3-CG 4.16Å; V98-Q102 HydrophobicContact CG1-CG 4.1Å; V98-Q102 WeakPolarHBondContact O-CB 3.48Å; V98-Q102 VanDerWaalsContact O-CG 3.28Å; V98-Q102 WeakPolarHBondContact O-CG 3.47Å; V98-Q102 PolarHBondContact O-N 3.49Å; Q102-I104 VanDerWaalsContact C-N 3.32Å; Q102-I104 PolarHBondContact O-N 3.37Å; Q102-A106 WeakPolarHBondContact O-CB 3.48Å; Q102-A106 PolarHBondContact O-N 2.67Å |
| 103 | P | 98 | Very high | 96.7 | Very high | 84 Ų | 84 | 59.2 Ų | 59.2 | 55% | 0.545 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -67.5 | -32 | 180 | 25.7 | -34.1 | 0 | 0 | 0 | 112.7 | E99 A106 E107 | E99-P103 WeakPolarHBondContact O-CD 3.16Å; P103-A106 PolarHBondContact O-N 2.96Å; P103-E107 PolarHBondContact O-N 2.85Å |
| 104 | I | 98.2 | Very high | 96.4 | Very high | 24 Ų | 24 | 57.7 Ų | 57.7 | 12% | 0.123 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.7 | -48.2 | 178.2 | -60.5 | 174.8 | 0 | 0 | 0 | 110.3 | L27 K30 V31 K100 Y101 Q102 A106 E107 L108 | L27-I104 HydrophobicContact CD1-CG2 3.75Å; K30-I104 HydrophobicContact CB-CG2 3.48Å; K30-I104 VanDerWaalsContact CB-CG2 3.48Å; K30-I104 HydrophobicContact CG-CG2 3.78Å; V31-I104 HydrophobicContact CG1-CD1 3.63Å; K100-I104 WeakPolarHBondContact O-CD1 3.3Å; K100-I104 WeakPolarHBondContact O-CG1 3.44Å; Y101-I104 PolarHBondContact O-N 3.08Å; Q102-I104 VanDerWaalsContact C-N 3.32Å; Q102-I104 PolarHBondContact O-N 3.37Å; I104-A106 VanDerWaalsContact C-N 3.32Å; I104-A106 PolarHBondContact O-N 2.9Å; I104-E107 WeakPolarHBondContact O-CB 3.35Å; I104-E107 PolarHBondContact O-N 3.3Å; I104-L108 HydrophobicContact CG2-CD1 4.13Å; I104-L108 WeakPolarHBondContact O-CG 3.5Å; I104-L108 PolarHBondContact O-N 3.35Å |
| 105 | V | 97.7 | Very high | 96.1 | Very high | 2 Ų | 2 | 59.4 Ų | 59.4 | 1% | 0.012 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.7 | -41.7 | 176.3 | 172 | 0 | 0 | 0 | 0 | 110.5 | W8 L27 Y101 E107 L108 D109 I117 I122 | W8-V105 HydrophobicContact CH2-CB 4.45Å; W8-V105 HydrophobicContact CH2-CG2 4.15Å; W8-V105 HydrophobicContact CZ2-CB 4.14Å; W8-V105 HydrophobicContact CZ2-CG1 4.32Å; W8-V105 HydrophobicContact CZ2-CG2 4.34Å; L27-V105 HydrophobicContact CD1-CG2 4.03Å; Y101-V105 WeakPolarHBondContact O-CG2 3.03Å; Y101-V105 PolarHBondContact O-N 2.65Å; V105-E107 VanDerWaalsContact C-N 3.28Å; V105-E107 PolarHBondContact O-N 2.97Å; V105-L108 PolarHBondContact O-N 3.19Å; V105-D109 WeakPolarHBondContact O-CB 3.38Å; V105-D109 PolarHBondContact O-N 3.39Å; V105-I117 HydrophobicContact CG1-CB 4.44Å; V105-I117 HydrophobicContact CG1-CD1 4.43Å; V105-I117 HydrophobicContact CG2-CD1 4.26Å; V105-I122 HydrophobicContact CG2-CD1 4.23Å; V105-I122 HydrophobicContact CG2-CG1 4.12Å |
| 106 | A | 96.9 | Very high | 95.8 | Very high | 49 Ų | 49 | 58.3 Ų | 58.3 | 41% | 0.405 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64.8 | -30.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q102 P103 I104 | Q102-A106 WeakPolarHBondContact O-CB 3.48Å; Q102-A106 PolarHBondContact O-N 2.67Å; P103-A106 PolarHBondContact O-N 2.96Å; I104-A106 VanDerWaalsContact C-N 3.32Å; I104-A106 PolarHBondContact O-N 2.9Å |
| 107 | E | 97.2 | Very high | 95.7 | Very high | 91 Ų | 91 | 54.6 Ų | 54.6 | 43% | 0.425 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -69.3 | -52.1 | 171.2 | -170.9 | -162.1 | 162.3 | 0 | 0 | 110.8 | K30 P103 I104 V105 D109 R110 | K30-E107 IonicContact NZ-OE1 2.64Å; K30-E107 PolarHBondContact NZ-OE1 2.94Å; K30-E107 IonicContact NZ-OE2 3.33Å; K30-E107 PolarHBondContact NZ-OE2 3.47Å; P103-E107 PolarHBondContact O-N 2.85Å; I104-E107 WeakPolarHBondContact O-CB 3.35Å; I104-E107 PolarHBondContact O-N 3.3Å; V105-E107 VanDerWaalsContact C-N 3.28Å; V105-E107 PolarHBondContact O-N 2.97Å; E107-D109 VanDerWaalsContact C-N 3.29Å; E107-D109 PolarHBondContact O-N 3.38Å; E107-R110 VanDerWaalsContact O-CB 3.31Å; E107-R110 WeakPolarHBondContact O-CB 3.25Å; E107-R110 PolarHBondContact O-N 3.2Å; E107-R110 VanDerWaalsContact O-N 3.08Å |
| 108 | L | 96.7 | Very high | 95.6 | Very high | 17 Ų | 17 | 54.5 Ų | 54.5 | 9% | 0.089 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.1 | -32.2 | -178.2 | -69.4 | 174.4 | 0 | 0 | 0 | 112.7 | A26 L27 K30 I104 V105 R110 D111 I114 I117 | A26-L108 HydrophobicContact CB-CD2 4.38Å; L27-L108 HydrophobicContact CB-CD1 4.25Å; L27-L108 HydrophobicContact CD1-CD1 3.83Å; K30-L108 HydrophobicContact CG-CD1 4.26Å; K30-L108 HydrophobicContact CG-CD2 4.33Å; K30-L108 HydrophobicContact CG-CG 4.5Å; I104-L108 HydrophobicContact CG2-CD1 4.13Å; I104-L108 WeakPolarHBondContact O-CG 3.5Å; I104-L108 PolarHBondContact O-N 3.35Å; V105-L108 PolarHBondContact O-N 3.19Å; L108-R110 PolarHBondContact O-N 3.47Å; L108-R110 VanDerWaalsContact O-N 3.16Å; L108-D111 PolarHBondContact O-N 3.44Å; L108-D111 VanDerWaalsContact O-N 3.08Å; L108-I114 HydrophobicContact CB-CG2 4.21Å; L108-I114 HydrophobicContact CD2-CG2 4.35Å; L108-I117 HydrophobicContact CB-CD1 3.92Å; L108-I117 HydrophobicContact CD1-CD1 3.66Å; L108-I117 HydrophobicContact CG-CD1 4.46Å |
| 109 | D | 95.2 | Very high | 95.4 | Very high | 48 Ų | 48 | 55.4 Ų | 55.4 | 26% | 0.257 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -14.8 | 175 | -83.4 | -22.9 | 0 | 0 | 0 | 113.7 | R12 V105 E107 D111 S115 G116 | R12-D109 IonicContact CZ-OD1 3.71Å; R12-D109 IonicContact CZ-OD2 3.36Å; R12-D109 VanDerWaalsContact CZ-OD2 3.23Å; R12-D109 IonicContact NH1-OD2 3.47Å; R12-D109 PolarHBondContact NH1-OD2 2.9Å; R12-D109 IonicContact NH2-OD1 2.75Å; R12-D109 PolarHBondContact NH2-OD1 2.94Å; R12-D109 IonicContact NH2-OD2 3.01Å; R12-D109 PolarHBondContact NH2-OD2 2.89Å; V105-D109 WeakPolarHBondContact O-CB 3.38Å; V105-D109 PolarHBondContact O-N 3.39Å; E107-D109 VanDerWaalsContact C-N 3.29Å; E107-D109 PolarHBondContact O-N 3.38Å; D109-D111 VanDerWaalsContact C-N 3.32Å; D109-S115 WeakPolarHBondContact O-CB 3.19Å; D109-G116 PolarHBondContact OD1-N 2.85Å |
| 110 | R | 95.6 | Very high | 95.2 | Very high | 203 Ų | 203 | 51.8 Ų | 51.8 | 77% | 0.766 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -19.9 | 174 | -60.4 | 175 | -171.1 | 160.9 | 2.6 | 112.8 | E107 L108 P112 | E107-R110 VanDerWaalsContact O-CB 3.31Å; E107-R110 WeakPolarHBondContact O-CB 3.25Å; E107-R110 PolarHBondContact O-N 3.2Å; E107-R110 VanDerWaalsContact O-N 3.08Å; L108-R110 PolarHBondContact O-N 3.47Å; L108-R110 VanDerWaalsContact O-N 3.16Å; R110-P112 WeakPolarHBondContact O-CD 3.43Å |
| 111 | D | 94.2 | Very high | 95.2 | Very high | 77 Ų | 77 | 47.7 Ų | 47.7 | 41% | 0.412 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -87.3 | 112.6 | 173.9 | -175.3 | -14 | 0 | 0 | 0 | 109.4 | L108 D109 A113 I114 S115 | L108-D111 PolarHBondContact O-N 3.44Å; L108-D111 VanDerWaalsContact O-N 3.08Å; D109-D111 VanDerWaalsContact C-N 3.32Å; D111-A113 PolarHBondContact O-N 3.02Å; D111-A113 VanDerWaalsContact O-N 3.07Å; D111-A113 WeakPolarHBondContact OD1-CB 3.3Å; D111-A113 PolarHBondContact OD1-N 3.1Å; D111-I114 HydrophobicContact CB-CB 4.43Å; D111-I114 PolarHBondContact O-N 3.15Å; D111-S115 VanDerWaalsContact O-CB 3.3Å; D111-S115 WeakPolarHBondContact O-CB 3.15Å; D111-S115 PolarHBondContact O-N 2.91Å |
| 112 | P | 89.6 | Confident | 95.1 | Very high | 113 Ų | 113 | 47.7 Ų | 47.7 | 73% | 0.734 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -26.9 | 178.9 | -24.5 | 35.2 | 0 | 0 | 0 | 114 | R110 S115 | R110-P112 WeakPolarHBondContact O-CD 3.43Å; P112-S115 PolarHBondContact O-OG 3.36Å |
| 113 | A | 89.9 | Confident | 95.1 | Very high | 83 Ų | 83 | 44.5 Ų | 44.5 | 69% | 0.686 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -27.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | D111 | D111-A113 PolarHBondContact O-N 3.02Å; D111-A113 VanDerWaalsContact O-N 3.07Å; D111-A113 WeakPolarHBondContact OD1-CB 3.3Å; D111-A113 PolarHBondContact OD1-N 3.1Å |
| 114 | I | 90.8 | Very high | 95.1 | Very high | 25 Ų | 25 | 40.5 Ų | 40.5 | 13% | 0.128 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | -16.2 | -174.9 | -57.7 | -60.1 | 0 | 0 | 0 | 112.4 | E22 R23 A26 L108 D111 | E22-I114 HydrophobicContact CB-CD1 4.29Å; R23-I114 WeakPolarHBondContact CD-O 3.35Å; R23-I114 HydrophobicContact CG-CG2 4.36Å; R23-I114 VanDerWaalsContact CG-O 3.32Å; R23-I114 WeakPolarHBondContact CG-O 3.37Å; A26-I114 HydrophobicContact CB-CD1 4.19Å; A26-I114 HydrophobicContact CB-CG1 4.37Å; A26-I114 HydrophobicContact CB-CG2 3.8Å; L108-I114 HydrophobicContact CB-CG2 4.21Å; L108-I114 HydrophobicContact CD2-CG2 4.35Å; D111-I114 HydrophobicContact CB-CB 4.43Å; D111-I114 PolarHBondContact O-N 3.15Å |
| 115 | S | 92.4 | Very high | 95.1 | Very high | 37 Ų | 37 | 39.3 Ų | 39.3 | 26% | 0.259 | 22% | 0.218 | S | C | . | . | trans | -53.4 | 152 | -176 | 67.4 | 0 | 0 | 0 | 0 | 114.8 | R18 D109 D111 P112 | R18-S115 PolarHBondContact NH1-O 3.33Å; D109-S115 WeakPolarHBondContact O-CB 3.19Å; D111-S115 VanDerWaalsContact O-CB 3.3Å; D111-S115 WeakPolarHBondContact O-CB 3.15Å; D111-S115 PolarHBondContact O-N 2.91Å; P112-S115 PolarHBondContact O-OG 3.36Å | ||
| 116 | G | 92.9 | Very high | 95.2 | Very high | 3 Ų | 3 | 39.2 Ų | 39.2 | 3% | 0.031 | 22% | 0.217 | C | C | . | . | trans | 81.5 | 40.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | D109 T118 | D109-G116 PolarHBondContact OD1-N 2.85Å; G116-T118 PolarHBondContact O-N 3.35Å | ||
| 117 | I | 95.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | trans | -54.9 | 127.3 | 169 | -55.4 | 179.8 | 0 | 0 | 0 | 109 | R12 R23 L27 V105 L108 E121 I122 | R12-I117 VanDerWaalsContact CZ-O 3.28Å; R12-I117 PolarHBondContact NE-O 3.44Å; R12-I117 VanDerWaalsContact NH2-N 3.15Å; R12-I117 PolarHBondContact NH2-O 3.48Å; R23-I117 HydrophobicContact CB-CG1 4.39Å; L27-I117 HydrophobicContact CB-CD1 4.42Å; L27-I117 HydrophobicContact CD1-CD1 4.2Å; L27-I117 HydrophobicContact CD2-CG2 4.15Å; V105-I117 HydrophobicContact CG1-CB 4.44Å; V105-I117 HydrophobicContact CG1-CD1 4.43Å; V105-I117 HydrophobicContact CG2-CD1 4.26Å; L108-I117 HydrophobicContact CB-CD1 3.92Å; L108-I117 HydrophobicContact CD1-CD1 3.66Å; L108-I117 HydrophobicContact CG-CD1 4.46Å; I117-E121 HydrophobicContact CG2-CB 3.76Å; I117-I122 HydrophobicContact CG2-CD1 4.37Å; I117-I122 HydrophobicContact CG2-CG1 3.83Å | ||
| 118 | T | 95.2 | Very high | 95.3 | Very high | 9 Ų | 9 | 32.6 Ų | 32.6 | 6% | 0.055 | 18% | 0.178 | C | C | . | . | trans | -82.1 | 165.1 | -173.8 | 63.9 | 0 | 0 | 0 | 0 | 112.4 | F15 G16 R18 G116 F120 E121 I122 | F15-T118 HydrophobicContact CB-CG2 4.18Å; G16-T118 WeakPolarHBondContact O-CG2 3.49Å; R18-T118 HydrophobicContact CB-CG2 4.3Å; R18-T118 HydrophobicContact CG-CG2 4.27Å; G116-T118 PolarHBondContact O-N 3.35Å; T118-F120 VanDerWaalsContact C-N 3.3Å; T118-F120 PolarHBondContact O-N 3.14Å; T118-E121 WeakPolarHBondContact CB-OE2 3.45Å; T118-E121 WeakPolarHBondContact CG2-OE2 3.41Å; T118-E121 PolarHBondContact N-OE2 2.78Å; T118-E121 PolarHBondContact O-N 3.43Å; T118-E121 VanDerWaalsContact OG1-CD 3.3Å; T118-E121 WeakPolarHBondContact OG1-CG 3.47Å; T118-E121 PolarHBondContact OG1-N 2.99Å; T118-E121 PolarHBondContact OG1-OE2 3.36Å; T118-I122 WeakPolarHBondContact O-CG1 3.3Å; T118-I122 PolarHBondContact O-N 3.39Å; T118-I122 VanDerWaalsContact O-N 3.14Å | ||
| 119 | E | 95 | Very high | 95.4 | Very high | 22 Ų | 22 | 32.2 Ų | 32.2 | 10% | 0.103 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -55.6 | -45.8 | 173 | 162.1 | 166.5 | 165.6 | 0 | 0 | 111.5 | I9 H10 R12 K13 R81 E121 I122 L123 | I9-E119 HydrophobicContact CG2-CB 4.11Å; I9-E119 HydrophobicContact CG2-CG 3.54Å; H10-E119 IonicContact CE1-OE1 2.8Å; H10-E119 PolarHBondContact CE1-OE1 3.1Å; H10-E119 IonicContact CE1-OE2 3.9Å; H10-E119 IonicContact CG-OE2 3.05Å; H10-E119 IonicContact ND1-OE1 3.09Å; H10-E119 PolarHBondContact ND1-OE1 2.97Å; H10-E119 IonicContact ND1-OE2 2.83Å; H10-E119 PolarHBondContact ND1-OE2 3.2Å; R12-E119 HydrophobicContact CB-CB 4.32Å; K13-E119 WeakPolarHBondContact CE-OE2 3.43Å; K13-E119 WeakPolarHBondContact CG-OE2 3.37Å; R81-E119 IonicContact NH1-OE1 3.96Å; R81-E119 PolarHBondContact NH1-OE1 3.21Å; E119-E121 VanDerWaalsContact C-N 3.35Å; E119-E121 PolarHBondContact O-N 2.89Å; E119-I122 PolarHBondContact O-N 3.4Å; E119-L123 HydrophobicContact CG-CD1 3.7Å; E119-L123 HydrophobicContact CG-CG 4.38Å; E119-L123 WeakPolarHBondContact O-CG 3.37Å; E119-L123 PolarHBondContact O-N 2.92Å |
| 120 | F | 94.7 | Very high | 95.6 | Very high | 43 Ų | 43 | 30.7 Ų | 30.7 | 19% | 0.189 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -66.3 | -36.8 | -176.6 | -168.5 | -107 | 0 | 0 | 0 | 112.4 | F70 T118 L123 T124 T152 | F70-F120 AromaticContact CE1-CE2 3.82Å; F70-F120 HydrophobicContact CE1-CE2 3.82Å; F70-F120 AromaticContact CE1-CZ 3.84Å; F70-F120 HydrophobicContact CE1-CZ 3.84Å; F70-F120 HydrophobicContact CZ-CE2 4.05Å; F70-F120 HydrophobicContact CZ-CZ 4.46Å; T118-F120 VanDerWaalsContact C-N 3.3Å; T118-F120 PolarHBondContact O-N 3.14Å; F120-L123 PolarHBondContact O-N 2.92Å; F120-T124 WeakPolarHBondContact O-CB 3.39Å; F120-T124 PolarHBondContact O-N 2.98Å; F120-T124 PolarHBondContact O-OG1 3.44Å; F120-T152 HydrophobicContact CE1-CG2 3.97Å; F120-T152 HydrophobicContact CZ-CG2 3.92Å |
| 121 | E | 96.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -64.8 | -43.3 | 174.2 | -70.9 | 168.3 | 137.4 | 0 | 0 | 111.7 | R23 I24 I117 T118 E119 T124 A125 S151 | R23-E121 WeakPolarHBondContact CB-OE1 3.42Å; R23-E121 IonicContact CZ-OE1 2.88Å; R23-E121 VanDerWaalsContact CZ-OE1 3.27Å; R23-E121 IonicContact CZ-OE2 2.72Å; R23-E121 IonicContact NE-OE1 3.62Å; R23-E121 PolarHBondContact NE-OE1 3.17Å; R23-E121 IonicContact NE-OE2 3.59Å; R23-E121 PolarHBondContact NE-OE2 2.86Å; R23-E121 IonicContact NH2-OE1 3.74Å; R23-E121 PolarHBondContact NH2-OE1 3.23Å; R23-E121 IonicContact NH2-OE2 3.7Å; I24-E121 HydrophobicContact CB-CB 4.45Å; I24-E121 HydrophobicContact CB-CG 4.18Å; I24-E121 HydrophobicContact CD1-CB 4.35Å; I24-E121 VanDerWaalsContact CD1-O 3.3Å; I24-E121 WeakPolarHBondContact CD1-O 3.46Å; I117-E121 HydrophobicContact CG2-CB 3.76Å; T118-E121 WeakPolarHBondContact CB-OE2 3.45Å; T118-E121 WeakPolarHBondContact CG2-OE2 3.41Å; T118-E121 PolarHBondContact N-OE2 2.78Å; T118-E121 PolarHBondContact O-N 3.43Å; T118-E121 VanDerWaalsContact OG1-CD 3.3Å; T118-E121 WeakPolarHBondContact OG1-CG 3.47Å; T118-E121 PolarHBondContact OG1-N 2.99Å; T118-E121 PolarHBondContact OG1-OE2 3.36Å; E119-E121 VanDerWaalsContact C-N 3.35Å; E119-E121 PolarHBondContact O-N 2.89Å; E121-T124 PolarHBondContact O-N 2.74Å; E121-A125 PolarHBondContact O-N 3.43Å; E121-S151 WeakPolarHBondContact CG-OG 3.24Å |
| 122 | I | 97.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -62.5 | -47 | 176.5 | -69.4 | 162.6 | 0 | 0 | 0 | 110.5 | W8 R12 L27 V105 I117 T118 E119 T124 A125 I126 | W8-I122 HydrophobicContact CH2-CD1 3.95Å; W8-I122 HydrophobicContact CH2-CG2 4.22Å; W8-I122 HydrophobicContact CZ2-CD1 4.46Å; W8-I122 HydrophobicContact CZ3-CD1 4.37Å; W8-I122 HydrophobicContact CZ3-CG2 3.95Å; R12-I122 HydrophobicContact CB-CD1 4.48Å; R12-I122 HydrophobicContact CG-CD1 3.72Å; L27-I122 HydrophobicContact CD2-CG1 4.5Å; V105-I122 HydrophobicContact CG2-CD1 4.23Å; V105-I122 HydrophobicContact CG2-CG1 4.12Å; I117-I122 HydrophobicContact CG2-CD1 4.37Å; I117-I122 HydrophobicContact CG2-CG1 3.83Å; T118-I122 WeakPolarHBondContact O-CG1 3.3Å; T118-I122 PolarHBondContact O-N 3.39Å; T118-I122 VanDerWaalsContact O-N 3.14Å; E119-I122 PolarHBondContact O-N 3.4Å; I122-T124 VanDerWaalsContact C-N 3.32Å; I122-T124 PolarHBondContact O-N 2.79Å; I122-A125 PolarHBondContact O-N 2.86Å; I122-I126 HydrophobicContact CG2-CD1 3.77Å; I122-I126 HydrophobicContact CG2-CG1 4.33Å; I122-I126 WeakPolarHBondContact O-CG1 3.47Å; I122-I126 PolarHBondContact O-N 3.4Å |
| 123 | L | 97.4 | Very high | 96.3 | Very high | 4 Ų | 4 | 16.7 Ų | 16.7 | 2% | 0.021 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -62.1 | -40 | 178 | -72.7 | 169.4 | 0 | 0 | 0 | 112.3 | I9 F70 F78 I82 E119 F120 A125 I126 M127 | I9-L123 HydrophobicContact CD1-CD2 4.32Å; I9-L123 HydrophobicContact CG2-CG 4.38Å; F70-L123 HydrophobicContact CE2-CB 4.23Å; F70-L123 HydrophobicContact CZ-CB 4.13Å; F78-L123 HydrophobicContact CE1-CD2 3.82Å; F78-L123 HydrophobicContact CZ-CD2 3.86Å; I82-L123 HydrophobicContact CD1-CD2 4.41Å; E119-L123 HydrophobicContact CG-CD1 3.7Å; E119-L123 HydrophobicContact CG-CG 4.38Å; E119-L123 WeakPolarHBondContact O-CG 3.37Å; E119-L123 PolarHBondContact O-N 2.92Å; F120-L123 PolarHBondContact O-N 2.92Å; L123-A125 VanDerWaalsContact C-N 3.35Å; L123-I126 PolarHBondContact O-N 3.11Å; L123-M127 WeakPolarHBondContact O-CB 3.44Å; L123-M127 PolarHBondContact O-N 3.46Å |
| 124 | T | 97.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -60.9 | -45.2 | 175.4 | -59.5 | 0 | 0 | 0 | 0 | 110.8 | I24 F120 E121 I122 M127 L128 T152 | I24-T124 HydrophobicContact CD1-CG2 4.38Å; F120-T124 WeakPolarHBondContact O-CB 3.39Å; F120-T124 PolarHBondContact O-N 2.98Å; F120-T124 PolarHBondContact O-OG1 3.44Å; E121-T124 PolarHBondContact O-N 2.74Å; I122-T124 VanDerWaalsContact C-N 3.32Å; I122-T124 PolarHBondContact O-N 2.79Å; T124-M127 HydrophobicContact CG2-CE 4.37Å; T124-M127 PolarHBondContact O-N 2.94Å; T124-L128 HydrophobicContact CG2-CD1 3.89Å; T124-L128 WeakPolarHBondContact O-CD1 3.47Å; T124-L128 VanDerWaalsContact O-CG 3.25Å; T124-L128 WeakPolarHBondContact O-CG 3.26Å; T124-L128 PolarHBondContact O-N 2.88Å; T124-L128 VanDerWaalsContact O-N 3.07Å; T124-T152 HydrophobicContact CG2-CG2 4.19Å |
| 125 | A | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -66.8 | -44.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | I24 L27 L28 Y101 E121 I122 L123 M127 L128 D129 | I24-A125 HydrophobicContact CD1-CB 3.99Å; L27-A125 HydrophobicContact CD2-CB 3.6Å; L27-A125 HydrophobicContact CG-CB 4.09Å; L28-A125 HydrophobicContact CD2-CB 4.1Å; Y101-A125 HydrophobicContact CD1-CB 4.45Å; Y101-A125 HydrophobicContact CE1-CB 3.53Å; Y101-A125 VanDerWaalsContact OH-C 3.3Å; Y101-A125 PolarHBondContact OH-O 3.39Å; Y101-A125 VanDerWaalsContact OH-O 3.05Å; E121-A125 PolarHBondContact O-N 3.43Å; I122-A125 PolarHBondContact O-N 2.86Å; L123-A125 VanDerWaalsContact C-N 3.35Å; A125-M127 VanDerWaalsContact C-N 3.32Å; A125-M127 PolarHBondContact O-N 3.33Å; A125-L128 PolarHBondContact O-N 2.98Å; A125-D129 VanDerWaalsContact O-CB 3.27Å; A125-D129 WeakPolarHBondContact O-CB 3.47Å; A125-D129 PolarHBondContact O-N 3.36Å |
| 126 | I | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -58.1 | -45.8 | 174.9 | -69.2 | 176.4 | 0 | 0 | 0 | 110.6 | I82 L94 Y97 V98 Y101 I122 L123 L128 D129 Y130 | I82-I126 HydrophobicContact CD1-CB 4.36Å; I82-I126 HydrophobicContact CD1-CG2 3.85Å; L94-I126 HydrophobicContact CD1-CD1 4.42Å; L94-I126 HydrophobicContact CD1-CG2 4.23Å; Y97-I126 HydrophobicContact CD2-CG2 4.25Å; Y97-I126 HydrophobicContact CG-CG2 3.92Å; V98-I126 HydrophobicContact CG2-CD1 4.21Å; Y101-I126 HydrophobicContact CD2-CD1 4.38Å; Y101-I126 HydrophobicContact CD2-CG1 3.6Å; Y101-I126 HydrophobicContact CE2-CG1 3.74Å; Y101-I126 HydrophobicContact CG-CG1 4.19Å; I122-I126 HydrophobicContact CG2-CD1 3.77Å; I122-I126 HydrophobicContact CG2-CG1 4.33Å; I122-I126 WeakPolarHBondContact O-CG1 3.47Å; I122-I126 PolarHBondContact O-N 3.4Å; L123-I126 PolarHBondContact O-N 3.11Å; I126-L128 PolarHBondContact O-N 2.61Å; I126-D129 PolarHBondContact O-N 3.2Å; I126-Y130 VanDerWaalsContact O-CB 3.25Å; I126-Y130 WeakPolarHBondContact O-CB 3.45Å; I126-Y130 PolarHBondContact O-N 3.02Å |
| 127 | M | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -58.3 | -48.6 | 178.2 | 173.4 | -88.2 | -65.3 | 0 | 0 | 112 | F70 I82 L123 T124 A125 Y130 F131 V141 | F70-M127 HydrophobicContact CB-CE 3.93Å; F70-M127 HydrophobicContact CB-CG 3.85Å; F70-M127 HydrophobicContact CB-SD 4.19Å; F70-M127 HydrophobicContact CD1-CE 3.9Å; F70-M127 HydrophobicContact CD2-CB 3.79Å; F70-M127 HydrophobicContact CD2-CE 4.27Å; F70-M127 HydrophobicContact CD2-CG 3.59Å; F70-M127 HydrophobicContact CE1-CE 4.45Å; F70-M127 HydrophobicContact CE2-CB 4.04Å; F70-M127 HydrophobicContact CE2-CG 4.34Å; F70-M127 HydrophobicContact CG-CB 4.42Å; F70-M127 HydrophobicContact CG-CE 3.78Å; F70-M127 HydrophobicContact CG-CG 3.87Å; F70-M127 HydrophobicContact CG-SD 4.45Å; I82-M127 HydrophobicContact CD1-CB 3.93Å; I82-M127 HydrophobicContact CG1-CB 3.99Å; I82-M127 HydrophobicContact CG1-CG 4.46Å; I82-M127 HydrophobicContact CG2-CB 4.19Å; I82-M127 HydrophobicContact CG2-CG 4.21Å; L123-M127 WeakPolarHBondContact O-CB 3.44Å; L123-M127 PolarHBondContact O-N 3.46Å; T124-M127 HydrophobicContact CG2-CE 4.37Å; T124-M127 PolarHBondContact O-N 2.94Å; A125-M127 VanDerWaalsContact C-N 3.32Å; A125-M127 PolarHBondContact O-N 3.33Å; M127-Y130 PolarHBondContact O-N 3.45Å; M127-F131 HydrophobicContact CG-CD2 3.75Å; M127-F131 HydrophobicContact CG-CE2 3.32Å; M127-F131 HydrophobicContact CG-CZ 3.74Å; M127-F131 WeakPolarHBondContact O-CB 3.43Å; M127-F131 VanDerWaalsContact O-CG 3.27Å; M127-F131 WeakPolarHBondContact O-CG 3.27Å; M127-F131 PolarHBondContact O-N 3.26Å; M127-F131 HydrophobicContact SD-CD2 3.36Å; M127-F131 WeakPolarHBondContact SD-CD2 3.43Å; M127-F131 HydrophobicContact SD-CE2 3.36Å; M127-F131 WeakPolarHBondContact SD-CE2 3.43Å; M127-F131 HydrophobicContact SD-CG 4.38Å; M127-F131 HydrophobicContact SD-CZ 4.37Å; M127-V141 HydrophobicContact CE-CG1 4.06Å; M127-V141 HydrophobicContact CE-CG2 3.95Å; M127-V141 HydrophobicContact SD-CG2 4.27Å |
| 128 | L | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -65.8 | -41.3 | -178.7 | -68.7 | 162 | 0 | 0 | 0 | 111.6 | L28 P34 E35 T124 A125 I126 A132 V154 V155 | L28-L128 HydrophobicContact CD1-CD1 4.29Å; L28-L128 HydrophobicContact CD2-CD1 4.05Å; P34-L128 HydrophobicContact CB-CB 4.49Å; P34-L128 HydrophobicContact CG-CB 4.25Å; E35-L128 HydrophobicContact CB-CD1 3.85Å; E35-L128 HydrophobicContact CB-CD2 4.13Å; E35-L128 HydrophobicContact CB-CG 4.43Å; T124-L128 HydrophobicContact CG2-CD1 3.89Å; T124-L128 WeakPolarHBondContact O-CD1 3.47Å; T124-L128 VanDerWaalsContact O-CG 3.25Å; T124-L128 WeakPolarHBondContact O-CG 3.26Å; T124-L128 PolarHBondContact O-N 2.88Å; T124-L128 VanDerWaalsContact O-N 3.07Å; A125-L128 PolarHBondContact O-N 2.98Å; I126-L128 PolarHBondContact O-N 2.61Å; L128-A132 WeakPolarHBondContact O-CB 3.42Å; L128-A132 PolarHBondContact O-N 3.35Å; L128-V154 HydrophobicContact CD1-CG2 4.25Å; L128-V155 HydrophobicContact CD1-CG1 4.5Å; L128-V155 HydrophobicContact CD2-CG1 3.82Å |
| 129 | D | 98.5 | Very high | 97.9 | Very high | 10 Ų | 10 | 25.6 Ų | 25.6 | 5% | 0.053 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -65.2 | -42.2 | 177.1 | -166.2 | 14.1 | 0 | 0 | 0 | 111.7 | P34 Y97 K100 Y101 A125 I126 A132 T133 | P34-D129 HydrophobicContact CB-CB 4.36Å; P34-D129 HydrophobicContact CG-CB 4.18Å; Y97-D129 HydrophobicContact CD1-CB 4.35Å; Y97-D129 HydrophobicContact CE1-CB 3.99Å; Y97-D129 WeakPolarHBondContact CE1-OD2 3.43Å; K100-D129 WeakPolarHBondContact CE-OD2 3.49Å; K100-D129 VanDerWaalsContact NZ-CG 3.28Å; K100-D129 IonicContact NZ-OD1 2.77Å; K100-D129 PolarHBondContact NZ-OD1 3.45Å; K100-D129 VanDerWaalsContact NZ-OD1 3.11Å; K100-D129 IonicContact NZ-OD2 3.47Å; K100-D129 PolarHBondContact NZ-OD2 3.49Å; Y101-D129 HydrophobicContact CE2-CB 4.36Å; Y101-D129 WeakPolarHBondContact CE2-OD2 3.21Å; Y101-D129 WeakPolarHBondContact OH-CB 3.4Å; Y101-D129 PolarHBondContact OH-OD2 3.25Å; A125-D129 VanDerWaalsContact O-CB 3.27Å; A125-D129 WeakPolarHBondContact O-CB 3.47Å; A125-D129 PolarHBondContact O-N 3.36Å; I126-D129 PolarHBondContact O-N 3.2Å; D129-A132 PolarHBondContact O-N 2.91Å; D129-T133 VanDerWaalsContact O-CB 3.3Å; D129-T133 WeakPolarHBondContact O-CB 3.33Å; D129-T133 PolarHBondContact O-N 2.82Å; D129-T133 PolarHBondContact O-OG1 2.99Å |
| 130 | Y | 98.7 | Very high | 98.1 | Very high | 16 Ų | 16 | 24.5 Ų | 24.5 | 6% | 0.063 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.1 | -49.8 | 175.6 | -179.2 | -129.2 | 0 | 0 | 0 | 112.2 | I82 I84 I89 Y97 I126 M127 A132 T133 E134 | I82-Y130 HydrophobicContact CG2-CD1 3.61Å; I82-Y130 HydrophobicContact CG2-CE1 4.25Å; I84-Y130 HydrophobicContact CD1-CD1 4.18Å; I84-Y130 HydrophobicContact CD1-CE1 3.55Å; I84-Y130 HydrophobicContact CD1-CE2 4.31Å; I84-Y130 HydrophobicContact CG1-CD1 4.47Å; I84-Y130 HydrophobicContact CG1-CE1 3.79Å; I89-Y130 HydrophobicContact CB-CD1 4.36Å; I89-Y130 HydrophobicContact CB-CE1 3.91Å; I89-Y130 HydrophobicContact CD1-CD1 3.85Å; I89-Y130 HydrophobicContact CD1-CD2 4.12Å; I89-Y130 HydrophobicContact CD1-CE1 4.06Å; I89-Y130 HydrophobicContact CD1-CE2 4.34Å; I89-Y130 HydrophobicContact CD1-CG 3.87Å; I89-Y130 HydrophobicContact CG1-CD1 4.17Å; I89-Y130 HydrophobicContact CG1-CE1 3.84Å; I89-Y130 HydrophobicContact CG1-CE2 4.3Å; Y97-Y130 AromaticContact CE2-CD2 3.57Å; Y97-Y130 HydrophobicContact CE2-CD2 3.57Å; Y97-Y130 HydrophobicContact CE2-CE2 4.5Å; Y97-Y130 HydrophobicContact CE2-CG 4.03Å; Y97-Y130 AromaticContact CZ-CD2 3.96Å; Y97-Y130 WeakPolarHBondContact OH-CA 3.44Å; I126-Y130 VanDerWaalsContact O-CB 3.25Å; I126-Y130 WeakPolarHBondContact O-CB 3.45Å; I126-Y130 PolarHBondContact O-N 3.02Å; M127-Y130 PolarHBondContact O-N 3.45Å; Y130-A132 VanDerWaalsContact C-N 3.32Å; Y130-A132 PolarHBondContact O-N 3.42Å; Y130-T133 PolarHBondContact O-N 3.1Å; Y130-T133 VanDerWaalsContact O-N 3.17Å; Y130-E134 HydrophobicContact CD2-CG 3.71Å; Y130-E134 HydrophobicContact CE2-CG 3.32Å; Y130-E134 WeakPolarHBondContact O-CG 3.42Å; Y130-E134 PolarHBondContact O-N 3.25Å |
| 131 | F | 98.7 | Very high | 98.3 | Very high | 1 Ų | 1 | 22.5 Ų | 22.5 | 0% | 0.004 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -65.9 | -33.3 | 178.7 | -67.3 | -11.4 | 0 | 0 | 0 | 113 | V38 S69 I82 I84 M127 Q135 V136 A139 | V38-F131 HydrophobicContact CG1-CB 4.12Å; V38-F131 HydrophobicContact CG2-CB 4.06Å; S69-F131 VanDerWaalsContact N-CZ 3.29Å; S69-F131 WeakPolarHBondContact O-CZ 3.39Å; I82-F131 HydrophobicContact CG2-CE1 3.78Å; I82-F131 HydrophobicContact CG2-CZ 3.95Å; I84-F131 HydrophobicContact CD1-CD1 4.18Å; I84-F131 HydrophobicContact CD1-CE1 4.49Å; I84-F131 HydrophobicContact CG1-CD1 3.93Å; I84-F131 HydrophobicContact CG1-CE1 3.8Å; M127-F131 HydrophobicContact CG-CD2 3.75Å; M127-F131 HydrophobicContact CG-CE2 3.32Å; M127-F131 HydrophobicContact CG-CZ 3.74Å; M127-F131 WeakPolarHBondContact O-CB 3.43Å; M127-F131 VanDerWaalsContact O-CG 3.27Å; M127-F131 WeakPolarHBondContact O-CG 3.27Å; M127-F131 PolarHBondContact O-N 3.26Å; M127-F131 HydrophobicContact SD-CD2 3.36Å; M127-F131 WeakPolarHBondContact SD-CD2 3.43Å; M127-F131 HydrophobicContact SD-CE2 3.36Å; M127-F131 WeakPolarHBondContact SD-CE2 3.43Å; M127-F131 HydrophobicContact SD-CG 4.38Å; M127-F131 HydrophobicContact SD-CZ 4.37Å; F131-Q135 PolarHBondContact O-N 2.94Å; F131-V136 HydrophobicContact CB-CG1 4.4Å; F131-V136 HydrophobicContact CB-CG2 3.78Å; F131-V136 HydrophobicContact CD1-CG1 4.26Å; F131-V136 HydrophobicContact CG-CG1 4.47Å; F131-V136 HydrophobicContact CG-CG2 4.19Å; F131-V136 PolarHBondContact O-N 2.93Å; F131-A139 HydrophobicContact CD2-CB 3.52Å; F131-A139 HydrophobicContact CE2-CB 3.91Å; F131-A139 HydrophobicContact CG-CB 4.48Å |
| 132 | A | 98.3 | Very high | 98.4 | Very high | 20 Ų | 20 | 23 Ų | 23 | 17% | 0.165 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -68.8 | -38 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | P34 K37 V38 L128 D129 Y130 | P34-A132 HydrophobicContact CB-CB 3.92Å; K37-A132 HydrophobicContact CB-CB 4.18Å; K37-A132 HydrophobicContact CD-CB 4.48Å; V38-A132 HydrophobicContact CG2-CB 3.8Å; L128-A132 WeakPolarHBondContact O-CB 3.42Å; L128-A132 PolarHBondContact O-N 3.35Å; D129-A132 PolarHBondContact O-N 2.91Å; Y130-A132 VanDerWaalsContact C-N 3.32Å; Y130-A132 PolarHBondContact O-N 3.42Å |
| 133 | T | 98.2 | Very high | 98.4 | Very high | 78 Ų | 78 | 23 Ų | 23 | 48% | 0.479 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -70.7 | -45.2 | 179.6 | -62.3 | 0 | 0 | 0 | 0 | 111.6 | Y97 D129 Y130 Q135 | Y97-T133 PolarHBondContact OH-OG1 2.89Å; D129-T133 VanDerWaalsContact O-CB 3.3Å; D129-T133 WeakPolarHBondContact O-CB 3.33Å; D129-T133 PolarHBondContact O-N 2.82Å; D129-T133 PolarHBondContact O-OG1 2.99Å; Y130-T133 PolarHBondContact O-N 3.1Å; Y130-T133 VanDerWaalsContact O-N 3.17Å; T133-Q135 PolarHBondContact O-N 2.89Å |
| 134 | E | 98.2 | Very high | 98.1 | Very high | 92 Ų | 92 | 24 Ų | 24 | 43% | 0.43 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -4.1 | 177.7 | -61.9 | -60.6 | 140.6 | 0 | 0 | 113.3 | I84 Y130 V136 | I84-E134 HydrophobicContact CD1-CB 3.46Å; I84-E134 VanDerWaalsContact CD1-CB 3.46Å; I84-E134 HydrophobicContact CD1-CG 3.62Å; Y130-E134 HydrophobicContact CD2-CG 3.71Å; Y130-E134 HydrophobicContact CE2-CG 3.32Å; Y130-E134 WeakPolarHBondContact O-CG 3.42Å; Y130-E134 PolarHBondContact O-N 3.25Å; E134-V136 PolarHBondContact O-N 3.11Å |
| 135 | Q | 98.1 | Very high | 97.8 | Very high | 164 Ų | 164 | 25.6 Ų | 25.6 | 77% | 0.766 | 14% | 0.139 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 48.4 | 174.6 | -53.6 | -172.6 | -48.7 | 0 | 0 | 113.9 | F131 T133 | F131-Q135 PolarHBondContact O-N 2.94Å; T133-Q135 PolarHBondContact O-N 2.89Å |
| 136 | V | 98.6 | Very high | 97.5 | Very high | 9 Ų | 9 | 25.7 Ų | 25.7 | 6% | 0.055 | 14% | 0.14 | C | C | . | . | trans | -59.6 | 144.9 | 174.9 | -54.8 | 0 | 0 | 0 | 0 | 111 | V38 T66 I84 F131 E134 V138 A139 | V38-V136 HydrophobicContact CG1-CG2 4.15Å; T66-V136 HydrophobicContact CG2-CB 4.31Å; T66-V136 HydrophobicContact CG2-CG1 4.19Å; I84-V136 HydrophobicContact CD1-CG1 3.79Å; I84-V136 HydrophobicContact CG1-CG1 3.93Å; I84-V136 HydrophobicContact CG2-CG1 4.19Å; F131-V136 HydrophobicContact CB-CG1 4.4Å; F131-V136 HydrophobicContact CB-CG2 3.78Å; F131-V136 HydrophobicContact CD1-CG1 4.26Å; F131-V136 HydrophobicContact CG-CG1 4.47Å; F131-V136 HydrophobicContact CG-CG2 4.19Å; F131-V136 PolarHBondContact O-N 2.93Å; E134-V136 PolarHBondContact O-N 3.11Å; V136-V138 VanDerWaalsContact C-N 3.28Å; V136-V138 PolarHBondContact O-N 3.22Å; V136-A139 HydrophobicContact CG2-CB 4.39Å | ||
| 137 | D | 98.7 | Very high | 97.4 | Very high | 78 Ų | 78 | 25.7 Ų | 25.7 | 42% | 0.417 | 14% | 0.14 | S | C | . | . | S | Bend | trans | -66.2 | -35.6 | 178.3 | -69.7 | -50.2 | 0 | 0 | 0 | 111.7 | P39 V65 T66 | P39-D137 WeakPolarHBondContact CG-O 3.33Å; V65-D137 HydrophobicContact CG1-CB 3.54Å; T66-D137 PolarHBondContact N-OD2 3.45Å; T66-D137 WeakPolarHBondContact O-CB 3.38Å; T66-D137 PolarHBondContact O-N 2.95Å |
| 138 | V | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 143.8 | 178 | 65.6 | 0 | 0 | 0 | 0 | 110.8 | P39 I41 L60 V65 T66 V67 G68 V136 I158 Y275 | P39-V138 CarbonylContact O-C 3.43Å; P39-V138 WeakPolarHBondContact O-CA 3.37Å; I41-V138 HydrophobicContact CD1-CG2 3.93Å; I41-V138 HydrophobicContact CG1-CG2 3.74Å; L60-V138 HydrophobicContact CD1-CG1 3.97Å; V65-V138 HydrophobicContact CG1-CG1 3.87Å; T66-V138 PolarHBondContact O-N 3.12Å; V67-V138 WeakPolarHBondContact CA-O 3.35Å; V67-V138 HydrophobicContact CG2-CG1 4.21Å; G68-V138 PolarHBondContact N-O 3.13Å; V136-V138 VanDerWaalsContact C-N 3.28Å; V136-V138 PolarHBondContact O-N 3.22Å; V138-I158 HydrophobicContact CG2-CD1 4.16Å; V138-Y275 HydrophobicContact CB-CE2 3.94Å; V138-Y275 HydrophobicContact CG1-CE2 4.04Å; V138-Y275 HydrophobicContact CG2-CE2 4.06Å |
| 139 | A | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 129.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | V38 P39 V40 I41 G68 F131 V136 V141 | V38-A139 HydrophobicContact CG1-CB 3.52Å; P39-A139 PolarHBondContact O-N 2.89Å; V40-A139 CarbonylContact C-O 3.47Å; V40-A139 VanDerWaalsContact CA-O 3.3Å; V40-A139 WeakPolarHBondContact CA-O 3.45Å; V40-A139 HydrophobicContact CG2-CB 4.34Å; I41-A139 PolarHBondContact N-O 3.43Å; G68-A139 CarbonylContact O-C 3.58Å; G68-A139 VanDerWaalsContact O-CA 3.27Å; G68-A139 WeakPolarHBondContact O-CA 3.42Å; F131-A139 HydrophobicContact CD2-CB 3.52Å; F131-A139 HydrophobicContact CE2-CB 3.91Å; F131-A139 HydrophobicContact CG-CB 4.48Å; V136-A139 HydrophobicContact CG2-CB 4.39Å; A139-V141 HydrophobicContact CB-CG2 4.22Å |
| 140 | I | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 111.9 | 172.3 | -47.7 | 164.7 | 0 | 0 | 0 | 107.6 | I41 I43 V53 L56 R57 L60 V67 G68 S69 F70 | I41-I140 WeakPolarHBondContact O-CA 3.5Å; I43-I140 HydrophobicContact CD1-CG2 3.49Å; I43-I140 VanDerWaalsContact CD1-CG2 3.49Å; I43-I140 HydrophobicContact CG1-CG2 4.19Å; V53-I140 HydrophobicContact CB-CG2 4.28Å; V53-I140 HydrophobicContact CG1-CB 4.33Å; V53-I140 HydrophobicContact CG1-CG2 4.07Å; V53-I140 HydrophobicContact CG2-CG2 3.91Å; L56-I140 HydrophobicContact CB-CD1 4.01Å; L56-I140 HydrophobicContact CD2-CD1 3.98Å; L56-I140 HydrophobicContact CD2-CG1 4.11Å; L56-I140 HydrophobicContact CD2-CG2 4.1Å; L56-I140 HydrophobicContact CG-CD1 3.7Å; L56-I140 HydrophobicContact CG-CG1 4.33Å; R57-I140 HydrophobicContact CB-CD1 3.8Å; R57-I140 VanDerWaalsContact N-CD1 3.34Å; L60-I140 HydrophobicContact CD1-CD1 4.1Å; L60-I140 HydrophobicContact CD1-CG1 4.43Å; V67-I140 HydrophobicContact CG1-CD1 3.68Å; V67-I140 HydrophobicContact CG1-CG1 3.99Å; G68-I140 PolarHBondContact O-N 3.11Å; S69-I140 WeakPolarHBondContact CA-O 3.11Å; F70-I140 PolarHBondContact N-O 2.7Å |
| 141 | V | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 116 | -171.2 | 179.4 | 0 | 0 | 0 | 0 | 110 | V40 I41 H42 I43 F70 M127 A139 T152 | V40-V141 HydrophobicContact CG1-CB 3.9Å; V40-V141 HydrophobicContact CG1-CG2 3.65Å; V40-V141 HydrophobicContact CG2-CG2 4.31Å; I41-V141 PolarHBondContact O-N 3.14Å; H42-V141 PolarHBondContact CD2-O 3.04Å; I43-V141 PolarHBondContact N-O 3.35Å; F70-V141 HydrophobicContact CB-CG1 4.33Å; F70-V141 HydrophobicContact CB-CG2 4.4Å; F70-V141 HydrophobicContact CD1-CG1 4.05Å; M127-V141 HydrophobicContact CE-CG1 4.06Å; M127-V141 HydrophobicContact CE-CG2 3.95Å; M127-V141 HydrophobicContact SD-CG2 4.27Å; A139-V141 HydrophobicContact CB-CG2 4.22Å; V141-T152 HydrophobicContact CG1-CG2 3.72Å |
| 142 | E | 98.2 | Very high | 96.7 | Very high | 10 Ų | 10 | 32.5 Ų | 32.5 | 5% | 0.047 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 130.9 | 169.6 | 179.1 | 168.2 | -161.1 | 0 | 0 | 110.8 | K49 V53 F70 T71 S72 | K49-E142 HydrophobicContact CB-CG 3.88Å; K49-E142 WeakPolarHBondContact CB-OE1 3.4Å; K49-E142 HydrophobicContact CD-CG 4Å; K49-E142 WeakPolarHBondContact CE-OE1 3.32Å; V53-E142 HydrophobicContact CG2-CB 4.28Å; F70-E142 WeakPolarHBondContact O-CB 3.5Å; F70-E142 PolarHBondContact O-N 3.16Å; T71-E142 VanDerWaalsContact CA-OE2 3.23Å; T71-E142 WeakPolarHBondContact CA-OE2 3.31Å; T71-E142 WeakPolarHBondContact CB-OE2 3.39Å; S72-E142 PolarHBondContact N-OE2 3.06Å; S72-E142 VanDerWaalsContact N-OE2 3.11Å |
| 143 | V | 96.8 | Very high | 96.7 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.006 | 17% | 0.172 | C | C | . | . | trans | -70.7 | 133.3 | 168.1 | 171.2 | 0 | 0 | 0 | 0 | 109.9 | H42 I43 A44 K49 G146 D150 I187 | H42-V143 WeakPolarHBondContact NE2-CG2 3.24Å; I43-V143 PolarHBondContact O-N 3.45Å; A44-V143 HydrophobicContact CB-CB 4.28Å; A44-V143 HydrophobicContact CB-CG2 3.92Å; K49-V143 WeakPolarHBondContact CE-O 3.24Å; V143-G146 WeakPolarHBondContact CG1-O 3.41Å; V143-D150 HydrophobicContact CG1-CB 3.87Å; V143-I187 HydrophobicContact CG2-CG2 3.84Å | ||
| 144 | G | 92.2 | Very high | 96.7 | Very high | 26 Ų | 26 | 29 Ų | 29 | 27% | 0.268 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -71.4 | -59.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | D150 | G144-D150 WeakPolarHBondContact CA-OD2 3.24Å; G144-D150 PolarHBondContact N-OD2 3.03Å; G144-D150 VanDerWaalsContact N-OD2 3.08Å |
| 145 | L | 90.7 | Very high | 96.6 | Very high | 33 Ų | 33 | 24.8 Ų | 24.8 | 17% | 0.173 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -140.4 | 127.1 | -175.1 | 179.5 | 63.7 | 0 | 0 | 0 | 112.5 | G147 D150 H169 V172 L173 | L145-G147 PolarHBondContact O-N 3.26Å; L145-G147 VanDerWaalsContact O-N 3.1Å; L145-D150 PolarHBondContact N-OD2 2.68Å; L145-D150 WeakPolarHBondContact O-CB 3.35Å; L145-H169 HydrophobicContact CD1-CB 3.56Å; L145-H169 WeakPolarHBondContact CD1-CD2 3.39Å; L145-V172 HydrophobicContact CD2-CB 4.32Å; L145-V172 HydrophobicContact CD2-CG1 3.89Å; L145-V172 HydrophobicContact CD2-CG2 4.5Å; L145-L173 HydrophobicContact CD1-CD1 3.98Å; L145-L173 HydrophobicContact CD1-CD2 4.14Å; L145-L173 HydrophobicContact CD1-CG 4.13Å; L145-L173 HydrophobicContact CG-CD2 4.2Å |
| 146 | G | 93.2 | Very high | 96.5 | Very high | 2 Ų | 2 | 25.2 Ų | 25.2 | 2% | 0.021 | 13% | 0.134 | C | C | . | . | S | Bend | trans | 67.2 | -109.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | V143 K184 | V143-G146 WeakPolarHBondContact CG1-O 3.41Å; G146-K184 VanDerWaalsContact O-CG 3.26Å; G146-K184 WeakPolarHBondContact O-CG 3.48Å |
| 147 | G | 96 | Very high | 96.5 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.133 | C | C | . | . | S | Bend | trans | 170.1 | -51.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L145 L149 D150 N153 Q183 | L145-G147 PolarHBondContact O-N 3.26Å; L145-G147 VanDerWaalsContact O-N 3.1Å; G147-L149 PolarHBondContact O-N 3.44Å; G147-D150 PolarHBondContact O-N 3.09Å; G147-N153 WeakPolarHBondContact O-CB 3.43Å; G147-N153 VanDerWaalsContact O-CG 3.22Å; G147-N153 PolarHBondContact O-ND2 3.38Å; G147-N153 VanDerWaalsContact O-ND2 3.14Å; G147-Q183 CarbonylContact C-O 3.37Å; G147-Q183 WeakPolarHBondContact CA-O 3.47Å; G147-Q183 PolarHBondContact N-O 2.87Å |
| 148 | L | 95.9 | Very high | 96.5 | Very high | 73 Ų | 73 | 23.2 Ų | 23.2 | 38% | 0.382 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -48.7 | -176 | -178.8 | 63.3 | 0 | 0 | 0 | 113.5 | N153 Q183 | L148-N153 PolarHBondContact O-ND2 2.88Å; L148-Q183 PolarHBondContact N-O 3Å |
| 149 | L | 95 | Very high | 96.5 | Very high | 79 Ų | 79 | 23.2 Ų | 23.2 | 41% | 0.414 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | 13.5 | -176.8 | -61.8 | -179.5 | 0 | 0 | 0 | 113 | P19 G20 G147 | P19-L149 HydrophobicContact CB-CB 3.91Å; P19-L149 HydrophobicContact CB-CD1 3.89Å; G20-L149 PolarHBondContact N-O 3.46Å; G147-L149 PolarHBondContact O-N 3.44Å |
| 150 | D | 95.7 | Very high | 96.5 | Very high | 9 Ų | 9 | 23.2 Ų | 23.2 | 5% | 0.048 | 12% | 0.123 | C | C | . | . | trans | -71.8 | 140.9 | 176.7 | -172.4 | -94.1 | 0 | 0 | 0 | 110.6 | L21 V143 G144 L145 G147 T152 N153 | L21-D150 WeakPolarHBondContact CD2-O 3.35Å; V143-D150 HydrophobicContact CG1-CB 3.87Å; G144-D150 WeakPolarHBondContact CA-OD2 3.24Å; G144-D150 PolarHBondContact N-OD2 3.03Å; G144-D150 VanDerWaalsContact N-OD2 3.08Å; L145-D150 PolarHBondContact N-OD2 2.68Å; L145-D150 WeakPolarHBondContact O-CB 3.35Å; G147-D150 PolarHBondContact O-N 3.09Å; D150-T152 PolarHBondContact O-N 2.87Å; D150-T152 VanDerWaalsContact OD1-CB 3.25Å; D150-T152 WeakPolarHBondContact OD1-CB 3.27Å; D150-T152 WeakPolarHBondContact OD1-CG2 3.34Å; D150-T152 PolarHBondContact OD1-N 3.41Å; D150-T152 PolarHBondContact OD1-OG1 3.02Å; D150-N153 VanDerWaalsContact O-CB 3.23Å; D150-N153 WeakPolarHBondContact O-CB 3.37Å; D150-N153 PolarHBondContact O-N 3.5Å | ||
| 151 | S | 95.6 | Very high | 96.5 | Very high | 9 Ų | 9 | 23.2 Ų | 23.2 | 6% | 0.063 | 12% | 0.123 | C | C | . | . | G | 310 helix | trans | -57.5 | -26.9 | -177.9 | -50.6 | 0 | 0 | 0 | 0 | 113.3 | E121 N153 V154 | E121-S151 WeakPolarHBondContact CG-OG 3.24Å; S151-N153 VanDerWaalsContact C-N 3.27Å; S151-N153 PolarHBondContact O-N 3.2Å; S151-V154 WeakPolarHBondContact O-CG2 3.33Å |
| 152 | T | 97.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.123 | C | C | . | . | G | 310 helix | trans | -74.2 | -15.5 | 176.8 | 66 | 0 | 0 | 0 | 0 | 113.2 | H42 F70 F120 T124 V141 D150 V154 V155 | H42-T152 WeakPolarHBondContact NE2-CB 3.47Å; H42-T152 PolarHBondContact NE2-OG1 2.83Å; F70-T152 HydrophobicContact CD1-CG2 4.16Å; F70-T152 HydrophobicContact CE1-CG2 3.96Å; F120-T152 HydrophobicContact CE1-CG2 3.97Å; F120-T152 HydrophobicContact CZ-CG2 3.92Å; T124-T152 HydrophobicContact CG2-CG2 4.19Å; V141-T152 HydrophobicContact CG1-CG2 3.72Å; D150-T152 PolarHBondContact O-N 2.87Å; D150-T152 VanDerWaalsContact OD1-CB 3.25Å; D150-T152 WeakPolarHBondContact OD1-CB 3.27Å; D150-T152 WeakPolarHBondContact OD1-CG2 3.34Å; D150-T152 PolarHBondContact OD1-N 3.41Å; D150-T152 PolarHBondContact OD1-OG1 3.02Å; T152-V154 PolarHBondContact O-N 2.8Å; T152-V155 WeakPolarHBondContact O-CG1 3.2Å; T152-V155 VanDerWaalsContact O-CG2 3.25Å; T152-V155 WeakPolarHBondContact O-CG2 3.19Å; T152-V155 PolarHBondContact O-N 3.48Å |
| 153 | N | 97.8 | Very high | 96.5 | Very high | 7 Ų | 7 | 22.8 Ų | 22.8 | 4% | 0.037 | 12% | 0.121 | C | C | . | . | G | 310 helix | trans | -76.2 | 9.2 | -177 | -158.8 | 28.5 | 0 | 0 | 0 | 115 | L21 G147 L148 D150 S151 V155 G186 K189 | L21-N153 HydrophobicContact CD2-CB 4.43Å; G147-N153 WeakPolarHBondContact O-CB 3.43Å; G147-N153 VanDerWaalsContact O-CG 3.22Å; G147-N153 PolarHBondContact O-ND2 3.38Å; G147-N153 VanDerWaalsContact O-ND2 3.14Å; L148-N153 PolarHBondContact O-ND2 2.88Å; D150-N153 VanDerWaalsContact O-CB 3.23Å; D150-N153 WeakPolarHBondContact O-CB 3.37Å; D150-N153 PolarHBondContact O-N 3.5Å; S151-N153 VanDerWaalsContact C-N 3.27Å; S151-N153 PolarHBondContact O-N 3.2Å; N153-V155 VanDerWaalsContact C-N 3.29Å; N153-G186 PolarHBondContact ND2-O 3.22Å; N153-G186 PolarHBondContact OD1-O 2.92Å; N153-K189 VanDerWaalsContact CG-NZ 3.29Å; N153-K189 PolarHBondContact ND2-NZ 3.17Å; N153-K189 PolarHBondContact O-NZ 3.45Å; N153-K189 VanDerWaalsContact OD1-CE 3.22Å; N153-K189 WeakPolarHBondContact OD1-CE 3.33Å; N153-K189 PolarHBondContact OD1-NZ 2.92Å |
| 154 | V | 97.4 | Very high | 96.5 | Very high | 18 Ų | 18 | 24.2 Ų | 24.2 | 11% | 0.109 | 13% | 0.129 | C | C | . | . | G | 310 helix | trans | -73.1 | -20.6 | 167.3 | -64.3 | 0 | 0 | 0 | 0 | 112.9 | L21 I24 L28 L128 S151 T152 | L21-V154 HydrophobicContact CD2-CG1 4.2Å; I24-V154 HydrophobicContact CB-CG1 4.43Å; I24-V154 HydrophobicContact CG1-CG1 4.07Å; I24-V154 HydrophobicContact CG1-CG2 4.42Å; I24-V154 HydrophobicContact CG2-CG1 3.55Å; L28-V154 HydrophobicContact CD1-CB 4.06Å; L28-V154 HydrophobicContact CD1-CG1 4.33Å; L28-V154 HydrophobicContact CD1-CG2 3.65Å; L128-V154 HydrophobicContact CD1-CG2 4.25Å; S151-V154 WeakPolarHBondContact O-CG2 3.33Å; T152-V154 PolarHBondContact O-N 2.8Å |
| 155 | V | 97.6 | Very high | 96.6 | Very high | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.012 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -73.7 | 156.8 | -178.3 | -56.8 | 0 | 0 | 0 | 0 | 112.2 | E35 V40 L128 T152 N153 P157 | E35-V155 HydrophobicContact CB-CG1 4.48Å; V40-V155 HydrophobicContact CB-CB 4.31Å; V40-V155 HydrophobicContact CB-CG2 4.27Å; V40-V155 HydrophobicContact CG1-CB 4.35Å; V40-V155 HydrophobicContact CG1-CG2 3.87Å; V40-V155 HydrophobicContact CG2-CB 4.12Å; V40-V155 HydrophobicContact CG2-CG1 4.08Å; L128-V155 HydrophobicContact CD1-CG1 4.5Å; L128-V155 HydrophobicContact CD2-CG1 3.82Å; T152-V155 WeakPolarHBondContact O-CG1 3.2Å; T152-V155 VanDerWaalsContact O-CG2 3.25Å; T152-V155 WeakPolarHBondContact O-CG2 3.19Å; T152-V155 PolarHBondContact O-N 3.48Å; N153-V155 VanDerWaalsContact C-N 3.29Å; V155-P157 WeakPolarHBondContact O-CD 3.27Å |
| 156 | K | 95.8 | Very high | 96.6 | Very high | 173 Ų | 173 | 23.3 Ų | 23.3 | 75% | 0.752 | 12% | 0.123 | S | C | * | . | trans | -107.8 | 91.2 | 167.7 | -69.5 | -179 | -177.7 | 177.2 | 0 | 108.8 | ||||
| 157 | P | 98.5 | Very high | 96.4 | Very high | 6 Ų | 6 | 28.8 Ų | 28.8 | 4% | 0.039 | 14% | 0.144 | C | C | . | . | trans | -70.2 | 155.9 | -173.5 | 26.9 | -31.7 | 0 | 0 | 0 | 112.7 | V40 H42 V155 L159 T160 K189 V192 | V40-P157 CarbonylContact O-C 3.48Å; V40-P157 WeakPolarHBondContact O-CA 3.2Å; V40-P157 VanDerWaalsContact O-CB 3.26Å; V40-P157 WeakPolarHBondContact O-CB 3.37Å; H42-P157 HydrophobicContact CB-CB 3.88Å; H42-P157 HydrophobicContact CB-CG 4.17Å; V155-P157 WeakPolarHBondContact O-CD 3.27Å; P157-L159 WeakPolarHBondContact CB-O 3.22Å; P157-T160 HydrophobicContact CB-CG2 3.92Å; P157-T160 HydrophobicContact CG-CG2 3.44Å; P157-T160 VanDerWaalsContact CG-CG2 3.44Å; P157-K189 HydrophobicContact CG-CG 4.1Å; P157-V192 HydrophobicContact CG-CG1 4.3Å; P157-V192 WeakPolarHBondContact O-CG1 3.36Å; P157-V192 VanDerWaalsContact O-CG2 3.24Å; P157-V192 WeakPolarHBondContact O-CG2 3Å | ||
| 158 | I | 98.7 | Very high | 95.7 | Very high | 40 Ų | 40 | 31.4 Ų | 31.4 | 21% | 0.205 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -89.5 | -25 | 169.8 | 62.4 | 171 | 0 | 0 | 0 | 112.1 | P39 V40 I41 V138 Y275 Q278 | P39-I158 HydrophobicContact CB-CD1 4.36Å; P39-I158 HydrophobicContact CB-CG2 4.41Å; V40-I158 WeakPolarHBondContact O-CG1 3.34Å; V40-I158 PolarHBondContact O-N 2.57Å; I41-I158 HydrophobicContact CG1-CD1 4.46Å; I41-I158 HydrophobicContact CG1-CG1 4.21Å; V138-I158 HydrophobicContact CG2-CD1 4.16Å; I158-Y275 HydrophobicContact CD1-CD2 3.97Å; I158-Y275 HydrophobicContact CD1-CE2 4Å; I158-Q278 PolarHBondContact O-NE2 3.39Å |
| 159 | L | 98.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 149.4 | 175.5 | -64.8 | 170.5 | 0 | 0 | 0 | 109 | I41 H42 P157 P193 L271 L274 | I41-L159 WeakPolarHBondContact CA-O 3.36Å; I41-L159 HydrophobicContact CD1-CD1 4.15Å; I41-L159 HydrophobicContact CG1-CB 4.18Å; I41-L159 HydrophobicContact CG1-CD1 4.39Å; I41-L159 HydrophobicContact CG2-CB 4.17Å; H42-L159 PolarHBondContact N-O 2.66Å; P157-L159 WeakPolarHBondContact CB-O 3.22Å; L159-P193 HydrophobicContact CD2-CB 3.88Å; L159-P193 HydrophobicContact CD2-CG 3.95Å; L159-L271 HydrophobicContact CB-CD2 4.06Å; L159-L271 HydrophobicContact CD1-CD2 4.49Å; L159-L271 WeakPolarHBondContact CD1-O 3.36Å; L159-L274 HydrophobicContact CD1-CB 3.99Å; L159-L274 HydrophobicContact CD2-CB 3.69Å; L159-L274 HydrophobicContact CD2-CD1 4.03Å |
| 160 | T | 98.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 153.9 | 176.3 | 57.3 | 0 | 0 | 0 | 0 | 111.1 | H42 P157 I187 V192 P193 V194 V195 | H42-T160 HydrophobicContact CB-CG2 4.32Å; H42-T160 CarbonylContact O-C 3.5Å; H42-T160 VanDerWaalsContact O-CA 3.28Å; H42-T160 WeakPolarHBondContact O-CA 3.35Å; P157-T160 HydrophobicContact CB-CG2 3.92Å; P157-T160 HydrophobicContact CG-CG2 3.44Å; P157-T160 VanDerWaalsContact CG-CG2 3.44Å; T160-I187 HydrophobicContact CG2-CD1 4.34Å; T160-V192 HydrophobicContact CG2-CG1 4Å; T160-P193 PolarHBondContact N-O 2.89Å; T160-P193 PolarHBondContact OG1-O 3.08Å; T160-V194 CarbonylContact O-C 3.59Å; T160-V194 WeakPolarHBondContact O-CA 3.39Å; T160-V194 WeakPolarHBondContact OG1-CA 3.27Å; T160-V194 VanDerWaalsContact OG1-CB 3.31Å; T160-V194 WeakPolarHBondContact OG1-CB 3.42Å; T160-V195 PolarHBondContact O-N 3.42Å |
| 161 | A | 98.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 146.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | H42 I43 A44 I187 V195 V267 L271 | H42-A161 PolarHBondContact O-N 3.31Å; I43-A161 HydrophobicContact CG1-CB 4.37Å; A44-A161 PolarHBondContact N-O 3.42Å; A161-I187 WeakPolarHBondContact O-CD1 3.39Å; A161-V195 CarbonylContact C-O 3.57Å; A161-V195 WeakPolarHBondContact CA-O 3.14Å; A161-V195 HydrophobicContact CB-CB 4.38Å; A161-V267 HydrophobicContact CB-CG1 3.97Å; A161-L271 HydrophobicContact CB-CD1 3.79Å; A161-L271 HydrophobicContact CB-CD2 4.19Å; A161-L271 HydrophobicContact CB-CG 4.37Å |
| 162 | I | 98.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 104.8 | 170.2 | -54.7 | 177 | 0 | 0 | 0 | 107.4 | A44 I165 K184 A185 I187 I188 V194 V195 T196 G197 I199 I207 | A44-I162 HydrophobicContact CB-CG1 4.43Å; A44-I162 WeakPolarHBondContact O-CA 3.28Å; I162-I165 HydrophobicContact CG2-CD1 3.82Å; I162-K184 HydrophobicContact CG2-CB 4.4Å; I162-A185 HydrophobicContact CD1-CB 4.34Å; I162-I187 HydrophobicContact CG1-CD1 4.45Å; I162-I188 HydrophobicContact CD1-CD1 4.26Å; I162-V194 HydrophobicContact CG1-CG2 4.49Å; I162-V195 PolarHBondContact N-O 2.95Å; I162-T196 CarbonylContact O-C 3.49Å; I162-T196 WeakPolarHBondContact O-CA 3.11Å; I162-G197 PolarHBondContact O-N 3.01Å; I162-I199 HydrophobicContact CB-CD1 4.32Å; I162-I199 HydrophobicContact CG2-CD1 3.86Å; I162-I207 HydrophobicContact CB-CD1 4.48Å; I162-I207 HydrophobicContact CD1-CD1 3.95Å; I162-I207 HydrophobicContact CD1-CG1 4Å; I162-I207 HydrophobicContact CD1-CG2 3.83Å; I162-I207 HydrophobicContact CG2-CD1 4.05Å |
| 163 | T | 98 | Very high | 93.4 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | trans | -69.9 | -56.7 | -171.8 | 54.4 | 0 | 0 | 0 | 0 | 112.3 | I43 A44 G45 N47 T52 G197 | I43-T163 HydrophobicContact CG2-CG2 4.06Å; A44-T163 PolarHBondContact O-N 2.82Å; A44-T163 PolarHBondContact O-OG1 2.72Å; G45-T163 WeakPolarHBondContact CA-OG1 3.29Å; N47-T163 WeakPolarHBondContact O-CB 3.3Å; N47-T163 PolarHBondContact O-OG1 3.45Å; T52-T163 HydrophobicContact CG2-CG2 4.47Å; T163-G197 CarbonylContact O-C 3.52Å; T163-G197 WeakPolarHBondContact O-CA 3.22Å | ||
| 164 | T | 95.6 | Very high | 93.1 | Very high | 30 Ų | 30 | 42.3 Ų | 42.3 | 18% | 0.184 | 22% | 0.217 | C | C | . | . | trans | -149.4 | 154.7 | -176.7 | 58.4 | 0 | 0 | 0 | 0 | 112.1 | G45 T46 N47 | G45-T164 CarbonylContact C-O 3.53Å; G45-T164 WeakPolarHBondContact CA-O 3.47Å; T46-T164 PolarHBondContact N-O 3.15Å; T46-T164 PolarHBondContact OG1-O 3.16Å; N47-T164 PolarHBondContact N-OG1 3.01Å; N47-T164 PolarHBondContact O-OG1 2.86Å | ||
| 165 | I | 95.6 | Very high | 92.9 | Very high | 21 Ų | 21 | 47.3 Ų | 47.3 | 11% | 0.108 | 24% | 0.243 | C | C | . | . | trans | -116.4 | 127.3 | 170.3 | -51.6 | -62.7 | 0 | 0 | 0 | 109.6 | T46 I162 L177 I180 A181 K184 I199 P203 I207 | T46-I165 WeakPolarHBondContact OG1-CA 3.31Å; I162-I165 HydrophobicContact CG2-CD1 3.82Å; I165-L177 HydrophobicContact CG2-CB 4.27Å; I165-L177 HydrophobicContact CG2-CD2 4.33Å; I165-L177 WeakPolarHBondContact CG2-O 3.37Å; I165-I180 HydrophobicContact CG2-CB 4.46Å; I165-I180 HydrophobicContact CG2-CG2 4.14Å; I165-A181 HydrophobicContact CD1-CB 4.05Å; I165-A181 HydrophobicContact CG1-CB 4.16Å; I165-A181 HydrophobicContact CG2-CB 4.29Å; I165-K184 HydrophobicContact CD1-CB 4.22Å; I165-K184 HydrophobicContact CD1-CD 3.55Å; I165-K184 HydrophobicContact CD1-CG 4.45Å; I165-I199 HydrophobicContact CB-CG2 4.17Å; I165-I199 HydrophobicContact CG1-CD1 3.99Å; I165-I199 HydrophobicContact CG1-CG1 4.18Å; I165-I199 HydrophobicContact CG1-CG2 3.65Å; I165-P203 HydrophobicContact CB-CB 3.95Å; I165-P203 HydrophobicContact CB-CG 4.49Å; I165-P203 HydrophobicContact CG1-CB 4.01Å; I165-P203 HydrophobicContact CG2-CB 3.85Å; I165-P203 HydrophobicContact CG2-CG 4.16Å; I165-I207 HydrophobicContact CD1-CD1 4.28Å; I165-I207 HydrophobicContact CG1-CD1 4.25Å | ||
| 166 | G | 90.4 | Very high | 92.8 | Very high | 20 Ų | 20 | 50.1 Ų | 50.1 | 21% | 0.206 | 26% | 0.261 | C | S | . | . | trans | -152.3 | 169.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | T46 D168 L177 | T46-G166 PolarHBondContact OG1-N 2.95Å; G166-D168 PolarHBondContact O-N 3.45Å; G166-L177 VanDerWaalsContact C-CD2 3.48Å | ||
| 167 | Y | 88.3 | Confident | 92.8 | Very high | 116 Ų | 116 | 43.6 Ų | 43.6 | 46% | 0.455 | 23% | 0.234 | S | C | . | . | trans | -70.9 | 117.1 | 174.3 | -65.3 | -69.8 | 0 | 0 | 0 | 109.7 | M170 L177 I180 | Y167-M170 HydrophobicContact CD1-CG 4.32Å; Y167-M170 HydrophobicContact CD1-SD 3.64Å; Y167-M170 HydrophobicContact CE1-SD 4.46Å; Y167-M170 HydrophobicContact CG-SD 4.17Å; Y167-L177 HydrophobicContact CD1-CD2 3.8Å; Y167-L177 HydrophobicContact CD1-CG 4.35Å; Y167-L177 HydrophobicContact CD2-CD2 3.81Å; Y167-L177 HydrophobicContact CD2-CG 4.4Å; Y167-L177 HydrophobicContact CE1-CD2 3.79Å; Y167-L177 HydrophobicContact CE1-CG 3.81Å; Y167-L177 HydrophobicContact CE2-CD1 4.17Å; Y167-L177 HydrophobicContact CE2-CD2 3.8Å; Y167-L177 HydrophobicContact CE2-CG 3.87Å; Y167-L177 HydrophobicContact CG-CD2 3.81Å; Y167-I180 HydrophobicContact CD1-CD1 4.08Å | ||
| 168 | D | 81.5 | Confident | 92.7 | Very high | 55 Ų | 55 | 46 Ų | 46 | 29% | 0.294 | 25% | 0.246 | S | C | . | . | trans | -159.9 | 145.2 | 174 | -167.9 | 14.7 | 0 | 0 | 0 | 108.4 | T46 G166 M170 | T46-D168 HydrophobicContact CG2-CB 3.69Å; G166-D168 PolarHBondContact O-N 3.45Å; D168-M170 VanDerWaalsContact C-N 3.25Å; D168-M170 PolarHBondContact O-N 2.83Å; D168-M170 VanDerWaalsContact O-N 3.16Å | ||
| 169 | H | 83.1 | Confident | 92.6 | Very high | 89 Ų | 89 | 48.6 Ų | 48.6 | 41% | 0.412 | 26% | 0.258 | S | S | . | . | trans | 46.5 | 43.4 | -178.9 | -59 | -72.3 | 0 | 0 | 0 | 114.5 | L145 D171 V172 L173 | L145-H169 HydrophobicContact CD1-CB 3.56Å; L145-H169 WeakPolarHBondContact CD1-CD2 3.39Å; H169-D171 VanDerWaalsContact C-OD1 3.27Å; H169-D171 PolarHBondContact O-N 3.33Å; H169-V172 PolarHBondContact O-N 2.67Å; H169-L173 HydrophobicContact CB-CD1 4.09Å; H169-L173 HydrophobicContact CB-CG 4.07Å; H169-L173 WeakPolarHBondContact O-CB 3.27Å; H169-L173 PolarHBondContact O-N 3.2Å | ||
| 170 | M | 86.4 | Confident | 92.5 | Very high | 88 Ų | 88 | 48.7 Ų | 48.7 | 43% | 0.433 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -59.7 | -31.3 | -174.3 | -64.4 | -176.5 | -60.4 | 0 | 0 | 112.9 | Y167 D168 V172 G174 | Y167-M170 HydrophobicContact CD1-CG 4.32Å; Y167-M170 HydrophobicContact CD1-SD 3.64Å; Y167-M170 HydrophobicContact CE1-SD 4.46Å; Y167-M170 HydrophobicContact CG-SD 4.17Å; D168-M170 VanDerWaalsContact C-N 3.25Å; D168-M170 PolarHBondContact O-N 2.83Å; D168-M170 VanDerWaalsContact O-N 3.16Å; M170-V172 PolarHBondContact O-N 3.11Å; M170-V172 VanDerWaalsContact O-N 3.16Å; M170-G174 WeakPolarHBondContact CA-O 3.17Å; M170-G174 WeakPolarHBondContact CB-O 3.23Å; M170-G174 CarbonylContact O-C 3.6Å; M170-G174 PolarHBondContact O-N 3.05Å |
| 171 | D | 86.7 | Confident | 92.4 | Very high | 144 Ų | 144 | 48.7 Ų | 48.7 | 77% | 0.77 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -60 | -21.9 | 174.3 | 62.1 | -48.7 | 0 | 0 | 0 | 113.6 | H169 | H169-D171 VanDerWaalsContact C-OD1 3.27Å; H169-D171 PolarHBondContact O-N 3.33Å |
| 172 | V | 85.8 | Confident | 92.3 | Very high | 60 Ų | 60 | 50.2 Ų | 50.2 | 36% | 0.364 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -112.5 | -36.8 | 178.5 | -173.3 | 0 | 0 | 0 | 0 | 112.5 | P19 L145 H169 M170 | P19-V172 HydrophobicContact CG-CG1 4.03Å; L145-V172 HydrophobicContact CD2-CB 4.32Å; L145-V172 HydrophobicContact CD2-CG1 3.89Å; L145-V172 HydrophobicContact CD2-CG2 4.5Å; H169-V172 PolarHBondContact O-N 2.67Å; M170-V172 PolarHBondContact O-N 3.11Å; M170-V172 VanDerWaalsContact O-N 3.16Å |
| 173 | L | 89.3 | Confident | 92.2 | Very high | 9 Ų | 9 | 52.8 Ų | 52.8 | 5% | 0.047 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -97.8 | -13.4 | -169.3 | -59.6 | -173.2 | 0 | 0 | 0 | 114.4 | L145 H169 E179 I180 Q183 | L145-L173 HydrophobicContact CD1-CD1 3.98Å; L145-L173 HydrophobicContact CD1-CD2 4.14Å; L145-L173 HydrophobicContact CD1-CG 4.13Å; L145-L173 HydrophobicContact CG-CD2 4.2Å; H169-L173 HydrophobicContact CB-CD1 4.09Å; H169-L173 HydrophobicContact CB-CG 4.07Å; H169-L173 WeakPolarHBondContact O-CB 3.27Å; H169-L173 PolarHBondContact O-N 3.2Å; L173-E179 CarbonylContact O-C 3.52Å; L173-I180 HydrophobicContact CB-CG1 3.93Å; L173-I180 HydrophobicContact CD1-CG2 4.36Å; L173-Q183 HydrophobicContact CD2-CB 4.21Å; L173-Q183 HydrophobicContact CD2-CG 4.25Å |
| 174 | G | 91 | Very high | 92.2 | Very high | 16 Ų | 16 | 53.1 Ų | 53.1 | 17% | 0.165 | 29% | 0.287 | C | S | . | . | trans | 111.4 | 166.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | M170 | M170-G174 WeakPolarHBondContact CA-O 3.17Å; M170-G174 WeakPolarHBondContact CB-O 3.23Å; M170-G174 CarbonylContact O-C 3.6Å; M170-G174 PolarHBondContact O-N 3.05Å | ||
| 175 | D | 93.9 | Very high | 92.3 | Very high | 123 Ų | 123 | 51.7 Ų | 51.7 | 66% | 0.658 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -89 | -10.4 | -170.8 | -65.3 | -42.9 | 0 | 0 | 0 | 112.8 | E179 | D175-E179 PolarHBondContact N-OE2 3.09Å; D175-E179 VanDerWaalsContact N-OE2 3.11Å |
| 176 | T | 95.4 | Very high | 92.4 | Very high | 61 Ų | 61 | 51 Ų | 51 | 37% | 0.374 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -120.2 | 151.1 | -177.8 | 68.4 | 0 | 0 | 0 | 0 | 112.6 | N178 E179 I180 | T176-N178 PolarHBondContact O-N 2.94Å; T176-E179 WeakPolarHBondContact CB-OE2 3.36Å; T176-E179 WeakPolarHBondContact CG2-OE2 3.15Å; T176-E179 PolarHBondContact N-OE2 2.89Å; T176-E179 PolarHBondContact O-N 3.02Å; T176-E179 VanDerWaalsContact O-N 3.17Å; T176-E179 VanDerWaalsContact OG1-CG 3.27Å; T176-E179 WeakPolarHBondContact OG1-CG 3.49Å; T176-E179 PolarHBondContact OG1-N 3.04Å; T176-E179 PolarHBondContact OG1-OE2 3.46Å; T176-I180 WeakPolarHBondContact O-CG1 3.32Å; T176-I180 PolarHBondContact O-N 3.22Å |
| 177 | L | 95.5 | Very high | 92.8 | Very high | 37 Ų | 37 | 50 Ų | 50 | 19% | 0.194 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.2 | -26.7 | 174.3 | -62.1 | 176.4 | 0 | 0 | 0 | 112.7 | I165 G166 Y167 A181 P203 | I165-L177 HydrophobicContact CG2-CB 4.27Å; I165-L177 HydrophobicContact CG2-CD2 4.33Å; I165-L177 WeakPolarHBondContact CG2-O 3.37Å; G166-L177 VanDerWaalsContact C-CD2 3.48Å; Y167-L177 HydrophobicContact CD1-CD2 3.8Å; Y167-L177 HydrophobicContact CD1-CG 4.35Å; Y167-L177 HydrophobicContact CD2-CD2 3.81Å; Y167-L177 HydrophobicContact CD2-CG 4.4Å; Y167-L177 HydrophobicContact CE1-CD2 3.79Å; Y167-L177 HydrophobicContact CE1-CG 3.81Å; Y167-L177 HydrophobicContact CE2-CD1 4.17Å; Y167-L177 HydrophobicContact CE2-CD2 3.8Å; Y167-L177 HydrophobicContact CE2-CG 3.87Å; Y167-L177 HydrophobicContact CG-CD2 3.81Å; L177-A181 VanDerWaalsContact O-CB 3.3Å; L177-A181 WeakPolarHBondContact O-CB 3.45Å; L177-A181 PolarHBondContact O-N 2.96Å; L177-P203 HydrophobicContact CB-CB 4.48Å; L177-P203 HydrophobicContact CB-CG 3.41Å; L177-P203 VanDerWaalsContact CB-CG 3.41Å; L177-P203 HydrophobicContact CD1-CG 4.2Å; L177-P203 HydrophobicContact CG-CG 4.42Å |
| 178 | N | 96.7 | Very high | 93.3 | Very high | 55 Ų | 55 | 44.5 Ų | 44.5 | 29% | 0.294 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -69.8 | -45.8 | 175.6 | -78.4 | 52.9 | 0 | 0 | 0 | 111.3 | T176 I180 A181 G182 G202 E206 | T176-N178 PolarHBondContact O-N 2.94Å; N178-I180 VanDerWaalsContact C-N 3.34Å; N178-I180 PolarHBondContact O-N 3.43Å; N178-A181 WeakPolarHBondContact O-CB 3.42Å; N178-A181 PolarHBondContact O-N 3.25Å; N178-G182 PolarHBondContact O-N 3.4Å; N178-G202 PolarHBondContact ND2-O 2.94Å; N178-E206 HydrophobicContact CB-CG 3.87Å; N178-E206 PolarHBondContact ND2-OE1 3.13Å |
| 179 | E | 95.8 | Very high | 94.1 | Very high | 96 Ų | 96 | 44.5 Ų | 44.5 | 45% | 0.449 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.4 | -44 | 174.8 | -71.4 | 165.1 | 120.4 | 0 | 0 | 111.6 | L173 D175 T176 A181 G182 Q183 | L173-E179 CarbonylContact O-C 3.52Å; D175-E179 PolarHBondContact N-OE2 3.09Å; D175-E179 VanDerWaalsContact N-OE2 3.11Å; T176-E179 WeakPolarHBondContact CB-OE2 3.36Å; T176-E179 WeakPolarHBondContact CG2-OE2 3.15Å; T176-E179 PolarHBondContact N-OE2 2.89Å; T176-E179 PolarHBondContact O-N 3.02Å; T176-E179 VanDerWaalsContact O-N 3.17Å; T176-E179 VanDerWaalsContact OG1-CG 3.27Å; T176-E179 WeakPolarHBondContact OG1-CG 3.49Å; T176-E179 PolarHBondContact OG1-N 3.04Å; T176-E179 PolarHBondContact OG1-OE2 3.46Å; E179-A181 VanDerWaalsContact C-N 3.29Å; E179-A181 PolarHBondContact O-N 3.47Å; E179-G182 PolarHBondContact O-N 3.26Å; E179-Q183 PolarHBondContact O-N 2.94Å |
| 180 | I | 96.1 | Very high | 94.8 | Very high | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60 | -41 | 175.6 | -64.7 | 169.4 | 0 | 0 | 0 | 110.8 | I165 Y167 L173 T176 N178 Q183 K184 | I165-I180 HydrophobicContact CG2-CB 4.46Å; I165-I180 HydrophobicContact CG2-CG2 4.14Å; Y167-I180 HydrophobicContact CD1-CD1 4.08Å; L173-I180 HydrophobicContact CB-CG1 3.93Å; L173-I180 HydrophobicContact CD1-CG2 4.36Å; T176-I180 WeakPolarHBondContact O-CG1 3.32Å; T176-I180 PolarHBondContact O-N 3.22Å; N178-I180 VanDerWaalsContact C-N 3.34Å; N178-I180 PolarHBondContact O-N 3.43Å; I180-Q183 PolarHBondContact O-N 2.83Å; I180-K184 HydrophobicContact CG2-CD 4.06Å; I180-K184 VanDerWaalsContact CG2-CE 3.43Å; I180-K184 WeakPolarHBondContact O-CG 3.46Å; I180-K184 PolarHBondContact O-N 3.07Å |
| 181 | A | 97.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.6 | -42.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | I165 L177 N178 E179 Q183 K184 A185 P203 E206 I207 | I165-A181 HydrophobicContact CD1-CB 4.05Å; I165-A181 HydrophobicContact CG1-CB 4.16Å; I165-A181 HydrophobicContact CG2-CB 4.29Å; L177-A181 VanDerWaalsContact O-CB 3.3Å; L177-A181 WeakPolarHBondContact O-CB 3.45Å; L177-A181 PolarHBondContact O-N 2.96Å; N178-A181 WeakPolarHBondContact O-CB 3.42Å; N178-A181 PolarHBondContact O-N 3.25Å; E179-A181 VanDerWaalsContact C-N 3.29Å; E179-A181 PolarHBondContact O-N 3.47Å; A181-Q183 VanDerWaalsContact C-N 3.32Å; A181-Q183 PolarHBondContact O-N 3.45Å; A181-K184 PolarHBondContact O-N 2.92Å; A181-A185 VanDerWaalsContact O-CB 3.25Å; A181-A185 WeakPolarHBondContact O-CB 3.45Å; A181-A185 PolarHBondContact O-N 3.1Å; A181-P203 HydrophobicContact CB-CB 3.87Å; A181-P203 WeakPolarHBondContact CB-O 3.48Å; A181-E206 HydrophobicContact CB-CB 4.06Å; A181-E206 HydrophobicContact CB-CG 4.4Å; A181-I207 HydrophobicContact CB-CG1 4.32Å |
| 182 | G | 97.2 | Very high | 96 | Very high | 33 Ų | 33 | 42.1 Ų | 42.1 | 34% | 0.34 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -58.5 | -42.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | N178 E179 A185 G186 | N178-G182 PolarHBondContact O-N 3.4Å; E179-G182 PolarHBondContact O-N 3.26Å; G182-A185 PolarHBondContact O-N 3.32Å; G182-G186 PolarHBondContact O-N 3.44Å |
| 183 | Q | 96.7 | Very high | 96.6 | Very high | 54 Ų | 54 | 40.3 Ų | 40.3 | 25% | 0.252 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -60.9 | -47.7 | 173.5 | -72.9 | -63.5 | -30.2 | 0 | 0 | 112 | G147 L148 L173 E179 I180 A181 G186 | G147-Q183 CarbonylContact C-O 3.37Å; G147-Q183 WeakPolarHBondContact CA-O 3.47Å; G147-Q183 PolarHBondContact N-O 2.87Å; L148-Q183 PolarHBondContact N-O 3Å; L173-Q183 HydrophobicContact CD2-CB 4.21Å; L173-Q183 HydrophobicContact CD2-CG 4.25Å; E179-Q183 PolarHBondContact O-N 2.94Å; I180-Q183 PolarHBondContact O-N 2.83Å; A181-Q183 VanDerWaalsContact C-N 3.32Å; A181-Q183 PolarHBondContact O-N 3.45Å; Q183-G186 PolarHBondContact O-N 2.89Å |
| 184 | K | 97.8 | Very high | 97 | Very high | 7 Ų | 7 | 39.9 Ų | 39.9 | 3% | 0.03 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -68 | -34.3 | -179.9 | -70.8 | 173.4 | -169.1 | -57 | 0 | 112.3 | A44 G45 T46 G146 I162 I165 I180 A181 G186 I187 | A44-K184 HydrophobicContact CB-CB 4.39Å; G45-K184 PolarHBondContact O-NZ 3.43Å; T46-K184 WeakPolarHBondContact OG1-CE 3.26Å; G146-K184 VanDerWaalsContact O-CG 3.26Å; G146-K184 WeakPolarHBondContact O-CG 3.48Å; I162-K184 HydrophobicContact CG2-CB 4.4Å; I165-K184 HydrophobicContact CD1-CB 4.22Å; I165-K184 HydrophobicContact CD1-CD 3.55Å; I165-K184 HydrophobicContact CD1-CG 4.45Å; I180-K184 HydrophobicContact CG2-CD 4.06Å; I180-K184 VanDerWaalsContact CG2-CE 3.43Å; I180-K184 WeakPolarHBondContact O-CG 3.46Å; I180-K184 PolarHBondContact O-N 3.07Å; A181-K184 PolarHBondContact O-N 2.92Å; K184-G186 PolarHBondContact O-N 2.81Å; K184-G186 VanDerWaalsContact O-N 3.16Å; K184-I187 PolarHBondContact O-N 3.48Å |
| 185 | A | 98.2 | Very high | 97.4 | Very high | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.008 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -66.3 | -11.4 | 175 | 0 | 0 | 0 | 0 | 0 | 113.4 | I162 A181 G182 I187 I188 I207 K210 | I162-A185 HydrophobicContact CD1-CB 4.34Å; A181-A185 VanDerWaalsContact O-CB 3.25Å; A181-A185 WeakPolarHBondContact O-CB 3.45Å; A181-A185 PolarHBondContact O-N 3.1Å; G182-A185 PolarHBondContact O-N 3.32Å; A185-I187 PolarHBondContact O-N 3.27Å; A185-I187 VanDerWaalsContact O-N 3.13Å; A185-I188 HydrophobicContact CB-CD1 4.15Å; A185-I188 WeakPolarHBondContact O-CB 3.44Å; A185-I188 WeakPolarHBondContact O-CG1 3.38Å; A185-I188 PolarHBondContact O-N 2.99Å; A185-I207 HydrophobicContact CB-CG1 4.26Å; A185-K210 HydrophobicContact CB-CB 3.91Å; A185-K210 HydrophobicContact CB-CG 3.87Å; A185-K210 WeakPolarHBondContact O-CG 3.27Å |
| 186 | G | 97.6 | Very high | 97.6 | Very high | 5 Ų | 5 | 33.3 Ų | 33.3 | 5% | 0.052 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -62.4 | -13.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | N153 G182 Q183 K184 I188 | N153-G186 PolarHBondContact ND2-O 3.22Å; N153-G186 PolarHBondContact OD1-O 2.92Å; G182-G186 PolarHBondContact O-N 3.44Å; Q183-G186 PolarHBondContact O-N 2.89Å; K184-G186 PolarHBondContact O-N 2.81Å; K184-G186 VanDerWaalsContact O-N 3.16Å; G186-I188 VanDerWaalsContact C-N 3.34Å |
| 187 | I | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -78 | -18.9 | 172 | 70 | 162.3 | 0 | 0 | 0 | 113.2 | H42 A44 V143 T160 A161 I162 K184 A185 K189 | H42-I187 WeakPolarHBondContact O-CD1 3.36Å; A44-I187 HydrophobicContact CB-CD1 3.61Å; A44-I187 HydrophobicContact CB-CG1 4.18Å; A44-I187 HydrophobicContact CB-CG2 4.25Å; V143-I187 HydrophobicContact CG2-CG2 3.84Å; T160-I187 HydrophobicContact CG2-CD1 4.34Å; A161-I187 WeakPolarHBondContact O-CD1 3.39Å; I162-I187 HydrophobicContact CG1-CD1 4.45Å; K184-I187 PolarHBondContact O-N 3.48Å; A185-I187 PolarHBondContact O-N 3.27Å; A185-I187 VanDerWaalsContact O-N 3.13Å; I187-K189 WeakPolarHBondContact O-CG 3.44Å; I187-K189 PolarHBondContact O-N 2.96Å |
| 188 | I | 98.6 | Very high | 97.8 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | trans | -68.6 | 124.1 | -179.4 | -59.1 | 173.2 | 0 | 0 | 0 | 108.5 | I162 A185 G186 V194 I207 K210 A211 E214 A216 | I162-I188 HydrophobicContact CD1-CD1 4.26Å; A185-I188 HydrophobicContact CB-CD1 4.15Å; A185-I188 WeakPolarHBondContact O-CB 3.44Å; A185-I188 WeakPolarHBondContact O-CG1 3.38Å; A185-I188 PolarHBondContact O-N 2.99Å; G186-I188 VanDerWaalsContact C-N 3.34Å; I188-V194 HydrophobicContact CD1-CB 4.42Å; I188-V194 HydrophobicContact CD1-CG1 4.26Å; I188-V194 HydrophobicContact CD1-CG2 4.09Å; I188-V194 HydrophobicContact CG1-CB 4.31Å; I188-V194 HydrophobicContact CG1-CG2 4.06Å; I188-I207 HydrophobicContact CD1-CG2 3.94Å; I188-K210 HydrophobicContact CB-CG 4.2Å; I188-K210 HydrophobicContact CD1-CB 4.46Å; I188-K210 HydrophobicContact CD1-CG 4.17Å; I188-A211 HydrophobicContact CD1-CB 4.38Å; I188-E214 HydrophobicContact CG2-CB 4.04Å; I188-E214 HydrophobicContact CG2-CG 4.17Å; I188-A216 HydrophobicContact CG2-CB 3.62Å | ||
| 189 | K | 98.3 | Very high | 97.8 | Very high | 55 Ų | 55 | 32.7 Ų | 32.7 | 24% | 0.239 | 17% | 0.166 | C | C | . | . | trans | -115 | 160 | 179.3 | -52.4 | -53.9 | -179 | 179.7 | 0 | 111.1 | N153 P157 I187 N191 V192 | N153-K189 VanDerWaalsContact CG-NZ 3.29Å; N153-K189 PolarHBondContact ND2-NZ 3.17Å; N153-K189 PolarHBondContact O-NZ 3.45Å; N153-K189 VanDerWaalsContact OD1-CE 3.22Å; N153-K189 WeakPolarHBondContact OD1-CE 3.33Å; N153-K189 PolarHBondContact OD1-NZ 2.92Å; P157-K189 HydrophobicContact CG-CG 4.1Å; I187-K189 WeakPolarHBondContact O-CG 3.44Å; I187-K189 PolarHBondContact O-N 2.96Å; K189-N191 PolarHBondContact O-N 3.07Å; K189-V192 HydrophobicContact CB-CB 4.32Å; K189-V192 HydrophobicContact CB-CG2 3.9Å; K189-V192 PolarHBondContact O-N 3.11Å | ||
| 190 | K | 98.4 | Very high | 97.8 | Very high | 144 Ų | 144 | 32.2 Ų | 32.2 | 63% | 0.626 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.1 | 124.6 | -179.3 | -169.6 | 177.6 | -178 | 174.3 | 0 | 113.1 | V192 E214 | K190-V192 PolarHBondContact O-N 3.46Å; K190-V192 VanDerWaalsContact O-N 3.15Å; K190-E214 CarbonylContact C-O 3.52Å; K190-E214 WeakPolarHBondContact CA-O 3.43Å; K190-E214 PolarHBondContact N-OE2 3.2Å |
| 191 | N | 98.4 | Very high | 97.7 | Very high | 106 Ų | 106 | 40.4 Ų | 40.4 | 57% | 0.567 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.5 | 11.6 | -179.9 | -53.4 | -44.5 | 0 | 0 | 0 | 115.7 | K189 E214 | K189-N191 PolarHBondContact O-N 3.07Å; N191-E214 PolarHBondContact N-O 3.09Å |
| 192 | V | 98.5 | Very high | 97.6 | Very high | 20 Ų | 20 | 41.8 Ų | 41.8 | 12% | 0.121 | 22% | 0.22 | C | C | . | . | trans | -92.4 | 125.1 | 177.2 | 179.4 | 0 | 0 | 0 | 0 | 108.9 | P157 T160 K189 K190 A216 | P157-V192 HydrophobicContact CG-CG1 4.3Å; P157-V192 WeakPolarHBondContact O-CG1 3.36Å; P157-V192 VanDerWaalsContact O-CG2 3.24Å; P157-V192 WeakPolarHBondContact O-CG2 3Å; T160-V192 HydrophobicContact CG2-CG1 4Å; K189-V192 HydrophobicContact CB-CB 4.32Å; K189-V192 HydrophobicContact CB-CG2 3.9Å; K189-V192 PolarHBondContact O-N 3.11Å; K190-V192 PolarHBondContact O-N 3.46Å; K190-V192 VanDerWaalsContact O-N 3.15Å; V192-A216 WeakPolarHBondContact O-CB 3.46Å | ||
| 193 | P | 98.8 | Very high | 97.6 | Very high | 22 Ų | 22 | 40.5 Ų | 40.5 | 14% | 0.143 | 21% | 0.205 | C | C | . | . | trans | -59.9 | 148.1 | 178.5 | -23.4 | 33.4 | 0 | 0 | 0 | 113.2 | L159 T160 K217 Y219 L274 | L159-P193 HydrophobicContact CD2-CB 3.88Å; L159-P193 HydrophobicContact CD2-CG 3.95Å; T160-P193 PolarHBondContact N-O 2.89Å; T160-P193 PolarHBondContact OG1-O 3.08Å; P193-K217 WeakPolarHBondContact CA-O 3.34Å; P193-Y219 HydrophobicContact CB-CE2 4.26Å; P193-L274 HydrophobicContact CB-CD1 4.3Å | ||
| 194 | V | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 126.2 | 176 | 61.9 | 0 | 0 | 0 | 0 | 111.4 | T160 I162 I188 T196 A211 K217 M218 Y219 | T160-V194 CarbonylContact O-C 3.59Å; T160-V194 WeakPolarHBondContact O-CA 3.39Å; T160-V194 WeakPolarHBondContact OG1-CA 3.27Å; T160-V194 VanDerWaalsContact OG1-CB 3.31Å; T160-V194 WeakPolarHBondContact OG1-CB 3.42Å; I162-V194 HydrophobicContact CG1-CG2 4.49Å; I188-V194 HydrophobicContact CD1-CB 4.42Å; I188-V194 HydrophobicContact CD1-CG1 4.26Å; I188-V194 HydrophobicContact CD1-CG2 4.09Å; I188-V194 HydrophobicContact CG1-CB 4.31Å; I188-V194 HydrophobicContact CG1-CG2 4.06Å; V194-T196 HydrophobicContact CG2-CG2 4.41Å; V194-A211 HydrophobicContact CG1-CB 4.19Å; V194-K217 PolarHBondContact N-O 3.17Å; V194-M218 HydrophobicContact CG1-CB 4.35Å; V194-M218 HydrophobicContact CG1-CE 4.25Å; V194-M218 HydrophobicContact CG1-CG 3.73Å; V194-M218 WeakPolarHBondContact O-CA 3.33Å; V194-Y219 PolarHBondContact O-N 3.33Å |
| 195 | V | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 127.1 | 171.3 | -176.8 | 0 | 0 | 0 | 0 | 109 | T160 A161 I162 Y219 Y225 V267 E270 L271 L274 | T160-V195 PolarHBondContact O-N 3.42Å; A161-V195 CarbonylContact C-O 3.57Å; A161-V195 WeakPolarHBondContact CA-O 3.14Å; A161-V195 HydrophobicContact CB-CB 4.38Å; I162-V195 PolarHBondContact N-O 2.95Å; V195-Y219 CarbonylContact C-O 3.5Å; V195-Y219 WeakPolarHBondContact CA-O 3.06Å; V195-Y225 HydrophobicContact CG1-CE1 3.71Å; V195-V267 HydrophobicContact CG1-CG1 4.01Å; V195-E270 HydrophobicContact CG1-CB 3.98Å; V195-E270 HydrophobicContact CG1-CG 3.85Å; V195-E270 HydrophobicContact CG2-CB 4.43Å; V195-E270 HydrophobicContact CG2-CG 3.85Å; V195-L271 HydrophobicContact CB-CD2 4.11Å; V195-L271 HydrophobicContact CB-CG 4.27Å; V195-L271 HydrophobicContact CG2-CD2 3.64Å; V195-L271 HydrophobicContact CG2-CG 3.99Å; V195-L274 HydrophobicContact CG2-CD1 3.68Å |
| 196 | T | 98.8 | Very high | 97.6 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.006 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 130.9 | 175.1 | 69.3 | 0 | 0 | 0 | 0 | 110.4 | I162 V194 I199 L204 I207 M218 Y219 R220 Y221 Y225 | I162-T196 CarbonylContact O-C 3.49Å; I162-T196 WeakPolarHBondContact O-CA 3.11Å; V194-T196 HydrophobicContact CG2-CG2 4.41Å; T196-I199 HydrophobicContact CG2-CD1 4.49Å; T196-L204 HydrophobicContact CG2-CD1 4.42Å; T196-I207 HydrophobicContact CG2-CG2 3.93Å; T196-M218 HydrophobicContact CG2-CE 3.88Å; T196-Y219 PolarHBondContact N-O 2.87Å; T196-R220 WeakPolarHBondContact OG1-CA 3.47Å; T196-R220 WeakPolarHBondContact OG1-CG 3.42Å; T196-Y221 WeakPolarHBondContact O-CB 3.36Å; T196-Y221 PolarHBondContact O-N 3.31Å; T196-Y225 PolarHBondContact O-OH 3.08Å |
| 197 | G | 98.3 | Very high | 97.7 | Very high | 3 Ų | 3 | 45.2 Ų | 45.2 | 3% | 0.031 | 23% | 0.228 | C | C | . | . | trans | -70.9 | -161 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | I162 T163 I199 Y221 | I162-G197 PolarHBondContact O-N 3.01Å; T163-G197 CarbonylContact O-C 3.52Å; T163-G197 WeakPolarHBondContact O-CA 3.22Å; G197-I199 PolarHBondContact O-N 2.95Å; G197-Y221 WeakPolarHBondContact O-CB 3.27Å | ||
| 198 | K | 95.6 | Very high | 97.6 | Very high | 116 Ų | 116 | 47.7 Ų | 47.7 | 50% | 0.504 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -77.1 | 94.9 | -174 | -168.9 | 174.9 | -179.5 | 173.4 | 0 | 111.4 | Y221 E263 | K198-Y221 HydrophobicContact CB-CD1 4.03Å; K198-Y221 HydrophobicContact CB-CD2 4.46Å; K198-Y221 HydrophobicContact CB-CE1 4.37Å; K198-Y221 HydrophobicContact CB-CG 4.11Å; K198-Y221 HydrophobicContact CD-CD1 4.45Å; K198-Y221 HydrophobicContact CD-CE1 4.12Å; K198-Y221 HydrophobicContact CG-CD1 4.1Å; K198-Y221 HydrophobicContact CG-CE1 4.27Å; K198-E263 WeakPolarHBondContact CD-OE1 3.36Å; K198-E263 IonicContact NZ-OE1 2.76Å; K198-E263 PolarHBondContact NZ-OE1 2.88Å |
| 199 | I | 97.2 | Very high | 97.6 | Very high | 21 Ų | 21 | 52.9 Ų | 52.9 | 11% | 0.108 | 27% | 0.268 | C | S | . | . | trans | -113.2 | 137.5 | -176.6 | -60 | 173.7 | 0 | 0 | 0 | 109.8 | I162 I165 T196 G197 P203 L204 I207 | I162-I199 HydrophobicContact CB-CD1 4.32Å; I162-I199 HydrophobicContact CG2-CD1 3.86Å; I165-I199 HydrophobicContact CB-CG2 4.17Å; I165-I199 HydrophobicContact CG1-CD1 3.99Å; I165-I199 HydrophobicContact CG1-CG1 4.18Å; I165-I199 HydrophobicContact CG1-CG2 3.65Å; T196-I199 HydrophobicContact CG2-CD1 4.49Å; G197-I199 PolarHBondContact O-N 2.95Å; I199-P203 HydrophobicContact CG2-CB 3.88Å; I199-L204 HydrophobicContact CB-CB 4.46Å; I199-L204 HydrophobicContact CB-CD1 4.49Å; I199-L204 HydrophobicContact CG2-CB 4.01Å; I199-I207 HydrophobicContact CD1-CD1 3.48Å; I199-I207 VanDerWaalsContact CD1-CD1 3.48Å; I199-I207 HydrophobicContact CG2-CD1 4.4Å | ||
| 200 | T | 95.1 | Very high | 97.6 | Very high | 87 Ų | 87 | 53 Ų | 53 | 53% | 0.534 | 27% | 0.268 | S | S | . | . | trans | -67.8 | 153 | 177.6 | 53.5 | 0 | 0 | 0 | 0 | 111.4 | G202 P203 L204 | T200-G202 VanDerWaalsContact C-N 3.34Å; T200-G202 PolarHBondContact O-N 3.46Å; T200-P203 WeakPolarHBondContact O-CD 3.44Å; T200-P203 WeakPolarHBondContact OG1-CD 3.31Å; T200-L204 WeakPolarHBondContact O-CB 3.4Å; T200-L204 PolarHBondContact O-N 3.08Å | ||
| 201 | K | 94.8 | Very high | 97.6 | Very high | 173 Ų | 173 | 46.2 Ų | 46.2 | 75% | 0.752 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -54.4 | -42.3 | -169.8 | -171.9 | 179.2 | -179.7 | -179.5 | 0 | 114.4 | L204 I205 | K201-L204 PolarHBondContact O-N 3.22Å; K201-I205 HydrophobicContact CG-CD1 4.45Å; K201-I205 WeakPolarHBondContact O-CG1 3.19Å; K201-I205 PolarHBondContact O-N 2.89Å |
| 202 | G | 95.8 | Very high | 97.6 | Very high | 29 Ų | 29 | 44.5 Ų | 44.5 | 30% | 0.299 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -59.5 | -61.5 | -178 | 0 | 0 | 0 | 0 | 0 | 112.3 | N178 T200 L204 I205 | N178-G202 PolarHBondContact ND2-O 2.94Å; T200-G202 VanDerWaalsContact C-N 3.34Å; T200-G202 PolarHBondContact O-N 3.46Å; G202-L204 VanDerWaalsContact C-N 3.28Å; G202-L204 PolarHBondContact O-N 3.5Å; G202-I205 WeakPolarHBondContact O-CB 3.43Å; G202-I205 PolarHBondContact O-N 3.41Å |
| 203 | P | 96.8 | Very high | 97.6 | Very high | 5 Ų | 5 | 49.8 Ų | 49.8 | 3% | 0.032 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.4 | -33.6 | 174.5 | -31.5 | 40.4 | 0 | 0 | 0 | 114.8 | I165 L177 A181 I199 T200 I205 E206 | I165-P203 HydrophobicContact CB-CB 3.95Å; I165-P203 HydrophobicContact CB-CG 4.49Å; I165-P203 HydrophobicContact CG1-CB 4.01Å; I165-P203 HydrophobicContact CG2-CB 3.85Å; I165-P203 HydrophobicContact CG2-CG 4.16Å; L177-P203 HydrophobicContact CB-CB 4.48Å; L177-P203 HydrophobicContact CB-CG 3.41Å; L177-P203 VanDerWaalsContact CB-CG 3.41Å; L177-P203 HydrophobicContact CD1-CG 4.2Å; L177-P203 HydrophobicContact CG-CG 4.42Å; A181-P203 HydrophobicContact CB-CB 3.87Å; A181-P203 WeakPolarHBondContact CB-O 3.48Å; I199-P203 HydrophobicContact CG2-CB 3.88Å; T200-P203 WeakPolarHBondContact O-CD 3.44Å; T200-P203 WeakPolarHBondContact OG1-CD 3.31Å; P203-I205 VanDerWaalsContact C-N 3.27Å; P203-I205 PolarHBondContact O-N 2.84Å; P203-E206 PolarHBondContact O-N 3.22Å |
| 204 | L | 98.1 | Very high | 97.6 | Very high | 28 Ų | 28 | 51 Ų | 51 | 15% | 0.147 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.9 | -32.4 | 179 | -177 | 59.6 | 0 | 0 | 0 | 112.3 | T196 I199 T200 K201 G202 E206 I207 V208 | T196-L204 HydrophobicContact CG2-CD1 4.42Å; I199-L204 HydrophobicContact CB-CB 4.46Å; I199-L204 HydrophobicContact CB-CD1 4.49Å; I199-L204 HydrophobicContact CG2-CB 4.01Å; T200-L204 WeakPolarHBondContact O-CB 3.4Å; T200-L204 PolarHBondContact O-N 3.08Å; K201-L204 PolarHBondContact O-N 3.22Å; G202-L204 VanDerWaalsContact C-N 3.28Å; G202-L204 PolarHBondContact O-N 3.5Å; L204-E206 VanDerWaalsContact C-N 3.34Å; L204-E206 PolarHBondContact O-N 2.87Å; L204-I207 PolarHBondContact O-N 3.4Å; L204-V208 HydrophobicContact CD1-CG2 4.38Å; L204-V208 HydrophobicContact CG-CG2 4.24Å; L204-V208 VanDerWaalsContact O-CG2 3.29Å; L204-V208 WeakPolarHBondContact O-CG2 3.35Å; L204-V208 PolarHBondContact O-N 3.39Å |
| 205 | I | 97.5 | Very high | 97.6 | Very high | 76 Ų | 76 | 55.5 Ų | 55.5 | 39% | 0.39 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -59.9 | -44.2 | 178.1 | -70.4 | 160.4 | 0 | 0 | 0 | 111 | K201 G202 P203 I207 V208 E209 | K201-I205 HydrophobicContact CG-CD1 4.45Å; K201-I205 WeakPolarHBondContact O-CG1 3.19Å; K201-I205 PolarHBondContact O-N 2.89Å; G202-I205 WeakPolarHBondContact O-CB 3.43Å; G202-I205 PolarHBondContact O-N 3.41Å; P203-I205 VanDerWaalsContact C-N 3.27Å; P203-I205 PolarHBondContact O-N 2.84Å; I205-I207 VanDerWaalsContact C-N 3.27Å; I205-I207 PolarHBondContact O-N 2.91Å; I205-V208 PolarHBondContact O-N 2.93Å; I205-V208 VanDerWaalsContact O-N 3.13Å; I205-E209 HydrophobicContact CG2-CG 4.34Å; I205-E209 WeakPolarHBondContact O-CG 3.26Å; I205-E209 PolarHBondContact O-N 2.86Å |
| 206 | E | 97.3 | Very high | 97.5 | Very high | 62 Ų | 62 | 56 Ų | 56 | 29% | 0.29 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59.4 | -40.3 | 178.4 | -57.3 | -65.6 | 160.8 | 0 | 0 | 111.7 | N178 A181 P203 L204 K210 | N178-E206 HydrophobicContact CB-CG 3.87Å; N178-E206 PolarHBondContact ND2-OE1 3.13Å; A181-E206 HydrophobicContact CB-CB 4.06Å; A181-E206 HydrophobicContact CB-CG 4.4Å; P203-E206 PolarHBondContact O-N 3.22Å; L204-E206 VanDerWaalsContact C-N 3.34Å; L204-E206 PolarHBondContact O-N 2.87Å; E206-K210 WeakPolarHBondContact O-CB 3.39Å; E206-K210 PolarHBondContact O-N 3.31Å |
| 207 | I | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -67.9 | -42.5 | 177.6 | -60.1 | 170 | 0 | 0 | 0 | 110.4 | I162 I165 A181 A185 I188 T196 I199 L204 I205 K210 A211 M218 | I162-I207 HydrophobicContact CB-CD1 4.48Å; I162-I207 HydrophobicContact CD1-CD1 3.95Å; I162-I207 HydrophobicContact CD1-CG1 4Å; I162-I207 HydrophobicContact CD1-CG2 3.83Å; I162-I207 HydrophobicContact CG2-CD1 4.05Å; I165-I207 HydrophobicContact CD1-CD1 4.28Å; I165-I207 HydrophobicContact CG1-CD1 4.25Å; A181-I207 HydrophobicContact CB-CG1 4.32Å; A185-I207 HydrophobicContact CB-CG1 4.26Å; I188-I207 HydrophobicContact CD1-CG2 3.94Å; T196-I207 HydrophobicContact CG2-CG2 3.93Å; I199-I207 HydrophobicContact CD1-CD1 3.48Å; I199-I207 VanDerWaalsContact CD1-CD1 3.48Å; I199-I207 HydrophobicContact CG2-CD1 4.4Å; L204-I207 PolarHBondContact O-N 3.4Å; I205-I207 VanDerWaalsContact C-N 3.27Å; I205-I207 PolarHBondContact O-N 2.91Å; I207-K210 PolarHBondContact O-N 3.42Å; I207-A211 WeakPolarHBondContact O-CB 3.43Å; I207-A211 PolarHBondContact O-N 3.07Å; I207-M218 HydrophobicContact CG2-CE 3.81Å |
| 208 | V | 98.3 | Very high | 97.5 | Very high | 52 Ų | 52 | 62.4 Ų | 62.4 | 32% | 0.315 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63 | -44.7 | 177.5 | 170.5 | 0 | 0 | 0 | 0 | 111.3 | L204 I205 A211 A212 M218 | L204-V208 HydrophobicContact CD1-CG2 4.38Å; L204-V208 HydrophobicContact CG-CG2 4.24Å; L204-V208 VanDerWaalsContact O-CG2 3.29Å; L204-V208 WeakPolarHBondContact O-CG2 3.35Å; L204-V208 PolarHBondContact O-N 3.39Å; I205-V208 PolarHBondContact O-N 2.93Å; I205-V208 VanDerWaalsContact O-N 3.13Å; V208-A211 PolarHBondContact O-N 3Å; V208-A212 WeakPolarHBondContact O-CB 3.26Å; V208-A212 PolarHBondContact O-N 2.86Å; V208-M218 HydrophobicContact CB-SD 4.12Å; V208-M218 HydrophobicContact CG1-SD 4.42Å; V208-M218 HydrophobicContact CG2-CE 3.91Å; V208-M218 HydrophobicContact CG2-SD 3.72Å |
| 209 | E | 98.1 | Very high | 97.7 | Very high | 110 Ų | 110 | 57.4 Ų | 57.4 | 51% | 0.514 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.1 | -44.3 | 177.2 | -72.4 | -175 | 178.7 | 0 | 0 | 111.4 | I205 A212 N213 | I205-E209 HydrophobicContact CG2-CG 4.34Å; I205-E209 WeakPolarHBondContact O-CG 3.26Å; I205-E209 PolarHBondContact O-N 2.86Å; E209-A212 PolarHBondContact O-N 3.36Å; E209-N213 VanDerWaalsContact O-CG 3.26Å; E209-N213 PolarHBondContact O-N 3.17Å; E209-N213 PolarHBondContact O-ND2 3.34Å |
| 210 | K | 98.3 | Very high | 97.7 | Very high | 59 Ų | 59 | 59 Ų | 59 | 26% | 0.257 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62 | -44.8 | 175 | -179.6 | 56.3 | 174.4 | 173 | 0 | 111.8 | A185 I188 E206 I207 A212 N213 E214 | A185-K210 HydrophobicContact CB-CB 3.91Å; A185-K210 HydrophobicContact CB-CG 3.87Å; A185-K210 WeakPolarHBondContact O-CG 3.27Å; I188-K210 HydrophobicContact CB-CG 4.2Å; I188-K210 HydrophobicContact CD1-CB 4.46Å; I188-K210 HydrophobicContact CD1-CG 4.17Å; E206-K210 WeakPolarHBondContact O-CB 3.39Å; E206-K210 PolarHBondContact O-N 3.31Å; I207-K210 PolarHBondContact O-N 3.42Å; K210-A212 PolarHBondContact O-N 2.95Å; K210-N213 PolarHBondContact O-N 3.28Å; K210-E214 HydrophobicContact CD-CG 4.11Å; K210-E214 IonicContact NZ-OE1 3.9Å; K210-E214 PolarHBondContact NZ-OE1 3.5Å; K210-E214 WeakPolarHBondContact O-CG 3.32Å; K210-E214 PolarHBondContact O-N 2.91Å |
| 211 | A | 98.4 | Very high | 97.9 | Very high | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.008 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.9 | -42.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | I188 V194 I207 V208 E214 T215 A216 M218 | I188-A211 HydrophobicContact CD1-CB 4.38Å; V194-A211 HydrophobicContact CG1-CB 4.19Å; I207-A211 WeakPolarHBondContact O-CB 3.43Å; I207-A211 PolarHBondContact O-N 3.07Å; V208-A211 PolarHBondContact O-N 3Å; A211-E214 CarbonylContact O-C 3.29Å; A211-E214 PolarHBondContact O-N 3.33Å; A211-T215 PolarHBondContact O-N 2.92Å; A211-A216 HydrophobicContact CB-CB 4.15Å; A211-A216 PolarHBondContact O-N 3.05Å; A211-M218 HydrophobicContact CB-CE 4.34Å; A211-M218 HydrophobicContact CB-CG 3.54Å; A211-M218 HydrophobicContact CB-SD 3.52Å; A211-M218 VanDerWaalsContact CB-SD 3.52Å |
| 212 | A | 98.4 | Very high | 98 | Very high | 70 Ų | 70 | 51 Ų | 51 | 58% | 0.579 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -61.3 | -45.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | V208 E209 K210 E214 T215 | V208-A212 WeakPolarHBondContact O-CB 3.26Å; V208-A212 PolarHBondContact O-N 2.86Å; E209-A212 PolarHBondContact O-N 3.36Å; K210-A212 PolarHBondContact O-N 2.95Å; A212-E214 VanDerWaalsContact C-N 3.27Å; A212-E214 PolarHBondContact O-N 3.18Å; A212-T215 PolarHBondContact O-N 3.3Å |
| 213 | N | 98.3 | Very high | 98.1 | Very high | 130 Ų | 130 | 55 Ų | 55 | 70% | 0.695 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -61.3 | -35.5 | 177.3 | -72.7 | -30.4 | 0 | 0 | 0 | 112.6 | E209 K210 T215 | E209-N213 VanDerWaalsContact O-CG 3.26Å; E209-N213 PolarHBondContact O-N 3.17Å; E209-N213 PolarHBondContact O-ND2 3.34Å; K210-N213 PolarHBondContact O-N 3.28Å; N213-T215 VanDerWaalsContact C-N 3.35Å |
| 214 | E | 98.3 | Very high | 98.2 | Very high | 48 Ų | 48 | 56.8 Ų | 56.8 | 22% | 0.224 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -1 | 176.9 | -62.5 | -60.5 | 159.7 | 0 | 0 | 113 | I188 K190 N191 K210 A211 A212 A216 | I188-E214 HydrophobicContact CG2-CB 4.04Å; I188-E214 HydrophobicContact CG2-CG 4.17Å; K190-E214 CarbonylContact C-O 3.52Å; K190-E214 WeakPolarHBondContact CA-O 3.43Å; K190-E214 PolarHBondContact N-OE2 3.2Å; N191-E214 PolarHBondContact N-O 3.09Å; K210-E214 HydrophobicContact CD-CG 4.11Å; K210-E214 IonicContact NZ-OE1 3.9Å; K210-E214 PolarHBondContact NZ-OE1 3.5Å; K210-E214 WeakPolarHBondContact O-CG 3.32Å; K210-E214 PolarHBondContact O-N 2.91Å; A211-E214 CarbonylContact O-C 3.29Å; A211-E214 PolarHBondContact O-N 3.33Å; A212-E214 VanDerWaalsContact C-N 3.27Å; A212-E214 PolarHBondContact O-N 3.18Å; E214-A216 HydrophobicContact CB-CB 4.4Å; E214-A216 PolarHBondContact O-N 3.38Å |
| 215 | T | 98.3 | Very high | 98.2 | Very high | 94 Ų | 94 | 55.7 Ų | 55.7 | 58% | 0.577 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.6 | 33.1 | -172.8 | -39.8 | 0 | 0 | 0 | 0 | 112 | A211 A212 N213 | A211-T215 PolarHBondContact O-N 2.92Å; A212-T215 PolarHBondContact O-N 3.3Å; N213-T215 VanDerWaalsContact C-N 3.35Å |
| 216 | A | 98.4 | Very high | 98.2 | Very high | 11 Ų | 11 | 55.8 Ų | 55.8 | 9% | 0.091 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -82.9 | 127.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | I188 V192 A211 E214 M218 | I188-A216 HydrophobicContact CG2-CB 3.62Å; V192-A216 WeakPolarHBondContact O-CB 3.46Å; A211-A216 HydrophobicContact CB-CB 4.15Å; A211-A216 PolarHBondContact O-N 3.05Å; E214-A216 HydrophobicContact CB-CB 4.4Å; E214-A216 PolarHBondContact O-N 3.38Å; A216-M218 PolarHBondContact O-N 3.35Å |
| 217 | K | 98.4 | Very high | 98.3 | Very high | 112 Ų | 112 | 53.3 Ų | 53.3 | 49% | 0.487 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -70.1 | 129 | 172.8 | -171.7 | 178.6 | 177.7 | -167.4 | 0 | 109.2 | P193 V194 Y219 | P193-K217 WeakPolarHBondContact CA-O 3.34Å; V194-K217 PolarHBondContact N-O 3.17Å; K217-Y219 HydrophobicContact CB-CE2 4.31Å; K217-Y219 HydrophobicContact CD-CE2 3.75Å; K217-Y219 WeakPolarHBondContact CD-OH 3.35Å; K217-Y219 VanDerWaalsContact CE-OH 3.24Å; K217-Y219 WeakPolarHBondContact CE-OH 3.4Å; K217-Y219 HydrophobicContact CG-CD2 4.48Å; K217-Y219 HydrophobicContact CG-CE2 3.77Å; K217-Y219 PolarHBondContact NZ-OH 3.19Å |
| 218 | M | 98.4 | Very high | 98.2 | Very high | 26 Ų | 26 | 56.1 Ų | 56.1 | 13% | 0.128 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 145.5 | -179.2 | -63.3 | -165.1 | 73.9 | 0 | 0 | 112.2 | V194 T196 I207 V208 A211 A216 R220 | V194-M218 HydrophobicContact CG1-CB 4.35Å; V194-M218 HydrophobicContact CG1-CE 4.25Å; V194-M218 HydrophobicContact CG1-CG 3.73Å; V194-M218 WeakPolarHBondContact O-CA 3.33Å; T196-M218 HydrophobicContact CG2-CE 3.88Å; I207-M218 HydrophobicContact CG2-CE 3.81Å; V208-M218 HydrophobicContact CB-SD 4.12Å; V208-M218 HydrophobicContact CG1-SD 4.42Å; V208-M218 HydrophobicContact CG2-CE 3.91Å; V208-M218 HydrophobicContact CG2-SD 3.72Å; A211-M218 HydrophobicContact CB-CE 4.34Å; A211-M218 HydrophobicContact CB-CG 3.54Å; A211-M218 HydrophobicContact CB-SD 3.52Å; A211-M218 VanDerWaalsContact CB-SD 3.52Å; A216-M218 PolarHBondContact O-N 3.35Å; M218-R220 HydrophobicContact CB-CG 4.34Å; M218-R220 HydrophobicContact CE-CG 3.98Å |
| 219 | Y | 98.7 | Very high | 98.1 | Very high | 11 Ų | 11 | 56.2 Ų | 56.2 | 4% | 0.043 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 100.4 | 171.3 | -64.4 | -99.7 | 0 | 0 | 0 | 108.5 | P193 V194 V195 T196 K217 E224 E270 L274 | P193-Y219 HydrophobicContact CB-CE2 4.26Å; V194-Y219 PolarHBondContact O-N 3.33Å; V195-Y219 CarbonylContact C-O 3.5Å; V195-Y219 WeakPolarHBondContact CA-O 3.06Å; T196-Y219 PolarHBondContact N-O 2.87Å; K217-Y219 HydrophobicContact CB-CE2 4.31Å; K217-Y219 HydrophobicContact CD-CE2 3.75Å; K217-Y219 WeakPolarHBondContact CD-OH 3.35Å; K217-Y219 VanDerWaalsContact CE-OH 3.24Å; K217-Y219 WeakPolarHBondContact CE-OH 3.4Å; K217-Y219 HydrophobicContact CG-CD2 4.48Å; K217-Y219 HydrophobicContact CG-CE2 3.77Å; K217-Y219 PolarHBondContact NZ-OH 3.19Å; Y219-E224 HydrophobicContact CD1-CB 4.02Å; Y219-E224 HydrophobicContact CD1-CG 4.36Å; Y219-E224 HydrophobicContact CG-CB 4.48Å; Y219-E270 WeakPolarHBondContact CD1-OE1 3.43Å; Y219-L274 HydrophobicContact CD1-CD2 4.29Å; Y219-L274 HydrophobicContact CD2-CD1 3.72Å; Y219-L274 HydrophobicContact CD2-CD2 4.37Å; Y219-L274 HydrophobicContact CE1-CD2 3.61Å; Y219-L274 HydrophobicContact CE2-CD1 3.73Å; Y219-L274 HydrophobicContact CE2-CD2 3.74Å; Y219-L274 HydrophobicContact CE2-CG 4.4Å; Y219-L274 HydrophobicContact CG-CD1 4.17Å; Y219-L274 WeakPolarHBondContact OH-CD2 3.25Å |
| 220 | R | 98.5 | Very high | 97.9 | Very high | 54 Ų | 54 | 54.8 Ų | 54.8 | 20% | 0.204 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 135 | -169.6 | -62.1 | 160.3 | -71.4 | 166.8 | -1.2 | 110.8 | T196 M218 G222 E223 E224 | T196-R220 WeakPolarHBondContact OG1-CA 3.47Å; T196-R220 WeakPolarHBondContact OG1-CG 3.42Å; M218-R220 HydrophobicContact CB-CG 4.34Å; M218-R220 HydrophobicContact CE-CG 3.98Å; R220-G222 PolarHBondContact O-N 2.86Å; R220-E223 HydrophobicContact CB-CB 4.23Å; R220-E223 IonicContact CZ-OE1 2.86Å; R220-E223 IonicContact CZ-OE2 3.75Å; R220-E223 IonicContact NE-OE1 3.02Å; R220-E223 IonicContact NE-OE2 2.83Å; R220-E223 IonicContact NH1-OE1 3.4Å; R220-E223 PolarHBondContact NH1-OE1 2.94Å; R220-E223 IonicContact NH1-OE2 3.65Å; R220-E223 PolarHBondContact NH1-OE2 3.4Å; R220-E223 IonicContact NH2-OE1 3.49Å; R220-E223 IonicContact NH2-OE2 2.64Å; R220-E223 PolarHBondContact NH2-OE2 2.86Å; R220-E223 PolarHBondContact O-N 3.29Å; R220-E224 WeakPolarHBondContact CA-OE2 3.4Å; R220-E224 VanDerWaalsContact CB-OE2 3.29Å; R220-E224 WeakPolarHBondContact CB-OE2 3.47Å; R220-E224 IonicContact CZ-OE1 3.35Å; R220-E224 IonicContact CZ-OE2 2.7Å; R220-E224 PolarHBondContact N-OE2 3.08Å; R220-E224 IonicContact NE-OE1 2.9Å; R220-E224 IonicContact NE-OE2 3.69Å; R220-E224 PolarHBondContact NE-OE2 2.83Å; R220-E224 IonicContact NH2-OE1 2.93Å; R220-E224 PolarHBondContact NH2-OE1 3.17Å; R220-E224 IonicContact NH2-OE2 3.97Å; R220-E224 PolarHBondContact O-N 3.1Å |
| 221 | Y | 98.3 | Very high | 97.6 | Very high | 45 Ų | 45 | 59.4 Ų | 59.4 | 18% | 0.176 | 31% | 0.305 | C | S | . | . | B | Isolated β-bridge | trans | -53.5 | 126.1 | 171.5 | -171.4 | -75.3 | 0 | 0 | 0 | 111.3 | T196 G197 K198 E223 Y225 V227 E263 | T196-Y221 WeakPolarHBondContact O-CB 3.36Å; T196-Y221 PolarHBondContact O-N 3.31Å; G197-Y221 WeakPolarHBondContact O-CB 3.27Å; K198-Y221 HydrophobicContact CB-CD1 4.03Å; K198-Y221 HydrophobicContact CB-CD2 4.46Å; K198-Y221 HydrophobicContact CB-CE1 4.37Å; K198-Y221 HydrophobicContact CB-CG 4.11Å; K198-Y221 HydrophobicContact CD-CD1 4.45Å; K198-Y221 HydrophobicContact CD-CE1 4.12Å; K198-Y221 HydrophobicContact CG-CD1 4.1Å; K198-Y221 HydrophobicContact CG-CE1 4.27Å; Y221-E223 VanDerWaalsContact C-N 3.32Å; Y221-Y225 CarbonylContact C-O 3.59Å; Y221-Y225 AromaticContact CD2-CE2 3.83Å; Y221-Y225 HydrophobicContact CD2-CE2 3.83Å; Y221-V227 HydrophobicContact CE2-CB 4.04Å; Y221-V227 HydrophobicContact CE2-CG2 4.31Å; Y221-V227 PolarHBondContact OH-O 3.41Å; Y221-V227 VanDerWaalsContact OH-O 3.08Å; Y221-E263 HydrophobicContact CE2-CB 4.23Å; Y221-E263 HydrophobicContact CE2-CG 4.1Å |
| 222 | G | 97.4 | Very high | 97.1 | Very high | 47 Ų | 47 | 61.9 Ų | 61.9 | 49% | 0.485 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.2 | -1.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | R220 Y225 | R220-G222 PolarHBondContact O-N 2.86Å; G222-Y225 PolarHBondContact N-O 3.43Å |
| 223 | E | 97.3 | Very high | 96.7 | Very high | 113 Ų | 113 | 59.8 Ų | 59.8 | 53% | 0.528 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.3 | -68.1 | 176.3 | -63.6 | -168.6 | -129.1 | 0 | 0 | 111.4 | R220 Y221 | R220-E223 HydrophobicContact CB-CB 4.23Å; R220-E223 IonicContact CZ-OE1 2.86Å; R220-E223 IonicContact CZ-OE2 3.75Å; R220-E223 IonicContact NE-OE1 3.02Å; R220-E223 IonicContact NE-OE2 2.83Å; R220-E223 IonicContact NH1-OE1 3.4Å; R220-E223 PolarHBondContact NH1-OE1 2.94Å; R220-E223 IonicContact NH1-OE2 3.65Å; R220-E223 PolarHBondContact NH1-OE2 3.4Å; R220-E223 IonicContact NH2-OE1 3.49Å; R220-E223 IonicContact NH2-OE2 2.64Å; R220-E223 PolarHBondContact NH2-OE2 2.86Å; R220-E223 PolarHBondContact O-N 3.29Å; Y221-E223 VanDerWaalsContact C-N 3.32Å |
| 224 | E | 98.5 | Very high | 96 | Very high | 44 Ų | 44 | 59.1 Ų | 59.1 | 21% | 0.206 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | -27.9 | -179.6 | -74.5 | 78.2 | -154.2 | 0 | 0 | 112.9 | Y219 R220 | Y219-E224 HydrophobicContact CD1-CB 4.02Å; Y219-E224 HydrophobicContact CD1-CG 4.36Å; Y219-E224 HydrophobicContact CG-CB 4.48Å; R220-E224 WeakPolarHBondContact CA-OE2 3.4Å; R220-E224 VanDerWaalsContact CB-OE2 3.29Å; R220-E224 WeakPolarHBondContact CB-OE2 3.47Å; R220-E224 IonicContact CZ-OE1 3.35Å; R220-E224 IonicContact CZ-OE2 2.7Å; R220-E224 PolarHBondContact N-OE2 3.08Å; R220-E224 IonicContact NE-OE1 2.9Å; R220-E224 IonicContact NE-OE2 3.69Å; R220-E224 PolarHBondContact NE-OE2 2.83Å; R220-E224 IonicContact NH2-OE1 2.93Å; R220-E224 PolarHBondContact NH2-OE1 3.17Å; R220-E224 IonicContact NH2-OE2 3.97Å; R220-E224 PolarHBondContact O-N 3.1Å |
| 225 | Y | 98.7 | Very high | 95.4 | Very high | 4 Ų | 4 | 61.7 Ų | 61.7 | 2% | 0.016 | 32% | 0.322 | C | S | . | . | B | Isolated β-bridge | trans | -146.6 | 159.6 | 172.8 | 78.1 | -81.8 | 0 | 0 | 0 | 110.2 | V195 T196 Y221 G222 F242 T243 V267 E270 | V195-Y225 HydrophobicContact CG1-CE1 3.71Å; T196-Y225 PolarHBondContact O-OH 3.08Å; Y221-Y225 CarbonylContact C-O 3.59Å; Y221-Y225 AromaticContact CD2-CE2 3.83Å; Y221-Y225 HydrophobicContact CD2-CE2 3.83Å; G222-Y225 PolarHBondContact N-O 3.43Å; Y225-F242 HydrophobicContact CD2-CD2 4.39Å; Y225-F242 AromaticContact CD2-CE2 3.58Å; Y225-F242 HydrophobicContact CD2-CE2 3.58Å; Y225-F242 HydrophobicContact CD2-CZ 4.28Å; Y225-F242 HydrophobicContact CE2-CE2 4.35Å; Y225-F242 HydrophobicContact CG-CE2 4.26Å; Y225-T243 CarbonylContact C-O 3.54Å; Y225-T243 VanDerWaalsContact CA-O 3.22Å; Y225-T243 WeakPolarHBondContact CA-O 2.85Å; Y225-V267 VanDerWaalsContact OH-CG2 3.26Å; Y225-V267 WeakPolarHBondContact OH-CG2 3.45Å; Y225-E270 WeakPolarHBondContact CB-OE2 3.37Å; Y225-E270 HydrophobicContact CD1-CB 4.2Å; Y225-E270 HydrophobicContact CD1-CG 3.8Å; Y225-E270 HydrophobicContact CD2-CB 4.38Å; Y225-E270 HydrophobicContact CE1-CB 4.37Å; Y225-E270 HydrophobicContact CE1-CG 4.18Å; Y225-E270 HydrophobicContact CG-CB 4.19Å; Y225-E270 HydrophobicContact CG-CG 4.13Å |
| 226 | Q | 98.2 | Very high | 94.9 | Very high | 79 Ų | 79 | 59.2 Ų | 59.2 | 37% | 0.369 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 155.5 | 176.9 | 65 | 177.1 | 40.8 | 0 | 0 | 112.8 | D228 T243 | Q226-D228 PolarHBondContact NE2-OD2 2.96Å; Q226-T243 PolarHBondContact N-O 3.3Å; Q226-T243 PolarHBondContact O-N 3.24Å |
| 227 | V | 98 | Very high | 94.6 | Very high | 9 Ų | 9 | 58.7 Ų | 58.7 | 6% | 0.055 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 127.1 | 171.6 | 168.8 | 0 | 0 | 0 | 0 | 109.9 | Y221 F240 N241 F242 V262 | Y221-V227 HydrophobicContact CE2-CB 4.04Å; Y221-V227 HydrophobicContact CE2-CG2 4.31Å; Y221-V227 PolarHBondContact OH-O 3.41Å; Y221-V227 VanDerWaalsContact OH-O 3.08Å; V227-F240 HydrophobicContact CG1-CB 4.03Å; V227-F240 HydrophobicContact CG1-CD2 3.58Å; V227-F240 HydrophobicContact CG1-CE2 4.38Å; V227-F240 HydrophobicContact CG1-CG 4.1Å; V227-F240 HydrophobicContact CG2-CD2 4.29Å; V227-F240 HydrophobicContact CG2-CE2 4.4Å; V227-N241 WeakPolarHBondContact CA-O 3.24Å; V227-F242 HydrophobicContact CG2-CD2 4.05Å; V227-V262 HydrophobicContact CG1-CB 3.97Å; V227-V262 HydrophobicContact CG1-CG2 3.59Å |
| 228 | D | 96.9 | Very high | 94.4 | Very high | 59 Ų | 59 | 53.4 Ų | 53.4 | 32% | 0.316 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 100.2 | 174 | -60.3 | -48.5 | 0 | 0 | 0 | 109.1 | Q226 L230 F240 N241 | Q226-D228 PolarHBondContact NE2-OD2 2.96Å; D228-L230 PolarHBondContact O-N 3.16Å; D228-F240 CarbonylContact O-C 3.55Å; D228-F240 VanDerWaalsContact O-CA 3.27Å; D228-F240 WeakPolarHBondContact O-CA 3.13Å; D228-F240 WeakPolarHBondContact O-CB 3.3Å; D228-N241 HydrophobicContact CB-CB 4.29Å; D228-N241 PolarHBondContact N-O 3.44Å; D228-N241 PolarHBondContact O-N 3Å |
| 229 | Y | 95.5 | Very high | 94.3 | Very high | 54 Ų | 54 | 53.2 Ų | 53.2 | 21% | 0.212 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 132.2 | 172.1 | -179.9 | -94.3 | 0 | 0 | 0 | 110.7 | R231 P232 E238 R259 V262 | Y229-R231 VanDerWaalsContact OH-C 3.25Å; Y229-P232 WeakPolarHBondContact OH-CD 3.5Å; Y229-P232 WeakPolarHBondContact OH-CG 3.34Å; Y229-P232 VanDerWaalsContact OH-N 3.11Å; Y229-E238 HydrophobicContact CE2-CB 4.19Å; Y229-E238 HydrophobicContact CE2-CG 4.41Å; Y229-E238 WeakPolarHBondContact CE2-OE2 3.47Å; Y229-E238 VanDerWaalsContact CZ-OE2 3.28Å; Y229-E238 PolarHBondContact OH-OE2 2.88Å; Y229-R259 HydrophobicContact CD1-CG 4.39Å; Y229-R259 HydrophobicContact CD2-CG 3.93Å; Y229-R259 HydrophobicContact CE1-CG 4.43Å; Y229-R259 HydrophobicContact CE2-CG 3.96Å; Y229-R259 HydrophobicContact CG-CG 4.13Å; Y229-V262 HydrophobicContact CD2-CG1 4Å; Y229-V262 HydrophobicContact CD2-CG2 3.87Å; Y229-V262 HydrophobicContact CE2-CG1 4.4Å |
| 230 | L | 95 | Very high | 94.2 | Very high | 81 Ų | 81 | 52.7 Ų | 52.7 | 42% | 0.424 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | -66.5 | 179.3 | -62.2 | 178.1 | 0 | 0 | 0 | 111.4 | D228 L239 | D228-L230 PolarHBondContact O-N 3.16Å; L230-L239 HydrophobicContact CB-CB 4.32Å; L230-L239 WeakPolarHBondContact CB-O 3.09Å; L230-L239 PolarHBondContact N-O 2.93Å |
| 231 | R | 90.7 | Very high | 94.2 | Very high | 155 Ų | 155 | 51 Ų | 51 | 59% | 0.585 | 27% | 0.267 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -171.6 | 166.8 | -175 | 56.7 | 173.8 | 179.9 | -112.6 | 0.5 | 110.6 | Y229 L239 | Y229-R231 VanDerWaalsContact OH-C 3.25Å; R231-L239 HydrophobicContact CG-CD1 4.27Å; R231-L239 PolarHBondContact N-O 2.97Å; R231-L239 WeakPolarHBondContact O-CB 3.28Å; R231-L239 PolarHBondContact O-N 2.89Å |
| 232 | P | 88.7 | Confident | 94.2 | Very high | 53 Ų | 53 | 48.8 Ų | 48.8 | 34% | 0.344 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60 | 146.3 | 164.5 | -20.5 | 34.8 | 0 | 0 | 0 | 110.1 | Y229 E238 E331 | Y229-P232 WeakPolarHBondContact OH-CD 3.5Å; Y229-P232 WeakPolarHBondContact OH-CG 3.34Å; Y229-P232 VanDerWaalsContact OH-N 3.11Å; P232-E238 WeakPolarHBondContact CA-OE2 3.25Å; P232-E331 WeakPolarHBondContact CB-OE2 3.25Å; P232-E331 WeakPolarHBondContact CG-OE2 3.46Å |
| 233 | D | 89.7 | Confident | 94.3 | Very high | 27 Ų | 27 | 48.3 Ų | 48.3 | 14% | 0.144 | 25% | 0.247 | C | C | . | . | trans | -72.3 | 139.5 | 171.2 | -177.3 | -86.7 | 0 | 0 | 0 | 110.1 | T235 W236 G237 L239 K253 | D233-T235 PolarHBondContact O-N 3.27Å; D233-T235 VanDerWaalsContact O-N 3.1Å; D233-T235 WeakPolarHBondContact OD1-CA 3.33Å; D233-T235 WeakPolarHBondContact OD1-CB 3.4Å; D233-T235 PolarHBondContact OD1-N 2.96Å; D233-T235 PolarHBondContact OD1-OG1 2.89Å; D233-W236 WeakPolarHBondContact CB-O 3.47Å; D233-W236 PolarHBondContact OD1-N 3.48Å; D233-G237 WeakPolarHBondContact CB-O 3.38Å; D233-G237 PolarHBondContact N-O 3.45Å; D233-L239 HydrophobicContact CB-CD1 4.46Å; D233-L239 HydrophobicContact CB-CG 4.16Å; D233-K253 HydrophobicContact CB-CD 4.46Å; D233-K253 IonicContact OD1-NZ 2.57Å; D233-K253 PolarHBondContact OD1-NZ 2.87Å; D233-K253 VanDerWaalsContact OD2-CD 3.31Å; D233-K253 WeakPolarHBondContact OD2-CD 3.41Å; D233-K253 VanDerWaalsContact OD2-CE 3.26Å; D233-K253 WeakPolarHBondContact OD2-CE 3.29Å; D233-K253 IonicContact OD2-NZ 2.66Å; D233-K253 PolarHBondContact OD2-NZ 3.42Å | ||
| 234 | P | 84.6 | Confident | 94.3 | Very high | 116 Ų | 116 | 43.8 Ų | 43.8 | 75% | 0.753 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -60.7 | -20.3 | -179.3 | -24.9 | 34.6 | 0 | 0 | 0 | 115.5 | ||
| 235 | T | 85.9 | Confident | 94.2 | Very high | 102 Ų | 102 | 48.2 Ų | 48.2 | 63% | 0.626 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -102.9 | -55.5 | -179.1 | 59.8 | 0 | 0 | 0 | 0 | 111.9 | D233 K253 K303 | D233-T235 PolarHBondContact O-N 3.27Å; D233-T235 VanDerWaalsContact O-N 3.1Å; D233-T235 WeakPolarHBondContact OD1-CA 3.33Å; D233-T235 WeakPolarHBondContact OD1-CB 3.4Å; D233-T235 PolarHBondContact OD1-N 2.96Å; D233-T235 PolarHBondContact OD1-OG1 2.89Å; T235-K253 PolarHBondContact OG1-NZ 2.84Å; T235-K253 VanDerWaalsContact OG1-NZ 3.13Å; T235-K303 PolarHBondContact O-NZ 3.33Å |
| 236 | W | 88 | Confident | 94 | Very high | 41 Ų | 41 | 51.1 Ų | 51.1 | 16% | 0.155 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -175.4 | 139 | 177.4 | -171.3 | -101.6 | 0 | 0 | 0 | 109.8 | D233 K253 P255 L257 M301 K303 L309 V311 F332 | D233-W236 WeakPolarHBondContact CB-O 3.47Å; D233-W236 PolarHBondContact OD1-N 3.48Å; W236-K253 WeakPolarHBondContact O-CE 3.48Å; W236-K253 PolarHBondContact O-NZ 3.14Å; W236-K253 VanDerWaalsContact O-NZ 3.14Å; W236-P255 VanDerWaalsContact CD1-O 3.29Å; W236-P255 PolarHBondContact NE1-O 3.37Å; W236-L257 HydrophobicContact CE3-CD1 4.44Å; W236-L257 HydrophobicContact CH2-CD1 3.29Å; W236-L257 HydrophobicContact CH2-CG 4.07Å; W236-L257 HydrophobicContact CZ2-CD1 3.48Å; W236-L257 VanDerWaalsContact CZ2-CD1 3.48Å; W236-L257 HydrophobicContact CZ2-CD2 4.43Å; W236-L257 HydrophobicContact CZ2-CG 3.71Å; W236-L257 HydrophobicContact CZ3-CD1 3.82Å; W236-M301 VanDerWaalsContact CZ2-O 3.3Å; W236-M301 WeakPolarHBondContact CZ2-O 3.28Å; W236-K303 HydrophobicContact CD2-CB 3.77Å; W236-K303 HydrophobicContact CD2-CD 3.95Å; W236-K303 HydrophobicContact CD2-CG 4.48Å; W236-K303 HydrophobicContact CE3-CB 3.89Å; W236-K303 HydrophobicContact CE3-CD 3.54Å; W236-K303 HydrophobicContact CE3-CG 4.26Å; W236-K303 HydrophobicContact CH2-CB 3.53Å; W236-K303 HydrophobicContact CH2-CD 4.47Å; W236-K303 HydrophobicContact CH2-CG 4.36Å; W236-K303 HydrophobicContact CZ2-CB 3.4Å; W236-K303 VanDerWaalsContact CZ2-CB 3.4Å; W236-K303 HydrophobicContact CZ3-CB 3.77Å; W236-K303 HydrophobicContact CZ3-CD 3.82Å; W236-K303 HydrophobicContact CZ3-CG 4.19Å; W236-L309 HydrophobicContact CZ3-CD1 4.33Å; W236-V311 HydrophobicContact CH2-CG1 4.37Å; W236-V311 HydrophobicContact CH2-CG2 3.82Å; W236-V311 HydrophobicContact CZ3-CG2 4.28Å; W236-F332 HydrophobicContact CH2-CZ 4.09Å; W236-F332 HydrophobicContact CZ3-CE1 4.34Å; W236-F332 AromaticContact CZ3-CZ 3.97Å; W236-F332 HydrophobicContact CZ3-CZ 3.97Å |
| 237 | G | 91.4 | Very high | 93.9 | Very high | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.01 | 27% | 0.269 | C | S | . | . | S | Bend | trans | 104.4 | -169.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | D233 V254 | D233-G237 WeakPolarHBondContact CB-O 3.38Å; D233-G237 PolarHBondContact N-O 3.45Å; G237-V254 CarbonylContact C-O 3.59Å; G237-V254 WeakPolarHBondContact CA-O 3.36Å |
| 238 | E | 93.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 139.2 | -174.2 | -58 | -75.2 | -163.3 | 0 | 0 | 110.7 | Y229 P232 K253 V254 G258 V262 | Y229-E238 HydrophobicContact CE2-CB 4.19Å; Y229-E238 HydrophobicContact CE2-CG 4.41Å; Y229-E238 WeakPolarHBondContact CE2-OE2 3.47Å; Y229-E238 VanDerWaalsContact CZ-OE2 3.28Å; Y229-E238 PolarHBondContact OH-OE2 2.88Å; P232-E238 WeakPolarHBondContact CA-OE2 3.25Å; E238-K253 WeakPolarHBondContact O-CA 3.35Å; E238-V254 HydrophobicContact CB-CG2 3.9Å; E238-V254 PolarHBondContact N-O 3.12Å; E238-V254 PolarHBondContact O-N 3.14Å; E238-G258 WeakPolarHBondContact OE1-CA 3.47Å; E238-G258 PolarHBondContact OE1-N 3.33Å; E238-V262 HydrophobicContact CB-CG1 3.58Å; E238-V262 HydrophobicContact CG-CG1 4.35Å |
| 239 | L | 96.4 | Very high | 93.9 | Very high | 23 Ų | 23 | 51.8 Ų | 51.8 | 12% | 0.12 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 136.2 | 176.6 | -64.2 | 171.7 | 0 | 0 | 0 | 111.2 | L230 R231 D233 L252 K253 | L230-L239 HydrophobicContact CB-CB 4.32Å; L230-L239 WeakPolarHBondContact CB-O 3.09Å; L230-L239 PolarHBondContact N-O 2.93Å; R231-L239 HydrophobicContact CG-CD1 4.27Å; R231-L239 PolarHBondContact N-O 2.97Å; R231-L239 WeakPolarHBondContact O-CB 3.28Å; R231-L239 PolarHBondContact O-N 2.89Å; D233-L239 HydrophobicContact CB-CD1 4.46Å; D233-L239 HydrophobicContact CB-CG 4.16Å; L239-L252 WeakPolarHBondContact CA-O 3.4Å; L239-K253 HydrophobicContact CD2-CB 3.74Å; L239-K253 HydrophobicContact CD2-CD 4.31Å; L239-K253 HydrophobicContact CD2-CG 3.97Å |
| 240 | F | 98.1 | Very high | 94 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 167.5 | 179.8 | 69.3 | -75 | 0 | 0 | 0 | 112.4 | V227 D228 F242 S251 L252 V254 V262 A265 I269 L292 | V227-F240 HydrophobicContact CG1-CB 4.03Å; V227-F240 HydrophobicContact CG1-CD2 3.58Å; V227-F240 HydrophobicContact CG1-CE2 4.38Å; V227-F240 HydrophobicContact CG1-CG 4.1Å; V227-F240 HydrophobicContact CG2-CD2 4.29Å; V227-F240 HydrophobicContact CG2-CE2 4.4Å; D228-F240 CarbonylContact O-C 3.55Å; D228-F240 VanDerWaalsContact O-CA 3.27Å; D228-F240 WeakPolarHBondContact O-CA 3.13Å; D228-F240 WeakPolarHBondContact O-CB 3.3Å; F240-F242 HydrophobicContact CE2-CB 4.27Å; F240-S251 PolarHBondContact O-N 3.03Å; F240-L252 HydrophobicContact CD1-CB 4.03Å; F240-L252 WeakPolarHBondContact CD1-O 3.49Å; F240-L252 HydrophobicContact CD2-CB 4.34Å; F240-L252 HydrophobicContact CD2-CD1 4.47Å; F240-L252 HydrophobicContact CE1-CB 3.61Å; F240-L252 HydrophobicContact CE2-CB 3.99Å; F240-L252 HydrophobicContact CE2-CD1 3.73Å; F240-L252 HydrophobicContact CE2-CG 4.49Å; F240-L252 HydrophobicContact CG-CB 4.38Å; F240-L252 HydrophobicContact CZ-CB 3.61Å; F240-L252 HydrophobicContact CZ-CD1 3.85Å; F240-L252 HydrophobicContact CZ-CG 4.4Å; F240-L252 PolarHBondContact N-O 2.85Å; F240-L252 PolarHBondContact O-N 3.13Å; F240-V254 HydrophobicContact CE1-CG1 3.83Å; F240-V254 HydrophobicContact CE1-CG2 4.26Å; F240-V254 HydrophobicContact CZ-CG1 4.35Å; F240-V262 HydrophobicContact CB-CB 4.02Å; F240-V262 HydrophobicContact CB-CG1 4.14Å; F240-V262 HydrophobicContact CB-CG2 4.35Å; F240-V262 HydrophobicContact CD1-CB 3.93Å; F240-V262 HydrophobicContact CD1-CG1 3.82Å; F240-V262 HydrophobicContact CD2-CB 4.37Å; F240-V262 HydrophobicContact CG-CB 3.86Å; F240-V262 HydrophobicContact CG-CG1 4.13Å; F240-A265 HydrophobicContact CE1-CB 4.42Å; F240-A265 HydrophobicContact CZ-CB 3.86Å; F240-I269 HydrophobicContact CE2-CD1 3.94Å; F240-I269 HydrophobicContact CZ-CD1 4.04Å; F240-L292 HydrophobicContact CE1-CD1 4.49Å; F240-L292 HydrophobicContact CZ-CD1 4.02Å |
| 241 | N | 98.4 | Very high | 93.9 | Very high | 17 Ų | 17 | 52.4 Ų | 52.4 | 9% | 0.091 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 150.5 | 163.8 | -54.6 | -49.7 | 0 | 0 | 0 | 109.9 | V227 D228 L249 T250 S251 | V227-N241 WeakPolarHBondContact CA-O 3.24Å; D228-N241 HydrophobicContact CB-CB 4.29Å; D228-N241 PolarHBondContact N-O 3.44Å; D228-N241 PolarHBondContact O-N 3Å; N241-L249 WeakPolarHBondContact CA-O 3.19Å; N241-T250 VanDerWaalsContact OD1-CA 3.24Å; N241-T250 WeakPolarHBondContact OD1-CA 3.42Å; N241-S251 PolarHBondContact OD1-N 3.4Å |
| 242 | F | 98.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 138.5 | 172.9 | 173.9 | -88.9 | 0 | 0 | 0 | 109.2 | Y225 V227 F240 D244 K248 L249 L252 G266 I269 E270 | Y225-F242 HydrophobicContact CD2-CD2 4.39Å; Y225-F242 AromaticContact CD2-CE2 3.58Å; Y225-F242 HydrophobicContact CD2-CE2 3.58Å; Y225-F242 HydrophobicContact CD2-CZ 4.28Å; Y225-F242 HydrophobicContact CE2-CE2 4.35Å; Y225-F242 HydrophobicContact CG-CE2 4.26Å; V227-F242 HydrophobicContact CG2-CD2 4.05Å; F240-F242 HydrophobicContact CE2-CB 4.27Å; F242-D244 HydrophobicContact CE1-CB 3.68Å; F242-D244 WeakPolarHBondContact CE1-OD2 3.47Å; F242-D244 HydrophobicContact CZ-CB 3.84Å; F242-K248 CarbonylContact O-C 3.6Å; F242-K248 WeakPolarHBondContact O-CA 3.39Å; F242-L249 HydrophobicContact CB-CB 4.39Å; F242-L249 HydrophobicContact CD1-CD1 4.05Å; F242-L249 HydrophobicContact CD1-CG 4.28Å; F242-L249 PolarHBondContact N-O 2.62Å; F242-L249 PolarHBondContact O-N 3.49Å; F242-L252 HydrophobicContact CB-CD1 3.78Å; F242-G266 WeakPolarHBondContact CE2-O 3.39Å; F242-I269 HydrophobicContact CB-CD1 4.08Å; F242-I269 HydrophobicContact CD1-CG2 3.69Å; F242-I269 HydrophobicContact CD2-CB 4.05Å; F242-I269 HydrophobicContact CD2-CD1 3.96Å; F242-I269 HydrophobicContact CD2-CG2 4.03Å; F242-I269 HydrophobicContact CE1-CB 4.41Å; F242-I269 HydrophobicContact CE1-CG2 3.48Å; F242-I269 VanDerWaalsContact CE1-CG2 3.48Å; F242-I269 HydrophobicContact CE2-CB 3.85Å; F242-I269 HydrophobicContact CE2-CG2 3.83Å; F242-I269 HydrophobicContact CG-CB 4.4Å; F242-I269 HydrophobicContact CG-CD1 4.01Å; F242-I269 HydrophobicContact CG-CG2 3.96Å; F242-I269 HydrophobicContact CZ-CB 4.05Å; F242-I269 HydrophobicContact CZ-CG2 3.56Å; F242-E270 HydrophobicContact CE2-CB 4.49Å; F242-E270 HydrophobicContact CZ-CB 4.32Å |
| 243 | T | 98.6 | Very high | 94.6 | Very high | 37 Ų | 37 | 44.4 Ų | 44.4 | 23% | 0.227 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 133.6 | 175.9 | -48.6 | 0 | 0 | 0 | 0 | 110.4 | Y225 Q226 G247 K248 | Y225-T243 CarbonylContact C-O 3.54Å; Y225-T243 VanDerWaalsContact CA-O 3.22Å; Y225-T243 WeakPolarHBondContact CA-O 2.85Å; Q226-T243 PolarHBondContact N-O 3.3Å; Q226-T243 PolarHBondContact O-N 3.24Å; T243-G247 WeakPolarHBondContact CA-O 3.38Å; T243-K248 HydrophobicContact CG2-CB 4.33Å |
| 244 | D | 98.2 | Very high | 94.9 | Very high | 18 Ų | 18 | 43.1 Ų | 43.1 | 10% | 0.096 | 25% | 0.253 | C | S | . | . | trans | -143.9 | -159.3 | 173.9 | 70.8 | -0.3 | 0 | 0 | 0 | 110.7 | F242 A246 G247 H273 | F242-D244 HydrophobicContact CE1-CB 3.68Å; F242-D244 WeakPolarHBondContact CE1-OD2 3.47Å; F242-D244 HydrophobicContact CZ-CB 3.84Å; D244-A246 VanDerWaalsContact C-N 3.34Å; D244-A246 PolarHBondContact O-N 2.87Å; D244-A246 WeakPolarHBondContact OD1-CA 3.27Å; D244-A246 WeakPolarHBondContact OD1-CB 3.22Å; D244-A246 PolarHBondContact OD1-N 2.88Å; D244-G247 PolarHBondContact N-O 3.11Å; D244-G247 PolarHBondContact O-N 3.23Å; D244-G247 PolarHBondContact OD1-N 3.39Å; D244-G247 VanDerWaalsContact OD1-N 3.17Å; D244-H273 IonicContact OD2-CE1 3.97Å; D244-H273 PolarHBondContact OD2-CE1 2.64Å; D244-H273 IonicContact OD2-CG 3.59Å; D244-H273 IonicContact OD2-ND1 3.03Å; D244-H273 PolarHBondContact OD2-ND1 3.02Å | ||
| 245 | Q | 95.7 | Very high | 95.2 | Very high | 137 Ų | 137 | 38.8 Ų | 38.8 | 64% | 0.64 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -69.4 | -24.1 | 178.1 | -60.5 | -170.6 | -0.8 | 0 | 0 | 114.4 | ||
| 246 | A | 95 | Very high | 95.4 | Very high | 64 Ų | 64 | 34.4 Ų | 34.4 | 53% | 0.529 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -79.9 | -22.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | D244 H273 F283 | D244-A246 VanDerWaalsContact C-N 3.34Å; D244-A246 PolarHBondContact O-N 2.87Å; D244-A246 WeakPolarHBondContact OD1-CA 3.27Å; D244-A246 WeakPolarHBondContact OD1-CB 3.22Å; D244-A246 PolarHBondContact OD1-N 2.88Å; A246-H273 VanDerWaalsContact CB-CE1 3.43Å; A246-H273 WeakPolarHBondContact CB-CE1 3.2Å; A246-F283 HydrophobicContact CB-CD1 4.02Å; A246-F283 HydrophobicContact CB-CE1 4.09Å |
| 247 | G | 95.9 | Very high | 95.4 | Very high | 31 Ų | 31 | 32.9 Ų | 32.9 | 32% | 0.32 | 19% | 0.192 | S | C | . | . | trans | 140.1 | -150.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | T243 D244 | T243-G247 WeakPolarHBondContact CA-O 3.38Å; D244-G247 PolarHBondContact N-O 3.11Å; D244-G247 PolarHBondContact O-N 3.23Å; D244-G247 PolarHBondContact OD1-N 3.39Å; D244-G247 VanDerWaalsContact OD1-N 3.17Å | ||
| 248 | K | 97.4 | Very high | 95.1 | Very high | 113 Ų | 113 | 32.8 Ų | 32.8 | 49% | 0.491 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 123.8 | -177.2 | -175.5 | 173.7 | -173.8 | 173.6 | 0 | 110.9 | F242 T243 T250 | F242-K248 CarbonylContact O-C 3.6Å; F242-K248 WeakPolarHBondContact O-CA 3.39Å; T243-K248 HydrophobicContact CG2-CB 4.33Å; K248-T250 HydrophobicContact CD-CG2 4.14Å; K248-T250 HydrophobicContact CG-CG2 3.99Å |
| 249 | L | 97.9 | Very high | 94.9 | Very high | 18 Ų | 18 | 39.3 Ų | 39.3 | 9% | 0.094 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 126.1 | 168.6 | -52.1 | -178.6 | 0 | 0 | 0 | 108.4 | N241 F242 L252 I269 F283 E285 I288 | N241-L249 WeakPolarHBondContact CA-O 3.19Å; F242-L249 HydrophobicContact CB-CB 4.39Å; F242-L249 HydrophobicContact CD1-CD1 4.05Å; F242-L249 HydrophobicContact CD1-CG 4.28Å; F242-L249 PolarHBondContact N-O 2.62Å; F242-L249 PolarHBondContact O-N 3.49Å; L249-L252 HydrophobicContact CB-CD1 3.95Å; L249-L252 HydrophobicContact CB-CD2 4.29Å; L249-L252 HydrophobicContact CB-CG 4.21Å; L249-L252 HydrophobicContact CD1-CD1 4.34Å; L249-I269 HydrophobicContact CD1-CG2 4.28Å; L249-F283 HydrophobicContact CD1-CE1 4.46Å; L249-F283 HydrophobicContact CD1-CZ 4.25Å; L249-E285 HydrophobicContact CD2-CB 3.92Å; L249-E285 HydrophobicContact CD2-CG 3.99Å; L249-I288 HydrophobicContact CD1-CD1 3.51Å; L249-I288 HydrophobicContact CD1-CG2 4.46Å |
| 250 | T | 96.4 | Very high | 94.5 | Very high | 66 Ų | 66 | 40.4 Ų | 40.4 | 41% | 0.405 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 150.8 | -172.8 | 59.2 | 0 | 0 | 0 | 0 | 112.9 | N241 K248 L252 | N241-T250 VanDerWaalsContact OD1-CA 3.24Å; N241-T250 WeakPolarHBondContact OD1-CA 3.42Å; K248-T250 HydrophobicContact CD-CG2 4.14Å; K248-T250 HydrophobicContact CG-CG2 3.99Å; T250-L252 PolarHBondContact O-N 2.88Å |
| 251 | S | 93.7 | Very high | 94.3 | Very high | 81 Ų | 81 | 40.9 Ų | 40.9 | 57% | 0.566 | 22% | 0.222 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | 56 | 37.2 | 173.9 | -52.1 | 0 | 0 | 0 | 0 | 113.3 | F240 N241 | F240-S251 PolarHBondContact O-N 3.03Å; N241-S251 PolarHBondContact OD1-N 3.4Å |
| 252 | L | 97.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 145.2 | 171.1 | -62.1 | -177.8 | 0 | 0 | 0 | 109.2 | L239 F240 F242 L249 T250 I269 I288 Q289 L292 | L239-L252 WeakPolarHBondContact CA-O 3.4Å; F240-L252 HydrophobicContact CD1-CB 4.03Å; F240-L252 WeakPolarHBondContact CD1-O 3.49Å; F240-L252 HydrophobicContact CD2-CB 4.34Å; F240-L252 HydrophobicContact CD2-CD1 4.47Å; F240-L252 HydrophobicContact CE1-CB 3.61Å; F240-L252 HydrophobicContact CE2-CB 3.99Å; F240-L252 HydrophobicContact CE2-CD1 3.73Å; F240-L252 HydrophobicContact CE2-CG 4.49Å; F240-L252 HydrophobicContact CG-CB 4.38Å; F240-L252 HydrophobicContact CZ-CB 3.61Å; F240-L252 HydrophobicContact CZ-CD1 3.85Å; F240-L252 HydrophobicContact CZ-CG 4.4Å; F240-L252 PolarHBondContact N-O 2.85Å; F240-L252 PolarHBondContact O-N 3.13Å; F242-L252 HydrophobicContact CB-CD1 3.78Å; L249-L252 HydrophobicContact CB-CD1 3.95Å; L249-L252 HydrophobicContact CB-CD2 4.29Å; L249-L252 HydrophobicContact CB-CG 4.21Å; L249-L252 HydrophobicContact CD1-CD1 4.34Å; T250-L252 PolarHBondContact O-N 2.88Å; L252-I269 HydrophobicContact CD1-CD1 3.61Å; L252-I288 HydrophobicContact CD1-CG2 4.46Å; L252-I288 HydrophobicContact CD2-CG2 4.42Å; L252-Q289 HydrophobicContact CD2-CG 3.54Å; L252-L292 HydrophobicContact CB-CD1 4.34Å; L252-L292 HydrophobicContact CD1-CD1 4.29Å |
| 253 | K | 96.4 | Very high | 94.1 | Very high | 41 Ų | 41 | 41.9 Ų | 41.9 | 18% | 0.178 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 138 | -179.3 | -176 | 176.9 | 171.7 | 165.7 | 0 | 109.7 | D233 T235 W236 E238 L239 L292 M293 | D233-K253 HydrophobicContact CB-CD 4.46Å; D233-K253 IonicContact OD1-NZ 2.57Å; D233-K253 PolarHBondContact OD1-NZ 2.87Å; D233-K253 VanDerWaalsContact OD2-CD 3.31Å; D233-K253 WeakPolarHBondContact OD2-CD 3.41Å; D233-K253 VanDerWaalsContact OD2-CE 3.26Å; D233-K253 WeakPolarHBondContact OD2-CE 3.29Å; D233-K253 IonicContact OD2-NZ 2.66Å; D233-K253 PolarHBondContact OD2-NZ 3.42Å; T235-K253 PolarHBondContact OG1-NZ 2.84Å; T235-K253 VanDerWaalsContact OG1-NZ 3.13Å; W236-K253 WeakPolarHBondContact O-CE 3.48Å; W236-K253 PolarHBondContact O-NZ 3.14Å; W236-K253 VanDerWaalsContact O-NZ 3.14Å; E238-K253 WeakPolarHBondContact O-CA 3.35Å; L239-K253 HydrophobicContact CD2-CB 3.74Å; L239-K253 HydrophobicContact CD2-CD 4.31Å; L239-K253 HydrophobicContact CD2-CG 3.97Å; K253-L292 WeakPolarHBondContact O-CB 3.47Å; K253-M293 HydrophobicContact CB-SD 3.61Å; K253-M293 HydrophobicContact CD-CE 3.88Å; K253-M293 HydrophobicContact CD-SD 3.51Å; K253-M293 VanDerWaalsContact CD-SD 3.51Å; K253-M293 HydrophobicContact CG-CE 4.4Å; K253-M293 HydrophobicContact CG-SD 3.45Å; K253-M293 WeakPolarHBondContact CG-SD 3.02Å |
| 254 | V | 95.3 | Very high | 94 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 144.4 | 169.6 | -74.6 | 0 | 0 | 0 | 0 | 110.8 | Y55 G237 E238 F240 V262 A265 L292 | Y55-V254 HydrophobicContact CD1-CG1 4.13Å; Y55-V254 HydrophobicContact CE1-CB 3.82Å; Y55-V254 HydrophobicContact CE1-CG1 3.46Å; Y55-V254 VanDerWaalsContact CE1-CG1 3.46Å; Y55-V254 WeakPolarHBondContact OH-CB 3.4Å; G237-V254 CarbonylContact C-O 3.59Å; G237-V254 WeakPolarHBondContact CA-O 3.36Å; E238-V254 HydrophobicContact CB-CG2 3.9Å; E238-V254 PolarHBondContact N-O 3.12Å; E238-V254 PolarHBondContact O-N 3.14Å; F240-V254 HydrophobicContact CE1-CG1 3.83Å; F240-V254 HydrophobicContact CE1-CG2 4.26Å; F240-V254 HydrophobicContact CZ-CG1 4.35Å; V254-V262 HydrophobicContact CG2-CG1 4.05Å; V254-A265 HydrophobicContact CG1-CB 3.82Å; V254-L292 HydrophobicContact CG1-CB 4.13Å; V254-L292 HydrophobicContact CG1-CD1 4.36Å; V254-L292 HydrophobicContact CG1-CD2 3.92Å; V254-L292 HydrophobicContact CG1-CG 4.36Å |
| 255 | P | 91.5 | Very high | 94 | Very high | 24 Ų | 24 | 39.6 Ų | 39.6 | 16% | 0.156 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -80.4 | -18.4 | -179 | 31 | -35 | 0 | 0 | 0 | 113.9 | W236 L292 A295 | W236-P255 VanDerWaalsContact CD1-O 3.29Å; W236-P255 PolarHBondContact NE1-O 3.37Å; P255-L292 WeakPolarHBondContact CD-O 3.36Å; P255-A295 WeakPolarHBondContact CG-O 3.15Å |
| 256 | L | 89.9 | Confident | 94.2 | Very high | 10 Ų | 10 | 33 Ų | 33 | 5% | 0.052 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -84.4 | 130 | 179.3 | -47.5 | 177.9 | 0 | 0 | 0 | 110.3 | Y55 Q261 W297 | Y55-L256 HydrophobicContact CE1-CD1 4.37Å; Y55-L256 HydrophobicContact CE1-CG 4.49Å; Y55-L256 HydrophobicContact CE2-CD1 4.24Å; Y55-L256 VanDerWaalsContact OH-CB 3.29Å; Y55-L256 WeakPolarHBondContact OH-CB 3.48Å; Y55-L256 WeakPolarHBondContact OH-CD1 3.41Å; Y55-L256 WeakPolarHBondContact OH-CG 3.34Å; L256-Q261 HydrophobicContact CB-CB 4.14Å; L256-Q261 HydrophobicContact CB-CG 3.74Å; L256-Q261 WeakPolarHBondContact O-CB 3.33Å; L256-W297 HydrophobicContact CD1-CB 3.69Å; L256-W297 HydrophobicContact CD1-CG 4.48Å; L256-W297 HydrophobicContact CD2-CB 3.95Å; L256-W297 HydrophobicContact CG-CB 4.49Å |
| 257 | L | 88 | Confident | 94.4 | Very high | 9 Ų | 9 | 30 Ų | 30 | 5% | 0.047 | 16% | 0.157 | C | C | . | . | trans | -77.1 | 143.4 | -178 | -62.7 | -177.9 | 0 | 0 | 0 | 112.9 | W236 Q261 M301 F332 | W236-L257 HydrophobicContact CE3-CD1 4.44Å; W236-L257 HydrophobicContact CH2-CD1 3.29Å; W236-L257 HydrophobicContact CH2-CG 4.07Å; W236-L257 HydrophobicContact CZ2-CD1 3.48Å; W236-L257 VanDerWaalsContact CZ2-CD1 3.48Å; W236-L257 HydrophobicContact CZ2-CD2 4.43Å; W236-L257 HydrophobicContact CZ2-CG 3.71Å; W236-L257 HydrophobicContact CZ3-CD1 3.82Å; L257-Q261 WeakPolarHBondContact O-CG 3.41Å; L257-M301 HydrophobicContact CB-CB 3.97Å; L257-M301 HydrophobicContact CB-CE 4.33Å; L257-M301 HydrophobicContact CD1-CE 3.92Å; L257-F332 HydrophobicContact CD1-CE2 4.16Å; L257-F332 HydrophobicContact CD1-CZ 3.71Å | ||
| 258 | G | 85.5 | Confident | 94.5 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.142 | C | C | . | . | S | Bend | trans | 120 | 139 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | E238 H260 Q261 | E238-G258 WeakPolarHBondContact OE1-CA 3.47Å; E238-G258 PolarHBondContact OE1-N 3.33Å; G258-H260 PolarHBondContact O-N 2.85Å; G258-H260 VanDerWaalsContact O-N 3.17Å; G258-Q261 WeakPolarHBondContact O-CA 3.49Å; G258-Q261 WeakPolarHBondContact O-CB 3.29Å; G258-Q261 PolarHBondContact O-N 3.39Å |
| 259 | R | 88.1 | Confident | 94.6 | Very high | 137 Ų | 137 | 23.1 Ų | 23.1 | 52% | 0.517 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -55 | -36.7 | 173.7 | -69.1 | -174.5 | 174.3 | -177.2 | -0.8 | 113.8 | Y229 Q261 V262 E263 | Y229-R259 HydrophobicContact CD1-CG 4.39Å; Y229-R259 HydrophobicContact CD2-CG 3.93Å; Y229-R259 HydrophobicContact CE1-CG 4.43Å; Y229-R259 HydrophobicContact CE2-CG 3.96Å; Y229-R259 HydrophobicContact CG-CG 4.13Å; R259-Q261 PolarHBondContact O-N 3.48Å; R259-V262 WeakPolarHBondContact O-CG2 3.09Å; R259-V262 PolarHBondContact O-N 2.78Å; R259-E263 WeakPolarHBondContact O-CG 3.41Å; R259-E263 PolarHBondContact O-N 3.17Å; R259-E263 VanDerWaalsContact O-N 3.17Å |
| 260 | H | 89.1 | Confident | 94.6 | Very high | 45 Ų | 45 | 22.4 Ų | 22.4 | 21% | 0.208 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -64.3 | -25.5 | 176.2 | 63.7 | -76.8 | 0 | 0 | 0 | 112 | G258 E263 N264 | G258-H260 PolarHBondContact O-N 2.85Å; G258-H260 VanDerWaalsContact O-N 3.17Å; H260-E263 PolarHBondContact O-N 2.94Å; H260-N264 WeakPolarHBondContact O-CB 3.37Å; H260-N264 PolarHBondContact O-N 3.49Å; H260-N264 PolarHBondContact O-ND2 3.12Å; H260-N264 VanDerWaalsContact O-ND2 3.13Å; H260-N264 PolarHBondContact O-OD1 3.49Å |
| 261 | Q | 92.8 | Very high | 94.7 | Very high | 10 Ų | 10 | 19.2 Ų | 19.2 | 5% | 0.047 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -69.8 | -37.3 | 174.8 | -60.5 | -61.9 | -13.4 | 0 | 0 | 111.8 | S51 L256 L257 G258 R259 E263 N264 A265 | S51-Q261 PolarHBondContact OG-OE1 2.9Å; L256-Q261 HydrophobicContact CB-CB 4.14Å; L256-Q261 HydrophobicContact CB-CG 3.74Å; L256-Q261 WeakPolarHBondContact O-CB 3.33Å; L257-Q261 WeakPolarHBondContact O-CG 3.41Å; G258-Q261 WeakPolarHBondContact O-CA 3.49Å; G258-Q261 WeakPolarHBondContact O-CB 3.29Å; G258-Q261 PolarHBondContact O-N 3.39Å; R259-Q261 PolarHBondContact O-N 3.48Å; Q261-E263 VanDerWaalsContact C-N 3.32Å; Q261-N264 PolarHBondContact O-N 3.42Å; Q261-A265 WeakPolarHBondContact O-CB 3.46Å; Q261-A265 PolarHBondContact O-N 3.48Å |
| 262 | V | 95.6 | Very high | 95 | Very high | 3 Ų | 3 | 15.6 Ų | 15.6 | 2% | 0.018 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -67.7 | -35.8 | 172.4 | -47 | 0 | 0 | 0 | 0 | 111.4 | V227 Y229 E238 F240 V254 R259 A265 G266 | V227-V262 HydrophobicContact CG1-CB 3.97Å; V227-V262 HydrophobicContact CG1-CG2 3.59Å; Y229-V262 HydrophobicContact CD2-CG1 4Å; Y229-V262 HydrophobicContact CD2-CG2 3.87Å; Y229-V262 HydrophobicContact CE2-CG1 4.4Å; E238-V262 HydrophobicContact CB-CG1 3.58Å; E238-V262 HydrophobicContact CG-CG1 4.35Å; F240-V262 HydrophobicContact CB-CB 4.02Å; F240-V262 HydrophobicContact CB-CG1 4.14Å; F240-V262 HydrophobicContact CB-CG2 4.35Å; F240-V262 HydrophobicContact CD1-CB 3.93Å; F240-V262 HydrophobicContact CD1-CG1 3.82Å; F240-V262 HydrophobicContact CD2-CB 4.37Å; F240-V262 HydrophobicContact CG-CB 3.86Å; F240-V262 HydrophobicContact CG-CG1 4.13Å; V254-V262 HydrophobicContact CG2-CG1 4.05Å; R259-V262 WeakPolarHBondContact O-CG2 3.09Å; R259-V262 PolarHBondContact O-N 2.78Å; V262-A265 PolarHBondContact O-N 3.4Å; V262-G266 PolarHBondContact O-N 3.02Å |
| 263 | E | 97.1 | Very high | 95 | Very high | 36 Ų | 36 | 16.5 Ų | 16.5 | 17% | 0.168 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -64.3 | -43.8 | 174.4 | -65.4 | 171.3 | 166.4 | 0 | 0 | 110.9 | K198 Y221 R259 H260 Q261 G266 V267 | K198-E263 WeakPolarHBondContact CD-OE1 3.36Å; K198-E263 IonicContact NZ-OE1 2.76Å; K198-E263 PolarHBondContact NZ-OE1 2.88Å; Y221-E263 HydrophobicContact CE2-CB 4.23Å; Y221-E263 HydrophobicContact CE2-CG 4.1Å; R259-E263 WeakPolarHBondContact O-CG 3.41Å; R259-E263 PolarHBondContact O-N 3.17Å; R259-E263 VanDerWaalsContact O-N 3.17Å; H260-E263 PolarHBondContact O-N 2.94Å; Q261-E263 VanDerWaalsContact C-N 3.32Å; E263-G266 PolarHBondContact O-N 3.39Å; E263-V267 PolarHBondContact O-N 3Å; E263-V267 VanDerWaalsContact O-N 3.16Å |
| 264 | N | 97.6 | Very high | 95.1 | Very high | 6 Ų | 6 | 14.8 Ų | 14.8 | 3% | 0.032 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -66.5 | -36.4 | 176.1 | -65.8 | -24 | 0 | 0 | 0 | 112.5 | G48 S51 T52 Y55 H260 Q261 G266 V267 A268 | G48-N264 VanDerWaalsContact CA-ND2 3.27Å; G48-N264 WeakPolarHBondContact CA-ND2 3.4Å; S51-N264 PolarHBondContact OG-ND2 3.13Å; T52-N264 PolarHBondContact OG1-O 3.01Å; Y55-N264 HydrophobicContact CE2-CB 4.47Å; H260-N264 WeakPolarHBondContact O-CB 3.37Å; H260-N264 PolarHBondContact O-N 3.49Å; H260-N264 PolarHBondContact O-ND2 3.12Å; H260-N264 VanDerWaalsContact O-ND2 3.13Å; H260-N264 PolarHBondContact O-OD1 3.49Å; Q261-N264 PolarHBondContact O-N 3.42Å; N264-G266 VanDerWaalsContact C-N 3.33Å; N264-V267 PolarHBondContact O-N 3.26Å; N264-A268 PolarHBondContact O-N 3.42Å; N264-A268 VanDerWaalsContact O-N 3.12Å |
| 265 | A | 98.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -64.6 | -38.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y55 F240 V254 Q261 V262 V267 A268 I269 L292 | Y55-A265 HydrophobicContact CD2-CB 3.87Å; Y55-A265 HydrophobicContact CE2-CB 3.93Å; Y55-A265 HydrophobicContact CG-CB 4.26Å; F240-A265 HydrophobicContact CE1-CB 4.42Å; F240-A265 HydrophobicContact CZ-CB 3.86Å; V254-A265 HydrophobicContact CG1-CB 3.82Å; Q261-A265 WeakPolarHBondContact O-CB 3.46Å; Q261-A265 PolarHBondContact O-N 3.48Å; V262-A265 PolarHBondContact O-N 3.4Å; A265-V267 PolarHBondContact O-N 3.05Å; A265-A268 WeakPolarHBondContact O-CB 3.29Å; A265-A268 PolarHBondContact O-N 3.43Å; A265-A268 VanDerWaalsContact O-N 3.13Å; A265-I269 VanDerWaalsContact O-CG1 3.26Å; A265-I269 WeakPolarHBondContact O-CG1 3.45Å; A265-I269 PolarHBondContact O-N 3.17Å; A265-L292 HydrophobicContact CB-CD2 4.06Å |
| 266 | G | 98.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -57.6 | -44.7 | 172 | 0 | 0 | 0 | 0 | 0 | 113.2 | F242 V262 E263 N264 A268 I269 E270 | F242-G266 WeakPolarHBondContact CE2-O 3.39Å; V262-G266 PolarHBondContact O-N 3.02Å; E263-G266 PolarHBondContact O-N 3.39Å; N264-G266 VanDerWaalsContact C-N 3.33Å; G266-A268 VanDerWaalsContact C-N 3.3Å; G266-A268 PolarHBondContact O-N 3.01Å; G266-I269 PolarHBondContact O-N 2.95Å; G266-E270 PolarHBondContact O-N 3Å |
| 267 | V | 98.8 | Very high | 96 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -58.9 | -43.5 | 173.7 | 178.8 | 0 | 0 | 0 | 0 | 110.9 | T52 A161 V195 Y225 E263 N264 A265 E270 L271 | T52-V267 HydrophobicContact CG2-CB 4.09Å; T52-V267 HydrophobicContact CG2-CG1 3.75Å; A161-V267 HydrophobicContact CB-CG1 3.97Å; V195-V267 HydrophobicContact CG1-CG1 4.01Å; Y225-V267 VanDerWaalsContact OH-CG2 3.26Å; Y225-V267 WeakPolarHBondContact OH-CG2 3.45Å; E263-V267 PolarHBondContact O-N 3Å; E263-V267 VanDerWaalsContact O-N 3.16Å; N264-V267 PolarHBondContact O-N 3.26Å; A265-V267 PolarHBondContact O-N 3.05Å; V267-E270 PolarHBondContact O-N 2.77Å; V267-L271 HydrophobicContact CG1-CD1 4.03Å; V267-L271 WeakPolarHBondContact O-CB 3.42Å; V267-L271 VanDerWaalsContact O-CG 3.3Å; V267-L271 WeakPolarHBondContact O-CG 3.29Å; V267-L271 PolarHBondContact O-N 3.06Å |
| 268 | A | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -65.9 | -41.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | T52 L56 N264 A265 G266 L271 Y272 | T52-A268 HydrophobicContact CG2-CB 4.19Å; L56-A268 HydrophobicContact CB-CB 3.99Å; N264-A268 PolarHBondContact O-N 3.42Å; N264-A268 VanDerWaalsContact O-N 3.12Å; A265-A268 WeakPolarHBondContact O-CB 3.29Å; A265-A268 PolarHBondContact O-N 3.43Å; A265-A268 VanDerWaalsContact O-N 3.13Å; G266-A268 VanDerWaalsContact C-N 3.3Å; G266-A268 PolarHBondContact O-N 3.01Å; A268-L271 PolarHBondContact O-N 2.81Å; A268-Y272 WeakPolarHBondContact O-CB 3.04Å; A268-Y272 PolarHBondContact O-N 2.8Å |
| 269 | I | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.4 | -44.6 | 177.3 | -64.5 | 162.5 | 0 | 0 | 0 | 110.5 | I59 F240 F242 L249 L252 A265 G266 Y272 H273 F283 I288 L292 | I59-I269 HydrophobicContact CD1-CG1 4.34Å; F240-I269 HydrophobicContact CE2-CD1 3.94Å; F240-I269 HydrophobicContact CZ-CD1 4.04Å; F242-I269 HydrophobicContact CB-CD1 4.08Å; F242-I269 HydrophobicContact CD1-CG2 3.69Å; F242-I269 HydrophobicContact CD2-CB 4.05Å; F242-I269 HydrophobicContact CD2-CD1 3.96Å; F242-I269 HydrophobicContact CD2-CG2 4.03Å; F242-I269 HydrophobicContact CE1-CB 4.41Å; F242-I269 HydrophobicContact CE1-CG2 3.48Å; F242-I269 VanDerWaalsContact CE1-CG2 3.48Å; F242-I269 HydrophobicContact CE2-CB 3.85Å; F242-I269 HydrophobicContact CE2-CG2 3.83Å; F242-I269 HydrophobicContact CG-CB 4.4Å; F242-I269 HydrophobicContact CG-CD1 4.01Å; F242-I269 HydrophobicContact CG-CG2 3.96Å; F242-I269 HydrophobicContact CZ-CB 4.05Å; F242-I269 HydrophobicContact CZ-CG2 3.56Å; L249-I269 HydrophobicContact CD1-CG2 4.28Å; L252-I269 HydrophobicContact CD1-CD1 3.61Å; A265-I269 VanDerWaalsContact O-CG1 3.26Å; A265-I269 WeakPolarHBondContact O-CG1 3.45Å; A265-I269 PolarHBondContact O-N 3.17Å; G266-I269 PolarHBondContact O-N 2.95Å; I269-Y272 WeakPolarHBondContact O-CB 3.35Å; I269-Y272 PolarHBondContact O-N 3.48Å; I269-H273 PolarHBondContact O-N 2.68Å; I269-F283 HydrophobicContact CG2-CE2 4.2Å; I269-F283 HydrophobicContact CG2-CZ 3.87Å; I269-I288 HydrophobicContact CD1-CG2 4.15Å; I269-I288 HydrophobicContact CG1-CG2 3.88Å; I269-I288 HydrophobicContact CG2-CD1 4.29Å; I269-L292 HydrophobicContact CD1-CD1 4.14Å |
| 270 | E | 98.9 | Very high | 97.4 | Very high | 2 Ų | 2 | 24.4 Ų | 24.4 | 1% | 0.009 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.7 | -45.3 | 177.5 | -174.3 | 63.7 | -162.8 | 0 | 0 | 111.1 | V195 Y219 Y225 F242 G266 V267 Y272 H273 L274 | V195-E270 HydrophobicContact CG1-CB 3.98Å; V195-E270 HydrophobicContact CG1-CG 3.85Å; V195-E270 HydrophobicContact CG2-CB 4.43Å; V195-E270 HydrophobicContact CG2-CG 3.85Å; Y219-E270 WeakPolarHBondContact CD1-OE1 3.43Å; Y225-E270 WeakPolarHBondContact CB-OE2 3.37Å; Y225-E270 HydrophobicContact CD1-CB 4.2Å; Y225-E270 HydrophobicContact CD1-CG 3.8Å; Y225-E270 HydrophobicContact CD2-CB 4.38Å; Y225-E270 HydrophobicContact CE1-CB 4.37Å; Y225-E270 HydrophobicContact CE1-CG 4.18Å; Y225-E270 HydrophobicContact CG-CB 4.19Å; Y225-E270 HydrophobicContact CG-CG 4.13Å; F242-E270 HydrophobicContact CE2-CB 4.49Å; F242-E270 HydrophobicContact CZ-CB 4.32Å; G266-E270 PolarHBondContact O-N 3Å; V267-E270 PolarHBondContact O-N 2.77Å; E270-Y272 VanDerWaalsContact C-N 3.29Å; E270-Y272 PolarHBondContact O-N 2.87Å; E270-H273 WeakPolarHBondContact O-CB 3.25Å; E270-H273 PolarHBondContact O-N 2.96Å; E270-L274 WeakPolarHBondContact O-CG 3.36Å; E270-L274 PolarHBondContact O-N 2.8Å |
| 271 | L | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -58.4 | -41.2 | 173.6 | -74.3 | 168.3 | 0 | 0 | 0 | 112.3 | I41 I43 T52 L56 L159 A161 V195 V267 A268 L274 Y275 | I41-L271 HydrophobicContact CG2-CD1 4.28Å; I41-L271 HydrophobicContact CG2-CD2 4.14Å; I43-L271 HydrophobicContact CD1-CD1 4.27Å; T52-L271 HydrophobicContact CG2-CD1 4.24Å; L56-L271 HydrophobicContact CD1-CB 4.16Å; L56-L271 HydrophobicContact CD2-CB 4.02Å; L56-L271 HydrophobicContact CD2-CD1 3.87Å; L159-L271 HydrophobicContact CB-CD2 4.06Å; L159-L271 HydrophobicContact CD1-CD2 4.49Å; L159-L271 WeakPolarHBondContact CD1-O 3.36Å; A161-L271 HydrophobicContact CB-CD1 3.79Å; A161-L271 HydrophobicContact CB-CD2 4.19Å; A161-L271 HydrophobicContact CB-CG 4.37Å; V195-L271 HydrophobicContact CB-CD2 4.11Å; V195-L271 HydrophobicContact CB-CG 4.27Å; V195-L271 HydrophobicContact CG2-CD2 3.64Å; V195-L271 HydrophobicContact CG2-CG 3.99Å; V267-L271 HydrophobicContact CG1-CD1 4.03Å; V267-L271 WeakPolarHBondContact O-CB 3.42Å; V267-L271 VanDerWaalsContact O-CG 3.3Å; V267-L271 WeakPolarHBondContact O-CG 3.29Å; V267-L271 PolarHBondContact O-N 3.06Å; A268-L271 PolarHBondContact O-N 2.81Å; L271-L274 PolarHBondContact O-N 2.88Å; L271-Y275 WeakPolarHBondContact O-CB 3.21Å; L271-Y275 PolarHBondContact O-N 2.76Å |
| 272 | Y | 98.8 | Very high | 97.9 | Very high | 4 Ų | 4 | 28.7 Ų | 28.7 | 2% | 0.016 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.7 | -41.6 | 176.8 | 176.1 | -114.6 | 0 | 0 | 0 | 111.8 | I59 L60 A63 A268 I269 E270 L274 Y275 C276 F283 I288 | I59-Y272 HydrophobicContact CG2-CD1 3.48Å; I59-Y272 VanDerWaalsContact CG2-CD1 3.48Å; I59-Y272 HydrophobicContact CG2-CD2 3.59Å; I59-Y272 HydrophobicContact CG2-CE1 3.67Å; I59-Y272 HydrophobicContact CG2-CE2 3.75Å; I59-Y272 HydrophobicContact CG2-CG 3.45Å; I59-Y272 VanDerWaalsContact CG2-CG 3.45Å; L60-Y272 HydrophobicContact CD2-CD2 3.73Å; L60-Y272 HydrophobicContact CD2-CE2 3.98Å; L60-Y272 HydrophobicContact CG-CD2 4.19Å; A63-Y272 HydrophobicContact CB-CE2 3.93Å; A63-Y272 WeakPolarHBondContact CB-OH 3.22Å; A268-Y272 WeakPolarHBondContact O-CB 3.04Å; A268-Y272 PolarHBondContact O-N 2.8Å; I269-Y272 WeakPolarHBondContact O-CB 3.35Å; I269-Y272 PolarHBondContact O-N 3.48Å; E270-Y272 VanDerWaalsContact C-N 3.29Å; E270-Y272 PolarHBondContact O-N 2.87Å; Y272-L274 PolarHBondContact O-N 2.94Å; Y272-Y275 WeakPolarHBondContact O-CB 3.29Å; Y272-Y275 PolarHBondContact O-N 3.38Å; Y272-C276 VanDerWaalsContact CE2-SG 3.57Å; Y272-C276 PolarHBondContact O-N 3.44Å; Y272-C276 PolarHBondContact O-SG 2.82Å; Y272-C276 VanDerWaalsContact O-SG 3.41Å; Y272-F283 AromaticContact CD1-CD2 3.76Å; Y272-F283 HydrophobicContact CD1-CD2 3.76Å; Y272-F283 AromaticContact CD1-CE2 3.73Å; Y272-F283 HydrophobicContact CD1-CE2 3.73Å; Y272-F283 AromaticContact CE1-CD2 3.85Å; Y272-F283 HydrophobicContact CE1-CD2 3.85Å; Y272-F283 HydrophobicContact CE1-CE2 4.22Å; Y272-I288 HydrophobicContact CD1-CD1 4.23Å; Y272-I288 HydrophobicContact CD1-CG1 3.85Å; Y272-I288 HydrophobicContact CE1-CD1 4.28Å; Y272-I288 HydrophobicContact CE1-CG1 3.8Å |
| 273 | H | 98.7 | Very high | 98 | Very high | 19 Ų | 19 | 30.9 Ų | 30.9 | 9% | 0.088 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.3 | -50.4 | 174.8 | -174.3 | -171.6 | 0 | 0 | 0 | 111.2 | D244 A246 I269 E270 Y275 C276 E277 F283 | D244-H273 IonicContact OD2-CE1 3.97Å; D244-H273 PolarHBondContact OD2-CE1 2.64Å; D244-H273 IonicContact OD2-CG 3.59Å; D244-H273 IonicContact OD2-ND1 3.03Å; D244-H273 PolarHBondContact OD2-ND1 3.02Å; A246-H273 VanDerWaalsContact CB-CE1 3.43Å; A246-H273 WeakPolarHBondContact CB-CE1 3.2Å; I269-H273 PolarHBondContact O-N 2.68Å; E270-H273 WeakPolarHBondContact O-CB 3.25Å; E270-H273 PolarHBondContact O-N 2.96Å; H273-Y275 VanDerWaalsContact C-N 3.28Å; H273-Y275 PolarHBondContact O-N 3.22Å; H273-C276 WeakPolarHBondContact O-CB 3.49Å; H273-C276 PolarHBondContact O-N 2.98Å; H273-C276 VanDerWaalsContact O-N 3.1Å; H273-E277 IonicContact NE2-OE1 3.53Å; H273-E277 PolarHBondContact O-N 3.2Å; H273-F283 HydrophobicContact CB-CD2 3.83Å; H273-F283 HydrophobicContact CB-CE1 4.32Å; H273-F283 HydrophobicContact CB-CE2 3.45Å; H273-F283 VanDerWaalsContact CB-CE2 3.45Å; H273-F283 HydrophobicContact CB-CG 4.4Å; H273-F283 HydrophobicContact CB-CZ 3.74Å; H273-F283 AromaticContact CD2-CG 3.89Å; H273-F283 AromaticContact CG-CE2 3.99Å; H273-F283 AromaticContact CG-CZ 3.98Å |
| 274 | L | 98.7 | Very high | 97.9 | Very high | 5 Ų | 5 | 34.1 Ų | 34.1 | 3% | 0.026 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.6 | -36.3 | 178.3 | -59.6 | -179.3 | 0 | 0 | 0 | 112.5 | L159 P193 V195 Y219 E270 L271 Y272 E277 Q278 | L159-L274 HydrophobicContact CD1-CB 3.99Å; L159-L274 HydrophobicContact CD2-CB 3.69Å; L159-L274 HydrophobicContact CD2-CD1 4.03Å; P193-L274 HydrophobicContact CB-CD1 4.3Å; V195-L274 HydrophobicContact CG2-CD1 3.68Å; Y219-L274 HydrophobicContact CD1-CD2 4.29Å; Y219-L274 HydrophobicContact CD2-CD1 3.72Å; Y219-L274 HydrophobicContact CD2-CD2 4.37Å; Y219-L274 HydrophobicContact CE1-CD2 3.61Å; Y219-L274 HydrophobicContact CE2-CD1 3.73Å; Y219-L274 HydrophobicContact CE2-CD2 3.74Å; Y219-L274 HydrophobicContact CE2-CG 4.4Å; Y219-L274 HydrophobicContact CG-CD1 4.17Å; Y219-L274 WeakPolarHBondContact OH-CD2 3.25Å; E270-L274 WeakPolarHBondContact O-CG 3.36Å; E270-L274 PolarHBondContact O-N 2.8Å; L271-L274 PolarHBondContact O-N 2.88Å; Y272-L274 PolarHBondContact O-N 2.94Å; L274-E277 PolarHBondContact O-N 3.05Å; L274-Q278 WeakPolarHBondContact O-CG 3.38Å; L274-Q278 PolarHBondContact O-N 2.86Å |
| 275 | Y | 98.7 | Very high | 97.8 | Very high | 8 Ų | 8 | 37.5 Ų | 37.5 | 3% | 0.031 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.7 | -45.6 | 173.5 | -178.4 | -93.1 | 0 | 0 | 0 | 111.1 | I41 L60 V65 V138 I158 L271 Y272 H273 E277 Q278 K279 L281 | I41-Y275 HydrophobicContact CD1-CD2 4.19Å; L60-Y275 HydrophobicContact CD2-CD1 3.46Å; L60-Y275 VanDerWaalsContact CD2-CD1 3.46Å; L60-Y275 HydrophobicContact CD2-CE1 3.59Å; L60-Y275 HydrophobicContact CD2-CG 4.02Å; V65-Y275 HydrophobicContact CG1-CE1 4.39Å; V65-Y275 WeakPolarHBondContact CG1-OH 3.41Å; V65-Y275 HydrophobicContact CG2-CE1 4.02Å; V138-Y275 HydrophobicContact CB-CE2 3.94Å; V138-Y275 HydrophobicContact CG1-CE2 4.04Å; V138-Y275 HydrophobicContact CG2-CE2 4.06Å; I158-Y275 HydrophobicContact CD1-CD2 3.97Å; I158-Y275 HydrophobicContact CD1-CE2 4Å; L271-Y275 WeakPolarHBondContact O-CB 3.21Å; L271-Y275 PolarHBondContact O-N 2.76Å; Y272-Y275 WeakPolarHBondContact O-CB 3.29Å; Y272-Y275 PolarHBondContact O-N 3.38Å; H273-Y275 VanDerWaalsContact C-N 3.28Å; H273-Y275 PolarHBondContact O-N 3.22Å; Y275-E277 PolarHBondContact O-N 3.28Å; Y275-Q278 PolarHBondContact O-N 3.27Å; Y275-K279 HydrophobicContact CD1-CG 4.19Å; Y275-K279 HydrophobicContact CD2-CG 4.32Å; Y275-K279 HydrophobicContact CE1-CB 4.46Å; Y275-K279 HydrophobicContact CE1-CG 3.8Å; Y275-K279 HydrophobicContact CE2-CD 4.5Å; Y275-K279 HydrophobicContact CE2-CG 3.94Å; Y275-K279 HydrophobicContact CG-CG 4.44Å; Y275-K279 WeakPolarHBondContact O-CB 3.42Å; Y275-K279 WeakPolarHBondContact O-CG 3.39Å; Y275-K279 PolarHBondContact O-N 3.4Å; Y275-L281 HydrophobicContact CD1-CD1 4.19Å; Y275-L281 HydrophobicContact CE1-CD1 3.73Å |
| 276 | C | 98.5 | Very high | 97.8 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.014 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.3 | -43.9 | 175.7 | -74.5 | 0 | 0 | 0 | 0 | 112.1 | Y272 H273 Q278 K279 G280 L281 F283 | Y272-C276 VanDerWaalsContact CE2-SG 3.57Å; Y272-C276 PolarHBondContact O-N 3.44Å; Y272-C276 PolarHBondContact O-SG 2.82Å; Y272-C276 VanDerWaalsContact O-SG 3.41Å; H273-C276 WeakPolarHBondContact O-CB 3.49Å; H273-C276 PolarHBondContact O-N 2.98Å; H273-C276 VanDerWaalsContact O-N 3.1Å; C276-Q278 PolarHBondContact O-N 2.96Å; C276-K279 PolarHBondContact O-N 2.99Å; C276-G280 CarbonylContact O-C 3.52Å; C276-G280 WeakPolarHBondContact O-CA 3.42Å; C276-G280 PolarHBondContact O-N 2.99Å; C276-L281 HydrophobicContact CB-CB 4.16Å; C276-L281 WeakPolarHBondContact CB-O 3.26Å; C276-L281 PolarHBondContact O-N 2.95Å; C276-F283 HydrophobicContact CB-CB 4.45Å |
| 277 | E | 97.8 | Very high | 97.8 | Very high | 117 Ų | 117 | 44.7 Ų | 44.7 | 55% | 0.547 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -59.9 | -46.2 | 175.1 | -69.3 | -169 | 136.9 | 0 | 0 | 112 | H273 L274 Y275 K279 | H273-E277 IonicContact NE2-OE1 3.53Å; H273-E277 PolarHBondContact O-N 3.2Å; L274-E277 PolarHBondContact O-N 3.05Å; Y275-E277 PolarHBondContact O-N 3.28Å; E277-K279 VanDerWaalsContact C-N 3.3Å; E277-K279 PolarHBondContact O-N 3.31Å |
| 278 | Q | 97.8 | Very high | 97.7 | Very high | 88 Ų | 88 | 44.7 Ų | 44.7 | 41% | 0.411 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65.2 | -32.7 | 179.8 | -74.1 | -176.5 | -0.2 | 0 | 0 | 113.1 | I158 L274 Y275 C276 | I158-Q278 PolarHBondContact O-NE2 3.39Å; L274-Q278 WeakPolarHBondContact O-CG 3.38Å; L274-Q278 PolarHBondContact O-N 2.86Å; Y275-Q278 PolarHBondContact O-N 3.27Å; C276-Q278 PolarHBondContact O-N 2.96Å |
| 279 | K | 97.6 | Very high | 97.7 | Very high | 98 Ų | 98 | 48 Ų | 48 | 43% | 0.426 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -98.7 | -6.4 | -176.7 | -60.6 | -58.9 | -175.1 | 170.9 | 0 | 113.9 | Y275 C276 E277 L281 | Y275-K279 HydrophobicContact CD1-CG 4.19Å; Y275-K279 HydrophobicContact CD2-CG 4.32Å; Y275-K279 HydrophobicContact CE1-CB 4.46Å; Y275-K279 HydrophobicContact CE1-CG 3.8Å; Y275-K279 HydrophobicContact CE2-CD 4.5Å; Y275-K279 HydrophobicContact CE2-CG 3.94Å; Y275-K279 HydrophobicContact CG-CG 4.44Å; Y275-K279 WeakPolarHBondContact O-CB 3.42Å; Y275-K279 WeakPolarHBondContact O-CG 3.39Å; Y275-K279 PolarHBondContact O-N 3.4Å; C276-K279 PolarHBondContact O-N 2.99Å; E277-K279 VanDerWaalsContact C-N 3.3Å; E277-K279 PolarHBondContact O-N 3.31Å; K279-L281 VanDerWaalsContact C-N 3.28Å; K279-L281 HydrophobicContact CB-CD1 3.94Å; K279-L281 HydrophobicContact CB-CG 3.82Å |
| 280 | G | 96.6 | Very high | 97.7 | Very high | 69 Ų | 69 | 52.3 Ų | 52.3 | 71% | 0.711 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.1 | 29.6 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | C276 | C276-G280 CarbonylContact O-C 3.52Å; C276-G280 WeakPolarHBondContact O-CA 3.42Å; C276-G280 PolarHBondContact O-N 2.99Å |
| 281 | L | 96.1 | Very high | 97.6 | Very high | 67 Ų | 67 | 52.2 Ų | 52.2 | 35% | 0.351 | 27% | 0.267 | S | S | . | . | trans | -88.4 | 153 | 177.2 | -62.1 | 173.4 | 0 | 0 | 0 | 110.7 | V65 Y275 C276 K279 | V65-L281 HydrophobicContact CG2-CD1 4.29Å; Y275-L281 HydrophobicContact CD1-CD1 4.19Å; Y275-L281 HydrophobicContact CE1-CD1 3.73Å; C276-L281 HydrophobicContact CB-CB 4.16Å; C276-L281 WeakPolarHBondContact CB-O 3.26Å; C276-L281 PolarHBondContact O-N 2.95Å; K279-L281 VanDerWaalsContact C-N 3.28Å; K279-L281 HydrophobicContact CB-CD1 3.94Å; K279-L281 HydrophobicContact CB-CG 3.82Å | ||
| 282 | P | 95.3 | Very high | 97.6 | Very high | 79 Ų | 79 | 52.2 Ų | 52.2 | 51% | 0.513 | 27% | 0.267 | S | S | . | . | trans | -72.6 | 133.6 | 176.3 | 32.5 | -36.2 | 0 | 0 | 0 | 111.2 | E284 | P282-E284 HydrophobicContact CB-CG 3.86Å; P282-E284 HydrophobicContact CG-CG 4.24Å; P282-E284 PolarHBondContact O-N 2.92Å | ||
| 283 | F | 96.9 | Very high | 97.4 | Very high | 49 Ų | 49 | 56.3 Ų | 56.3 | 22% | 0.215 | 29% | 0.287 | C | S | . | . | trans | -89.1 | 86.2 | 173.1 | -176.3 | -118.7 | 0 | 0 | 0 | 109.7 | A246 L249 I269 Y272 H273 C276 I288 | A246-F283 HydrophobicContact CB-CD1 4.02Å; A246-F283 HydrophobicContact CB-CE1 4.09Å; L249-F283 HydrophobicContact CD1-CE1 4.46Å; L249-F283 HydrophobicContact CD1-CZ 4.25Å; I269-F283 HydrophobicContact CG2-CE2 4.2Å; I269-F283 HydrophobicContact CG2-CZ 3.87Å; Y272-F283 AromaticContact CD1-CD2 3.76Å; Y272-F283 HydrophobicContact CD1-CD2 3.76Å; Y272-F283 AromaticContact CD1-CE2 3.73Å; Y272-F283 HydrophobicContact CD1-CE2 3.73Å; Y272-F283 AromaticContact CE1-CD2 3.85Å; Y272-F283 HydrophobicContact CE1-CD2 3.85Å; Y272-F283 HydrophobicContact CE1-CE2 4.22Å; H273-F283 HydrophobicContact CB-CD2 3.83Å; H273-F283 HydrophobicContact CB-CE1 4.32Å; H273-F283 HydrophobicContact CB-CE2 3.45Å; H273-F283 VanDerWaalsContact CB-CE2 3.45Å; H273-F283 HydrophobicContact CB-CG 4.4Å; H273-F283 HydrophobicContact CB-CZ 3.74Å; H273-F283 AromaticContact CD2-CG 3.89Å; H273-F283 AromaticContact CG-CE2 3.99Å; H273-F283 AromaticContact CG-CZ 3.98Å; C276-F283 HydrophobicContact CB-CB 4.45Å; F283-I288 HydrophobicContact CD2-CD1 3.98Å; F283-I288 HydrophobicContact CE1-CD1 4.34Å; F283-I288 HydrophobicContact CE2-CD1 3.42Å; F283-I288 VanDerWaalsContact CE2-CD1 3.42Å; F283-I288 HydrophobicContact CE2-CG1 4.42Å; F283-I288 HydrophobicContact CZ-CD1 3.62Å | ||
| 284 | E | 95.6 | Very high | 97.2 | Very high | 104 Ų | 104 | 61.5 Ų | 61.5 | 49% | 0.486 | 31% | 0.309 | S | S | . | . | trans | -101.3 | 127.7 | -172.3 | -60.4 | -176.7 | 100 | 0 | 0 | 113.2 | P282 K286 T287 I288 | P282-E284 HydrophobicContact CB-CG 3.86Å; P282-E284 HydrophobicContact CG-CG 4.24Å; P282-E284 PolarHBondContact O-N 2.92Å; E284-K286 VanDerWaalsContact C-N 3.27Å; E284-K286 PolarHBondContact O-N 3.45Å; E284-T287 PolarHBondContact O-N 3.28Å; E284-I288 PolarHBondContact O-N 3.3Å | ||
| 285 | E | 96.9 | Very high | 97 | Very high | 76 Ų | 76 | 61.3 Ų | 61.3 | 36% | 0.355 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -54.2 | -41.4 | 176.8 | -177.4 | 175.4 | 175 | 0 | 0 | 112.7 | L249 T287 I288 Q289 | L249-E285 HydrophobicContact CD2-CB 3.92Å; L249-E285 HydrophobicContact CD2-CG 3.99Å; E285-T287 VanDerWaalsContact C-N 3.33Å; E285-T287 PolarHBondContact O-N 3.11Å; E285-I288 PolarHBondContact O-N 2.62Å; E285-Q289 HydrophobicContact CG-CG 4.27Å; E285-Q289 WeakPolarHBondContact O-CG 3.4Å; E285-Q289 PolarHBondContact O-N 3.03Å; E285-Q289 PolarHBondContact OE1-NE2 2.81Å |
| 286 | K | 97.2 | Very high | 96.5 | Very high | 136 Ų | 136 | 68.1 Ų | 68.1 | 59% | 0.591 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -63.3 | -38.6 | -178.2 | -174.2 | -179.7 | 179.9 | -177.8 | 0 | 112.4 | E284 K290 | E284-K286 VanDerWaalsContact C-N 3.27Å; E284-K286 PolarHBondContact O-N 3.45Å; K286-K290 WeakPolarHBondContact O-CB 3.44Å; K286-K290 WeakPolarHBondContact O-CG 3.49Å; K286-K290 PolarHBondContact O-N 2.86Å; K286-K290 VanDerWaalsContact O-N 3.1Å |
| 287 | T | 98 | Very high | 95.8 | Very high | 16 Ų | 16 | 69.4 Ų | 69.4 | 10% | 0.098 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -66.6 | -43.5 | 177.3 | -58.1 | 0 | 0 | 0 | 0 | 110 | E62 A63 E284 E285 G291 | E62-T287 HydrophobicContact CB-CG2 4.19Å; E62-T287 HydrophobicContact CG-CG2 3.98Å; A63-T287 HydrophobicContact CB-CG2 3.8Å; E284-T287 PolarHBondContact O-N 3.28Å; E285-T287 VanDerWaalsContact C-N 3.33Å; E285-T287 PolarHBondContact O-N 3.11Å; T287-G291 PolarHBondContact O-N 2.97Å |
| 288 | I | 98.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.5 | -50.6 | 176.5 | -63.3 | 162.6 | 0 | 0 | 0 | 110.8 | I59 L249 L252 I269 Y272 F283 E284 E285 K290 G291 L292 | I59-I288 HydrophobicContact CD1-CG2 4.45Å; I59-I288 HydrophobicContact CG2-CG1 4.36Å; L249-I288 HydrophobicContact CD1-CD1 3.51Å; L249-I288 HydrophobicContact CD1-CG2 4.46Å; L252-I288 HydrophobicContact CD1-CG2 4.46Å; L252-I288 HydrophobicContact CD2-CG2 4.42Å; I269-I288 HydrophobicContact CD1-CG2 4.15Å; I269-I288 HydrophobicContact CG1-CG2 3.88Å; I269-I288 HydrophobicContact CG2-CD1 4.29Å; Y272-I288 HydrophobicContact CD1-CD1 4.23Å; Y272-I288 HydrophobicContact CD1-CG1 3.85Å; Y272-I288 HydrophobicContact CE1-CD1 4.28Å; Y272-I288 HydrophobicContact CE1-CG1 3.8Å; F283-I288 HydrophobicContact CD2-CD1 3.98Å; F283-I288 HydrophobicContact CE1-CD1 4.34Å; F283-I288 HydrophobicContact CE2-CD1 3.42Å; F283-I288 VanDerWaalsContact CE2-CD1 3.42Å; F283-I288 HydrophobicContact CE2-CG1 4.42Å; F283-I288 HydrophobicContact CZ-CD1 3.62Å; E284-I288 PolarHBondContact O-N 3.3Å; E285-I288 PolarHBondContact O-N 2.62Å; I288-K290 PolarHBondContact O-N 2.99Å; I288-G291 PolarHBondContact O-N 2.89Å; I288-L292 HydrophobicContact CG2-CD1 3.78Å; I288-L292 HydrophobicContact CG2-CG 4.22Å; I288-L292 WeakPolarHBondContact O-CB 3.1Å; I288-L292 VanDerWaalsContact O-CG 3.26Å; I288-L292 WeakPolarHBondContact O-CG 3.35Å; I288-L292 PolarHBondContact O-N 3.23Å |
| 289 | Q | 98.1 | Very high | 94.3 | Very high | 68 Ų | 68 | 61 Ų | 61 | 32% | 0.318 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -56.4 | -48.6 | 179.8 | -77.3 | 175.5 | -13.8 | 0 | 0 | 111.9 | L252 E285 M293 | L252-Q289 HydrophobicContact CD2-CG 3.54Å; E285-Q289 HydrophobicContact CG-CG 4.27Å; E285-Q289 WeakPolarHBondContact O-CG 3.4Å; E285-Q289 PolarHBondContact O-N 3.03Å; E285-Q289 PolarHBondContact OE1-NE2 2.81Å; Q289-M293 VanDerWaalsContact O-CG 3.27Å; Q289-M293 WeakPolarHBondContact O-CG 3.48Å; Q289-M293 PolarHBondContact O-N 3.04Å |
| 290 | K | 97.8 | Very high | 93.6 | Very high | 92 Ų | 92 | 59.3 Ų | 59.3 | 40% | 0.4 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -67.8 | -42.5 | 179 | -73.5 | -178.3 | 177.2 | -174.8 | 0 | 112.6 | E62 K286 I288 M293 K294 | E62-K290 HydrophobicContact CG-CB 3.83Å; E62-K290 HydrophobicContact CG-CD 4.43Å; E62-K290 WeakPolarHBondContact OE1-CD 3.47Å; E62-K290 IonicContact OE1-NZ 2.7Å; E62-K290 PolarHBondContact OE1-NZ 3.34Å; K286-K290 WeakPolarHBondContact O-CB 3.44Å; K286-K290 WeakPolarHBondContact O-CG 3.49Å; K286-K290 PolarHBondContact O-N 2.86Å; K286-K290 VanDerWaalsContact O-N 3.1Å; I288-K290 PolarHBondContact O-N 2.99Å; K290-M293 PolarHBondContact O-N 3.27Å; K290-K294 WeakPolarHBondContact O-CG 3.46Å; K290-K294 PolarHBondContact O-N 2.9Å; K290-K294 VanDerWaalsContact O-N 3.11Å |
| 291 | G | 98 | Very high | 93.2 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.1 | -47.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | S58 T287 I288 M293 K294 A295 | S58-G291 WeakPolarHBondContact CB-O 3.29Å; S58-G291 WeakPolarHBondContact O-CA 3.39Å; T287-G291 PolarHBondContact O-N 2.97Å; I288-G291 PolarHBondContact O-N 2.89Å; G291-M293 VanDerWaalsContact C-N 3.34Å; G291-M293 PolarHBondContact O-N 3.25Å; G291-K294 PolarHBondContact O-N 3.04Å; G291-A295 PolarHBondContact O-N 3.39Å |
| 292 | L | 97.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60 | -42.6 | 176.4 | -70.5 | 173.9 | 0 | 0 | 0 | 112.3 | Y55 I59 F240 L252 K253 V254 P255 A265 I269 I288 K294 A295 | Y55-L292 HydrophobicContact CD1-CD2 3.64Å; Y55-L292 HydrophobicContact CE1-CD2 4.36Å; Y55-L292 HydrophobicContact CG-CD2 3.99Å; I59-L292 HydrophobicContact CD1-CD2 3.82Å; I59-L292 HydrophobicContact CD1-CG 4.11Å; I59-L292 HydrophobicContact CG1-CD2 4.4Å; I59-L292 HydrophobicContact CG1-CG 4.37Å; F240-L292 HydrophobicContact CE1-CD1 4.49Å; F240-L292 HydrophobicContact CZ-CD1 4.02Å; L252-L292 HydrophobicContact CB-CD1 4.34Å; L252-L292 HydrophobicContact CD1-CD1 4.29Å; K253-L292 WeakPolarHBondContact O-CB 3.47Å; V254-L292 HydrophobicContact CG1-CB 4.13Å; V254-L292 HydrophobicContact CG1-CD1 4.36Å; V254-L292 HydrophobicContact CG1-CD2 3.92Å; V254-L292 HydrophobicContact CG1-CG 4.36Å; P255-L292 WeakPolarHBondContact CD-O 3.36Å; A265-L292 HydrophobicContact CB-CD2 4.06Å; I269-L292 HydrophobicContact CD1-CD1 4.14Å; I288-L292 HydrophobicContact CG2-CD1 3.78Å; I288-L292 HydrophobicContact CG2-CG 4.22Å; I288-L292 WeakPolarHBondContact O-CB 3.1Å; I288-L292 VanDerWaalsContact O-CG 3.26Å; I288-L292 WeakPolarHBondContact O-CG 3.35Å; I288-L292 PolarHBondContact O-N 3.23Å; L292-K294 VanDerWaalsContact C-N 3.26Å; L292-K294 PolarHBondContact O-N 2.87Å; L292-A295 VanDerWaalsContact O-CB 3.29Å; L292-A295 WeakPolarHBondContact O-CB 3.48Å; L292-A295 PolarHBondContact O-N 2.87Å; L292-A295 VanDerWaalsContact O-N 3.16Å |
| 293 | M | 95.4 | Very high | 92.3 | Very high | 89 Ų | 89 | 53.2 Ų | 53.2 | 44% | 0.438 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -67.3 | -24.9 | 178.9 | -73.8 | -59.3 | -59 | 0 | 0 | 113.8 | K253 Q289 K290 G291 | K253-M293 HydrophobicContact CB-SD 3.61Å; K253-M293 HydrophobicContact CD-CE 3.88Å; K253-M293 HydrophobicContact CD-SD 3.51Å; K253-M293 VanDerWaalsContact CD-SD 3.51Å; K253-M293 HydrophobicContact CG-CE 4.4Å; K253-M293 HydrophobicContact CG-SD 3.45Å; K253-M293 WeakPolarHBondContact CG-SD 3.02Å; Q289-M293 VanDerWaalsContact O-CG 3.27Å; Q289-M293 WeakPolarHBondContact O-CG 3.48Å; Q289-M293 PolarHBondContact O-N 3.04Å; K290-M293 PolarHBondContact O-N 3.27Å; G291-M293 VanDerWaalsContact C-N 3.34Å; G291-M293 PolarHBondContact O-N 3.25Å |
| 294 | K | 95 | Very high | 91.7 | Very high | 128 Ų | 128 | 54 Ų | 54 | 56% | 0.557 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -5 | 175.1 | -71.4 | 177.2 | 175.4 | -176 | 0 | 113.3 | E62 K290 G291 L292 Q296 | E62-K294 WeakPolarHBondContact OE2-CE 3.33Å; E62-K294 IonicContact OE2-NZ 2.94Å; E62-K294 PolarHBondContact OE2-NZ 3.26Å; K290-K294 WeakPolarHBondContact O-CG 3.46Å; K290-K294 PolarHBondContact O-N 2.9Å; K290-K294 VanDerWaalsContact O-N 3.11Å; G291-K294 PolarHBondContact O-N 3.04Å; L292-K294 VanDerWaalsContact C-N 3.26Å; L292-K294 PolarHBondContact O-N 2.87Å; K294-Q296 PolarHBondContact O-N 3.41Å |
| 295 | A | 93.9 | Very high | 91.3 | Very high | 2 Ų | 2 | 50.7 Ų | 50.7 | 2% | 0.017 | 24% | 0.24 | C | C | . | . | trans | -67.3 | 125.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y55 S58 P255 G291 L292 | Y55-A295 HydrophobicContact CD1-CB 3.35Å; Y55-A295 HydrophobicContact CE1-CB 3.65Å; Y55-A295 HydrophobicContact CG-CB 4.38Å; S58-A295 WeakPolarHBondContact OG-CA 3.23Å; P255-A295 WeakPolarHBondContact CG-O 3.15Å; G291-A295 PolarHBondContact O-N 3.39Å; L292-A295 VanDerWaalsContact O-CB 3.29Å; L292-A295 WeakPolarHBondContact O-CB 3.48Å; L292-A295 PolarHBondContact O-N 2.87Å; L292-A295 VanDerWaalsContact O-N 3.16Å | ||
| 296 | Q | 87.4 | Confident | 90.7 | Very high | 151 Ų | 151 | 52.1 Ų | 52.1 | 71% | 0.706 | 25% | 0.25 | S | S | * | . | trans | -120.8 | 137.8 | 174.4 | -68.9 | -178.5 | -33.4 | 0 | 0 | 108.9 | K294 | K294-Q296 PolarHBondContact O-N 3.41Š| ||
| 297 | W | 84.5 | Confident | 90 | Very high | 28 Ų | 28 | 54.6 Ų | 54.6 | 11% | 0.106 | 26% | 0.264 | C | S | . | . | trans | -145.5 | 91.7 | 176.1 | -162.8 | -118.3 | 0 | 0 | 0 | 108.6 | A54 T71 I75 L256 R300 | A54-W297 HydrophobicContact CB-CB 4.23Å; A54-W297 HydrophobicContact CB-CD2 4.24Å; A54-W297 HydrophobicContact CB-CE3 3.76Å; A54-W297 HydrophobicContact CB-CG 4.44Å; T71-W297 HydrophobicContact CG2-CH2 3.61Å; T71-W297 HydrophobicContact CG2-CZ3 3.99Å; I75-W297 HydrophobicContact CD1-CZ2 4.15Å; L256-W297 HydrophobicContact CD1-CB 3.69Å; L256-W297 HydrophobicContact CD1-CG 4.48Å; L256-W297 HydrophobicContact CD2-CB 3.95Å; L256-W297 HydrophobicContact CG-CB 4.49Å; W297-R300 VanDerWaalsContact CD1-CG 3.45Å | ||
| 298 | P | 83 | Confident | 89.5 | Confident | 26 Ų | 26 | 55.7 Ų | 55.7 | 17% | 0.169 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | 150.2 | -171.8 | -34.4 | 39.9 | 0 | 0 | 0 | 115.3 | I75 E76 R300 E302 | I75-P298 HydrophobicContact CB-CB 4.49Å; I75-P298 HydrophobicContact CD1-CB 4.26Å; I75-P298 WeakPolarHBondContact CD1-O 3.41Å; I75-P298 HydrophobicContact CG2-CB 3.93Å; E76-P298 HydrophobicContact CG-CB 4.38Å; E76-P298 WeakPolarHBondContact OE1-CB 3.44Å; E76-P298 VanDerWaalsContact OE1-CG 3.25Å; E76-P298 WeakPolarHBondContact OE1-CG 3.4Å; P298-R300 PolarHBondContact O-N 3.17Å; P298-R300 VanDerWaalsContact O-N 3.15Å; P298-E302 VanDerWaalsContact CA-OE2 3.28Å; P298-E302 WeakPolarHBondContact CA-OE2 3.43Å |
| 299 | A | 80.7 | Confident | 89.1 | Confident | 2 Ų | 2 | 56.6 Ų | 56.6 | 2% | 0.017 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53 | 35.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | I75 E302 D313 G314 L416 V419 | I75-A299 HydrophobicContact CG2-CB 3.79Å; A299-E302 PolarHBondContact N-OE2 3.25Å; A299-D313 CarbonylContact O-C 3.45Å; A299-D313 WeakPolarHBondContact O-CA 3.49Å; A299-G314 PolarHBondContact O-N 3.05Å; A299-L416 HydrophobicContact CB-CD2 4.34Å; A299-V419 HydrophobicContact CB-CG1 3.74Å |
| 300 | R | 83.9 | Confident | 88.8 | Confident | 63 Ų | 63 | 54.5 Ų | 54.5 | 24% | 0.238 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -131.5 | 85.8 | 173.1 | -69.8 | -66.4 | -174.2 | -125.2 | -10.6 | 109.8 | W297 P298 E302 D313 G314 | W297-R300 VanDerWaalsContact CD1-CG 3.45Å; P298-R300 PolarHBondContact O-N 3.17Å; P298-R300 VanDerWaalsContact O-N 3.15Å; R300-E302 PolarHBondContact O-N 2.83Å; R300-D313 WeakPolarHBondContact CA-OD2 3.5Å; R300-G314 PolarHBondContact NH1-O 3.47Å |
| 301 | M | 86.6 | Confident | 88.5 | Confident | 3 Ų | 3 | 50.1 Ų | 50.1 | 2% | 0.015 | 25% | 0.247 | C | C | . | . | S | Bend | trans | 44.5 | 50.5 | -170.3 | -64.9 | -74.1 | -64.9 | 0 | 0 | 110.5 | W236 L257 V311 M312 D313 L324 N327 V328 F332 | W236-M301 VanDerWaalsContact CZ2-O 3.3Å; W236-M301 WeakPolarHBondContact CZ2-O 3.28Å; L257-M301 HydrophobicContact CB-CB 3.97Å; L257-M301 HydrophobicContact CB-CE 4.33Å; L257-M301 HydrophobicContact CD1-CE 3.92Å; M301-V311 HydrophobicContact SD-CG1 4.48Å; M301-M312 WeakPolarHBondContact CA-O 3.31Å; M301-M312 PolarHBondContact N-O 2.95Å; M301-D313 PolarHBondContact N-OD2 3.25Å; M301-L324 HydrophobicContact CG-CD1 4.48Å; M301-L324 HydrophobicContact SD-CD1 3.25Å; M301-L324 WeakPolarHBondContact SD-CD1 2.93Å; M301-N327 HydrophobicContact CE-CB 3.83Å; M301-N327 HydrophobicContact SD-CB 4.19Å; M301-V328 HydrophobicContact CE-CG2 4.5Å; M301-F332 HydrophobicContact CE-CD2 4.42Å; M301-F332 HydrophobicContact CE-CE2 3.62Å; M301-F332 HydrophobicContact CE-CZ 4.49Å |
| 302 | E | 86.2 | Confident | 88.2 | Confident | 35 Ų | 35 | 50.5 Ų | 50.5 | 16% | 0.164 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 127 | -177.3 | -179.2 | -178.1 | -173.4 | 0 | 0 | 109.5 | P298 A299 R300 V304 V311 M312 R424 | P298-E302 VanDerWaalsContact CA-OE2 3.28Å; P298-E302 WeakPolarHBondContact CA-OE2 3.43Å; A299-E302 PolarHBondContact N-OE2 3.25Å; R300-E302 PolarHBondContact O-N 2.83Å; E302-V304 HydrophobicContact CG-CG1 4.01Å; E302-V311 CarbonylContact O-C 3.38Å; E302-V311 VanDerWaalsContact O-CA 3.29Å; E302-V311 WeakPolarHBondContact O-CA 3.39Å; E302-M312 PolarHBondContact N-O 2.92Å; E302-M312 PolarHBondContact O-N 2.65Å; E302-R424 IonicContact OE1-CZ 3.93Å; E302-R424 VanDerWaalsContact OE1-CZ 3.32Å; E302-R424 IonicContact OE1-NH1 3.57Å; E302-R424 PolarHBondContact OE1-NH1 3.21Å; E302-R424 IonicContact OE1-NH2 3.68Å; E302-R424 PolarHBondContact OE1-NH2 3.41Å; E302-R424 IonicContact OE2-CZ 2.94Å; E302-R424 IonicContact OE2-NH1 3.45Å; E302-R424 PolarHBondContact OE2-NH1 2.88Å; E302-R424 IonicContact OE2-NH2 3.41Å |
| 303 | K | 86.8 | Confident | 87.9 | Confident | 49 Ų | 49 | 51 Ų | 51 | 21% | 0.213 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 124.6 | 168.9 | -176 | 166.8 | 59.4 | 171.3 | 0 | 109.6 | T235 W236 S305 D306 L309 | T235-K303 PolarHBondContact O-NZ 3.33Å; W236-K303 HydrophobicContact CD2-CB 3.77Å; W236-K303 HydrophobicContact CD2-CD 3.95Å; W236-K303 HydrophobicContact CD2-CG 4.48Å; W236-K303 HydrophobicContact CE3-CB 3.89Å; W236-K303 HydrophobicContact CE3-CD 3.54Å; W236-K303 HydrophobicContact CE3-CG 4.26Å; W236-K303 HydrophobicContact CH2-CB 3.53Å; W236-K303 HydrophobicContact CH2-CD 4.47Å; W236-K303 HydrophobicContact CH2-CG 4.36Å; W236-K303 HydrophobicContact CZ2-CB 3.4Å; W236-K303 VanDerWaalsContact CZ2-CB 3.4Å; W236-K303 HydrophobicContact CZ3-CB 3.77Å; W236-K303 HydrophobicContact CZ3-CD 3.82Å; W236-K303 HydrophobicContact CZ3-CG 4.19Å; K303-S305 WeakPolarHBondContact CG-O 3.15Å; K303-D306 WeakPolarHBondContact CD-OD1 3.44Å; K303-D306 VanDerWaalsContact CE-OD1 3.31Å; K303-D306 WeakPolarHBondContact CE-OD1 3.45Å; K303-D306 IonicContact NZ-OD1 3.96Å; K303-D306 PolarHBondContact NZ-OD1 3.3Å; K303-D306 IonicContact NZ-OD2 3.14Å; K303-L309 HydrophobicContact CD-CD1 3.69Å; K303-L309 HydrophobicContact CG-CD1 4.04Å |
| 304 | V | 85.3 | Confident | 87.6 | Confident | 66 Ų | 66 | 46.8 Ų | 46.8 | 40% | 0.4 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | -14.8 | 177.9 | -61.2 | 0 | 0 | 0 | 0 | 113.7 | E302 I310 M312 | E302-V304 HydrophobicContact CG-CG1 4.01Å; V304-I310 HydrophobicContact CG2-CB 3.78Å; V304-I310 HydrophobicContact CG2-CG2 3.52Å; V304-I310 PolarHBondContact N-O 3.43Å; V304-M312 HydrophobicContact CB-CE 4.1Å; V304-M312 HydrophobicContact CG1-CE 3.26Å; V304-M312 HydrophobicContact CG1-CG 4.15Å; V304-M312 HydrophobicContact CG2-CE 4.09Å; V304-M312 HydrophobicContact CG2-CG 3.96Å |
| 305 | S | 86.4 | Confident | 87.4 | Confident | 34 Ų | 34 | 40.7 Ų | 40.7 | 24% | 0.238 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 146.3 | 171 | -179.9 | 0 | 0 | 0 | 0 | 110.5 | K303 P308 L309 I310 | K303-S305 WeakPolarHBondContact CG-O 3.15Å; S305-P308 CarbonylContact C-O 3.38Å; S305-P308 WeakPolarHBondContact CB-O 3.42Å; S305-P308 PolarHBondContact OG-O 3.01Å; S305-L309 WeakPolarHBondContact O-CA 3.47Å; S305-I310 PolarHBondContact N-O 2.77Å; S305-I310 PolarHBondContact O-N 2.85Å |
| 306 | D | 83.8 | Confident | 87 | Confident | 107 Ų | 107 | 42.8 Ų | 42.8 | 57% | 0.572 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | -45.4 | 176.8 | -79.6 | -71 | 0 | 0 | 0 | 112.3 | K303 P308 L309 | K303-D306 WeakPolarHBondContact CD-OD1 3.44Å; K303-D306 VanDerWaalsContact CE-OD1 3.31Å; K303-D306 WeakPolarHBondContact CE-OD1 3.45Å; K303-D306 IonicContact NZ-OD1 3.96Å; K303-D306 PolarHBondContact NZ-OD1 3.3Å; K303-D306 IonicContact NZ-OD2 3.14Å; D306-P308 VanDerWaalsContact C-C 3.49Å; D306-P308 CarbonylContact C-O 3.47Å; D306-P308 CarbonylContact O-C 3.45Å; D306-L309 WeakPolarHBondContact O-CA 3.33Å; D306-L309 PolarHBondContact O-N 2.87Å |
| 307 | E | 83.2 | Confident | 86.9 | Confident | 188 Ų | 188 | 38 Ų | 38 | 88% | 0.879 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -136.3 | 101.3 | -178.3 | -70 | -179.4 | -167.3 | 0 | 0 | 109.4 | ||
| 308 | P | 87.4 | Confident | 87 | Confident | 39 Ų | 39 | 37.3 Ų | 37.3 | 25% | 0.253 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -69.7 | 158.7 | -2.8 | 29.3 | -33.3 | 0 | 0 | 0 | 112.3 | S305 D306 I310 L401 M404 | S305-P308 CarbonylContact C-O 3.38Å; S305-P308 WeakPolarHBondContact CB-O 3.42Å; S305-P308 PolarHBondContact OG-O 3.01Å; D306-P308 VanDerWaalsContact C-C 3.49Å; D306-P308 CarbonylContact C-O 3.47Å; D306-P308 CarbonylContact O-C 3.45Å; P308-I310 HydrophobicContact CG-CD1 4.41Å; P308-I310 HydrophobicContact CG-CG1 4.39Å; P308-I310 PolarHBondContact O-N 3.03Å; P308-L401 HydrophobicContact CB-CD2 4.47Å; P308-L401 HydrophobicContact CG-CD2 3.46Å; P308-L401 VanDerWaalsContact CG-CD2 3.46Å; P308-M404 HydrophobicContact CB-CB 4.12Å; P308-M404 HydrophobicContact CB-CE 3.7Å; P308-M404 HydrophobicContact CB-SD 4.07Å |
| 309 | L | 91 | Very high | 86.9 | Confident | 19 Ų | 19 | 41.7 Ų | 41.7 | 10% | 0.099 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 111 | 178.1 | 178.6 | 56.9 | 0 | 0 | 0 | 109.9 | W236 K303 S305 D306 V311 F332 Y335 L409 L410 | W236-L309 HydrophobicContact CZ3-CD1 4.33Å; K303-L309 HydrophobicContact CD-CD1 3.69Å; K303-L309 HydrophobicContact CG-CD1 4.04Å; S305-L309 WeakPolarHBondContact O-CA 3.47Å; D306-L309 WeakPolarHBondContact O-CA 3.33Å; D306-L309 PolarHBondContact O-N 2.87Å; L309-V311 HydrophobicContact CD1-CG2 4.19Å; L309-V311 HydrophobicContact CG-CG2 4.35Å; L309-F332 HydrophobicContact CD2-CD1 4.44Å; L309-F332 HydrophobicContact CD2-CE1 4.09Å; L309-Y335 HydrophobicContact CD2-CD1 4.39Å; L309-Y335 HydrophobicContact CD2-CE1 3.73Å; L309-L409 HydrophobicContact CD2-CB 4.43Å; L309-L409 HydrophobicContact CD2-CD1 3.75Å; L309-L409 HydrophobicContact CD2-CG 4.27Å; L309-L409 HydrophobicContact CG-CD1 4.1Å; L309-L409 HydrophobicContact CG-CG 4.21Å; L309-L410 PolarHBondContact O-N 3.13Å |
| 310 | I | 91.4 | Very high | 87.1 | Confident | 23 Ų | 23 | 42.7 Ų | 42.7 | 12% | 0.118 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 126 | 178.2 | -51.6 | 174.1 | 0 | 0 | 0 | 109.4 | V304 S305 P308 L401 L410 I412 | V304-I310 HydrophobicContact CG2-CB 3.78Å; V304-I310 HydrophobicContact CG2-CG2 3.52Å; V304-I310 PolarHBondContact N-O 3.43Å; S305-I310 PolarHBondContact N-O 2.77Å; S305-I310 PolarHBondContact O-N 2.85Å; P308-I310 HydrophobicContact CG-CD1 4.41Å; P308-I310 HydrophobicContact CG-CG1 4.39Å; P308-I310 PolarHBondContact O-N 3.03Å; I310-L401 HydrophobicContact CD1-CD2 3.77Å; I310-L401 HydrophobicContact CG1-CD2 4.31Å; I310-L410 WeakPolarHBondContact CA-O 3.36Å; I310-L410 HydrophobicContact CD1-CD2 4.43Å; I310-L410 HydrophobicContact CG1-CB 4.24Å; I310-L410 HydrophobicContact CG1-CD2 4.27Å; I310-L410 HydrophobicContact CG2-CB 4.4Å; I310-L410 HydrophobicContact CG2-CD2 4.12Å; I310-L410 HydrophobicContact CG2-CG 4.26Å; I310-I412 HydrophobicContact CG2-CD1 3.92Å; I310-I412 HydrophobicContact CG2-CG1 4.27Å |
| 311 | V | 91.9 | Very high | 87.5 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 135.8 | 180 | -177.1 | 0 | 0 | 0 | 0 | 110 | W236 M301 E302 L309 F332 L409 L410 L411 I412 | W236-V311 HydrophobicContact CH2-CG1 4.37Å; W236-V311 HydrophobicContact CH2-CG2 3.82Å; W236-V311 HydrophobicContact CZ3-CG2 4.28Å; M301-V311 HydrophobicContact SD-CG1 4.48Å; E302-V311 CarbonylContact O-C 3.38Å; E302-V311 VanDerWaalsContact O-CA 3.29Å; E302-V311 WeakPolarHBondContact O-CA 3.39Å; L309-V311 HydrophobicContact CD1-CG2 4.19Å; L309-V311 HydrophobicContact CG-CG2 4.35Å; V311-F332 HydrophobicContact CG2-CE2 4.47Å; V311-F332 HydrophobicContact CG2-CZ 4.17Å; V311-L409 HydrophobicContact CG2-CD1 3.96Å; V311-L409 HydrophobicContact CG2-CG 4.37Å; V311-L410 PolarHBondContact N-O 2.85Å; V311-L411 HydrophobicContact CB-CD1 4.38Å; V311-L411 HydrophobicContact CG1-CD1 4.29Å; V311-L411 CarbonylContact O-C 3.38Å; V311-L411 WeakPolarHBondContact O-CA 3.46Å; V311-I412 PolarHBondContact O-N 2.56Å |
| 312 | M | 91.1 | Very high | 87.7 | Confident | 8 Ų | 8 | 45 Ų | 45 | 4% | 0.039 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 133.6 | 178.2 | -66.3 | -152.3 | -80.9 | 0 | 0 | 112.2 | M301 E302 V304 I412 V419 V423 R424 | M301-M312 WeakPolarHBondContact CA-O 3.31Å; M301-M312 PolarHBondContact N-O 2.95Å; E302-M312 PolarHBondContact N-O 2.92Å; E302-M312 PolarHBondContact O-N 2.65Å; V304-M312 HydrophobicContact CB-CE 4.1Å; V304-M312 HydrophobicContact CG1-CE 3.26Å; V304-M312 HydrophobicContact CG1-CG 4.15Å; V304-M312 HydrophobicContact CG2-CE 4.09Å; V304-M312 HydrophobicContact CG2-CG 3.96Å; M312-I412 WeakPolarHBondContact CA-O 3.45Å; M312-I412 HydrophobicContact CG-CB 4.12Å; M312-I412 HydrophobicContact CG-CD1 4.41Å; M312-V419 HydrophobicContact CB-CG1 3.84Å; M312-V419 HydrophobicContact CG-CG1 4.33Å; M312-V419 HydrophobicContact SD-CG1 3.82Å; M312-V423 HydrophobicContact SD-CG1 3.91Å; M312-R424 HydrophobicContact CE-CB 4.22Å; M312-R424 HydrophobicContact CE-CG 4.3Å |
| 313 | D | 91.7 | Very high | 87.7 | Confident | 11 Ų | 11 | 48.2 Ų | 48.2 | 6% | 0.059 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 124.6 | 172.6 | -167 | -70.5 | 0 | 0 | 0 | 112.8 | A299 R300 M301 A315 L324 I412 T413 | A299-D313 CarbonylContact O-C 3.45Å; A299-D313 WeakPolarHBondContact O-CA 3.49Å; R300-D313 WeakPolarHBondContact CA-OD2 3.5Å; M301-D313 PolarHBondContact N-OD2 3.25Å; D313-A315 PolarHBondContact O-N 3.4Å; D313-A315 WeakPolarHBondContact OD1-CB 3.23Å; D313-A315 PolarHBondContact OD1-N 3.08Å; D313-L324 HydrophobicContact CB-CD1 3.85Å; D313-L324 HydrophobicContact CB-CD2 4.22Å; D313-I412 PolarHBondContact N-O 2.83Å; D313-T413 WeakPolarHBondContact O-CA 3.25Å; D313-T413 VanDerWaalsContact O-CB 3.27Å; D313-T413 WeakPolarHBondContact O-CB 3.48Å; D313-T413 PolarHBondContact O-OG1 2.81Å |
| 314 | G | 89.3 | Confident | 87.9 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.234 | C | C | . | . | trans | -80.9 | 51.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | A299 R300 H316 G414 | A299-G314 PolarHBondContact O-N 3.05Å; R300-G314 PolarHBondContact NH1-O 3.47Å; G314-H316 VanDerWaalsContact C-N 3.3Å; G314-H316 PolarHBondContact O-N 2.94Å; G314-H316 PolarHBondContact O-ND1 3.47Å; G314-G414 CarbonylContact C-O 3.56Å | ||
| 315 | A | 89.7 | Confident | 88.4 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -74.7 | 75.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | D313 N317 A320 M321 L324 G414 | D313-A315 PolarHBondContact O-N 3.4Å; D313-A315 WeakPolarHBondContact OD1-CB 3.23Å; D313-A315 PolarHBondContact OD1-N 3.08Å; A315-N317 PolarHBondContact O-N 3.21Å; A315-A320 HydrophobicContact CB-CB 4.05Å; A315-M321 HydrophobicContact CB-CE 4.06Å; A315-M321 HydrophobicContact CB-SD 4.22Å; A315-M321 VanDerWaalsContact O-CE 3.29Å; A315-M321 WeakPolarHBondContact O-CE 3.31Å; A315-L324 HydrophobicContact CB-CB 4.05Å; A315-L324 HydrophobicContact CB-CD2 3.66Å; A315-G414 CarbonylContact C-O 3.6Å; A315-G414 VanDerWaalsContact C-O 3.29Å; A315-G414 PolarHBondContact N-O 2.7Å | ||
| 316 | H | 86 | Confident | 88.6 | Confident | 46 Ų | 46 | 44.6 Ų | 44.6 | 21% | 0.213 | 22% | 0.219 | C | C | . | . | trans | -91.7 | 10.4 | -170.2 | 66.7 | -82.8 | 0 | 0 | 0 | 115.1 | G314 G414 L416 | G314-H316 VanDerWaalsContact C-N 3.3Å; G314-H316 PolarHBondContact O-N 2.94Å; G314-H316 PolarHBondContact O-ND1 3.47Å; H316-G414 VanDerWaalsContact CA-O 3.29Å; H316-G414 WeakPolarHBondContact CA-O 3.46Å; H316-G414 WeakPolarHBondContact CB-O 3.38Å; H316-G414 PolarHBondContact N-O 2.76Å; H316-L416 WeakPolarHBondContact ND1-CD1 3.1Å | ||
| 317 | N | 84.8 | Confident | 88.9 | Confident | 52 Ų | 52 | 39.7 Ų | 39.7 | 28% | 0.278 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -152.1 | 164 | 177.5 | 67 | 58.8 | 0 | 0 | 0 | 110.9 | A315 H319 A320 M321 | A315-N317 PolarHBondContact O-N 3.21Å; N317-H319 VanDerWaalsContact C-N 3.3Å; N317-H319 PolarHBondContact O-N 3.4Å; N317-H319 WeakPolarHBondContact OD1-CB 3.13Å; N317-H319 PolarHBondContact OD1-N 2.91Å; N317-H319 VanDerWaalsContact OD1-N 3.11Å; N317-A320 PolarHBondContact O-N 3.34Å; N317-A320 PolarHBondContact OD1-N 3Å; N317-M321 WeakPolarHBondContact O-CB 3.25Å; N317-M321 PolarHBondContact O-N 3.13Å |
| 318 | G | 86.4 | Confident | 89.4 | Confident | 13 Ų | 13 | 30.9 Ų | 30.9 | 13% | 0.134 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -57.8 | -34.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | K322 L355 | G318-K322 WeakPolarHBondContact O-CB 3.13Å; G318-K322 PolarHBondContact O-N 3.14Å; G318-L355 WeakPolarHBondContact O-CD1 3.28Å |
| 319 | H | 81.1 | Confident | 89.6 | Confident | 117 Ų | 117 | 32.7 Ų | 32.7 | 54% | 0.542 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -68.4 | -47.9 | 177.4 | -68.6 | -78.9 | 0 | 0 | 0 | 111.9 | N317 M321 R323 | N317-H319 VanDerWaalsContact C-N 3.3Å; N317-H319 PolarHBondContact O-N 3.4Å; N317-H319 WeakPolarHBondContact OD1-CB 3.13Å; N317-H319 PolarHBondContact OD1-N 2.91Å; N317-H319 VanDerWaalsContact OD1-N 3.11Å; H319-M321 VanDerWaalsContact C-N 3.32Å; H319-R323 WeakPolarHBondContact O-CG 3.35Å; H319-R323 PolarHBondContact O-N 3.35Å |
| 320 | A | 85 | Confident | 89.4 | Confident | 23 Ų | 23 | 35.4 Ų | 35.4 | 19% | 0.19 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.3 | -39.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111 | A315 N317 K322 R323 L324 | A315-A320 HydrophobicContact CB-CB 4.05Å; N317-A320 PolarHBondContact O-N 3.34Å; N317-A320 PolarHBondContact OD1-N 3Å; A320-K322 PolarHBondContact O-N 2.91Å; A320-R323 WeakPolarHBondContact O-CB 3.48Å; A320-R323 PolarHBondContact O-N 3.36Å; A320-L324 PolarHBondContact O-N 3.17Å |
| 321 | M | 92.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.6 | -43.9 | 178.9 | -170.4 | 56.5 | 76.3 | 0 | 0 | 112.2 | A315 N317 H319 R323 L324 V325 F341 M352 L355 L356 T413 | A315-M321 HydrophobicContact CB-CE 4.06Å; A315-M321 HydrophobicContact CB-SD 4.22Å; A315-M321 VanDerWaalsContact O-CE 3.29Å; A315-M321 WeakPolarHBondContact O-CE 3.31Å; N317-M321 WeakPolarHBondContact O-CB 3.25Å; N317-M321 PolarHBondContact O-N 3.13Å; H319-M321 VanDerWaalsContact C-N 3.32Å; M321-R323 VanDerWaalsContact C-N 3.27Å; M321-R323 PolarHBondContact O-N 2.92Å; M321-L324 WeakPolarHBondContact O-CB 3.48Å; M321-L324 PolarHBondContact O-N 2.83Å; M321-L324 HydrophobicContact SD-CD2 3.89Å; M321-V325 VanDerWaalsContact O-CG2 3.31Å; M321-V325 WeakPolarHBondContact O-CG2 3.27Å; M321-V325 PolarHBondContact O-N 2.82Å; M321-F341 HydrophobicContact CE-CD2 4.14Å; M321-F341 HydrophobicContact CE-CE2 3.56Å; M321-M352 HydrophobicContact CB-CG 4.14Å; M321-M352 HydrophobicContact CE-CB 4.05Å; M321-M352 HydrophobicContact CE-CG 4.32Å; M321-M352 HydrophobicContact CE-SD 4.31Å; M321-M352 HydrophobicContact CG-CB 4.16Å; M321-M352 HydrophobicContact CG-CG 4.3Å; M321-L355 HydrophobicContact CB-CD1 3.95Å; M321-L355 HydrophobicContact CG-CB 3.82Å; M321-L355 HydrophobicContact CG-CD1 4.03Å; M321-L356 HydrophobicContact CE-CD1 3.98Å; M321-L356 HydrophobicContact CE-CD2 4.22Å; M321-L356 HydrophobicContact CE-CG 4.07Å; M321-L356 HydrophobicContact CG-CG 4.33Å; M321-L356 HydrophobicContact SD-CD1 4.13Å; M321-L356 HydrophobicContact SD-CD2 3.36Å; M321-L356 WeakPolarHBondContact SD-CD2 3.16Å; M321-L356 HydrophobicContact SD-CG 3.55Å; M321-L356 VanDerWaalsContact SD-CG 3.55Å; M321-T413 HydrophobicContact CE-CG2 4.46Å |
| 322 | K | 90.7 | Very high | 89.1 | Confident | 114 Ų | 114 | 36.7 Ų | 36.7 | 50% | 0.496 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -59.2 | -40.3 | 174.7 | -176 | 175.3 | -177.6 | 174.7 | 0 | 111.9 | G318 A320 E326 L355 | G318-K322 WeakPolarHBondContact O-CB 3.13Å; G318-K322 PolarHBondContact O-N 3.14Å; A320-K322 PolarHBondContact O-N 2.91Å; K322-E326 WeakPolarHBondContact O-CG 3.48Å; K322-E326 PolarHBondContact O-N 3.28Å; K322-E326 VanDerWaalsContact O-N 3.09Å; K322-L355 HydrophobicContact CB-CD1 4.23Å; K322-L355 HydrophobicContact CB-CD2 4.32Å; K322-L355 HydrophobicContact CG-CD2 4.5Å |
| 323 | R | 85.8 | Confident | 88.9 | Confident | 104 Ų | 104 | 44.5 Ų | 44.5 | 39% | 0.392 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -64.9 | -44.5 | 176 | -69.5 | -70.6 | 88 | -177.4 | 12.4 | 111.9 | H319 A320 M321 E326 N327 | H319-R323 WeakPolarHBondContact O-CG 3.35Å; H319-R323 PolarHBondContact O-N 3.35Å; A320-R323 WeakPolarHBondContact O-CB 3.48Å; A320-R323 PolarHBondContact O-N 3.36Å; M321-R323 VanDerWaalsContact C-N 3.27Å; M321-R323 PolarHBondContact O-N 2.92Å; R323-E326 IonicContact CZ-OE1 3.75Å; R323-E326 IonicContact CZ-OE2 3.27Å; R323-E326 IonicContact NE-OE1 3.06Å; R323-E326 IonicContact NE-OE2 3.22Å; R323-E326 IonicContact NH1-OE2 2.7Å; R323-E326 PolarHBondContact NH1-OE2 2.79Å; R323-E326 IonicContact NH2-OE1 3.71Å; R323-E326 PolarHBondContact NH2-OE1 2.92Å; R323-E326 IonicContact NH2-OE2 3.32Å; R323-E326 PolarHBondContact NH2-OE2 2.85Å; R323-E326 PolarHBondContact O-N 3.32Å; R323-N327 PolarHBondContact O-N 2.97Å; R323-N327 PolarHBondContact O-ND2 2.8Å |
| 324 | L | 92 | Very high | 88.9 | Confident | 2 Ų | 2 | 49.7 Ų | 49.7 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -57 | -53.2 | 175.5 | 172.7 | 58.6 | 0 | 0 | 0 | 111 | M301 D313 A315 A320 M321 E326 N327 V328 L411 T413 | M301-L324 HydrophobicContact CG-CD1 4.48Å; M301-L324 HydrophobicContact SD-CD1 3.25Å; M301-L324 WeakPolarHBondContact SD-CD1 2.93Å; D313-L324 HydrophobicContact CB-CD1 3.85Å; D313-L324 HydrophobicContact CB-CD2 4.22Å; A315-L324 HydrophobicContact CB-CB 4.05Å; A315-L324 HydrophobicContact CB-CD2 3.66Å; A320-L324 PolarHBondContact O-N 3.17Å; M321-L324 WeakPolarHBondContact O-CB 3.48Å; M321-L324 PolarHBondContact O-N 2.83Å; M321-L324 HydrophobicContact SD-CD2 3.89Å; L324-E326 VanDerWaalsContact C-N 3.3Å; L324-E326 PolarHBondContact O-N 3.24Å; L324-N327 WeakPolarHBondContact O-CA 3.38Å; L324-N327 WeakPolarHBondContact O-CB 3.38Å; L324-N327 PolarHBondContact O-N 3.19Å; L324-V328 HydrophobicContact CD1-CG2 3.81Å; L324-V328 HydrophobicContact CG-CG2 4.33Å; L324-V328 WeakPolarHBondContact O-CG2 3.28Å; L324-V328 PolarHBondContact O-N 2.75Å; L324-L411 HydrophobicContact CD1-CD1 4.11Å; L324-L411 HydrophobicContact CD1-CD2 4.13Å; L324-L411 HydrophobicContact CD2-CD2 4.17Å; L324-L411 HydrophobicContact CG-CD2 4.32Å; L324-T413 HydrophobicContact CD2-CG2 3.89Å; L324-T413 WeakPolarHBondContact CD2-OG1 3.29Å |
| 325 | V | 94.7 | Very high | 89.1 | Confident | 2 Ų | 2 | 53.1 Ų | 53.1 | 1% | 0.012 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -56.2 | -43.4 | 179.1 | 169.5 | 0 | 0 | 0 | 0 | 111.8 | M321 N327 V328 K329 L355 L356 E358 I359 | M321-V325 VanDerWaalsContact O-CG2 3.31Å; M321-V325 WeakPolarHBondContact O-CG2 3.27Å; M321-V325 PolarHBondContact O-N 2.82Å; V325-N327 VanDerWaalsContact C-N 3.32Å; V325-N327 PolarHBondContact O-N 3.2Å; V325-V328 PolarHBondContact O-N 3Å; V325-K329 HydrophobicContact CG1-CD 3.83Å; V325-K329 HydrophobicContact CG1-CG 4.36Å; V325-K329 WeakPolarHBondContact O-CB 3.38Å; V325-K329 VanDerWaalsContact O-CG 3.26Å; V325-K329 WeakPolarHBondContact O-CG 3.44Å; V325-K329 PolarHBondContact O-N 3.09Å; V325-L355 HydrophobicContact CG2-CB 4.24Å; V325-L355 VanDerWaalsContact CG2-O 3.27Å; V325-L355 WeakPolarHBondContact CG2-O 3.07Å; V325-L356 HydrophobicContact CG2-CD2 4.25Å; V325-E358 HydrophobicContact CG1-CB 4.38Å; V325-I359 HydrophobicContact CG1-CG1 4.02Å; V325-I359 HydrophobicContact CG2-CD1 4.17Å; V325-I359 HydrophobicContact CG2-CG1 4.36Å |
| 326 | E | 91.5 | Very high | 89.3 | Confident | 68 Ų | 68 | 57.1 Ų | 57.1 | 32% | 0.318 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -66.3 | -31 | 176.7 | -76 | -179.7 | -142.3 | 0 | 0 | 113.9 | K322 R323 L324 R330 | K322-E326 WeakPolarHBondContact O-CG 3.48Å; K322-E326 PolarHBondContact O-N 3.28Å; K322-E326 VanDerWaalsContact O-N 3.09Å; R323-E326 IonicContact CZ-OE1 3.75Å; R323-E326 IonicContact CZ-OE2 3.27Å; R323-E326 IonicContact NE-OE1 3.06Å; R323-E326 IonicContact NE-OE2 3.22Å; R323-E326 IonicContact NH1-OE2 2.7Å; R323-E326 PolarHBondContact NH1-OE2 2.79Å; R323-E326 IonicContact NH2-OE1 3.71Å; R323-E326 PolarHBondContact NH2-OE1 2.92Å; R323-E326 IonicContact NH2-OE2 3.32Å; R323-E326 PolarHBondContact NH2-OE2 2.85Å; R323-E326 PolarHBondContact O-N 3.32Å; L324-E326 VanDerWaalsContact C-N 3.3Å; L324-E326 PolarHBondContact O-N 3.24Å; E326-R330 WeakPolarHBondContact O-CB 3.46Å; E326-R330 PolarHBondContact O-NH1 2.99Å; E326-R330 VanDerWaalsContact O-NH1 3.16Å |
| 327 | N | 89.8 | Confident | 89.7 | Confident | 5 Ų | 5 | 55 Ų | 55 | 3% | 0.027 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -73 | -48.5 | 173 | -67.3 | -29.7 | 0 | 0 | 0 | 110.7 | M301 R323 L324 V325 K329 R330 E331 | M301-N327 HydrophobicContact CE-CB 3.83Å; M301-N327 HydrophobicContact SD-CB 4.19Å; R323-N327 PolarHBondContact O-N 2.97Å; R323-N327 PolarHBondContact O-ND2 2.8Å; L324-N327 WeakPolarHBondContact O-CA 3.38Å; L324-N327 WeakPolarHBondContact O-CB 3.38Å; L324-N327 PolarHBondContact O-N 3.19Å; V325-N327 VanDerWaalsContact C-N 3.32Å; V325-N327 PolarHBondContact O-N 3.2Å; N327-K329 PolarHBondContact O-N 3.19Å; N327-R330 PolarHBondContact O-N 2.95Å; N327-R330 PolarHBondContact OD1-NH1 3.07Å; N327-R330 PolarHBondContact OD1-NH2 3.35Å; N327-E331 WeakPolarHBondContact O-CG 3.25Å; N327-E331 PolarHBondContact O-N 3.33Å |
| 328 | V | 93 | Very high | 90.2 | Very high | 2 Ų | 2 | 53.5 Ų | 53.5 | 1% | 0.012 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.7 | -48.2 | -178.5 | 175 | 0 | 0 | 0 | 0 | 111.3 | M301 L324 V325 R330 F332 I337 I359 L411 | M301-V328 HydrophobicContact CE-CG2 4.5Å; L324-V328 HydrophobicContact CD1-CG2 3.81Å; L324-V328 HydrophobicContact CG-CG2 4.33Å; L324-V328 WeakPolarHBondContact O-CG2 3.28Å; L324-V328 PolarHBondContact O-N 2.75Å; V325-V328 PolarHBondContact O-N 3Å; V328-R330 PolarHBondContact O-N 3.28Å; V328-R330 VanDerWaalsContact O-N 3.08Å; V328-F332 HydrophobicContact CG1-CD2 4.47Å; V328-F332 CarbonylContact O-C 3.57Å; V328-F332 WeakPolarHBondContact O-CA 3.36Å; V328-F332 PolarHBondContact O-N 3.27Å; V328-I337 HydrophobicContact CG1-CD1 4.25Å; V328-I337 HydrophobicContact CG1-CG1 4.16Å; V328-I337 HydrophobicContact CG1-CG2 4.25Å; V328-I359 HydrophobicContact CB-CD1 4.15Å; V328-I359 HydrophobicContact CG1-CD1 3.91Å; V328-I359 HydrophobicContact CG1-CG1 4.42Å; V328-I359 HydrophobicContact CG1-CG2 4.13Å; V328-L411 HydrophobicContact CG2-CD2 3.84Å |
| 329 | K | 92.3 | Very high | 90.7 | Very high | 77 Ų | 77 | 52.9 Ų | 52.9 | 34% | 0.335 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -57.9 | -25.2 | 176.4 | -75.6 | 174 | 172.2 | -178.8 | 0 | 113.9 | V325 N327 E358 I359 | V325-K329 HydrophobicContact CG1-CD 3.83Å; V325-K329 HydrophobicContact CG1-CG 4.36Å; V325-K329 WeakPolarHBondContact O-CB 3.38Å; V325-K329 VanDerWaalsContact O-CG 3.26Å; V325-K329 WeakPolarHBondContact O-CG 3.44Å; V325-K329 PolarHBondContact O-N 3.09Å; N327-K329 PolarHBondContact O-N 3.19Å; K329-E358 WeakPolarHBondContact CE-O 3.01Å; K329-E358 PolarHBondContact NZ-O 3.32Å; K329-E358 VanDerWaalsContact NZ-O 3.14Å; K329-E358 IonicContact NZ-OE2 2.69Å; K329-E358 PolarHBondContact NZ-OE2 3.16Å; K329-I359 HydrophobicContact CG-CG1 4.36Å |
| 330 | R | 86.2 | Confident | 91.3 | Very high | 77 Ų | 77 | 47.6 Ų | 47.6 | 29% | 0.291 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -94.5 | -49.7 | -175.4 | -174.3 | 177.9 | 67.9 | -102.9 | -10.3 | 111.7 | E326 N327 V328 | E326-R330 WeakPolarHBondContact O-CB 3.46Å; E326-R330 PolarHBondContact O-NH1 2.99Å; E326-R330 VanDerWaalsContact O-NH1 3.16Å; N327-R330 PolarHBondContact O-N 2.95Å; N327-R330 PolarHBondContact OD1-NH1 3.07Å; N327-R330 PolarHBondContact OD1-NH2 3.35Å; V328-R330 PolarHBondContact O-N 3.28Å; V328-R330 VanDerWaalsContact O-N 3.08Å |
| 331 | E | 87 | Confident | 91.7 | Very high | 33 Ų | 33 | 46.5 Ų | 46.5 | 15% | 0.154 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -83.7 | -31.4 | -173.2 | -54.5 | -49.2 | 145.9 | 0 | 0 | 112.4 | P232 N327 | P232-E331 WeakPolarHBondContact CB-OE2 3.25Å; P232-E331 WeakPolarHBondContact CG-OE2 3.46Å; N327-E331 WeakPolarHBondContact O-CG 3.25Å; N327-E331 PolarHBondContact O-N 3.33Å |
| 332 | F | 90 | Very high | 91.8 | Very high | 16 Ų | 16 | 46.5 Ų | 46.5 | 7% | 0.07 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -121.8 | 31.1 | -171.5 | -52.7 | -62.1 | 0 | 0 | 0 | 112.9 | W236 L257 M301 L309 V311 V328 D334 Y335 I337 L409 | W236-F332 HydrophobicContact CH2-CZ 4.09Å; W236-F332 HydrophobicContact CZ3-CE1 4.34Å; W236-F332 AromaticContact CZ3-CZ 3.97Å; W236-F332 HydrophobicContact CZ3-CZ 3.97Å; L257-F332 HydrophobicContact CD1-CE2 4.16Å; L257-F332 HydrophobicContact CD1-CZ 3.71Å; M301-F332 HydrophobicContact CE-CD2 4.42Å; M301-F332 HydrophobicContact CE-CE2 3.62Å; M301-F332 HydrophobicContact CE-CZ 4.49Å; L309-F332 HydrophobicContact CD2-CD1 4.44Å; L309-F332 HydrophobicContact CD2-CE1 4.09Å; V311-F332 HydrophobicContact CG2-CE2 4.47Å; V311-F332 HydrophobicContact CG2-CZ 4.17Å; V328-F332 HydrophobicContact CG1-CD2 4.47Å; V328-F332 CarbonylContact O-C 3.57Å; V328-F332 WeakPolarHBondContact O-CA 3.36Å; V328-F332 PolarHBondContact O-N 3.27Å; F332-D334 PolarHBondContact O-N 2.96Å; F332-D334 VanDerWaalsContact O-N 3.15Å; F332-Y335 HydrophobicContact CB-CD2 4.03Å; F332-Y335 HydrophobicContact CB-CG 4.45Å; F332-Y335 HydrophobicContact CD1-CD2 4.04Å; F332-Y335 HydrophobicContact CD1-CE2 4.09Å; F332-Y335 PolarHBondContact O-N 3.35Å; F332-I337 HydrophobicContact CB-CD1 3.79Å; F332-L409 HydrophobicContact CB-CD1 4.07Å; F332-L409 HydrophobicContact CD1-CD1 3.47Å; F332-L409 VanDerWaalsContact CD1-CD1 3.47Å; F332-L409 HydrophobicContact CD2-CD1 3.55Å; F332-L409 HydrophobicContact CE1-CD1 3.67Å; F332-L409 HydrophobicContact CE2-CD1 3.73Å; F332-L409 HydrophobicContact CG-CD1 3.42Å; F332-L409 VanDerWaalsContact CG-CD1 3.42Å; F332-L409 HydrophobicContact CZ-CD1 3.8Å |
| 333 | R | 88.6 | Confident | 91.9 | Very high | 173 Ų | 173 | 41.1 Ų | 41.1 | 65% | 0.653 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -26.5 | -177 | 73.5 | -174.7 | -175.6 | -179.5 | -2.6 | 114.3 | ||
| 334 | D | 90 | Very high | 92.2 | Very high | 119 Ų | 119 | 37.1 Ų | 37.1 | 64% | 0.636 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.9 | 0.6 | -174 | -61.9 | -48.3 | 0 | 0 | 0 | 111.7 | F332 | F332-D334 PolarHBondContact O-N 2.96Å; F332-D334 VanDerWaalsContact O-N 3.15Å |
| 335 | Y | 93.4 | Very high | 92 | Very high | 72 Ų | 72 | 39.8 Ų | 39.8 | 28% | 0.282 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -96.1 | 153.5 | 177.5 | -74.6 | -99.4 | 0 | 0 | 0 | 111.7 | L309 F332 D407 L409 | L309-Y335 HydrophobicContact CD2-CD1 4.39Å; L309-Y335 HydrophobicContact CD2-CE1 3.73Å; F332-Y335 HydrophobicContact CB-CD2 4.03Å; F332-Y335 HydrophobicContact CB-CG 4.45Å; F332-Y335 HydrophobicContact CD1-CD2 4.04Å; F332-Y335 HydrophobicContact CD1-CE2 4.09Å; F332-Y335 PolarHBondContact O-N 3.35Å; Y335-D407 CarbonylContact C-O 3.56Å; Y335-D407 WeakPolarHBondContact CA-O 3.36Å; Y335-D407 WeakPolarHBondContact CB-O 3.38Å; Y335-D407 VanDerWaalsContact CD1-O 3.29Å; Y335-D407 WeakPolarHBondContact CD1-O 3.4Å; Y335-L409 HydrophobicContact CD1-CB 3.97Å; Y335-L409 HydrophobicContact CG-CB 4.27Å |
| 336 | N | 94.5 | Very high | 91.5 | Very high | 84 Ų | 84 | 43.6 Ų | 43.6 | 45% | 0.449 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 129.8 | 156.5 | -46.2 | -59.3 | 0 | 0 | 0 | 108.2 | D407 D408 L409 | N336-D407 PolarHBondContact N-O 2.88Å; N336-D408 VanDerWaalsContact CB-OD1 3.25Å; N336-D408 WeakPolarHBondContact CB-OD1 3.29Å; N336-D408 PolarHBondContact ND2-OD1 2.58Å; N336-L409 PolarHBondContact O-N 3.18Å |
| 337 | I | 95.6 | Very high | 91.3 | Very high | 3 Ų | 3 | 44.8 Ų | 44.8 | 2% | 0.015 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 106.1 | -170.7 | -49 | -60 | 0 | 0 | 0 | 109.3 | V328 F332 I339 I359 N361 A362 H363 L409 L411 | V328-I337 HydrophobicContact CG1-CD1 4.25Å; V328-I337 HydrophobicContact CG1-CG1 4.16Å; V328-I337 HydrophobicContact CG1-CG2 4.25Å; F332-I337 HydrophobicContact CB-CD1 3.79Å; I337-I339 HydrophobicContact CG2-CD1 4.02Å; I337-I339 HydrophobicContact CG2-CG1 3.64Å; I337-I359 HydrophobicContact CB-CG2 4.48Å; I337-I359 HydrophobicContact CG1-CG2 4.17Å; I337-N361 PolarHBondContact N-O 3.11Å; I337-A362 HydrophobicContact CB-CB 4.38Å; I337-A362 CarbonylContact O-C 3.52Å; I337-A362 WeakPolarHBondContact O-CA 3.48Å; I337-H363 PolarHBondContact O-N 3.42Å; I337-L409 HydrophobicContact CD1-CB 3.94Å; I337-L409 HydrophobicContact CD1-CD1 4.46Å; I337-L409 HydrophobicContact CD1-CD2 4.19Å; I337-L409 HydrophobicContact CD1-CG 4.43Å; I337-L409 HydrophobicContact CG2-CD2 4.06Å; I337-L411 HydrophobicContact CG2-CB 4.4Å |
| 338 | N | 95 | Very high | 91.3 | Very high | 20 Ų | 20 | 48.6 Ų | 48.6 | 11% | 0.107 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 122.4 | 168.5 | -66.9 | -64.8 | 0 | 0 | 0 | 108.7 | H363 Y365 L400 L409 L410 L411 | N338-H363 CarbonylContact C-O 3.58Å; N338-Y365 HydrophobicContact CB-CE2 3.93Å; N338-L400 HydrophobicContact CB-CD1 3.95Å; N338-L400 HydrophobicContact CB-CD2 4.04Å; N338-L400 HydrophobicContact CB-CG 4.42Å; N338-L409 PolarHBondContact N-O 2.79Å; N338-L410 HydrophobicContact CB-CD1 4.26Å; N338-L410 CarbonylContact O-C 3.54Å; N338-L410 WeakPolarHBondContact O-CA 3.25Å; N338-L410 WeakPolarHBondContact O-CD1 3.13Å; N338-L411 PolarHBondContact O-N 2.87Å |
| 339 | I | 95.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 108.9 | -174.9 | -52.2 | -175.2 | 0 | 0 | 0 | 109.3 | I337 F341 L356 I359 A362 H363 I364 Y365 L411 T413 | I337-I339 HydrophobicContact CG2-CD1 4.02Å; I337-I339 HydrophobicContact CG2-CG1 3.64Å; I339-F341 HydrophobicContact CG2-CB 4.39Å; I339-L356 HydrophobicContact CD1-CD2 4.04Å; I339-L356 HydrophobicContact CG2-CD1 4.3Å; I339-L356 HydrophobicContact CG2-CD2 4.37Å; I339-I359 HydrophobicContact CD1-CD1 3.77Å; I339-A362 HydrophobicContact CD1-CB 3.77Å; I339-A362 HydrophobicContact CG1-CB 4.36Å; I339-H363 PolarHBondContact N-O 3.17Å; I339-I364 HydrophobicContact CB-CG1 4.29Å; I339-I364 HydrophobicContact CD1-CG1 4.3Å; I339-I364 CarbonylContact O-C 3.52Å; I339-I364 WeakPolarHBondContact O-CA 3.31Å; I339-Y365 PolarHBondContact O-N 3.11Å; I339-L411 CarbonylContact C-O 3.53Å; I339-L411 VanDerWaalsContact CA-O 3.31Å; I339-L411 WeakPolarHBondContact CA-O 3.28Å; I339-L411 HydrophobicContact CD1-CD2 4.29Å; I339-L411 HydrophobicContact CG1-CB 4.33Å; I339-L411 HydrophobicContact CG1-CD2 4.31Å; I339-L411 HydrophobicContact CG2-CD2 4.35Å; I339-L411 HydrophobicContact CG2-CG 4.45Å; I339-T413 HydrophobicContact CG2-CG2 3.79Å |
| 340 | L | 93.9 | Very high | 91.3 | Very high | 5 Ų | 5 | 49.5 Ų | 49.5 | 3% | 0.026 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 111.8 | 168.8 | -176 | 64 | 0 | 0 | 0 | 109.1 | T367 W393 L410 L411 I412 T413 F418 | L340-T367 HydrophobicContact CD1-CG2 3.78Å; L340-T367 HydrophobicContact CG-CG2 4.29Å; L340-W393 HydrophobicContact CD1-CB 4.24Å; L340-W393 HydrophobicContact CD2-CB 4.29Å; L340-W393 HydrophobicContact CD2-CE3 4.28Å; L340-L410 HydrophobicContact CB-CD1 4.16Å; L340-L411 PolarHBondContact N-O 2.94Å; L340-I412 HydrophobicContact CB-CG1 4.44Å; L340-I412 HydrophobicContact CD2-CG2 4.47Å; L340-I412 WeakPolarHBondContact O-CA 3.43Å; L340-T413 PolarHBondContact O-N 3.26Å; L340-F418 HydrophobicContact CD2-CE1 4.44Å; L340-F418 HydrophobicContact CD2-CZ 3.86Å; L340-F418 HydrophobicContact CG-CE1 4.18Å; L340-F418 HydrophobicContact CG-CZ 3.88Å |
| 341 | F | 94.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 132.2 | -173.1 | 178.1 | -95.6 | 0 | 0 | 0 | 112.5 | M321 I339 A343 V349 M352 L353 L356 I364 Y365 L366 T367 T413 | M321-F341 HydrophobicContact CE-CD2 4.14Å; M321-F341 HydrophobicContact CE-CE2 3.56Å; I339-F341 HydrophobicContact CG2-CB 4.39Å; F341-A343 HydrophobicContact CE1-CB 3.88Å; F341-A343 HydrophobicContact CZ-CB 3.69Å; F341-V349 HydrophobicContact CE1-CG1 4.17Å; F341-M352 HydrophobicContact CE2-CB 4.49Å; F341-M352 HydrophobicContact CZ-CB 4.15Å; F341-M352 HydrophobicContact CZ-CE 4.09Å; F341-M352 HydrophobicContact CZ-SD 4.43Å; F341-L353 HydrophobicContact CD1-CD2 3.57Å; F341-L353 HydrophobicContact CE1-CD2 3.56Å; F341-L353 HydrophobicContact CE1-CG 4.32Å; F341-L353 HydrophobicContact CG-CD2 4.24Å; F341-L353 HydrophobicContact CZ-CD2 4.23Å; F341-L356 HydrophobicContact CB-CD1 4.41Å; F341-L356 HydrophobicContact CD2-CD1 3.7Å; F341-L356 HydrophobicContact CE2-CD1 4.12Å; F341-L356 HydrophobicContact CG-CD1 4.06Å; F341-I364 HydrophobicContact CB-CG2 4.42Å; F341-Y365 PolarHBondContact N-O 2.65Å; F341-L366 HydrophobicContact CB-CD2 4.37Å; F341-L366 HydrophobicContact CD1-CD2 3.77Å; F341-T367 PolarHBondContact O-N 3.3Å; F341-T413 WeakPolarHBondContact CA-O 3.19Å; F341-T413 HydrophobicContact CD2-CG2 3.96Å |
| 342 | S | 94.1 | Very high | 92 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 151.4 | 164.6 | -161.6 | 0 | 0 | 0 | 0 | 111.4 | T367 F369 T413 G414 S415 | S342-T367 VanDerWaalsContact CB-O 3.25Å; S342-T367 WeakPolarHBondContact CB-O 3.05Å; S342-T367 PolarHBondContact OG-O 3.47Å; S342-F369 VanDerWaalsContact OG-CD1 3.27Å; S342-F369 WeakPolarHBondContact OG-CD1 3.37Å; S342-F369 WeakPolarHBondContact OG-CE1 3.34Å; S342-T413 PolarHBondContact N-O 2.91Å; S342-G414 CarbonylContact O-C 3.53Å; S342-G414 VanDerWaalsContact O-CA 3.29Å; S342-G414 WeakPolarHBondContact O-CA 3.5Å; S342-S415 PolarHBondContact O-N 3.1Å |
| 343 | A | 93.1 | Very high | 92.2 | Very high | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.008 | 24% | 0.236 | C | C | . | . | trans | -142.1 | 171.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | F341 V349 M352 L375 | F341-A343 HydrophobicContact CE1-CB 3.88Å; F341-A343 HydrophobicContact CZ-CB 3.69Å; A343-V349 HydrophobicContact CB-CG2 3.97Å; A343-M352 HydrophobicContact CB-CE 3.96Å; A343-L375 PolarHBondContact O-N 2.87Å | ||
| 344 | L | 90.3 | Very high | 92.5 | Very high | 21 Ų | 21 | 43.2 Ų | 43.2 | 11% | 0.11 | 23% | 0.229 | C | C | . | . | B | Isolated β-bridge | trans | -90.8 | 138.1 | 165.2 | -60 | 179.5 | 0 | 0 | 0 | 109.5 | T346 K347 F369 Y371 K373 Y417 | L344-T346 PolarHBondContact O-N 3.27Å; L344-K347 HydrophobicContact CB-CG 4.47Å; L344-K347 WeakPolarHBondContact O-CB 3.44Å; L344-K347 PolarHBondContact O-N 3.44Å; L344-F369 HydrophobicContact CD2-CZ 3.9Å; L344-Y371 HydrophobicContact CD1-CE1 4.28Å; L344-Y371 HydrophobicContact CD2-CD1 3.49Å; L344-Y371 VanDerWaalsContact CD2-CD1 3.49Å; L344-Y371 HydrophobicContact CD2-CE1 3.96Å; L344-Y371 HydrophobicContact CD2-CG 4.41Å; L344-K373 CarbonylContact C-O 3.44Å; L344-K373 VanDerWaalsContact CA-O 3.29Å; L344-K373 WeakPolarHBondContact CA-O 3.19Å; L344-Y417 HydrophobicContact CD1-CD2 3.99Å; L344-Y417 HydrophobicContact CD1-CE2 4Å |
| 345 | E | 88.5 | Confident | 92.8 | Very high | 57 Ų | 57 | 38.7 Ų | 38.7 | 27% | 0.266 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -20.2 | 175.6 | -74 | -66.6 | 149.9 | 0 | 0 | 113.5 | K347 K373 L375 D376 R379 | E345-K347 PolarHBondContact O-N 2.68Å; E345-K373 HydrophobicContact CB-CB 4.37Å; E345-K373 PolarHBondContact N-O 3.1Å; E345-L375 WeakPolarHBondContact OE1-CA 3.4Å; E345-L375 WeakPolarHBondContact OE1-CD1 3.08Å; E345-D376 PolarHBondContact OE1-N 3.04Å; E345-R379 IonicContact OE1-NH1 2.67Å; E345-R379 IonicContact OE2-CZ 2.9Å; E345-R379 IonicContact OE2-NH1 2.65Å; E345-R379 PolarHBondContact OE2-NH1 3.15Å |
| 346 | T | 84.1 | Confident | 92.9 | Very high | 83 Ų | 83 | 35.3 Ų | 35.3 | 51% | 0.509 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -5.3 | 175.4 | 61.9 | 0 | 0 | 0 | 0 | 114.4 | L344 K373 | L344-T346 PolarHBondContact O-N 3.27Å; T346-K373 HydrophobicContact CG2-CD 3.48Å; T346-K373 VanDerWaalsContact CG2-CD 3.48Å |
| 347 | K | 87.2 | Confident | 92.9 | Very high | 92 Ų | 92 | 32.4 Ų | 32.4 | 40% | 0.4 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -106.5 | 163.5 | -178.6 | -57.2 | -62.8 | 179.6 | 179.5 | 0 | 110.7 | L344 E345 V349 M352 | L344-K347 HydrophobicContact CB-CG 4.47Å; L344-K347 WeakPolarHBondContact O-CB 3.44Å; L344-K347 PolarHBondContact O-N 3.44Å; E345-K347 PolarHBondContact O-N 2.68Å; K347-V349 PolarHBondContact O-N 3.44Å; K347-M352 HydrophobicContact CB-CE 3.82Å |
| 348 | D | 90.1 | Very high | 92.9 | Very high | 86 Ų | 86 | 37.2 Ų | 37.2 | 46% | 0.46 | 20% | 0.2 | S | C | . | . | trans | -76.5 | 78.6 | 173.6 | -167.6 | -18.2 | 0 | 0 | 0 | 110 | D350 Q351 M352 | D348-D350 VanDerWaalsContact C-N 3.33Å; D348-Q351 HydrophobicContact CB-CB 4.12Å; D348-Q351 VanDerWaalsContact OD1-CB 3.24Å; D348-Q351 WeakPolarHBondContact OD1-CB 3.46Å; D348-Q351 PolarHBondContact OD1-N 2.83Å; D348-Q351 WeakPolarHBondContact OD2-CB 3.27Å; D348-M352 WeakPolarHBondContact O-CG 3.32Å; D348-M352 PolarHBondContact O-N 3.15Å | ||
| 349 | V | 92.5 | Very high | 92.9 | Very high | 3 Ų | 3 | 36.6 Ų | 36.6 | 2% | 0.018 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.5 | -42.7 | -178.4 | 179.4 | 0 | 0 | 0 | 0 | 110.8 | F341 A343 K347 Q351 M352 L353 L375 F380 | F341-V349 HydrophobicContact CE1-CG1 4.17Å; A343-V349 HydrophobicContact CB-CG2 3.97Å; K347-V349 PolarHBondContact O-N 3.44Å; V349-Q351 VanDerWaalsContact C-N 3.34Å; V349-Q351 PolarHBondContact O-N 3.06Å; V349-M352 HydrophobicContact CG2-CE 4.31Å; V349-M352 PolarHBondContact O-N 3.07Å; V349-M352 VanDerWaalsContact O-N 3.08Å; V349-L353 HydrophobicContact CG1-CD1 3.95Å; V349-L353 HydrophobicContact CG1-CG 4.05Å; V349-L353 WeakPolarHBondContact O-CG 3.45Å; V349-L353 PolarHBondContact O-N 3.22Å; V349-L375 HydrophobicContact CB-CD1 4.42Å; V349-L375 HydrophobicContact CG1-CD1 3.79Å; V349-L375 HydrophobicContact CG2-CD1 3.94Å; V349-F380 HydrophobicContact CG1-CZ 4.12Å |
| 350 | D | 92.3 | Very high | 92.7 | Very high | 95 Ų | 95 | 41.6 Ų | 41.6 | 51% | 0.508 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61.5 | -42.6 | -177.7 | -60.4 | -36.6 | 0 | 0 | 0 | 111.2 | D348 A354 R379 | D348-D350 VanDerWaalsContact C-N 3.33Å; D350-A354 WeakPolarHBondContact O-CB 3.48Å; D350-A354 PolarHBondContact O-N 3.3Å; D350-R379 IonicContact OD1-NH2 2.77Å; D350-R379 IonicContact OD2-NH2 3.91Å |
| 351 | Q | 93.6 | Very high | 92.5 | Very high | 94 Ų | 94 | 45 Ų | 45 | 44% | 0.439 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62.4 | -42.7 | 173.2 | 179.3 | -178 | 74.4 | 0 | 0 | 112.4 | D348 V349 A354 L355 | D348-Q351 HydrophobicContact CB-CB 4.12Å; D348-Q351 VanDerWaalsContact OD1-CB 3.24Å; D348-Q351 WeakPolarHBondContact OD1-CB 3.46Å; D348-Q351 PolarHBondContact OD1-N 2.83Å; D348-Q351 WeakPolarHBondContact OD2-CB 3.27Å; V349-Q351 VanDerWaalsContact C-N 3.34Å; V349-Q351 PolarHBondContact O-N 3.06Å; Q351-A354 PolarHBondContact O-N 3.18Å; Q351-L355 HydrophobicContact CG-CD1 4.26Å; Q351-L355 WeakPolarHBondContact O-CG 3.18Å; Q351-L355 PolarHBondContact O-N 2.87Å |
| 352 | M | 94.6 | Very high | 92.5 | Very high | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.8 | -44.4 | 180 | -72.3 | -173.6 | -68.2 | 0 | 0 | 111.7 | M321 F341 A343 K347 D348 V349 L355 L356 | M321-M352 HydrophobicContact CB-CG 4.14Å; M321-M352 HydrophobicContact CE-CB 4.05Å; M321-M352 HydrophobicContact CE-CG 4.32Å; M321-M352 HydrophobicContact CE-SD 4.31Å; M321-M352 HydrophobicContact CG-CB 4.16Å; M321-M352 HydrophobicContact CG-CG 4.3Å; F341-M352 HydrophobicContact CE2-CB 4.49Å; F341-M352 HydrophobicContact CZ-CB 4.15Å; F341-M352 HydrophobicContact CZ-CE 4.09Å; F341-M352 HydrophobicContact CZ-SD 4.43Å; A343-M352 HydrophobicContact CB-CE 3.96Å; K347-M352 HydrophobicContact CB-CE 3.82Å; D348-M352 WeakPolarHBondContact O-CG 3.32Å; D348-M352 PolarHBondContact O-N 3.15Å; V349-M352 HydrophobicContact CG2-CE 4.31Å; V349-M352 PolarHBondContact O-N 3.07Å; V349-M352 VanDerWaalsContact O-N 3.08Å; M352-L355 PolarHBondContact O-N 3.07Å; M352-L356 WeakPolarHBondContact O-CG 3.43Å; M352-L356 PolarHBondContact O-N 2.84Å |
| 353 | L | 94.5 | Very high | 92.5 | Very high | 11 Ų | 11 | 48 Ų | 48 | 6% | 0.058 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.5 | -42.2 | 176 | -64.9 | -176.2 | 0 | 0 | 0 | 111.4 | F341 V349 L355 L356 S357 L366 F380 F387 | F341-L353 HydrophobicContact CD1-CD2 3.57Å; F341-L353 HydrophobicContact CE1-CD2 3.56Å; F341-L353 HydrophobicContact CE1-CG 4.32Å; F341-L353 HydrophobicContact CG-CD2 4.24Å; F341-L353 HydrophobicContact CZ-CD2 4.23Å; V349-L353 HydrophobicContact CG1-CD1 3.95Å; V349-L353 HydrophobicContact CG1-CG 4.05Å; V349-L353 WeakPolarHBondContact O-CG 3.45Å; V349-L353 PolarHBondContact O-N 3.22Å; L353-L355 VanDerWaalsContact C-N 3.28Å; L353-L355 PolarHBondContact O-N 2.95Å; L353-L356 HydrophobicContact CD2-CD1 4.32Å; L353-L356 PolarHBondContact O-N 2.92Å; L353-L356 VanDerWaalsContact O-N 3.17Å; L353-S357 PolarHBondContact O-N 3.36Å; L353-S357 PolarHBondContact O-OG 2.94Å; L353-L366 HydrophobicContact CD1-CD1 4.31Å; L353-L366 HydrophobicContact CD1-CD2 4.24Å; L353-L366 HydrophobicContact CD2-CD2 3.57Å; L353-F380 HydrophobicContact CD1-CD1 4.43Å; L353-F380 HydrophobicContact CD1-CE1 3.51Å; L353-F380 HydrophobicContact CD1-CZ 3.96Å; L353-F387 HydrophobicContact CB-CE1 4.19Å; L353-F387 HydrophobicContact CB-CZ 4.45Å; L353-F387 HydrophobicContact CD1-CE1 4.33Å; L353-F387 HydrophobicContact CD2-CE1 4.19Å; L353-F387 HydrophobicContact CG-CE1 4.46Å |
| 354 | A | 94.3 | Very high | 92.6 | Very high | 61 Ų | 61 | 48 Ų | 48 | 50% | 0.504 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -58.6 | -40 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | D350 Q351 | D350-A354 WeakPolarHBondContact O-CB 3.48Å; D350-A354 PolarHBondContact O-N 3.3Å; Q351-A354 PolarHBondContact O-N 3.18Å |
| 355 | L | 96.3 | Very high | 92.7 | Very high | 24 Ų | 24 | 48.5 Ų | 48.5 | 13% | 0.126 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.5 | -44.7 | 174.9 | -72.7 | 167.3 | 0 | 0 | 0 | 111.7 | G318 M321 K322 V325 Q351 M352 L353 S357 E358 | G318-L355 WeakPolarHBondContact O-CD1 3.28Å; M321-L355 HydrophobicContact CB-CD1 3.95Å; M321-L355 HydrophobicContact CG-CB 3.82Å; M321-L355 HydrophobicContact CG-CD1 4.03Å; K322-L355 HydrophobicContact CB-CD1 4.23Å; K322-L355 HydrophobicContact CB-CD2 4.32Å; K322-L355 HydrophobicContact CG-CD2 4.5Å; V325-L355 HydrophobicContact CG2-CB 4.24Å; V325-L355 VanDerWaalsContact CG2-O 3.27Å; V325-L355 WeakPolarHBondContact CG2-O 3.07Å; Q351-L355 HydrophobicContact CG-CD1 4.26Å; Q351-L355 WeakPolarHBondContact O-CG 3.18Å; Q351-L355 PolarHBondContact O-N 2.87Å; M352-L355 PolarHBondContact O-N 3.07Å; L353-L355 VanDerWaalsContact C-N 3.28Å; L353-L355 PolarHBondContact O-N 2.95Å; L355-S357 VanDerWaalsContact C-N 3.31Å; L355-S357 PolarHBondContact O-N 3.31Å; L355-E358 VanDerWaalsContact O-CB 3.32Å; L355-E358 WeakPolarHBondContact O-CB 3.38Å; L355-E358 WeakPolarHBondContact O-CG 3.47Å; L355-E358 PolarHBondContact O-N 2.89Å; L355-E358 VanDerWaalsContact O-N 3.1Å |
| 356 | L | 96.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.1 | -40.8 | 176.8 | -73.5 | 174.8 | 0 | 0 | 0 | 111.9 | M321 V325 I339 F341 M352 L353 E358 I359 I364 T413 | M321-L356 HydrophobicContact CE-CD1 3.98Å; M321-L356 HydrophobicContact CE-CD2 4.22Å; M321-L356 HydrophobicContact CE-CG 4.07Å; M321-L356 HydrophobicContact CG-CG 4.33Å; M321-L356 HydrophobicContact SD-CD1 4.13Å; M321-L356 HydrophobicContact SD-CD2 3.36Å; M321-L356 WeakPolarHBondContact SD-CD2 3.16Å; M321-L356 HydrophobicContact SD-CG 3.55Å; M321-L356 VanDerWaalsContact SD-CG 3.55Å; V325-L356 HydrophobicContact CG2-CD2 4.25Å; I339-L356 HydrophobicContact CD1-CD2 4.04Å; I339-L356 HydrophobicContact CG2-CD1 4.3Å; I339-L356 HydrophobicContact CG2-CD2 4.37Å; F341-L356 HydrophobicContact CB-CD1 4.41Å; F341-L356 HydrophobicContact CD2-CD1 3.7Å; F341-L356 HydrophobicContact CE2-CD1 4.12Å; F341-L356 HydrophobicContact CG-CD1 4.06Å; M352-L356 WeakPolarHBondContact O-CG 3.43Å; M352-L356 PolarHBondContact O-N 2.84Å; L353-L356 HydrophobicContact CD2-CD1 4.32Å; L353-L356 PolarHBondContact O-N 2.92Å; L353-L356 VanDerWaalsContact O-N 3.17Å; L356-E358 PolarHBondContact O-N 3.21Å; L356-E358 VanDerWaalsContact O-N 3.08Å; L356-I359 HydrophobicContact CD2-CD1 4.34Å; L356-I359 WeakPolarHBondContact O-CB 3.39Å; L356-I359 WeakPolarHBondContact O-CG1 3.23Å; L356-I359 PolarHBondContact O-N 3.26Å; L356-I364 HydrophobicContact CB-CD1 3.86Å; L356-T413 HydrophobicContact CD2-CG2 4.4Å |
| 357 | S | 94.5 | Very high | 93.3 | Very high | 23 Ų | 23 | 41.9 Ų | 41.9 | 16% | 0.161 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -9.1 | 176.5 | -59.3 | 0 | 0 | 0 | 0 | 114.5 | L353 L355 R386 F387 | L353-S357 PolarHBondContact O-N 3.36Å; L353-S357 PolarHBondContact O-OG 2.94Å; L355-S357 VanDerWaalsContact C-N 3.31Å; L355-S357 PolarHBondContact O-N 3.31Å; S357-R386 PolarHBondContact O-NH1 2.97Å; S357-F387 WeakPolarHBondContact OG-CZ 3.4Å |
| 358 | E | 95.6 | Very high | 93.5 | Very high | 105 Ų | 105 | 39.5 Ų | 39.5 | 49% | 0.491 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -12.8 | 171.5 | -52.5 | -177.1 | 178 | 0 | 0 | 112.9 | V325 K329 L355 L356 | V325-E358 HydrophobicContact CG1-CB 4.38Å; K329-E358 WeakPolarHBondContact CE-O 3.01Å; K329-E358 PolarHBondContact NZ-O 3.32Å; K329-E358 VanDerWaalsContact NZ-O 3.14Å; K329-E358 IonicContact NZ-OE2 2.69Å; K329-E358 PolarHBondContact NZ-OE2 3.16Å; L355-E358 VanDerWaalsContact O-CB 3.32Å; L355-E358 WeakPolarHBondContact O-CB 3.38Å; L355-E358 WeakPolarHBondContact O-CG 3.47Å; L355-E358 PolarHBondContact O-N 2.89Å; L355-E358 VanDerWaalsContact O-N 3.1Å; L356-E358 PolarHBondContact O-N 3.21Å; L356-E358 VanDerWaalsContact O-N 3.08Å |
| 359 | I | 95.4 | Very high | 93.4 | Very high | 6 Ų | 6 | 36.2 Ų | 36.2 | 3% | 0.031 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -75 | 118.1 | 174.1 | -58.6 | 165.8 | 0 | 0 | 0 | 107.7 | V325 V328 K329 I337 I339 L356 N361 A362 | V325-I359 HydrophobicContact CG1-CG1 4.02Å; V325-I359 HydrophobicContact CG2-CD1 4.17Å; V325-I359 HydrophobicContact CG2-CG1 4.36Å; V328-I359 HydrophobicContact CB-CD1 4.15Å; V328-I359 HydrophobicContact CG1-CD1 3.91Å; V328-I359 HydrophobicContact CG1-CG1 4.42Å; V328-I359 HydrophobicContact CG1-CG2 4.13Å; K329-I359 HydrophobicContact CG-CG1 4.36Å; I337-I359 HydrophobicContact CB-CG2 4.48Å; I337-I359 HydrophobicContact CG1-CG2 4.17Å; I339-I359 HydrophobicContact CD1-CD1 3.77Å; L356-I359 HydrophobicContact CD2-CD1 4.34Å; L356-I359 WeakPolarHBondContact O-CB 3.39Å; L356-I359 WeakPolarHBondContact O-CG1 3.23Å; L356-I359 PolarHBondContact O-N 3.26Å; I359-N361 PolarHBondContact O-N 3.36Å; I359-A362 HydrophobicContact CB-CB 3.74Å; I359-A362 HydrophobicContact CG2-CB 3.75Å; I359-A362 PolarHBondContact O-N 3.2Å |
| 360 | P | 90 | Very high | 92.9 | Very high | 106 Ų | 106 | 43.9 Ų | 43.9 | 69% | 0.688 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -33.5 | -166.8 | 24.8 | -34.1 | 0 | 0 | 0 | 114.4 | ||
| 361 | N | 90.5 | Very high | 92.5 | Very high | 77 Ų | 77 | 42.7 Ų | 42.7 | 41% | 0.412 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | 33.1 | -176.6 | -54.4 | -16.8 | 0 | 0 | 0 | 111.3 | I337 I359 | I337-N361 PolarHBondContact N-O 3.11Å; I359-N361 PolarHBondContact O-N 3.36Å |
| 362 | A | 94.5 | Very high | 91.9 | Very high | 10 Ų | 10 | 43.1 Ų | 43.1 | 8% | 0.083 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 132.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113 | I337 I339 I359 | I337-A362 HydrophobicContact CB-CB 4.38Å; I337-A362 CarbonylContact O-C 3.52Å; I337-A362 WeakPolarHBondContact O-CA 3.48Å; I339-A362 HydrophobicContact CD1-CB 3.77Å; I339-A362 HydrophobicContact CG1-CB 4.36Å; I359-A362 HydrophobicContact CB-CB 3.74Å; I359-A362 HydrophobicContact CG2-CB 3.75Å; I359-A362 PolarHBondContact O-N 3.2Å |
| 363 | H | 94.3 | Very high | 91.5 | Very high | 51 Ų | 51 | 50 Ų | 50 | 24% | 0.236 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 131.1 | 161.8 | -165.9 | 82 | 0 | 0 | 0 | 108.7 | I337 N338 I339 Y365 E388 | I337-H363 PolarHBondContact O-N 3.42Å; N338-H363 CarbonylContact C-O 3.58Å; I339-H363 PolarHBondContact N-O 3.17Å; H363-Y365 AromaticContact CD2-CE1 3.69Å; H363-Y365 AromaticContact CD2-CE2 3.56Å; H363-Y365 AromaticContact CD2-CZ 3.3Å; H363-Y365 PolarHBondContact CD2-OH 3.29Å; H363-Y365 AromaticContact NE2-CE1 3.85Å; H363-Y365 AromaticContact NE2-CZ 3.89Å; H363-E388 IonicContact CE1-OE2 2.81Å; H363-E388 IonicContact NE2-OE2 2.76Å; H363-E388 PolarHBondContact NE2-OE2 2.94Å; H363-E388 VanDerWaalsContact NE2-OE2 3.09Å |
| 364 | I | 94.7 | Very high | 91.3 | Very high | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 108.3 | -166.4 | -55.8 | 171.4 | 0 | 0 | 0 | 109.8 | I339 F341 L356 L366 R386 F387 E388 | I339-I364 HydrophobicContact CB-CG1 4.29Å; I339-I364 HydrophobicContact CD1-CG1 4.3Å; I339-I364 CarbonylContact O-C 3.52Å; I339-I364 WeakPolarHBondContact O-CA 3.31Å; F341-I364 HydrophobicContact CB-CG2 4.42Å; L356-I364 HydrophobicContact CB-CD1 3.86Å; I364-L366 HydrophobicContact CG2-CD2 3.87Å; I364-R386 PolarHBondContact N-O 2.81Å; I364-F387 HydrophobicContact CB-CD1 3.69Å; I364-F387 HydrophobicContact CB-CE1 4.07Å; I364-F387 HydrophobicContact CB-CG 4.36Å; I364-F387 HydrophobicContact CD1-CD1 4.12Å; I364-F387 HydrophobicContact CD1-CE1 3.63Å; I364-F387 HydrophobicContact CD1-CZ 4Å; I364-F387 HydrophobicContact CG1-CD1 4.48Å; I364-F387 HydrophobicContact CG1-CE1 4.44Å; I364-F387 HydrophobicContact CG2-CD1 3.75Å; I364-F387 HydrophobicContact CG2-CE1 4Å; I364-F387 CarbonylContact O-C 3.58Å; I364-F387 VanDerWaalsContact O-CA 3.23Å; I364-F387 WeakPolarHBondContact O-CA 3.12Å; I364-E388 PolarHBondContact O-N 3.34Å |
| 365 | Y | 92.9 | Very high | 91 | Very high | 33 Ų | 33 | 47.3 Ų | 47.3 | 13% | 0.129 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 112.1 | 172.1 | -56.6 | -87.1 | 0 | 0 | 0 | 109.5 | N338 I339 F341 H363 E388 V390 L400 | N338-Y365 HydrophobicContact CB-CE2 3.93Å; I339-Y365 PolarHBondContact O-N 3.11Å; F341-Y365 PolarHBondContact N-O 2.65Å; H363-Y365 AromaticContact CD2-CE1 3.69Å; H363-Y365 AromaticContact CD2-CE2 3.56Å; H363-Y365 AromaticContact CD2-CZ 3.3Å; H363-Y365 PolarHBondContact CD2-OH 3.29Å; H363-Y365 AromaticContact NE2-CE1 3.85Å; H363-Y365 AromaticContact NE2-CZ 3.89Å; Y365-E388 CarbonylContact C-O 3.5Å; Y365-E388 WeakPolarHBondContact CA-O 3.41Å; Y365-E388 HydrophobicContact CD1-CB 3.95Å; Y365-E388 HydrophobicContact CD1-CG 4.22Å; Y365-E388 HydrophobicContact CE1-CB 4.26Å; Y365-E388 HydrophobicContact CE1-CG 4.4Å; Y365-E388 WeakPolarHBondContact CE1-OE2 3.3Å; Y365-V390 HydrophobicContact CD1-CG2 3.74Å; Y365-V390 HydrophobicContact CG-CG2 4.37Å; Y365-L400 HydrophobicContact CD2-CD2 4Å; Y365-L400 HydrophobicContact CE2-CD1 3.69Å; Y365-L400 HydrophobicContact CE2-CD2 3.74Å; Y365-L400 HydrophobicContact CE2-CG 4.36Å; Y365-L400 WeakPolarHBondContact OH-CD1 3.45Å |
| 366 | L | 93.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 127.8 | 173.8 | -58.7 | -176.4 | 0 | 0 | 0 | 109.7 | F341 L353 I364 L377 F380 L383 F387 E388 V390 | F341-L366 HydrophobicContact CB-CD2 4.37Å; F341-L366 HydrophobicContact CD1-CD2 3.77Å; L353-L366 HydrophobicContact CD1-CD1 4.31Å; L353-L366 HydrophobicContact CD1-CD2 4.24Å; L353-L366 HydrophobicContact CD2-CD2 3.57Å; I364-L366 HydrophobicContact CG2-CD2 3.87Å; L366-L377 HydrophobicContact CB-CD2 4.17Å; L366-F380 HydrophobicContact CD1-CB 4.08Å; L366-F380 HydrophobicContact CD1-CD1 3.56Å; L366-F380 HydrophobicContact CD1-CD2 3.86Å; L366-F380 HydrophobicContact CD1-CE1 3.88Å; L366-F380 HydrophobicContact CD1-CE2 4.18Å; L366-F380 HydrophobicContact CD1-CG 3.54Å; L366-F380 HydrophobicContact CD1-CZ 4.18Å; L366-L383 HydrophobicContact CD1-CD1 4Å; L366-L383 HydrophobicContact CD1-CD2 4.23Å; L366-F387 HydrophobicContact CD1-CD1 4.23Å; L366-F387 HydrophobicContact CD2-CD1 4.31Å; L366-F387 HydrophobicContact CG-CD1 4.25Å; L366-E388 PolarHBondContact N-O 2.64Å; L366-V390 PolarHBondContact O-N 2.65Å |
| 367 | T | 92.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 170 | 176.9 | -161.7 | 0 | 0 | 0 | 0 | 113 | L340 F341 S342 V390 W393 F418 | L340-T367 HydrophobicContact CD1-CG2 3.78Å; L340-T367 HydrophobicContact CG-CG2 4.29Å; F341-T367 PolarHBondContact O-N 3.3Å; S342-T367 VanDerWaalsContact CB-O 3.25Å; S342-T367 WeakPolarHBondContact CB-O 3.05Å; S342-T367 PolarHBondContact OG-O 3.47Å; T367-V390 WeakPolarHBondContact CA-O 3.17Å; T367-V390 VanDerWaalsContact CB-O 3.22Å; T367-V390 WeakPolarHBondContact CB-O 3.35Å; T367-V390 PolarHBondContact OG1-O 2.95Å; T367-W393 HydrophobicContact CG2-CB 3.83Å; T367-W393 HydrophobicContact CG2-CG 4.39Å; T367-W393 WeakPolarHBondContact OG1-CB 3.27Å; T367-F418 HydrophobicContact CG2-CE1 4.29Å; T367-F418 HydrophobicContact CG2-CE2 3.79Å; T367-F418 HydrophobicContact CG2-CZ 3.55Å |
| 368 | T | 91 | Very high | 90 | Very high | 42 Ų | 42 | 53.5 Ų | 53.5 | 26% | 0.258 | 28% | 0.283 | S | S | . | . | trans | -123.9 | 171 | 175.2 | -161.2 | 0 | 0 | 0 | 0 | 109.9 | L375 L377 | T368-L375 VanDerWaalsContact CB-O 3.28Å; T368-L375 WeakPolarHBondContact CB-O 3.42Å; T368-L375 PolarHBondContact OG1-O 2.74Å; T368-L377 HydrophobicContact CG2-CD1 3.83Å; T368-L377 HydrophobicContact CG2-CG 4.32Å | ||
| 369 | F | 87.4 | Confident | 89.5 | Confident | 17 Ų | 17 | 54 Ų | 54 | 8% | 0.075 | 28% | 0.28 | C | S | . | . | trans | -151.9 | 166.9 | -177.5 | 64.1 | -72.8 | 0 | 0 | 0 | 111.4 | S342 L344 Y371 A374 F418 E422 | S342-F369 VanDerWaalsContact OG-CD1 3.27Å; S342-F369 WeakPolarHBondContact OG-CD1 3.37Å; S342-F369 WeakPolarHBondContact OG-CE1 3.34Å; L344-F369 HydrophobicContact CD2-CZ 3.9Å; F369-Y371 VanDerWaalsContact CD2-CB 3.49Å; F369-Y371 HydrophobicContact CD2-CG 4.4Å; F369-Y371 HydrophobicContact CE2-CD1 4.4Å; F369-Y371 HydrophobicContact CE2-CD2 4.08Å; F369-Y371 AromaticContact CE2-CG 3.65Å; F369-Y371 HydrophobicContact CE2-CG 3.65Å; F369-Y371 HydrophobicContact CZ-CG 4.24Å; F369-Y371 PolarHBondContact O-N 2.83Å; F369-A374 HydrophobicContact CD1-CB 3.9Å; F369-A374 HydrophobicContact CE1-CB 3.83Å; F369-A374 HydrophobicContact CG-CB 4.4Å; F369-A374 HydrophobicContact CZ-CB 4.32Å; F369-A374 VanDerWaalsContact O-CB 3.25Å; F369-A374 WeakPolarHBondContact O-CB 3.21Å; F369-F418 HydrophobicContact CB-CD2 4.1Å; F369-F418 HydrophobicContact CD1-CB 4.03Å; F369-F418 HydrophobicContact CD1-CD2 4.07Å; F369-F418 HydrophobicContact CD1-CG 4.36Å; F369-F418 HydrophobicContact CE1-CB 3.93Å; F369-F418 HydrophobicContact CE2-CB 4.36Å; F369-F418 HydrophobicContact CG-CB 4.35Å; F369-F418 HydrophobicContact CG-CD2 4.09Å; F369-F418 HydrophobicContact CZ-CB 4.11Å; F369-E422 HydrophobicContact CB-CG 3.86Å; F369-E422 HydrophobicContact CD2-CG 3.71Å; F369-E422 HydrophobicContact CG-CG 4.16Å | ||
| 370 | E | 83.5 | Confident | 89 | Confident | 165 Ų | 165 | 54.6 Ų | 54.6 | 77% | 0.771 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -73.5 | 73.4 | -176.9 | -67.1 | -171.9 | 158 | 0 | 0 | 111.9 | ||
| 371 | Y | 82.3 | Confident | 88.3 | Confident | 70 Ų | 70 | 55.6 Ų | 55.6 | 28% | 0.275 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -147 | 143.6 | 178.8 | -160.1 | -88.5 | 0 | 0 | 0 | 112.4 | L344 F369 K373 A374 Y417 | L344-Y371 HydrophobicContact CD1-CE1 4.28Å; L344-Y371 HydrophobicContact CD2-CD1 3.49Å; L344-Y371 VanDerWaalsContact CD2-CD1 3.49Å; L344-Y371 HydrophobicContact CD2-CE1 3.96Å; L344-Y371 HydrophobicContact CD2-CG 4.41Å; F369-Y371 VanDerWaalsContact CD2-CB 3.49Å; F369-Y371 HydrophobicContact CD2-CG 4.4Å; F369-Y371 HydrophobicContact CE2-CD1 4.4Å; F369-Y371 HydrophobicContact CE2-CD2 4.08Å; F369-Y371 AromaticContact CE2-CG 3.65Å; F369-Y371 HydrophobicContact CE2-CG 3.65Å; F369-Y371 HydrophobicContact CZ-CG 4.24Å; F369-Y371 PolarHBondContact O-N 2.83Å; Y371-K373 PolarHBondContact O-N 3.18Å; Y371-A374 VanDerWaalsContact O-CB 3.31Å; Y371-A374 WeakPolarHBondContact O-CB 3.48Å; Y371-A374 PolarHBondContact O-N 2.85Å; Y371-Y417 HydrophobicContact CD2-CD1 4.46Å; Y371-Y417 HydrophobicContact CD2-CG 4.3Å; Y371-Y417 HydrophobicContact CE1-CD2 4.1Å; Y371-Y417 HydrophobicContact CE1-CE2 4.23Å; Y371-Y417 HydrophobicContact CE1-CG 4.38Å; Y371-Y417 AromaticContact CE2-CD1 3.62Å; Y371-Y417 HydrophobicContact CE2-CD1 3.62Å; Y371-Y417 HydrophobicContact CE2-CD2 4.29Å; Y371-Y417 HydrophobicContact CE2-CE1 4.04Å; Y371-Y417 AromaticContact CE2-CG 3.77Å; Y371-Y417 HydrophobicContact CE2-CG 3.77Å; Y371-Y417 AromaticContact CZ-CD1 3.81Å; Y371-Y417 AromaticContact CZ-CD2 3.88Å; Y371-Y417 AromaticContact CZ-CE1 3.87Å; Y371-Y417 AromaticContact CZ-CE2 3.92Å; Y371-Y417 AromaticContact CZ-CG 3.83Å; Y371-Y417 AromaticContact CZ-CZ 3.92Å; Y371-Y417 VanDerWaalsContact OH-CE1 3.27Å; Y371-Y417 WeakPolarHBondContact OH-CE1 3.09Å |
| 372 | P | 82 | Confident | 87.5 | Confident | 102 Ų | 102 | 60.9 Ų | 60.9 | 66% | 0.662 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | 124.7 | 176.5 | -25.9 | 34.5 | 0 | 0 | 0 | 112.2 | A374 | P372-A374 PolarHBondContact O-N 2.91Š|
| 373 | K | 86.6 | Confident | 86.7 | Confident | 145 Ų | 145 | 63 Ų | 63 | 63% | 0.63 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.1 | 27.4 | -177.5 | -46.2 | 179.9 | 179.4 | -178.2 | 0 | 113.7 | L344 E345 T346 Y371 | L344-K373 CarbonylContact C-O 3.44Å; L344-K373 VanDerWaalsContact CA-O 3.29Å; L344-K373 WeakPolarHBondContact CA-O 3.19Å; E345-K373 HydrophobicContact CB-CB 4.37Å; E345-K373 PolarHBondContact N-O 3.1Å; T346-K373 HydrophobicContact CG2-CD 3.48Å; T346-K373 VanDerWaalsContact CG2-CD 3.48Å; Y371-K373 PolarHBondContact O-N 3.18Å |
| 374 | A | 89.3 | Confident | 86.2 | Confident | 15 Ų | 15 | 63.8 Ų | 63.8 | 12% | 0.124 | 32% | 0.32 | C | S | . | . | B | Isolated β-bridge | trans | -56 | 159 | 160.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | F369 Y371 P372 D376 | F369-A374 HydrophobicContact CD1-CB 3.9Å; F369-A374 HydrophobicContact CE1-CB 3.83Å; F369-A374 HydrophobicContact CG-CB 4.4Å; F369-A374 HydrophobicContact CZ-CB 4.32Å; F369-A374 VanDerWaalsContact O-CB 3.25Å; F369-A374 WeakPolarHBondContact O-CB 3.21Å; Y371-A374 VanDerWaalsContact O-CB 3.31Å; Y371-A374 WeakPolarHBondContact O-CB 3.48Å; Y371-A374 PolarHBondContact O-N 2.85Å; P372-A374 PolarHBondContact O-N 2.91Å; A374-D376 PolarHBondContact O-N 3.04Å |
| 375 | L | 89.5 | Confident | 85.8 | Confident | 2 Ų | 2 | 69.2 Ų | 69.2 | 1% | 0.01 | 36% | 0.357 | C | S | . | . | trans | -51.9 | 127 | -176 | -168.3 | 69.3 | 0 | 0 | 0 | 111.7 | A343 E345 V349 T368 L377 F380 | A343-L375 PolarHBondContact O-N 2.87Å; E345-L375 WeakPolarHBondContact OE1-CA 3.4Å; E345-L375 WeakPolarHBondContact OE1-CD1 3.08Å; V349-L375 HydrophobicContact CB-CD1 4.42Å; V349-L375 HydrophobicContact CG1-CD1 3.79Å; V349-L375 HydrophobicContact CG2-CD1 3.94Å; T368-L375 VanDerWaalsContact CB-O 3.28Å; T368-L375 WeakPolarHBondContact CB-O 3.42Å; T368-L375 PolarHBondContact OG1-O 2.74Å; L375-L377 HydrophobicContact CD2-CD2 4.05Å; L375-L377 HydrophobicContact CG-CD2 4.42Å; L375-L377 PolarHBondContact O-N 3.36Å; L375-F380 HydrophobicContact CD1-CE2 3.78Å; L375-F380 HydrophobicContact CD1-CZ 4.02Å; L375-F380 HydrophobicContact CD2-CE2 3.82Å; L375-F380 HydrophobicContact CD2-CZ 4.35Å; L375-F380 HydrophobicContact CG-CE2 3.81Å; L375-F380 HydrophobicContact CG-CZ 4.47Å | ||
| 376 | D | 89.5 | Confident | 85.6 | Confident | 83 Ų | 83 | 72.7 Ų | 72.7 | 44% | 0.444 | 37% | 0.37 | S | S | . | . | trans | -84.8 | 106.2 | 172.4 | -177.3 | -4.9 | 0 | 0 | 0 | 109.2 | E345 A374 S378 R379 | E345-D376 PolarHBondContact OE1-N 3.04Å; A374-D376 PolarHBondContact O-N 3.04Å; D376-S378 PolarHBondContact O-N 2.78Å; D376-S378 WeakPolarHBondContact OD1-CB 3.49Å; D376-S378 PolarHBondContact OD1-N 2.9Å; D376-S378 PolarHBondContact OD1-OG 3.14Å; D376-S378 PolarHBondContact OD2-OG 2.96Å; D376-R379 HydrophobicContact CB-CG 4.25Å; D376-R379 WeakPolarHBondContact O-CB 2.9Å; D376-R379 WeakPolarHBondContact O-CG 3.26Å; D376-R379 PolarHBondContact O-N 2.85Å | ||
| 377 | L | 89.6 | Confident | 85.5 | Confident | 23 Ų | 23 | 74.1 Ų | 74.1 | 12% | 0.12 | 38% | 0.377 | C | S | . | . | G | 310 helix | trans | -67.5 | -20.7 | -175.8 | -63 | 176.2 | 0 | 0 | 0 | 113.3 | L366 T368 L375 R379 F380 V389 | L366-L377 HydrophobicContact CB-CD2 4.17Å; T368-L377 HydrophobicContact CG2-CD1 3.83Å; T368-L377 HydrophobicContact CG2-CG 4.32Å; L375-L377 HydrophobicContact CD2-CD2 4.05Å; L375-L377 HydrophobicContact CG-CD2 4.42Å; L375-L377 PolarHBondContact O-N 3.36Å; L377-R379 PolarHBondContact O-N 3.18Å; L377-R379 VanDerWaalsContact O-N 3.11Å; L377-F380 PolarHBondContact O-N 3.1Å; L377-F380 VanDerWaalsContact O-N 3.07Å; L377-V389 HydrophobicContact CB-CG1 3.88Å; L377-V389 HydrophobicContact CD1-CG1 3.85Å; L377-V389 HydrophobicContact CD2-CG1 4.21Å; L377-V389 HydrophobicContact CG-CG1 4.18Å |
| 378 | S | 86.3 | Confident | 85.4 | Confident | 70 Ų | 70 | 78.2 Ų | 78.2 | 49% | 0.49 | 40% | 0.396 | S | S | . | . | G | 310 helix | trans | -64.6 | -15 | 177 | 69.8 | 0 | 0 | 0 | 0 | 113.3 | D376 F380 | D376-S378 PolarHBondContact O-N 2.78Å; D376-S378 WeakPolarHBondContact OD1-CB 3.49Å; D376-S378 PolarHBondContact OD1-N 2.9Å; D376-S378 PolarHBondContact OD1-OG 3.14Å; D376-S378 PolarHBondContact OD2-OG 2.96Å; S378-F380 PolarHBondContact O-N 2.84Å |
| 379 | R | 84.7 | Confident | 85.3 | Confident | 115 Ų | 115 | 79.2 Ų | 79.2 | 43% | 0.434 | 40% | 0.402 | S | S | . | . | G | 310 helix | trans | -69.9 | -13.4 | 174.3 | -63 | -178 | 58.7 | -165.7 | -11.2 | 113.3 | E345 D350 D376 L377 | E345-R379 IonicContact OE1-NH1 2.67Å; E345-R379 IonicContact OE2-CZ 2.9Å; E345-R379 IonicContact OE2-NH1 2.65Å; E345-R379 PolarHBondContact OE2-NH1 3.15Å; D350-R379 IonicContact OD1-NH2 2.77Å; D350-R379 IonicContact OD2-NH2 3.91Å; D376-R379 HydrophobicContact CB-CG 4.25Å; D376-R379 WeakPolarHBondContact O-CB 2.9Å; D376-R379 WeakPolarHBondContact O-CG 3.26Å; D376-R379 PolarHBondContact O-N 2.85Å; L377-R379 PolarHBondContact O-N 3.18Å; L377-R379 VanDerWaalsContact O-N 3.11Å |
| 380 | F | 85.6 | Confident | 85.2 | Confident | 19 Ų | 19 | 79.2 Ų | 79.2 | 8% | 0.083 | 40% | 0.403 | C | S | . | . | G | 310 helix | trans | -113.9 | 32.6 | -168.8 | -58.7 | -75.7 | 0 | 0 | 0 | 113.7 | V349 L353 L366 L375 L377 S378 H382 L383 V389 | V349-F380 HydrophobicContact CG1-CZ 4.12Å; L353-F380 HydrophobicContact CD1-CD1 4.43Å; L353-F380 HydrophobicContact CD1-CE1 3.51Å; L353-F380 HydrophobicContact CD1-CZ 3.96Å; L366-F380 HydrophobicContact CD1-CB 4.08Å; L366-F380 HydrophobicContact CD1-CD1 3.56Å; L366-F380 HydrophobicContact CD1-CD2 3.86Å; L366-F380 HydrophobicContact CD1-CE1 3.88Å; L366-F380 HydrophobicContact CD1-CE2 4.18Å; L366-F380 HydrophobicContact CD1-CG 3.54Å; L366-F380 HydrophobicContact CD1-CZ 4.18Å; L375-F380 HydrophobicContact CD1-CE2 3.78Å; L375-F380 HydrophobicContact CD1-CZ 4.02Å; L375-F380 HydrophobicContact CD2-CE2 3.82Å; L375-F380 HydrophobicContact CD2-CZ 4.35Å; L375-F380 HydrophobicContact CG-CE2 3.81Å; L375-F380 HydrophobicContact CG-CZ 4.47Å; L377-F380 PolarHBondContact O-N 3.1Å; L377-F380 VanDerWaalsContact O-N 3.07Å; S378-F380 PolarHBondContact O-N 2.84Å; F380-H382 PolarHBondContact O-N 3.15Å; F380-L383 HydrophobicContact CB-CD1 3.69Å; F380-L383 HydrophobicContact CB-CD2 4.13Å; F380-L383 HydrophobicContact CB-CG 3.85Å; F380-L383 HydrophobicContact CD1-CD2 3.88Å; F380-L383 HydrophobicContact CG-CD2 4.43Å; F380-L383 WeakPolarHBondContact O-CD1 3.2Å; F380-L383 VanDerWaalsContact O-CG 3.32Å; F380-L383 WeakPolarHBondContact O-CG 3.31Å; F380-V389 HydrophobicContact CB-CG2 4.12Å |
| 381 | D | 75.3 | Confident | 85.1 | Confident | 128 Ų | 128 | 75.3 Ų | 75.3 | 68% | 0.684 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -18 | 178.6 | -70.8 | -16 | 0 | 0 | 0 | 114.6 | ||
| 382 | H | 73.7 | Confident | 85 | Confident | 187 Ų | 187 | 76.5 Ų | 76.5 | 87% | 0.866 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129.4 | 56.4 | -173.1 | -62.5 | -33 | 0 | 0 | 0 | 112.1 | F380 | F380-H382 PolarHBondContact O-N 3.15Š|
| 383 | L | 77.3 | Confident | 84.9 | Confident | 55 Ų | 55 | 72.6 Ų | 72.6 | 29% | 0.288 | 38% | 0.377 | S | S | . | . | trans | -79.9 | 151.7 | 177 | -77.7 | 170.5 | 0 | 0 | 0 | 112.6 | L366 F380 F387 V389 | L366-L383 HydrophobicContact CD1-CD1 4Å; L366-L383 HydrophobicContact CD1-CD2 4.23Å; F380-L383 HydrophobicContact CB-CD1 3.69Å; F380-L383 HydrophobicContact CB-CD2 4.13Å; F380-L383 HydrophobicContact CB-CG 3.85Å; F380-L383 HydrophobicContact CD1-CD2 3.88Å; F380-L383 HydrophobicContact CG-CD2 4.43Å; F380-L383 WeakPolarHBondContact O-CD1 3.2Å; F380-L383 VanDerWaalsContact O-CG 3.32Å; F380-L383 WeakPolarHBondContact O-CG 3.31Å; L383-F387 HydrophobicContact CB-CB 3.85Å; L383-F387 HydrophobicContact CD1-CB 3.51Å; L383-F387 HydrophobicContact CD1-CG 4.46Å; L383-F387 HydrophobicContact CD2-CB 3.64Å; L383-F387 HydrophobicContact CD2-CD1 4.14Å; L383-F387 HydrophobicContact CD2-CD2 3.98Å; L383-F387 HydrophobicContact CD2-CG 3.7Å; L383-F387 HydrophobicContact CG-CB 3.82Å; L383-F387 HydrophobicContact CG-CG 4.43Å; L383-V389 HydrophobicContact CD1-CG2 3.72Å | ||
| 384 | D | 84.4 | Confident | 84.5 | Confident | 68 Ų | 68 | 69.8 Ų | 69.8 | 36% | 0.364 | 37% | 0.366 | S | S | . | . | trans | -72.5 | 167.4 | 166.2 | 79.8 | 35.5 | 0 | 0 | 0 | 110.7 | R386 F387 | D384-R386 PolarHBondContact O-N 2.92Å; D384-R386 WeakPolarHBondContact OD1-CA 3.39Å; D384-R386 WeakPolarHBondContact OD1-CB 3.5Å; D384-R386 PolarHBondContact OD1-N 3.16Å; D384-R386 IonicContact OD1-NE 3.93Å; D384-R386 PolarHBondContact OD1-NE 3.36Å; D384-R386 IonicContact OD2-CZ 2.64Å; D384-R386 IonicContact OD2-NE 2.85Å; D384-R386 PolarHBondContact OD2-NE 3.42Å; D384-R386 IonicContact OD2-NH2 3.23Å; D384-R386 PolarHBondContact OD2-NH2 3.01Å; D384-F387 PolarHBondContact O-N 3.48Å; D384-F387 WeakPolarHBondContact OD1-CD2 3.42Å | ||
| 385 | S | 85.2 | Confident | 83.6 | Confident | 114 Ų | 114 | 76.2 Ų | 76.2 | 80% | 0.797 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -6.9 | -174.1 | 62.8 | 0 | 0 | 0 | 0 | 115.2 | ||
| 386 | R | 88.3 | Confident | 82.8 | Confident | 106 Ų | 106 | 76.8 Ų | 76.8 | 40% | 0.4 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -9.1 | 175.9 | -60.5 | 177 | -74.9 | -175.3 | -3.5 | 112.8 | S357 I364 D384 | S357-R386 PolarHBondContact O-NH1 2.97Å; I364-R386 PolarHBondContact N-O 2.81Å; D384-R386 PolarHBondContact O-N 2.92Å; D384-R386 WeakPolarHBondContact OD1-CA 3.39Å; D384-R386 WeakPolarHBondContact OD1-CB 3.5Å; D384-R386 PolarHBondContact OD1-N 3.16Å; D384-R386 IonicContact OD1-NE 3.93Å; D384-R386 PolarHBondContact OD1-NE 3.36Å; D384-R386 IonicContact OD2-CZ 2.64Å; D384-R386 IonicContact OD2-NE 2.85Å; D384-R386 PolarHBondContact OD2-NE 3.42Å; D384-R386 IonicContact OD2-NH2 3.23Å; D384-R386 PolarHBondContact OD2-NH2 3.01Å |
| 387 | F | 91.4 | Very high | 82.2 | Confident | 30 Ų | 30 | 74.2 Ų | 74.2 | 13% | 0.132 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 145.2 | 179.1 | -57.4 | -102.1 | 0 | 0 | 0 | 111.2 | L353 S357 I364 L366 L383 D384 | L353-F387 HydrophobicContact CB-CE1 4.19Å; L353-F387 HydrophobicContact CB-CZ 4.45Å; L353-F387 HydrophobicContact CD1-CE1 4.33Å; L353-F387 HydrophobicContact CD2-CE1 4.19Å; L353-F387 HydrophobicContact CG-CE1 4.46Å; S357-F387 WeakPolarHBondContact OG-CZ 3.4Å; I364-F387 HydrophobicContact CB-CD1 3.69Å; I364-F387 HydrophobicContact CB-CE1 4.07Å; I364-F387 HydrophobicContact CB-CG 4.36Å; I364-F387 HydrophobicContact CD1-CD1 4.12Å; I364-F387 HydrophobicContact CD1-CE1 3.63Å; I364-F387 HydrophobicContact CD1-CZ 4Å; I364-F387 HydrophobicContact CG1-CD1 4.48Å; I364-F387 HydrophobicContact CG1-CE1 4.44Å; I364-F387 HydrophobicContact CG2-CD1 3.75Å; I364-F387 HydrophobicContact CG2-CE1 4Å; I364-F387 CarbonylContact O-C 3.58Å; I364-F387 VanDerWaalsContact O-CA 3.23Å; I364-F387 WeakPolarHBondContact O-CA 3.12Å; L366-F387 HydrophobicContact CD1-CD1 4.23Å; L366-F387 HydrophobicContact CD2-CD1 4.31Å; L366-F387 HydrophobicContact CG-CD1 4.25Å; L383-F387 HydrophobicContact CB-CB 3.85Å; L383-F387 HydrophobicContact CD1-CB 3.51Å; L383-F387 HydrophobicContact CD1-CG 4.46Å; L383-F387 HydrophobicContact CD2-CB 3.64Å; L383-F387 HydrophobicContact CD2-CD1 4.14Å; L383-F387 HydrophobicContact CD2-CD2 3.98Å; L383-F387 HydrophobicContact CD2-CG 3.7Å; L383-F387 HydrophobicContact CG-CB 3.82Å; L383-F387 HydrophobicContact CG-CG 4.43Å; D384-F387 PolarHBondContact O-N 3.48Å; D384-F387 WeakPolarHBondContact OD1-CD2 3.42Å |
| 388 | E | 90.4 | Very high | 81.6 | Confident | 87 Ų | 87 | 74.6 Ų | 74.6 | 41% | 0.407 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 141 | 178.4 | -174 | 170.9 | 160.9 | 0 | 0 | 109.4 | H363 I364 Y365 L366 | H363-E388 IonicContact CE1-OE2 2.81Å; H363-E388 IonicContact NE2-OE2 2.76Å; H363-E388 PolarHBondContact NE2-OE2 2.94Å; H363-E388 VanDerWaalsContact NE2-OE2 3.09Å; I364-E388 PolarHBondContact O-N 3.34Å; Y365-E388 CarbonylContact C-O 3.5Å; Y365-E388 WeakPolarHBondContact CA-O 3.41Å; Y365-E388 HydrophobicContact CD1-CB 3.95Å; Y365-E388 HydrophobicContact CD1-CG 4.22Å; Y365-E388 HydrophobicContact CE1-CB 4.26Å; Y365-E388 HydrophobicContact CE1-CG 4.4Å; Y365-E388 WeakPolarHBondContact CE1-OE2 3.3Å; L366-E388 PolarHBondContact N-O 2.64Å |
| 389 | V | 89.2 | Confident | 81.1 | Confident | 63 Ų | 63 | 77.7 Ų | 77.7 | 38% | 0.382 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 119.4 | 179.9 | 175.5 | 0 | 0 | 0 | 0 | 109.1 | L377 F380 L383 | L377-V389 HydrophobicContact CB-CG1 3.88Å; L377-V389 HydrophobicContact CD1-CG1 3.85Å; L377-V389 HydrophobicContact CD2-CG1 4.21Å; L377-V389 HydrophobicContact CG-CG1 4.18Å; F380-V389 HydrophobicContact CB-CG2 4.12Å; L383-V389 HydrophobicContact CD1-CG2 3.72Å |
| 390 | V | 86.2 | Confident | 80.9 | Confident | 16 Ų | 16 | 72.8 Ų | 72.8 | 10% | 0.097 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 104.2 | 175.3 | -177.3 | 0 | 0 | 0 | 0 | 108.3 | Y365 L366 T367 L392 | Y365-V390 HydrophobicContact CD1-CG2 3.74Å; Y365-V390 HydrophobicContact CG-CG2 4.37Å; L366-V390 PolarHBondContact O-N 2.65Å; T367-V390 WeakPolarHBondContact CA-O 3.17Å; T367-V390 VanDerWaalsContact CB-O 3.22Å; T367-V390 WeakPolarHBondContact CB-O 3.35Å; T367-V390 PolarHBondContact OG1-O 2.95Å; V390-L392 WeakPolarHBondContact CG1-O 3.38Å |
| 391 | S | 80.5 | Confident | 80.9 | Confident | 84 Ų | 84 | 74.6 Ų | 74.6 | 59% | 0.587 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -70.1 | -36.6 | -177.4 | 57.8 | 0 | 0 | 0 | 0 | 113.2 | ||
| 392 | L | 80.6 | Confident | 81.2 | Confident | 94 Ų | 94 | 76.4 Ų | 76.4 | 49% | 0.492 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -113.8 | 93.5 | 173.6 | -65.8 | 171.9 | 0 | 0 | 0 | 109.1 | V390 Q394 F395 G396 | V390-L392 WeakPolarHBondContact CG1-O 3.38Å; L392-Q394 PolarHBondContact O-N 2.77Å; L392-Q394 VanDerWaalsContact O-N 3.1Å; L392-F395 HydrophobicContact CB-CD2 3.79Å; L392-F395 HydrophobicContact CD1-CD2 3.71Å; L392-F395 HydrophobicContact CD1-CE2 3.89Å; L392-F395 HydrophobicContact CG-CD2 4.39Å; L392-F395 PolarHBondContact O-N 3.08Å; L392-F395 VanDerWaalsContact O-N 3.13Å; L392-G396 PolarHBondContact O-N 3.4Å |
| 393 | W | 79.2 | Confident | 81.7 | Confident | 21 Ų | 21 | 74.3 Ų | 74.3 | 8% | 0.08 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -59.1 | -26.6 | -174.9 | 65.7 | -93.4 | 0 | 0 | 0 | 113.6 | L340 T367 F395 L397 F418 E422 V423 | L340-W393 HydrophobicContact CD1-CB 4.24Å; L340-W393 HydrophobicContact CD2-CB 4.29Å; L340-W393 HydrophobicContact CD2-CE3 4.28Å; T367-W393 HydrophobicContact CG2-CB 3.83Å; T367-W393 HydrophobicContact CG2-CG 4.39Å; T367-W393 WeakPolarHBondContact OG1-CB 3.27Å; W393-F395 VanDerWaalsContact C-N 3.35Å; W393-F395 PolarHBondContact O-N 3.47Å; W393-L397 HydrophobicContact CE3-CB 4.46Å; W393-L397 HydrophobicContact CE3-CD2 4.1Å; W393-L397 HydrophobicContact CZ3-CD2 3.8Å; W393-L397 WeakPolarHBondContact O-CA 3.39Å; W393-L397 WeakPolarHBondContact O-CB 3.46Å; W393-L397 PolarHBondContact O-N 2.8Å; W393-F418 HydrophobicContact CD2-CE2 4.31Å; W393-F418 HydrophobicContact CG-CE2 4.15Å; W393-E422 HydrophobicContact CZ2-CB 4.34Å; W393-V423 HydrophobicContact CE3-CG2 4.39Å; W393-V423 HydrophobicContact CH2-CB 4.3Å; W393-V423 HydrophobicContact CH2-CG2 3.88Å; W393-V423 HydrophobicContact CZ2-CG2 4.13Å; W393-V423 HydrophobicContact CZ3-CG2 4.02Å |
| 394 | Q | 78.5 | Confident | 82.2 | Confident | 85 Ų | 85 | 72.9 Ų | 72.9 | 40% | 0.397 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64.3 | -40.7 | 178.7 | -59.2 | 87.2 | -10.6 | 0 | 0 | 111.9 | L392 G398 | L392-Q394 PolarHBondContact O-N 2.77Å; L392-Q394 VanDerWaalsContact O-N 3.1Å; Q394-G398 PolarHBondContact O-N 2.77Å |
| 395 | F | 69.4 | Low | 82.3 | Confident | 150 Ų | 150 | 71.5 Ų | 71.5 | 66% | 0.658 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -72.9 | -48.3 | 178 | -73.7 | -73.8 | 0 | 0 | 0 | 111 | L392 W393 L397 G398 E399 | L392-F395 HydrophobicContact CB-CD2 3.79Å; L392-F395 HydrophobicContact CD1-CD2 3.71Å; L392-F395 HydrophobicContact CD1-CE2 3.89Å; L392-F395 HydrophobicContact CG-CD2 4.39Å; L392-F395 PolarHBondContact O-N 3.08Å; L392-F395 VanDerWaalsContact O-N 3.13Å; W393-F395 VanDerWaalsContact C-N 3.35Å; W393-F395 PolarHBondContact O-N 3.47Å; F395-L397 PolarHBondContact O-N 2.87Å; F395-G398 PolarHBondContact O-N 2.83Å; F395-E399 PolarHBondContact O-N 3.05Å; F395-E399 VanDerWaalsContact O-N 3.15Å |
| 396 | G | 72.7 | Confident | 82.5 | Confident | 15 Ų | 15 | 70.6 Ų | 70.6 | 16% | 0.155 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -64.9 | -27.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | L392 L400 | L392-G396 PolarHBondContact O-N 3.4Å; G396-L400 WeakPolarHBondContact O-CB 3.41Å; G396-L400 PolarHBondContact O-N 2.69Å |
| 397 | L | 77.9 | Confident | 82.6 | Confident | 29 Ų | 29 | 71 Ų | 71 | 15% | 0.152 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -67.1 | -40.3 | 170.7 | -179.6 | 63.4 | 0 | 0 | 0 | 111.5 | W393 F395 L400 L401 L410 | W393-L397 HydrophobicContact CE3-CB 4.46Å; W393-L397 HydrophobicContact CE3-CD2 4.1Å; W393-L397 HydrophobicContact CZ3-CD2 3.8Å; W393-L397 WeakPolarHBondContact O-CA 3.39Å; W393-L397 WeakPolarHBondContact O-CB 3.46Å; W393-L397 PolarHBondContact O-N 2.8Å; F395-L397 PolarHBondContact O-N 2.87Å; L397-L400 PolarHBondContact O-N 2.77Å; L397-L401 HydrophobicContact CD1-CD1 3.9Å; L397-L401 HydrophobicContact CD1-CD2 4.31Å; L397-L401 HydrophobicContact CD1-CG 3.88Å; L397-L401 HydrophobicContact CD2-CD1 4.38Å; L397-L401 HydrophobicContact CG-CD1 3.71Å; L397-L401 HydrophobicContact CG-CG 4.15Å; L397-L401 VanDerWaalsContact O-CB 3.31Å; L397-L401 WeakPolarHBondContact O-CB 3.17Å; L397-L401 WeakPolarHBondContact O-CD1 3.37Å; L397-L401 WeakPolarHBondContact O-CG 3.22Å; L397-L401 PolarHBondContact O-N 3.44Å; L397-L410 HydrophobicContact CD1-CD2 3.17Å |
| 398 | G | 77.2 | Confident | 82.7 | Confident | 30 Ų | 30 | 70.9 Ų | 70.9 | 31% | 0.309 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -59.5 | -54.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q394 F395 L400 L401 E402 | Q394-G398 PolarHBondContact O-N 2.77Å; F395-G398 PolarHBondContact O-N 2.83Å; G398-L400 VanDerWaalsContact C-N 3.32Å; G398-L400 PolarHBondContact O-N 2.85Å; G398-L401 PolarHBondContact O-N 2.91Å; G398-E402 WeakPolarHBondContact O-CG 3.34Å; G398-E402 PolarHBondContact O-N 2.77Å |
| 399 | E | 75.2 | Confident | 82.9 | Confident | 135 Ų | 135 | 66.8 Ų | 66.8 | 63% | 0.631 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -58.4 | -44.6 | 177 | -66.4 | 180 | 158.5 | 0 | 0 | 111.4 | F395 L401 E402 D403 | F395-E399 PolarHBondContact O-N 3.05Å; F395-E399 VanDerWaalsContact O-N 3.15Å; E399-L401 PolarHBondContact O-N 3.09Å; E399-E402 PolarHBondContact O-N 3.39Å; E399-D403 PolarHBondContact O-N 2.8Å |
| 400 | L | 81.6 | Confident | 83.1 | Confident | 13 Ų | 13 | 63.8 Ų | 63.8 | 7% | 0.068 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -61 | -42.6 | 177.6 | -178 | 59.8 | 0 | 0 | 0 | 112.6 | N338 Y365 G396 L397 G398 E402 D403 M404 L410 | N338-L400 HydrophobicContact CB-CD1 3.95Å; N338-L400 HydrophobicContact CB-CD2 4.04Å; N338-L400 HydrophobicContact CB-CG 4.42Å; Y365-L400 HydrophobicContact CD2-CD2 4Å; Y365-L400 HydrophobicContact CE2-CD1 3.69Å; Y365-L400 HydrophobicContact CE2-CD2 3.74Å; Y365-L400 HydrophobicContact CE2-CG 4.36Å; Y365-L400 WeakPolarHBondContact OH-CD1 3.45Å; G396-L400 WeakPolarHBondContact O-CB 3.41Å; G396-L400 PolarHBondContact O-N 2.69Å; L397-L400 PolarHBondContact O-N 2.77Å; G398-L400 VanDerWaalsContact C-N 3.32Å; G398-L400 PolarHBondContact O-N 2.85Å; L400-E402 VanDerWaalsContact C-N 3.33Å; L400-D403 PolarHBondContact O-N 2.83Å; L400-M404 HydrophobicContact CG-SD 4.49Å; L400-M404 VanDerWaalsContact O-CG 3.23Å; L400-M404 WeakPolarHBondContact O-CG 3.49Å; L400-M404 PolarHBondContact O-N 2.83Å; L400-L410 HydrophobicContact CD2-CD1 3.61Å |
| 401 | L | 84.6 | Confident | 83.5 | Confident | 56 Ų | 56 | 63 Ų | 63 | 29% | 0.293 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -69.8 | -30.5 | -179.9 | -70.8 | 170.7 | 0 | 0 | 0 | 112.3 | P308 I310 L397 G398 E399 M404 L410 | P308-L401 HydrophobicContact CB-CD2 4.47Å; P308-L401 HydrophobicContact CG-CD2 3.46Å; P308-L401 VanDerWaalsContact CG-CD2 3.46Å; I310-L401 HydrophobicContact CD1-CD2 3.77Å; I310-L401 HydrophobicContact CG1-CD2 4.31Å; L397-L401 HydrophobicContact CD1-CD1 3.9Å; L397-L401 HydrophobicContact CD1-CD2 4.31Å; L397-L401 HydrophobicContact CD1-CG 3.88Å; L397-L401 HydrophobicContact CD2-CD1 4.38Å; L397-L401 HydrophobicContact CG-CD1 3.71Å; L397-L401 HydrophobicContact CG-CG 4.15Å; L397-L401 VanDerWaalsContact O-CB 3.31Å; L397-L401 WeakPolarHBondContact O-CB 3.17Å; L397-L401 WeakPolarHBondContact O-CD1 3.37Å; L397-L401 WeakPolarHBondContact O-CG 3.22Å; L397-L401 PolarHBondContact O-N 3.44Å; G398-L401 PolarHBondContact O-N 2.91Å; E399-L401 PolarHBondContact O-N 3.09Å; L401-M404 HydrophobicContact CD2-SD 4.07Å; L401-L410 HydrophobicContact CD2-CD2 4.15Å |
| 402 | E | 81.9 | Confident | 84.2 | Confident | 167 Ų | 167 | 59.2 Ų | 59.2 | 78% | 0.78 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -67.8 | -35.5 | 176.1 | -75.4 | 180 | -175.3 | 0 | 0 | 112.5 | G398 E399 L400 | G398-E402 WeakPolarHBondContact O-CG 3.34Å; G398-E402 PolarHBondContact O-N 2.77Å; E399-E402 PolarHBondContact O-N 3.39Å; L400-E402 VanDerWaalsContact C-N 3.33Å |
| 403 | D | 83.1 | Confident | 84.9 | Confident | 143 Ų | 143 | 54.8 Ų | 54.8 | 77% | 0.765 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -85 | -10.6 | -178.9 | -77 | -21.4 | 0 | 0 | 0 | 113.9 | E399 L400 | E399-D403 PolarHBondContact O-N 2.8Å; L400-D403 PolarHBondContact O-N 2.83Å |
| 404 | M | 88.2 | Confident | 85.5 | Confident | 25 Ų | 25 | 53.8 Ų | 53.8 | 12% | 0.123 | 30% | 0.3 | C | S | . | . | trans | -74.2 | 126 | -177.2 | -82.2 | 177.6 | 78.2 | 0 | 0 | 113.1 | P308 L400 L401 D408 L410 | P308-M404 HydrophobicContact CB-CB 4.12Å; P308-M404 HydrophobicContact CB-CE 3.7Å; P308-M404 HydrophobicContact CB-SD 4.07Å; L400-M404 HydrophobicContact CG-SD 4.49Å; L400-M404 VanDerWaalsContact O-CG 3.23Å; L400-M404 WeakPolarHBondContact O-CG 3.49Å; L400-M404 PolarHBondContact O-N 2.83Å; L401-M404 HydrophobicContact CD2-SD 4.07Å; M404-D408 HydrophobicContact CB-CB 4.12Å; M404-D408 HydrophobicContact CE-CB 3.85Å; M404-D408 WeakPolarHBondContact CE-O 3.29Å; M404-D408 HydrophobicContact CG-CB 3.84Å; M404-L410 HydrophobicContact CE-CB 3.89Å; M404-L410 HydrophobicContact SD-CB 3.93Å | ||
| 405 | G | 87.9 | Confident | 86 | Confident | 39 Ų | 39 | 50 Ų | 50 | 40% | 0.402 | 28% | 0.283 | S | S | . | . | trans | -97.1 | -172 | 167.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | D407 D408 | G405-D407 VanDerWaalsContact C-N 3.26Å; G405-D407 PolarHBondContact O-N 2.91Å; G405-D408 WeakPolarHBondContact CA-OD2 3.31Å; G405-D408 PolarHBondContact N-OD2 2.64Å; G405-D408 PolarHBondContact O-N 3.48Å | ||
| 406 | A | 87.6 | Confident | 86.6 | Confident | 94 Ų | 94 | 43.6 Ų | 43.6 | 78% | 0.777 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -21.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 407 | D | 90.8 | Very high | 87.1 | Confident | 114 Ų | 114 | 45.8 Ų | 45.8 | 61% | 0.61 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | 5.9 | 179.4 | -61.7 | -37.5 | 0 | 0 | 0 | 112.3 | Y335 N336 G405 | Y335-D407 CarbonylContact C-O 3.56Å; Y335-D407 WeakPolarHBondContact CA-O 3.36Å; Y335-D407 WeakPolarHBondContact CB-O 3.38Å; Y335-D407 VanDerWaalsContact CD1-O 3.29Å; Y335-D407 WeakPolarHBondContact CD1-O 3.4Å; N336-D407 PolarHBondContact N-O 2.88Å; G405-D407 VanDerWaalsContact C-N 3.26Å; G405-D407 PolarHBondContact O-N 2.91Å |
| 408 | D | 93.9 | Very high | 87.5 | Confident | 28 Ų | 28 | 44.4 Ų | 44.4 | 15% | 0.15 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 141.2 | -179.3 | -59.1 | -53.3 | 0 | 0 | 0 | 111.5 | N336 M404 G405 | N336-D408 VanDerWaalsContact CB-OD1 3.25Å; N336-D408 WeakPolarHBondContact CB-OD1 3.29Å; N336-D408 PolarHBondContact ND2-OD1 2.58Å; M404-D408 HydrophobicContact CB-CB 4.12Å; M404-D408 HydrophobicContact CE-CB 3.85Å; M404-D408 WeakPolarHBondContact CE-O 3.29Å; M404-D408 HydrophobicContact CG-CB 3.84Å; G405-D408 WeakPolarHBondContact CA-OD2 3.31Å; G405-D408 PolarHBondContact N-OD2 2.64Å; G405-D408 PolarHBondContact O-N 3.48Å |
| 409 | L | 94.2 | Very high | 88 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 133.1 | 173.7 | 177.9 | 153.5 | 0 | 0 | 0 | 109.3 | L309 V311 F332 Y335 N336 I337 N338 L411 | L309-L409 HydrophobicContact CD2-CB 4.43Å; L309-L409 HydrophobicContact CD2-CD1 3.75Å; L309-L409 HydrophobicContact CD2-CG 4.27Å; L309-L409 HydrophobicContact CG-CD1 4.1Å; L309-L409 HydrophobicContact CG-CG 4.21Å; V311-L409 HydrophobicContact CG2-CD1 3.96Å; V311-L409 HydrophobicContact CG2-CG 4.37Å; F332-L409 HydrophobicContact CB-CD1 4.07Å; F332-L409 HydrophobicContact CD1-CD1 3.47Å; F332-L409 VanDerWaalsContact CD1-CD1 3.47Å; F332-L409 HydrophobicContact CD2-CD1 3.55Å; F332-L409 HydrophobicContact CE1-CD1 3.67Å; F332-L409 HydrophobicContact CE2-CD1 3.73Å; F332-L409 HydrophobicContact CG-CD1 3.42Å; F332-L409 VanDerWaalsContact CG-CD1 3.42Å; F332-L409 HydrophobicContact CZ-CD1 3.8Å; Y335-L409 HydrophobicContact CD1-CB 3.97Å; Y335-L409 HydrophobicContact CG-CB 4.27Å; N336-L409 PolarHBondContact O-N 3.18Å; I337-L409 HydrophobicContact CD1-CB 3.94Å; I337-L409 HydrophobicContact CD1-CD1 4.46Å; I337-L409 HydrophobicContact CD1-CD2 4.19Å; I337-L409 HydrophobicContact CD1-CG 4.43Å; I337-L409 HydrophobicContact CG2-CD2 4.06Å; N338-L409 PolarHBondContact N-O 2.79Å; L409-L411 HydrophobicContact CD2-CB 3.71Å |
| 410 | L | 94.5 | Very high | 88 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 117 | 166.6 | 175.5 | 60.1 | 0 | 0 | 0 | 110 | L309 I310 V311 N338 L340 L397 L400 L401 M404 I412 | L309-L410 PolarHBondContact O-N 3.13Å; I310-L410 WeakPolarHBondContact CA-O 3.36Å; I310-L410 HydrophobicContact CD1-CD2 4.43Å; I310-L410 HydrophobicContact CG1-CB 4.24Å; I310-L410 HydrophobicContact CG1-CD2 4.27Å; I310-L410 HydrophobicContact CG2-CB 4.4Å; I310-L410 HydrophobicContact CG2-CD2 4.12Å; I310-L410 HydrophobicContact CG2-CG 4.26Å; V311-L410 PolarHBondContact N-O 2.85Å; N338-L410 HydrophobicContact CB-CD1 4.26Å; N338-L410 CarbonylContact O-C 3.54Å; N338-L410 WeakPolarHBondContact O-CA 3.25Å; N338-L410 WeakPolarHBondContact O-CD1 3.13Å; L340-L410 HydrophobicContact CB-CD1 4.16Å; L397-L410 HydrophobicContact CD1-CD2 3.17Å; L400-L410 HydrophobicContact CD2-CD1 3.61Å; L401-L410 HydrophobicContact CD2-CD2 4.15Å; M404-L410 HydrophobicContact CE-CB 3.89Å; M404-L410 HydrophobicContact SD-CB 3.93Å; L410-I412 HydrophobicContact CD1-CG1 4.47Å; L410-I412 HydrophobicContact CD2-CD1 4.26Å; L410-I412 HydrophobicContact CD2-CG1 4.23Å; L410-I412 HydrophobicContact CG-CG1 4.04Å |
| 411 | L | 94.9 | Very high | 87.5 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 115.2 | 172.4 | 176.2 | 61.4 | 0 | 0 | 0 | 109.7 | V311 L324 V328 I337 N338 I339 L340 L409 T413 | V311-L411 HydrophobicContact CB-CD1 4.38Å; V311-L411 HydrophobicContact CG1-CD1 4.29Å; V311-L411 CarbonylContact O-C 3.38Å; V311-L411 WeakPolarHBondContact O-CA 3.46Å; L324-L411 HydrophobicContact CD1-CD1 4.11Å; L324-L411 HydrophobicContact CD1-CD2 4.13Å; L324-L411 HydrophobicContact CD2-CD2 4.17Å; L324-L411 HydrophobicContact CG-CD2 4.32Å; V328-L411 HydrophobicContact CG2-CD2 3.84Å; I337-L411 HydrophobicContact CG2-CB 4.4Å; N338-L411 PolarHBondContact O-N 2.87Å; I339-L411 CarbonylContact C-O 3.53Å; I339-L411 VanDerWaalsContact CA-O 3.31Å; I339-L411 WeakPolarHBondContact CA-O 3.28Å; I339-L411 HydrophobicContact CD1-CD2 4.29Å; I339-L411 HydrophobicContact CG1-CB 4.33Å; I339-L411 HydrophobicContact CG1-CD2 4.31Å; I339-L411 HydrophobicContact CG2-CD2 4.35Å; I339-L411 HydrophobicContact CG2-CG 4.45Å; L340-L411 PolarHBondContact N-O 2.94Å; L409-L411 HydrophobicContact CD2-CB 3.71Å; L411-T413 HydrophobicContact CD2-CG2 4.36Å; L411-T413 HydrophobicContact CG-CG2 4.22Å |
| 412 | I | 93.8 | Very high | 86.9 | Confident | 4 Ų | 4 | 37.2 Ų | 37.2 | 2% | 0.021 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 118.1 | 173.7 | -50.5 | -179.1 | 0 | 0 | 0 | 108.1 | I310 V311 M312 D313 L340 L410 F418 V419 V423 | I310-I412 HydrophobicContact CG2-CD1 3.92Å; I310-I412 HydrophobicContact CG2-CG1 4.27Å; V311-I412 PolarHBondContact O-N 2.56Å; M312-I412 WeakPolarHBondContact CA-O 3.45Å; M312-I412 HydrophobicContact CG-CB 4.12Å; M312-I412 HydrophobicContact CG-CD1 4.41Å; D313-I412 PolarHBondContact N-O 2.83Å; L340-I412 HydrophobicContact CB-CG1 4.44Å; L340-I412 HydrophobicContact CD2-CG2 4.47Å; L340-I412 WeakPolarHBondContact O-CA 3.43Å; L410-I412 HydrophobicContact CD1-CG1 4.47Å; L410-I412 HydrophobicContact CD2-CD1 4.26Å; L410-I412 HydrophobicContact CD2-CG1 4.23Å; L410-I412 HydrophobicContact CG-CG1 4.04Å; I412-F418 HydrophobicContact CG2-CD1 4.4Å; I412-F418 HydrophobicContact CG2-CE1 3.75Å; I412-F418 HydrophobicContact CG2-CZ 4.34Å; I412-V419 HydrophobicContact CG2-CG2 4.42Å; I412-V423 HydrophobicContact CD1-CG1 3.66Å; I412-V423 HydrophobicContact CG2-CG1 4.31Å; I412-V423 HydrophobicContact CG2-CG2 4Å |
| 413 | T | 94.9 | Very high | 86.5 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 174.6 | -172.1 | -162.9 | 0 | 0 | 0 | 0 | 115.6 | D313 M321 L324 I339 L340 F341 S342 L356 L411 | D313-T413 WeakPolarHBondContact O-CA 3.25Å; D313-T413 VanDerWaalsContact O-CB 3.27Å; D313-T413 WeakPolarHBondContact O-CB 3.48Å; D313-T413 PolarHBondContact O-OG1 2.81Å; M321-T413 HydrophobicContact CE-CG2 4.46Å; L324-T413 HydrophobicContact CD2-CG2 3.89Å; L324-T413 WeakPolarHBondContact CD2-OG1 3.29Å; I339-T413 HydrophobicContact CG2-CG2 3.79Å; L340-T413 PolarHBondContact O-N 3.26Å; F341-T413 WeakPolarHBondContact CA-O 3.19Å; F341-T413 HydrophobicContact CD2-CG2 3.96Å; S342-T413 PolarHBondContact N-O 2.91Å; L356-T413 HydrophobicContact CD2-CG2 4.4Å; L411-T413 HydrophobicContact CD2-CG2 4.36Å; L411-T413 HydrophobicContact CG-CG2 4.22Å |
| 414 | G | 92.4 | Very high | 86 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 108.9 | -124.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | G314 A315 H316 S342 L416 | G314-G414 CarbonylContact C-O 3.56Å; A315-G414 CarbonylContact C-O 3.6Å; A315-G414 VanDerWaalsContact C-O 3.29Å; A315-G414 PolarHBondContact N-O 2.7Å; H316-G414 VanDerWaalsContact CA-O 3.29Å; H316-G414 WeakPolarHBondContact CA-O 3.46Å; H316-G414 WeakPolarHBondContact CB-O 3.38Å; H316-G414 PolarHBondContact N-O 2.76Å; S342-G414 CarbonylContact O-C 3.53Å; S342-G414 VanDerWaalsContact O-CA 3.29Å; S342-G414 WeakPolarHBondContact O-CA 3.5Å; G414-L416 PolarHBondContact O-N 3.13Å |
| 415 | S | 88.8 | Confident | 84.6 | Confident | 5 Ų | 5 | 30.7 Ų | 30.7 | 4% | 0.035 | 17% | 0.174 | C | C | . | . | trans | -56.4 | 129.9 | -178.5 | 177.7 | 0 | 0 | 0 | 0 | 110.7 | S342 Y417 F418 V419 | S342-S415 PolarHBondContact O-N 3.1Å; S415-Y417 PolarHBondContact O-N 2.8Å; S415-Y417 PolarHBondContact OG-N 3.27Å; S415-F418 WeakPolarHBondContact O-CB 3.2Å; S415-F418 PolarHBondContact O-N 3Å; S415-F418 VanDerWaalsContact O-N 3.07Å; S415-V419 PolarHBondContact O-N 3.06Å | ||
| 416 | L | 83.5 | Confident | 83.4 | Confident | 17 Ų | 17 | 33.6 Ų | 33.6 | 9% | 0.089 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -55.3 | -43.7 | 171.1 | -81.1 | 164.1 | 0 | 0 | 0 | 110.5 | P73 I75 A299 H316 G414 F418 V419 S420 | P73-L416 HydrophobicContact CG-CD1 4.35Å; I75-L416 HydrophobicContact CG2-CD2 4.25Å; A299-L416 HydrophobicContact CB-CD2 4.34Å; H316-L416 WeakPolarHBondContact ND1-CD1 3.1Å; G414-L416 PolarHBondContact O-N 3.13Å; L416-F418 VanDerWaalsContact C-N 3.27Å; L416-F418 PolarHBondContact O-N 3.21Å; L416-V419 PolarHBondContact O-N 2.77Å; L416-S420 WeakPolarHBondContact O-CB 3.38Å; L416-S420 PolarHBondContact O-N 3.35Å; L416-S420 PolarHBondContact O-OG 3.22Å |
| 417 | Y | 82.7 | Confident | 82.1 | Confident | 60 Ų | 60 | 37.8 Ų | 37.8 | 24% | 0.235 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -57.7 | -37 | 176.4 | -58.1 | -71.8 | 0 | 0 | 0 | 113.2 | L344 Y371 S415 E421 E422 | L344-Y417 HydrophobicContact CD1-CD2 3.99Å; L344-Y417 HydrophobicContact CD1-CE2 4Å; Y371-Y417 HydrophobicContact CD2-CD1 4.46Å; Y371-Y417 HydrophobicContact CD2-CG 4.3Å; Y371-Y417 HydrophobicContact CE1-CD2 4.1Å; Y371-Y417 HydrophobicContact CE1-CE2 4.23Å; Y371-Y417 HydrophobicContact CE1-CG 4.38Å; Y371-Y417 AromaticContact CE2-CD1 3.62Å; Y371-Y417 HydrophobicContact CE2-CD1 3.62Å; Y371-Y417 HydrophobicContact CE2-CD2 4.29Å; Y371-Y417 HydrophobicContact CE2-CE1 4.04Å; Y371-Y417 AromaticContact CE2-CG 3.77Å; Y371-Y417 HydrophobicContact CE2-CG 3.77Å; Y371-Y417 AromaticContact CZ-CD1 3.81Å; Y371-Y417 AromaticContact CZ-CD2 3.88Å; Y371-Y417 AromaticContact CZ-CE1 3.87Å; Y371-Y417 AromaticContact CZ-CE2 3.92Å; Y371-Y417 AromaticContact CZ-CG 3.83Å; Y371-Y417 AromaticContact CZ-CZ 3.92Å; Y371-Y417 VanDerWaalsContact OH-CE1 3.27Å; Y371-Y417 WeakPolarHBondContact OH-CE1 3.09Å; S415-Y417 PolarHBondContact O-N 2.8Å; S415-Y417 PolarHBondContact OG-N 3.27Å; Y417-E421 WeakPolarHBondContact CD1-OE1 3.48Å; Y417-E421 WeakPolarHBondContact O-CA 3.02Å; Y417-E421 VanDerWaalsContact O-CB 3.31Å; Y417-E421 WeakPolarHBondContact O-CB 3.5Å; Y417-E421 PolarHBondContact O-N 3.28Å; Y417-E422 PolarHBondContact O-N 3.49Å |
| 418 | F | 86.9 | Confident | 81.1 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | I | π-helix | trans | -69.3 | -50.4 | 177.5 | 172.3 | -118.6 | 0 | 0 | 0 | 110.7 | L340 T367 F369 W393 I412 S415 L416 S420 E422 V423 | L340-F418 HydrophobicContact CD2-CE1 4.44Å; L340-F418 HydrophobicContact CD2-CZ 3.86Å; L340-F418 HydrophobicContact CG-CE1 4.18Å; L340-F418 HydrophobicContact CG-CZ 3.88Å; T367-F418 HydrophobicContact CG2-CE1 4.29Å; T367-F418 HydrophobicContact CG2-CE2 3.79Å; T367-F418 HydrophobicContact CG2-CZ 3.55Å; F369-F418 HydrophobicContact CB-CD2 4.1Å; F369-F418 HydrophobicContact CD1-CB 4.03Å; F369-F418 HydrophobicContact CD1-CD2 4.07Å; F369-F418 HydrophobicContact CD1-CG 4.36Å; F369-F418 HydrophobicContact CE1-CB 3.93Å; F369-F418 HydrophobicContact CE2-CB 4.36Å; F369-F418 HydrophobicContact CG-CB 4.35Å; F369-F418 HydrophobicContact CG-CD2 4.09Å; F369-F418 HydrophobicContact CZ-CB 4.11Å; W393-F418 HydrophobicContact CD2-CE2 4.31Å; W393-F418 HydrophobicContact CG-CE2 4.15Å; I412-F418 HydrophobicContact CG2-CD1 4.4Å; I412-F418 HydrophobicContact CG2-CE1 3.75Å; I412-F418 HydrophobicContact CG2-CZ 4.34Å; S415-F418 WeakPolarHBondContact O-CB 3.2Å; S415-F418 PolarHBondContact O-N 3Å; S415-F418 VanDerWaalsContact O-N 3.07Å; L416-F418 VanDerWaalsContact C-N 3.27Å; L416-F418 PolarHBondContact O-N 3.21Å; F418-S420 PolarHBondContact O-N 3.45Å; F418-E422 HydrophobicContact CD2-CB 4.24Å; F418-E422 WeakPolarHBondContact O-CB 3.45Å; F418-E422 PolarHBondContact O-N 3.29Å; F418-V423 HydrophobicContact CD2-CG2 4.28Å; F418-V423 HydrophobicContact CE1-CG2 4.3Å; F418-V423 HydrophobicContact CE2-CG2 3.82Å; F418-V423 HydrophobicContact CZ-CG2 3.83Å; F418-V423 WeakPolarHBondContact O-CG2 3.48Å; F418-V423 PolarHBondContact O-N 2.94Å; F418-V423 VanDerWaalsContact O-N 3.08Å |
| 419 | V | 86.4 | Confident | 80.1 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.006 | 20% | 0.203 | C | C | . | . | I | π-helix | trans | -64.7 | -40.2 | -178 | 177.8 | 0 | 0 | 0 | 0 | 111.5 | A299 M312 I412 S415 L416 R424 | A299-V419 HydrophobicContact CB-CG1 3.74Å; M312-V419 HydrophobicContact CB-CG1 3.84Å; M312-V419 HydrophobicContact CG-CG1 4.33Å; M312-V419 HydrophobicContact SD-CG1 3.82Å; I412-V419 HydrophobicContact CG2-CG2 4.42Å; S415-V419 PolarHBondContact O-N 3.06Å; L416-V419 PolarHBondContact O-N 2.77Å; V419-R424 PolarHBondContact O-N 3.15Å |
| 420 | S | 76.5 | Confident | 79.5 | Confident | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.014 | 22% | 0.221 | C | C | . | . | I | π-helix | trans | -93.7 | -55.5 | -173.8 | 66.9 | 0 | 0 | 0 | 0 | 114.1 | I75 L416 F418 R424 M425 | I75-S420 WeakPolarHBondContact O-CB 3.46Å; I75-S420 PolarHBondContact O-OG 2.73Å; L416-S420 WeakPolarHBondContact O-CB 3.38Å; L416-S420 PolarHBondContact O-N 3.35Å; L416-S420 PolarHBondContact O-OG 3.22Å; F418-S420 PolarHBondContact O-N 3.45Å; S420-R424 WeakPolarHBondContact O-CB 3.23Å; S420-M425 WeakPolarHBondContact O-CB 3.09Å; S420-M425 WeakPolarHBondContact O-CG 3.31Å; S420-M425 PolarHBondContact O-N 3.22Å |
| 421 | E | 70.7 | Confident | 78.9 | Confident | 61 Ų | 61 | 48.1 Ų | 48.1 | 29% | 0.285 | 23% | 0.233 | S | C | . | . | I | π-helix | trans | -77.1 | -33.9 | -172.2 | -61.1 | -175.9 | 177.8 | 0 | 0 | 112 | Y417 | Y417-E421 WeakPolarHBondContact CD1-OE1 3.48Å; Y417-E421 WeakPolarHBondContact O-CA 3.02Å; Y417-E421 VanDerWaalsContact O-CB 3.31Å; Y417-E421 WeakPolarHBondContact O-CB 3.5Å; Y417-E421 PolarHBondContact O-N 3.28Å |
| 422 | E | 71.5 | Confident | 78.4 | Confident | 19 Ų | 19 | 56 Ų | 56 | 9% | 0.089 | 27% | 0.273 | C | S | . | . | I | π-helix | trans | -95.1 | -52.7 | -175 | -72.4 | -71.4 | 132.6 | 0 | 0 | 113.3 | F369 W393 Y417 F418 K426 | F369-E422 HydrophobicContact CB-CG 3.86Å; F369-E422 HydrophobicContact CD2-CG 3.71Å; F369-E422 HydrophobicContact CG-CG 4.16Å; W393-E422 HydrophobicContact CZ2-CB 4.34Å; Y417-E422 PolarHBondContact O-N 3.49Å; F418-E422 HydrophobicContact CD2-CB 4.24Å; F418-E422 WeakPolarHBondContact O-CB 3.45Å; F418-E422 PolarHBondContact O-N 3.29Å; E422-K426 WeakPolarHBondContact OE1-CE 3.5Å; E422-K426 IonicContact OE1-NZ 2.69Å; E422-K426 PolarHBondContact OE1-NZ 3.25Å; E422-K426 IonicContact OE2-NZ 2.67Å; E422-K426 PolarHBondContact OE2-NZ 3.06Å |
| 423 | V | 74 | Confident | 77.9 | Confident | 32 Ų | 32 | 57.7 Ų | 57.7 | 19% | 0.194 | 28% | 0.281 | C | S | . | . | I | π-helix | trans | -79.3 | -41.1 | -175.1 | 176.4 | 0 | 0 | 0 | 0 | 111.8 | M312 W393 I412 F418 | M312-V423 HydrophobicContact SD-CG1 3.91Å; W393-V423 HydrophobicContact CE3-CG2 4.39Å; W393-V423 HydrophobicContact CH2-CB 4.3Å; W393-V423 HydrophobicContact CH2-CG2 3.88Å; W393-V423 HydrophobicContact CZ2-CG2 4.13Å; W393-V423 HydrophobicContact CZ3-CG2 4.02Å; I412-V423 HydrophobicContact CD1-CG1 3.66Å; I412-V423 HydrophobicContact CG2-CG1 4.31Å; I412-V423 HydrophobicContact CG2-CG2 4Å; F418-V423 HydrophobicContact CD2-CG2 4.28Å; F418-V423 HydrophobicContact CE1-CG2 4.3Å; F418-V423 HydrophobicContact CE2-CG2 3.82Å; F418-V423 HydrophobicContact CZ-CG2 3.83Å; F418-V423 WeakPolarHBondContact O-CG2 3.48Å; F418-V423 PolarHBondContact O-N 2.94Å; F418-V423 VanDerWaalsContact O-N 3.08Å |
| 424 | R | 72.7 | Confident | 77.3 | Confident | 82 Ų | 82 | 62.8 Ų | 62.8 | 31% | 0.309 | 31% | 0.308 | S | S | . | . | I | π-helix | trans | -91.1 | -48.7 | -175.5 | -168.9 | -173.3 | -169.2 | 131.3 | 8 | 114 | E76 E302 M312 V419 S420 | E76-R424 WeakPolarHBondContact OE1-CD 3.49Å; E76-R424 IonicContact OE1-CZ 2.96Å; E76-R424 IonicContact OE1-NE 3.91Å; E76-R424 PolarHBondContact OE1-NE 3.01Å; E76-R424 IonicContact OE1-NH1 3.09Å; E76-R424 PolarHBondContact OE1-NH1 3.21Å; E76-R424 IonicContact OE1-NH2 2.68Å; E76-R424 PolarHBondContact OE1-NH2 3.42Å; E76-R424 IonicContact OE2-NE 3.81Å; E302-R424 IonicContact OE1-CZ 3.93Å; E302-R424 VanDerWaalsContact OE1-CZ 3.32Å; E302-R424 IonicContact OE1-NH1 3.57Å; E302-R424 PolarHBondContact OE1-NH1 3.21Å; E302-R424 IonicContact OE1-NH2 3.68Å; E302-R424 PolarHBondContact OE1-NH2 3.41Å; E302-R424 IonicContact OE2-CZ 2.94Å; E302-R424 IonicContact OE2-NH1 3.45Å; E302-R424 PolarHBondContact OE2-NH1 2.88Å; E302-R424 IonicContact OE2-NH2 3.41Å; M312-R424 HydrophobicContact CE-CB 4.22Å; M312-R424 HydrophobicContact CE-CG 4.3Å; V419-R424 PolarHBondContact O-N 3.15Å; S420-R424 WeakPolarHBondContact O-CB 3.23Å |
| 425 | M | 57.7 | Low | 77 | Confident | 85 Ų | 85 | 68.2 Ų | 68.2 | 42% | 0.419 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -79 | -18 | -166.9 | -76.6 | -72 | -81.6 | 0 | 0 | 114.7 | E76 S420 K427 | E76-M425 HydrophobicContact CB-SD 4.34Å; S420-M425 WeakPolarHBondContact O-CB 3.09Å; S420-M425 WeakPolarHBondContact O-CG 3.31Å; S420-M425 PolarHBondContact O-N 3.22Å; M425-K427 PolarHBondContact O-N 3.46Å |
| 426 | K | 62.6 | Low | 76.7 | Confident | 100 Ų | 100 | 71.8 Ų | 71.8 | 44% | 0.435 | 35% | 0.353 | S | S | . | . | trans | -72.6 | 69.2 | 171.9 | -73.4 | -177.5 | 176.3 | 169.7 | 0 | 110.2 | E422 V428 | E422-K426 WeakPolarHBondContact OE1-CE 3.5Å; E422-K426 IonicContact OE1-NZ 2.69Å; E422-K426 PolarHBondContact OE1-NZ 3.25Å; E422-K426 IonicContact OE2-NZ 2.67Å; E422-K426 PolarHBondContact OE2-NZ 3.06Å; K426-V428 PolarHBondContact O-N 3.27Å | ||
| 427 | K | 61.3 | Low | 76.5 | Confident | 182 Ų | 182 | 71.9 Ų | 71.9 | 79% | 0.791 | 36% | 0.358 | S | S | * | . | trans | -53.8 | 127.4 | 164.4 | -73.4 | -173.4 | 179.7 | 179.9 | 0 | 107.7 | M425 K429 | M425-K427 PolarHBondContact O-N 3.46Å; K427-K429 PolarHBondContact O-N 3.29Å | ||
| 428 | V | 68.7 | Low | 76.6 | Confident | 79 Ų | 79 | 73.3 Ų | 73.3 | 48% | 0.479 | 37% | 0.37 | S | S | . | . | trans | -59.9 | 107.2 | 174.2 | -178.8 | 0 | 0 | 0 | 0 | 107.7 | K426 G430 I431 I531 | K426-V428 PolarHBondContact O-N 3.27Å; V428-G430 VanDerWaalsContact C-N 3.29Å; V428-I431 HydrophobicContact CG1-CD1 4.09Å; V428-I431 HydrophobicContact CG1-CG1 3.5Å; V428-I531 HydrophobicContact CB-CD1 4.45Å; V428-I531 HydrophobicContact CB-CG2 4.24Å; V428-I531 HydrophobicContact CG1-CG2 3.71Å | ||
| 429 | K | 74.1 | Confident | 76.7 | Confident | 194 Ų | 194 | 74.3 Ų | 74.3 | 84% | 0.843 | 38% | 0.375 | S | S | * | . | trans | -78.1 | -19.6 | -180 | -69.4 | -171.1 | 178.4 | 179.2 | 0 | 112.6 | K427 P532 | K427-K429 PolarHBondContact O-N 3.29Å; K429-P532 VanDerWaalsContact O-CD 3.32Å; K429-P532 WeakPolarHBondContact O-CD 3.32Å; K429-P532 VanDerWaalsContact O-CG 3.32Å; K429-P532 WeakPolarHBondContact O-CG 3.32Å | ||
| 430 | G | 80.3 | Confident | 76.9 | Confident | 38 Ų | 38 | 77.2 Ų | 77.2 | 39% | 0.392 | 39% | 0.388 | S | S | . | . | trans | 177 | 160.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | V428 P532 | V428-G430 VanDerWaalsContact C-N 3.29Å; G430-P532 CarbonylContact C-O 3.56Å; G430-P532 WeakPolarHBondContact CA-O 3.04Å | ||
| 431 | I | 83.4 | Confident | 77.6 | Confident | 49 Ų | 49 | 78.8 Ų | 78.8 | 25% | 0.251 | 40% | 0.396 | S | S | . | . | trans | -117.5 | 123.1 | 178.8 | -58.4 | -173.4 | 0 | 0 | 0 | 108.3 | V428 F433 L526 I531 P532 R533 | V428-I431 HydrophobicContact CG1-CD1 4.09Å; V428-I431 HydrophobicContact CG1-CG1 3.5Å; I431-F433 HydrophobicContact CB-CE2 4.35Å; I431-F433 HydrophobicContact CB-CZ 4.23Å; I431-F433 HydrophobicContact CG2-CD1 3.99Å; I431-F433 HydrophobicContact CG2-CD2 4.38Å; I431-F433 HydrophobicContact CG2-CE1 3.56Å; I431-F433 HydrophobicContact CG2-CE2 4.01Å; I431-F433 HydrophobicContact CG2-CG 4.4Å; I431-F433 HydrophobicContact CG2-CZ 3.61Å; I431-L526 HydrophobicContact CD1-CD1 3.91Å; I431-L526 HydrophobicContact CD1-CD2 3.41Å; I431-L526 VanDerWaalsContact CD1-CD2 3.41Å; I431-L526 HydrophobicContact CD1-CG 4.31Å; I431-L526 HydrophobicContact CG1-CD2 4.44Å; I431-I531 HydrophobicContact CD1-CG2 4.3Å; I431-I531 HydrophobicContact CG1-CG2 4.03Å; I431-P532 PolarHBondContact N-O 2.88Å; I431-R533 WeakPolarHBondContact O-CA 3.36Å; I431-R533 VanDerWaalsContact O-OXT 3.14Å | ||
| 432 | I | 84.6 | Confident | 78.6 | Confident | 166 Ų | 166 | 76.4 Ų | 76.4 | 85% | 0.851 | 39% | 0.385 | S | S | * | . | P | Polyproline II helix | trans | -94.2 | 122 | 170.6 | -61.2 | 173.6 | 0 | 0 | 0 | 107 | ||
| 433 | F | 83.3 | Confident | 79.4 | Confident | 40 Ų | 40 | 78 Ų | 78 | 18% | 0.175 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -94.9 | 139.2 | 174.3 | -64.3 | -69 | 0 | 0 | 0 | 110.8 | I431 L438 L439 L522 L523 L526 R533 | I431-F433 HydrophobicContact CB-CE2 4.35Å; I431-F433 HydrophobicContact CB-CZ 4.23Å; I431-F433 HydrophobicContact CG2-CD1 3.99Å; I431-F433 HydrophobicContact CG2-CD2 4.38Å; I431-F433 HydrophobicContact CG2-CE1 3.56Å; I431-F433 HydrophobicContact CG2-CE2 4.01Å; I431-F433 HydrophobicContact CG2-CG 4.4Å; I431-F433 HydrophobicContact CG2-CZ 3.61Å; F433-L438 HydrophobicContact CB-CD2 4.37Å; F433-L438 HydrophobicContact CD1-CD2 3.93Å; F433-L439 HydrophobicContact CB-CD1 3.66Å; F433-L439 HydrophobicContact CB-CD2 4.41Å; F433-L439 HydrophobicContact CB-CG 4.02Å; F433-L439 HydrophobicContact CD1-CD2 4.1Å; F433-L439 HydrophobicContact CD2-CD1 4.25Å; F433-L439 HydrophobicContact CE1-CD2 4.5Å; F433-L439 HydrophobicContact CG-CD1 4Å; F433-L439 HydrophobicContact CG-CD2 4.13Å; F433-L439 HydrophobicContact CG-CG 4.27Å; F433-L522 HydrophobicContact CE1-CD2 3.78Å; F433-L522 HydrophobicContact CZ-CD2 4.01Å; F433-L522 HydrophobicContact CZ-CG 4.39Å; F433-L523 HydrophobicContact CE2-CD2 4.18Å; F433-L526 HydrophobicContact CE2-CD1 3.84Å; F433-L526 HydrophobicContact CZ-CD1 3.51Å; F433-R533 HydrophobicContact CD2-CB 4.26Å; F433-R533 HydrophobicContact CE2-CB 3.74Å |
| 434 | D | 82.1 | Confident | 80.2 | Confident | 106 Ų | 106 | 79.5 Ų | 79.5 | 57% | 0.567 | 40% | 0.404 | S | S | * | . | P | Polyproline II helix | trans | -67.4 | 136.4 | 148.8 | -164.8 | -1.8 | 0 | 0 | 0 | 108.2 | D436 L438 | D434-D436 PolarHBondContact OD1-N 3.18Å; D434-L438 HydrophobicContact CB-CB 4.36Å; D434-L438 HydrophobicContact CB-CD2 4.35Å; D434-L438 WeakPolarHBondContact O-CB 3.37Å |
| 435 | M | 85.2 | Confident | 81.2 | Confident | 115 Ų | 115 | 76.3 Ų | 76.3 | 57% | 0.567 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -41.4 | 175.9 | -75.2 | 177.8 | 67.2 | 0 | 0 | 110.2 | L439 F440 | M435-L439 HydrophobicContact CG-CD1 4.44Å; M435-L439 PolarHBondContact O-N 3.14Å; M435-F440 HydrophobicContact CB-CD2 3.94Å; M435-F440 HydrophobicContact CB-CE2 4.17Å; M435-F440 HydrophobicContact CE-CD2 4.06Å; M435-F440 HydrophobicContact CE-CE2 3.3Å; M435-F440 HydrophobicContact CE-CZ 4.03Å; M435-F440 HydrophobicContact CG-CE2 4.26Å; M435-F440 WeakPolarHBondContact O-CD2 3.47Å; M435-F440 PolarHBondContact O-N 3.18Å |
| 436 | D | 83.1 | Confident | 82.9 | Confident | 79 Ų | 79 | 74.7 Ų | 74.7 | 42% | 0.422 | 38% | 0.383 | S | S | . | . | B | Isolated β-bridge | trans | -75.9 | 131.1 | -175.9 | -163.9 | -20.9 | 0 | 0 | 0 | 109.9 | D434 L438 T442 | D434-D436 PolarHBondContact OD1-N 3.18Å; D436-L438 PolarHBondContact O-N 3.42Å; D436-T442 WeakPolarHBondContact OD1-CB 3.41Å; D436-T442 VanDerWaalsContact OD1-CG2 3.32Å; D436-T442 WeakPolarHBondContact OD1-CG2 3.36Å; D436-T442 PolarHBondContact OD1-OG1 3.48Å |
| 437 | G | 79.5 | Confident | 84.3 | Confident | 19 Ų | 19 | 70.7 Ų | 70.7 | 20% | 0.196 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68.4 | -16 | 176.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | F440 T442 K516 | G437-F440 PolarHBondContact N-O 3.42Å; G437-T442 PolarHBondContact N-OG1 3.26Å; G437-K516 VanDerWaalsContact O-CD 3.27Å; G437-K516 WeakPolarHBondContact O-CD 3.47Å; G437-K516 WeakPolarHBondContact O-CE 3.38Å; G437-K516 PolarHBondContact O-NZ 2.92Å |
| 438 | L | 83.5 | Confident | 85.9 | Confident | 91 Ų | 91 | 67.9 Ų | 67.9 | 48% | 0.476 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | -55 | 178.7 | -179.7 | 68.9 | 0 | 0 | 0 | 112.1 | F433 D434 D436 | F433-L438 HydrophobicContact CB-CD2 4.37Å; F433-L438 HydrophobicContact CD1-CD2 3.93Å; D434-L438 HydrophobicContact CB-CB 4.36Å; D434-L438 HydrophobicContact CB-CD2 4.35Å; D434-L438 WeakPolarHBondContact O-CB 3.37Å; D436-L438 PolarHBondContact O-N 3.42Å |
| 439 | L | 89 | Confident | 87.2 | Confident | 21 Ų | 21 | 64.2 Ų | 64.2 | 11% | 0.11 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -47.9 | 177.6 | -63.2 | -177.4 | 0 | 0 | 0 | 111.7 | F433 M435 L515 K516 V519 | F433-L439 HydrophobicContact CB-CD1 3.66Å; F433-L439 HydrophobicContact CB-CD2 4.41Å; F433-L439 HydrophobicContact CB-CG 4.02Å; F433-L439 HydrophobicContact CD1-CD2 4.1Å; F433-L439 HydrophobicContact CD2-CD1 4.25Å; F433-L439 HydrophobicContact CE1-CD2 4.5Å; F433-L439 HydrophobicContact CG-CD1 4Å; F433-L439 HydrophobicContact CG-CD2 4.13Å; F433-L439 HydrophobicContact CG-CG 4.27Å; M435-L439 HydrophobicContact CG-CD1 4.44Å; M435-L439 PolarHBondContact O-N 3.14Å; L439-L515 CarbonylContact O-C 3.58Å; L439-L515 VanDerWaalsContact O-CA 3.28Å; L439-L515 WeakPolarHBondContact O-CA 3.27Å; L439-L515 WeakPolarHBondContact O-CD2 3.34Å; L439-K516 PolarHBondContact O-N 3.43Å; L439-V519 HydrophobicContact CD2-CG1 3.87Å; L439-V519 HydrophobicContact CD2-CG2 4.15Å |
| 440 | F | 91.3 | Very high | 88.3 | Confident | 62 Ų | 62 | 56 Ų | 56 | 27% | 0.272 | 30% | 0.301 | S | S | . | . | B | Isolated β-bridge | trans | -95.4 | 135.2 | 179.9 | -67.7 | -79.8 | 0 | 0 | 0 | 110.1 | M435 G437 T442 V513 L515 | M435-F440 HydrophobicContact CB-CD2 3.94Å; M435-F440 HydrophobicContact CB-CE2 4.17Å; M435-F440 HydrophobicContact CE-CD2 4.06Å; M435-F440 HydrophobicContact CE-CE2 3.3Å; M435-F440 HydrophobicContact CE-CZ 4.03Å; M435-F440 HydrophobicContact CG-CE2 4.26Å; M435-F440 WeakPolarHBondContact O-CD2 3.47Å; M435-F440 PolarHBondContact O-N 3.18Å; G437-F440 PolarHBondContact N-O 3.42Å; F440-T442 HydrophobicContact CB-CG2 4.11Å; F440-T442 PolarHBondContact O-N 2.91Å; F440-V513 HydrophobicContact CB-CG1 3.73Å; F440-V513 HydrophobicContact CD1-CB 4.09Å; F440-V513 HydrophobicContact CD1-CG1 3.94Å; F440-V513 HydrophobicContact CG-CG1 4.24Å; F440-L515 HydrophobicContact CD1-CD2 3.79Å; F440-L515 HydrophobicContact CE1-CD2 3.69Å; F440-L515 HydrophobicContact CG-CD2 4.36Å; F440-L515 HydrophobicContact CZ-CD2 4.14Å |
| 441 | D | 90.7 | Very high | 89.1 | Confident | 34 Ų | 34 | 56.6 Ų | 56.6 | 18% | 0.182 | 29% | 0.294 | C | S | . | . | trans | -79.4 | 63.6 | 175.7 | -171.8 | 13.4 | 0 | 0 | 0 | 111.2 | E443 S444 D514 K516 | D441-E443 VanDerWaalsContact C-N 3.28Å; D441-S444 PolarHBondContact OD1-N 2.94Å; D441-S444 PolarHBondContact OD1-OG 3.11Å; D441-S444 VanDerWaalsContact OD2-CB 3.24Å; D441-S444 WeakPolarHBondContact OD2-CB 3.24Å; D441-S444 PolarHBondContact OD2-OG 3.41Å; D441-D514 PolarHBondContact N-O 3.24Å; D441-K516 HydrophobicContact CB-CG 4.06Å | ||
| 442 | T | 91.1 | Very high | 89.7 | Confident | 11 Ų | 11 | 57.4 Ų | 57.4 | 7% | 0.067 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -67.6 | -29.8 | 174.8 | 51.1 | 0 | 0 | 0 | 0 | 111.9 | D436 G437 F440 S444 I445 Y446 F508 V513 | D436-T442 WeakPolarHBondContact OD1-CB 3.41Å; D436-T442 VanDerWaalsContact OD1-CG2 3.32Å; D436-T442 WeakPolarHBondContact OD1-CG2 3.36Å; D436-T442 PolarHBondContact OD1-OG1 3.48Å; G437-T442 PolarHBondContact N-OG1 3.26Å; F440-T442 HydrophobicContact CB-CG2 4.11Å; F440-T442 PolarHBondContact O-N 2.91Å; T442-S444 VanDerWaalsContact C-N 3.34Å; T442-S444 PolarHBondContact O-N 3.34Å; T442-I445 PolarHBondContact O-N 3.41Å; T442-I445 VanDerWaalsContact O-N 3.13Å; T442-Y446 VanDerWaalsContact O-CD2 3.25Å; T442-Y446 WeakPolarHBondContact O-CD2 3.15Å; T442-Y446 PolarHBondContact O-N 2.99Å; T442-F508 HydrophobicContact CG2-CE1 3.88Å; T442-F508 HydrophobicContact CG2-CZ 4.11Å; T442-V513 HydrophobicContact CG2-CG1 4.42Å |
| 443 | E | 90 | Very high | 90.3 | Very high | 54 Ų | 54 | 49.5 Ų | 49.5 | 25% | 0.252 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60.1 | -42 | 179.2 | -68.7 | 174.5 | 160.6 | 0 | 0 | 111.9 | D441 I445 Y446 C447 Y466 I470 K516 | D441-E443 VanDerWaalsContact C-N 3.28Å; E443-I445 VanDerWaalsContact C-N 3.32Å; E443-I445 PolarHBondContact O-N 3.37Å; E443-Y446 PolarHBondContact O-N 3.45Å; E443-C447 WeakPolarHBondContact O-CB 3.39Å; E443-C447 PolarHBondContact O-N 2.66Å; E443-Y466 WeakPolarHBondContact CA-OH 3.38Å; E443-Y466 PolarHBondContact O-OH 3.44Å; E443-Y466 VanDerWaalsContact O-OH 3.08Å; E443-I470 WeakPolarHBondContact OE1-CG2 3.23Å; E443-K516 IonicContact OE1-NZ 3.69Å; E443-K516 IonicContact OE2-NZ 2.83Å; E443-K516 PolarHBondContact OE2-NZ 2.88Å |
| 444 | S | 90.7 | Very high | 90.9 | Very high | 62 Ų | 62 | 47.7 Ų | 47.7 | 43% | 0.434 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.7 | -39.7 | 175.2 | -74.3 | 0 | 0 | 0 | 0 | 112.3 | D441 T442 C447 E448 | D441-S444 PolarHBondContact OD1-N 2.94Å; D441-S444 PolarHBondContact OD1-OG 3.11Å; D441-S444 VanDerWaalsContact OD2-CB 3.24Å; D441-S444 WeakPolarHBondContact OD2-CB 3.24Å; D441-S444 PolarHBondContact OD2-OG 3.41Å; T442-S444 VanDerWaalsContact C-N 3.34Å; T442-S444 PolarHBondContact O-N 3.34Å; S444-C447 PolarHBondContact O-N 3.49Å; S444-E448 WeakPolarHBondContact O-CB 3.44Å; S444-E448 PolarHBondContact O-N 2.91Å |
| 445 | I | 92.5 | Very high | 91.6 | Very high | 16 Ų | 16 | 50.4 Ų | 50.4 | 8% | 0.082 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -68.3 | -46.5 | 179.3 | -68.1 | 171.3 | 0 | 0 | 0 | 111 | T442 E443 C447 E448 A449 A504 R507 F508 V513 | T442-I445 PolarHBondContact O-N 3.41Å; T442-I445 VanDerWaalsContact O-N 3.13Å; E443-I445 VanDerWaalsContact C-N 3.32Å; E443-I445 PolarHBondContact O-N 3.37Å; I445-C447 VanDerWaalsContact C-N 3.33Å; I445-C447 PolarHBondContact O-N 2.69Å; I445-E448 PolarHBondContact O-N 3.27Å; I445-A449 WeakPolarHBondContact O-CB 2.99Å; I445-A449 PolarHBondContact O-N 3.49Å; I445-A504 HydrophobicContact CG2-CB 4.05Å; I445-R507 HydrophobicContact CD1-CG 3.94Å; I445-R507 HydrophobicContact CG1-CG 4.17Å; I445-R507 HydrophobicContact CG2-CB 3.8Å; I445-R507 HydrophobicContact CG2-CG 3.8Å; I445-F508 HydrophobicContact CB-CE1 3.81Å; I445-F508 HydrophobicContact CB-CZ 4.33Å; I445-F508 HydrophobicContact CD1-CD1 3.85Å; I445-F508 HydrophobicContact CD1-CE1 3.6Å; I445-F508 HydrophobicContact CG1-CE1 4.29Å; I445-F508 HydrophobicContact CG2-CD1 4.24Å; I445-F508 HydrophobicContact CG2-CE1 3.61Å; I445-F508 HydrophobicContact CG2-CZ 4Å; I445-V513 HydrophobicContact CD1-CB 4.23Å; I445-V513 HydrophobicContact CD1-CG1 3.87Å; I445-V513 HydrophobicContact CD1-CG2 3.89Å |
| 446 | Y | 92.8 | Very high | 92.2 | Very high | 50 Ų | 50 | 51 Ų | 51 | 20% | 0.196 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62 | -42 | 175.2 | -77.8 | -62.3 | 0 | 0 | 0 | 111.5 | T442 E443 A449 N450 Y466 A504 F508 | T442-Y446 VanDerWaalsContact O-CD2 3.25Å; T442-Y446 WeakPolarHBondContact O-CD2 3.15Å; T442-Y446 PolarHBondContact O-N 2.99Å; E443-Y446 PolarHBondContact O-N 3.45Å; Y446-A449 PolarHBondContact O-N 2.74Å; Y446-N450 WeakPolarHBondContact O-CB 3.41Å; Y446-N450 PolarHBondContact O-N 3.19Å; Y446-N450 PolarHBondContact O-ND2 3.4Å; Y446-Y466 WeakPolarHBondContact CB-OH 3.39Å; Y446-A504 HydrophobicContact CD1-CB 3.44Å; Y446-A504 VanDerWaalsContact CD1-CB 3.44Å; Y446-A504 HydrophobicContact CE1-CB 3.61Å; Y446-A504 HydrophobicContact CG-CB 4.29Å; Y446-F508 HydrophobicContact CD2-CZ 4.07Å; Y446-F508 HydrophobicContact CE1-CE2 4.06Å; Y446-F508 HydrophobicContact CE1-CZ 4.27Å; Y446-F508 AromaticContact CE2-CE2 3.93Å; Y446-F508 HydrophobicContact CE2-CE2 3.93Å; Y446-F508 AromaticContact CE2-CZ 3.65Å; Y446-F508 HydrophobicContact CE2-CZ 3.65Å; Y446-F508 AromaticContact CZ-CE2 3.58Å; Y446-F508 AromaticContact CZ-CZ 3.77Å |
| 447 | C | 93.8 | Very high | 92.8 | Very high | 16 Ų | 16 | 50.2 Ų | 50.2 | 11% | 0.108 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.8 | -47.2 | 177.2 | -173.5 | 0 | 0 | 0 | 0 | 111.6 | E443 S444 I445 N450 L451 Y466 | E443-C447 WeakPolarHBondContact O-CB 3.39Å; E443-C447 PolarHBondContact O-N 2.66Å; S444-C447 PolarHBondContact O-N 3.49Å; I445-C447 VanDerWaalsContact C-N 3.33Å; I445-C447 PolarHBondContact O-N 2.69Å; C447-N450 PolarHBondContact O-N 2.76Å; C447-L451 VanDerWaalsContact O-CG 3.27Å; C447-L451 WeakPolarHBondContact O-CG 3.37Å; C447-L451 PolarHBondContact O-N 2.89Å; C447-Y466 HydrophobicContact CB-CD1 3.7Å; C447-Y466 HydrophobicContact CB-CD2 4.18Å; C447-Y466 HydrophobicContact CB-CE1 3.68Å; C447-Y466 HydrophobicContact CB-CE2 4.16Å; C447-Y466 HydrophobicContact CB-CG 3.96Å |
| 448 | E | 95 | Very high | 93.5 | Very high | 123 Ų | 123 | 51.9 Ų | 51.9 | 58% | 0.575 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -61.5 | -48.2 | 176.9 | -174.6 | 177.6 | -172.8 | 0 | 0 | 111.7 | S444 I445 N450 L451 V452 | S444-E448 WeakPolarHBondContact O-CB 3.44Å; S444-E448 PolarHBondContact O-N 2.91Å; I445-E448 PolarHBondContact O-N 3.27Å; E448-N450 VanDerWaalsContact C-N 3.32Å; E448-N450 PolarHBondContact O-N 2.91Å; E448-L451 PolarHBondContact O-N 3.46Å; E448-V452 HydrophobicContact CG-CG2 4.35Å; E448-V452 WeakPolarHBondContact O-CG2 3.35Å; E448-V452 PolarHBondContact O-N 3.2Å |
| 449 | A | 95.6 | Very high | 94 | Very high | 3 Ų | 3 | 48 Ų | 48 | 3% | 0.025 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.2 | -41.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | I445 Y446 V453 S500 M503 A504 | I445-A449 WeakPolarHBondContact O-CB 2.99Å; I445-A449 PolarHBondContact O-N 3.49Å; Y446-A449 PolarHBondContact O-N 2.74Å; A449-V453 WeakPolarHBondContact O-CB 3.27Å; A449-V453 WeakPolarHBondContact O-CG2 3.19Å; A449-V453 PolarHBondContact O-N 3.34Å; A449-V453 VanDerWaalsContact O-N 3.1Å; A449-S500 WeakPolarHBondContact CB-O 3.32Å; A449-S500 PolarHBondContact O-OG 3.05Å; A449-M503 HydrophobicContact CB-CB 4.07Å; A449-M503 HydrophobicContact CB-CG 3.99Å; A449-M503 HydrophobicContact CB-SD 3.99Å; A449-A504 HydrophobicContact CB-CB 4.08Å |
| 450 | N | 96 | Very high | 94.3 | Very high | 22 Ų | 22 | 50.9 Ų | 50.9 | 12% | 0.118 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.6 | -45.2 | 174.4 | -78.2 | -60.3 | 0 | 0 | 0 | 111.7 | Y446 C447 E448 A454 F461 F496 S500 | Y446-N450 WeakPolarHBondContact O-CB 3.41Å; Y446-N450 PolarHBondContact O-N 3.19Å; Y446-N450 PolarHBondContact O-ND2 3.4Å; C447-N450 PolarHBondContact O-N 2.76Å; E448-N450 VanDerWaalsContact C-N 3.32Å; E448-N450 PolarHBondContact O-N 2.91Å; N450-A454 WeakPolarHBondContact O-CB 3.33Å; N450-A454 PolarHBondContact O-N 3.44Å; N450-F461 HydrophobicContact CB-CD1 4.01Å; N450-F461 HydrophobicContact CB-CE1 3.46Å; N450-F461 VanDerWaalsContact CB-CE1 3.46Å; N450-F461 HydrophobicContact CB-CZ 3.86Å; N450-F496 HydrophobicContact CB-CE2 4.48Å; N450-F496 HydrophobicContact CB-CZ 4.23Å; N450-F496 WeakPolarHBondContact O-CE2 3.41Å; N450-F496 WeakPolarHBondContact OD1-CZ 3.45Å; N450-S500 WeakPolarHBondContact OD1-CB 3.5Å; N450-S500 PolarHBondContact OD1-OG 3.45Å |
| 451 | L | 97.1 | Very high | 94.5 | Very high | 49 Ų | 49 | 48.7 Ų | 48.7 | 26% | 0.257 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -63.1 | -46 | 180 | -70.8 | 166.8 | 0 | 0 | 0 | 112.3 | C447 E448 A454 E455 F461 K463 | C447-L451 VanDerWaalsContact O-CG 3.27Å; C447-L451 WeakPolarHBondContact O-CG 3.37Å; C447-L451 PolarHBondContact O-N 2.89Å; E448-L451 PolarHBondContact O-N 3.46Å; L451-A454 PolarHBondContact O-N 3.45Å; L451-E455 PolarHBondContact O-N 2.76Å; L451-F461 HydrophobicContact CD2-CD1 4.16Å; L451-K463 HydrophobicContact CD1-CD 4.49Å; L451-K463 HydrophobicContact CD1-CG 3.84Å |
| 452 | V | 97.1 | Very high | 94.6 | Very high | 67 Ų | 67 | 49.6 Ų | 49.6 | 41% | 0.406 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.2 | -45.7 | -179.2 | 171.6 | 0 | 0 | 0 | 0 | 111.3 | E448 K456 M503 | E448-V452 HydrophobicContact CG-CG2 4.35Å; E448-V452 WeakPolarHBondContact O-CG2 3.35Å; E448-V452 PolarHBondContact O-N 3.2Å; V452-K456 PolarHBondContact O-N 3.24Å; V452-M503 HydrophobicContact CB-SD 4.2Å; V452-M503 HydrophobicContact CG1-CE 3.91Å; V452-M503 HydrophobicContact CG1-SD 4.12Å |
| 453 | V | 97.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -76.2 | -33.9 | -177.5 | -179.6 | 0 | 0 | 0 | 0 | 111 | A449 E455 K456 Y457 F496 E499 S500 M503 | A449-V453 WeakPolarHBondContact O-CB 3.27Å; A449-V453 WeakPolarHBondContact O-CG2 3.19Å; A449-V453 PolarHBondContact O-N 3.34Å; A449-V453 VanDerWaalsContact O-N 3.1Å; V453-E455 VanDerWaalsContact C-N 3.35Å; V453-E455 PolarHBondContact O-N 3.5Å; V453-K456 WeakPolarHBondContact O-CB 3.38Å; V453-K456 PolarHBondContact O-N 3.46Å; V453-Y457 HydrophobicContact CG1-CD2 3.71Å; V453-Y457 HydrophobicContact CG1-CE2 3.61Å; V453-Y457 VanDerWaalsContact O-CD2 3.26Å; V453-Y457 WeakPolarHBondContact O-CD2 3.11Å; V453-Y457 PolarHBondContact O-N 3.48Å; V453-Y457 VanDerWaalsContact O-N 3.08Å; V453-F496 HydrophobicContact CB-CD2 4.2Å; V453-F496 HydrophobicContact CB-CE2 4.43Å; V453-F496 HydrophobicContact CG1-CD2 3.85Å; V453-E499 HydrophobicContact CG1-CB 3.8Å; V453-E499 HydrophobicContact CG1-CG 3.96Å; V453-E499 HydrophobicContact CG2-CB 4.49Å; V453-E499 HydrophobicContact CG2-CG 3.99Å; V453-S500 VanDerWaalsContact CB-OG 3.25Å; V453-S500 WeakPolarHBondContact CB-OG 3.49Å; V453-M503 HydrophobicContact CG2-CE 3.53Å; V453-M503 HydrophobicContact CG2-SD 4.06Å |
| 454 | A | 96.3 | Very high | 94.8 | Very high | 2 Ų | 2 | 59 Ų | 59 | 2% | 0.017 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.8 | -43.1 | 173 | 0 | 0 | 0 | 0 | 0 | 111.7 | N450 L451 K456 Y457 G458 L459 F461 F496 | N450-A454 WeakPolarHBondContact O-CB 3.33Å; N450-A454 PolarHBondContact O-N 3.44Å; L451-A454 PolarHBondContact O-N 3.45Å; A454-K456 VanDerWaalsContact C-N 3.3Å; A454-K456 PolarHBondContact O-N 2.89Å; A454-Y457 CarbonylContact O-C 3.53Å; A454-Y457 PolarHBondContact O-N 3.32Å; A454-G458 PolarHBondContact O-N 3.22Å; A454-L459 HydrophobicContact CB-CB 4.19Å; A454-L459 PolarHBondContact O-N 2.94Å; A454-F461 HydrophobicContact CB-CB 3.35Å; A454-F461 HydrophobicContact CB-CG 4.17Å; A454-F496 HydrophobicContact CB-CD2 4.19Å; A454-F496 HydrophobicContact CB-CE2 3.65Å; A454-F496 HydrophobicContact CB-CZ 4.34Å |
| 455 | E | 96.3 | Very high | 94.8 | Very high | 163 Ų | 163 | 57 Ų | 57 | 76% | 0.762 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -58.6 | -43.6 | 174.4 | -175.3 | 177.8 | -168.6 | 0 | 0 | 111.1 | L451 V453 Y457 G458 | L451-E455 PolarHBondContact O-N 2.76Å; V453-E455 VanDerWaalsContact C-N 3.35Å; V453-E455 PolarHBondContact O-N 3.5Å; E455-Y457 VanDerWaalsContact C-N 3.32Å; E455-Y457 PolarHBondContact O-N 3.04Å; E455-G458 PolarHBondContact O-N 2.81Å |
| 456 | K | 96.5 | Very high | 94.8 | Very high | 126 Ų | 126 | 57.7 Ų | 57.7 | 55% | 0.548 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -58.5 | -39.8 | 176.6 | -177.9 | -170 | 177.7 | -169.9 | 0 | 113 | V452 V453 A454 E499 | V452-K456 PolarHBondContact O-N 3.24Å; V453-K456 WeakPolarHBondContact O-CB 3.38Å; V453-K456 PolarHBondContact O-N 3.46Å; A454-K456 VanDerWaalsContact C-N 3.3Å; A454-K456 PolarHBondContact O-N 2.89Å; K456-E499 WeakPolarHBondContact CD-OE1 3.31Å; K456-E499 IonicContact NZ-OE1 2.6Å; K456-E499 PolarHBondContact NZ-OE1 3.45Å; K456-E499 IonicContact NZ-OE2 2.72Å; K456-E499 PolarHBondContact NZ-OE2 3.08Å |
| 457 | Y | 95.9 | Very high | 94.7 | Very high | 64 Ų | 64 | 58 Ų | 58 | 25% | 0.251 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -93.2 | 1.1 | 180 | -69.8 | -70.9 | 0 | 0 | 0 | 114 | V453 A454 E455 L459 T492 K495 F496 E499 | V453-Y457 HydrophobicContact CG1-CD2 3.71Å; V453-Y457 HydrophobicContact CG1-CE2 3.61Å; V453-Y457 VanDerWaalsContact O-CD2 3.26Å; V453-Y457 WeakPolarHBondContact O-CD2 3.11Å; V453-Y457 PolarHBondContact O-N 3.48Å; V453-Y457 VanDerWaalsContact O-N 3.08Å; A454-Y457 CarbonylContact O-C 3.53Å; A454-Y457 PolarHBondContact O-N 3.32Å; E455-Y457 VanDerWaalsContact C-N 3.32Å; E455-Y457 PolarHBondContact O-N 3.04Å; Y457-L459 VanDerWaalsContact C-N 3.28Å; Y457-L459 PolarHBondContact O-N 3.29Å; Y457-T492 HydrophobicContact CD1-CG2 4.11Å; Y457-T492 HydrophobicContact CG-CG2 4.39Å; Y457-K495 HydrophobicContact CE1-CB 4.07Å; Y457-K495 HydrophobicContact CE1-CD 4.34Å; Y457-K495 HydrophobicContact CE2-CB 4.35Å; Y457-F496 HydrophobicContact CD2-CB 4.12Å; Y457-E499 VanDerWaalsContact CE2-OE2 3.31Å; Y457-E499 WeakPolarHBondContact CE2-OE2 3.29Å; Y457-E499 PolarHBondContact OH-OE2 2.97Å |
| 458 | G | 94.2 | Very high | 94.5 | Very high | 54 Ų | 54 | 65.4 Ų | 65.4 | 56% | 0.557 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.7 | 26.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | A454 E455 | A454-G458 PolarHBondContact O-N 3.22Å; E455-G458 PolarHBondContact O-N 2.81Å |
| 459 | L | 95.4 | Very high | 94.2 | Very high | 10 Ų | 10 | 60.7 Ų | 60.7 | 5% | 0.052 | 31% | 0.311 | C | S | . | . | trans | -84 | 135.6 | 177.9 | -61.5 | 179.1 | 0 | 0 | 0 | 110.1 | A454 Y457 F461 F485 H488 F496 | A454-L459 HydrophobicContact CB-CB 4.19Å; A454-L459 PolarHBondContact O-N 2.94Å; Y457-L459 VanDerWaalsContact C-N 3.28Å; Y457-L459 PolarHBondContact O-N 3.29Å; L459-F461 PolarHBondContact O-N 3.26Å; L459-F485 HydrophobicContact CD1-CD2 4.21Å; L459-F485 HydrophobicContact CD2-CB 4.14Å; L459-F485 HydrophobicContact CD2-CG 4.2Å; L459-H488 HydrophobicContact CD2-CB 3.57Å; L459-H488 VanDerWaalsContact CD2-CG 3.47Å; L459-F496 HydrophobicContact CD1-CB 3.48Å; L459-F496 VanDerWaalsContact CD1-CB 3.48Å; L459-F496 HydrophobicContact CD1-CD1 3.7Å; L459-F496 HydrophobicContact CD1-CD2 3.87Å; L459-F496 HydrophobicContact CD1-CE1 4.42Å; L459-F496 HydrophobicContact CD1-CG 3.38Å | ||
| 460 | P | 94.1 | Very high | 93.7 | Very high | 80 Ų | 80 | 64.3 Ų | 64.3 | 52% | 0.519 | 33% | 0.33 | S | S | . | . | trans | -78.3 | 59.4 | 179.7 | 31.6 | -32.7 | 0 | 0 | 0 | 111.4 | I465 F485 | P460-I465 WeakPolarHBondContact O-CD1 3.4Å; P460-F485 HydrophobicContact CG-CD1 4.19Å; P460-F485 HydrophobicContact CG-CE1 3.8Å | ||
| 461 | F | 95.1 | Very high | 92.9 | Very high | 16 Ų | 16 | 67.4 Ų | 67.4 | 7% | 0.07 | 37% | 0.366 | C | S | . | . | trans | -88.2 | 136.8 | 176.6 | -164.2 | -91.8 | 0 | 0 | 0 | 110.6 | N450 L451 A454 L459 I465 Y466 F469 L481 F485 F496 | N450-F461 HydrophobicContact CB-CD1 4.01Å; N450-F461 HydrophobicContact CB-CE1 3.46Å; N450-F461 VanDerWaalsContact CB-CE1 3.46Å; N450-F461 HydrophobicContact CB-CZ 3.86Å; L451-F461 HydrophobicContact CD2-CD1 4.16Å; A454-F461 HydrophobicContact CB-CB 3.35Å; A454-F461 HydrophobicContact CB-CG 4.17Å; L459-F461 PolarHBondContact O-N 3.26Å; F461-I465 HydrophobicContact CD2-CB 4.48Å; F461-I465 HydrophobicContact CD2-CG2 3.84Å; F461-I465 HydrophobicContact CE2-CB 4.42Å; F461-I465 HydrophobicContact CE2-CG2 3.6Å; F461-I465 HydrophobicContact CZ-CG2 4.2Å; F461-Y466 HydrophobicContact CE1-CD2 4.33Å; F461-Y466 HydrophobicContact CZ-CD2 4.14Å; F461-F469 HydrophobicContact CE2-CD2 4.38Å; F461-F469 AromaticContact CE2-CE2 3.94Å; F461-F469 HydrophobicContact CE2-CE2 3.94Å; F461-F469 HydrophobicContact CZ-CD2 4.45Å; F461-F469 HydrophobicContact CZ-CE2 4.44Å; F461-L481 HydrophobicContact CD2-CD2 4.22Å; F461-L481 HydrophobicContact CE2-CD2 3.87Å; F461-F485 HydrophobicContact CB-CZ 4.21Å; F461-F485 AromaticContact CD2-CE2 3.91Å; F461-F485 HydrophobicContact CD2-CE2 3.91Å; F461-F485 AromaticContact CD2-CZ 3.93Å; F461-F485 HydrophobicContact CD2-CZ 3.93Å; F461-F496 HydrophobicContact CD2-CE1 4.39Å; F461-F496 AromaticContact CD2-CZ 3.96Å; F461-F496 HydrophobicContact CD2-CZ 3.96Å; F461-F496 HydrophobicContact CE2-CZ 4.21Å; F461-F496 HydrophobicContact CG-CZ 4.27Å | ||
| 462 | T | 93.8 | Very high | 92.2 | Very high | 53 Ų | 53 | 68.5 Ų | 68.5 | 33% | 0.325 | 37% | 0.372 | S | S | . | . | trans | -135.2 | 168.3 | -178.7 | 78.8 | 0 | 0 | 0 | 0 | 111.3 | E464 I465 Y466 | T462-E464 WeakPolarHBondContact CB-OE2 3.42Å; T462-E464 PolarHBondContact O-N 2.89Å; T462-E464 PolarHBondContact OG1-N 3.13Å; T462-E464 PolarHBondContact OG1-OE2 3.44Å; T462-I465 HydrophobicContact CG2-CD1 4.49Å; T462-I465 WeakPolarHBondContact O-CB 3.09Å; T462-I465 PolarHBondContact O-N 3.29Å; T462-I465 VanDerWaalsContact O-N 3.09Å; T462-I465 PolarHBondContact OG1-N 3.49Å; T462-Y466 PolarHBondContact O-N 2.87Å | ||
| 463 | K | 92.8 | Very high | 91.7 | Very high | 136 Ų | 136 | 68 Ų | 68 | 59% | 0.591 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -60.9 | -34.1 | 174.2 | -69.9 | -171.8 | 175.5 | -170.4 | 0 | 112.1 | L451 I465 Y466 A467 | L451-K463 HydrophobicContact CD1-CD 4.49Å; L451-K463 HydrophobicContact CD1-CG 3.84Å; K463-I465 VanDerWaalsContact C-N 3.3Å; K463-I465 PolarHBondContact O-N 2.87Å; K463-Y466 PolarHBondContact O-N 3.3Å; K463-A467 WeakPolarHBondContact O-CB 3.32Å; K463-A467 PolarHBondContact O-N 3.07Å |
| 464 | E | 91.7 | Very high | 91.3 | Very high | 126 Ų | 126 | 72 Ų | 72 | 59% | 0.589 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -69.4 | -28.3 | 176.1 | -57.9 | 73.5 | -159.6 | 0 | 0 | 112.4 | T462 R468 | T462-E464 WeakPolarHBondContact CB-OE2 3.42Å; T462-E464 PolarHBondContact O-N 2.89Å; T462-E464 PolarHBondContact OG1-N 3.13Å; T462-E464 PolarHBondContact OG1-OE2 3.44Å; E464-R468 WeakPolarHBondContact O-CG 3.41Å; E464-R468 PolarHBondContact O-NE 3.5Å |
| 465 | I | 92 | Very high | 91 | Very high | 21 Ų | 21 | 79.2 Ų | 79.2 | 11% | 0.108 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -72.5 | -48.7 | 170.8 | -68.2 | 170 | 0 | 0 | 0 | 109.3 | P460 F461 T462 K463 A467 R468 F469 M484 | P460-I465 WeakPolarHBondContact O-CD1 3.4Å; F461-I465 HydrophobicContact CD2-CB 4.48Å; F461-I465 HydrophobicContact CD2-CG2 3.84Å; F461-I465 HydrophobicContact CE2-CB 4.42Å; F461-I465 HydrophobicContact CE2-CG2 3.6Å; F461-I465 HydrophobicContact CZ-CG2 4.2Å; T462-I465 HydrophobicContact CG2-CD1 4.49Å; T462-I465 WeakPolarHBondContact O-CB 3.09Å; T462-I465 PolarHBondContact O-N 3.29Å; T462-I465 VanDerWaalsContact O-N 3.09Å; T462-I465 PolarHBondContact OG1-N 3.49Å; K463-I465 VanDerWaalsContact C-N 3.3Å; K463-I465 PolarHBondContact O-N 2.87Å; I465-A467 VanDerWaalsContact C-N 3.3Å; I465-A467 PolarHBondContact O-N 3.06Å; I465-R468 WeakPolarHBondContact O-CB 3.46Å; I465-R468 PolarHBondContact O-N 2.48Å; I465-F469 HydrophobicContact CG2-CD2 4.39Å; I465-F469 HydrophobicContact CG2-CE2 3.62Å; I465-F469 HydrophobicContact CG2-CZ 4.09Å; I465-M484 HydrophobicContact CD1-SD 3.98Å; I465-M484 HydrophobicContact CG1-SD 4.29Å; I465-M484 HydrophobicContact CG2-CE 4.11Å; I465-M484 HydrophobicContact CG2-SD 3.79Å |
| 466 | Y | 92.5 | Very high | 90.8 | Very high | 30 Ų | 30 | 76.6 Ų | 76.6 | 12% | 0.118 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -55.6 | -44.6 | 177.5 | -177.6 | -95.5 | 0 | 0 | 0 | 112.5 | E443 Y446 C447 F461 T462 K463 R468 F469 I470 | E443-Y466 WeakPolarHBondContact CA-OH 3.38Å; E443-Y466 PolarHBondContact O-OH 3.44Å; E443-Y466 VanDerWaalsContact O-OH 3.08Å; Y446-Y466 WeakPolarHBondContact CB-OH 3.39Å; C447-Y466 HydrophobicContact CB-CD1 3.7Å; C447-Y466 HydrophobicContact CB-CD2 4.18Å; C447-Y466 HydrophobicContact CB-CE1 3.68Å; C447-Y466 HydrophobicContact CB-CE2 4.16Å; C447-Y466 HydrophobicContact CB-CG 3.96Å; F461-Y466 HydrophobicContact CE1-CD2 4.33Å; F461-Y466 HydrophobicContact CZ-CD2 4.14Å; T462-Y466 PolarHBondContact O-N 2.87Å; K463-Y466 PolarHBondContact O-N 3.3Å; Y466-R468 PolarHBondContact O-N 2.94Å; Y466-R468 VanDerWaalsContact O-N 3.08Å; Y466-F469 WeakPolarHBondContact O-CB 3.36Å; Y466-F469 PolarHBondContact O-N 3.26Å; Y466-I470 HydrophobicContact CD1-CG1 4.45Å; Y466-I470 HydrophobicContact CE1-CD1 4.22Å; Y466-I470 HydrophobicContact CE1-CG1 4.05Å |
| 467 | A | 89.4 | Confident | 90.6 | Very high | 58 Ų | 58 | 71.7 Ų | 71.7 | 48% | 0.479 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -24.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | K463 I465 F469 | K463-A467 WeakPolarHBondContact O-CB 3.32Å; K463-A467 PolarHBondContact O-N 3.07Å; I465-A467 VanDerWaalsContact C-N 3.3Å; I465-A467 PolarHBondContact O-N 3.06Å; A467-F469 VanDerWaalsContact C-N 3.27Å |
| 468 | R | 89.8 | Confident | 90.5 | Very high | 170 Ų | 170 | 73.2 Ų | 73.2 | 64% | 0.642 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -15.7 | 175.3 | -63.2 | 169.1 | -171.3 | -172.5 | 0.7 | 113.2 | E464 I465 Y466 I472 | E464-R468 WeakPolarHBondContact O-CG 3.41Å; E464-R468 PolarHBondContact O-NE 3.5Å; I465-R468 WeakPolarHBondContact O-CB 3.46Å; I465-R468 PolarHBondContact O-N 2.48Å; Y466-R468 PolarHBondContact O-N 2.94Å; Y466-R468 VanDerWaalsContact O-N 3.08Å; R468-I472 WeakPolarHBondContact O-CD1 3.45Å |
| 469 | F | 89.2 | Confident | 90.5 | Very high | 24 Ų | 24 | 72.7 Ų | 72.7 | 11% | 0.105 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | -8.3 | -178.7 | -62.2 | -37.6 | 0 | 0 | 0 | 113.3 | F461 I465 Y466 A467 G471 I472 V477 E480 L481 M484 | F461-F469 HydrophobicContact CE2-CD2 4.38Å; F461-F469 AromaticContact CE2-CE2 3.94Å; F461-F469 HydrophobicContact CE2-CE2 3.94Å; F461-F469 HydrophobicContact CZ-CD2 4.45Å; F461-F469 HydrophobicContact CZ-CE2 4.44Å; I465-F469 HydrophobicContact CG2-CD2 4.39Å; I465-F469 HydrophobicContact CG2-CE2 3.62Å; I465-F469 HydrophobicContact CG2-CZ 4.09Å; Y466-F469 WeakPolarHBondContact O-CB 3.36Å; Y466-F469 PolarHBondContact O-N 3.26Å; A467-F469 VanDerWaalsContact C-N 3.27Å; F469-G471 PolarHBondContact O-N 2.81Å; F469-I472 PolarHBondContact O-N 2.89Å; F469-V477 HydrophobicContact CB-CG1 4.22Å; F469-V477 HydrophobicContact CB-CG2 3.76Å; F469-V477 HydrophobicContact CD1-CG1 4.27Å; F469-V477 HydrophobicContact CD1-CG2 4.07Å; F469-V477 HydrophobicContact CD2-CG1 3.97Å; F469-V477 HydrophobicContact CE2-CG1 4.38Å; F469-V477 HydrophobicContact CG-CG1 3.91Å; F469-V477 HydrophobicContact CG-CG2 4.02Å; F469-E480 HydrophobicContact CE1-CB 3.86Å; F469-E480 HydrophobicContact CZ-CB 4.3Å; F469-L481 HydrophobicContact CE2-CD2 3.72Å; F469-L481 HydrophobicContact CE2-CG 4.18Å; F469-L481 HydrophobicContact CZ-CD2 4.05Å; F469-L481 HydrophobicContact CZ-CG 4.28Å; F469-M484 HydrophobicContact CE1-CE 4.49Å; F469-M484 HydrophobicContact CZ-CE 3.82Å |
| 470 | I | 84.4 | Confident | 90.4 | Very high | 80 Ų | 80 | 75.9 Ų | 75.9 | 41% | 0.41 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | 128.4 | 175.5 | -61.6 | 176.3 | 0 | 0 | 0 | 109.2 | E443 Y466 I472 | E443-I470 WeakPolarHBondContact OE1-CG2 3.23Å; Y466-I470 HydrophobicContact CD1-CG1 4.45Å; Y466-I470 HydrophobicContact CE1-CD1 4.22Å; Y466-I470 HydrophobicContact CE1-CG1 4.05Å; I470-I472 VanDerWaalsContact C-N 3.31Å; I470-I472 PolarHBondContact O-N 2.89Å |
| 471 | G | 79.4 | Confident | 90.5 | Very high | 86 Ų | 86 | 72.3 Ų | 72.3 | 89% | 0.887 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.3 | 5.9 | -180 | 0 | 0 | 0 | 0 | 0 | 115.4 | F469 | F469-G471 PolarHBondContact O-N 2.81Š|
| 472 | I | 83.9 | Confident | 90.5 | Very high | 72 Ų | 72 | 73.9 Ų | 73.9 | 37% | 0.369 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -100.3 | 147.7 | 175.9 | -58 | -172.6 | 0 | 0 | 0 | 109.2 | R468 F469 I470 E476 V477 | R468-I472 WeakPolarHBondContact O-CD1 3.45Å; F469-I472 PolarHBondContact O-N 2.89Å; I470-I472 VanDerWaalsContact C-N 3.31Å; I470-I472 PolarHBondContact O-N 2.89Å; I472-E476 HydrophobicContact CG2-CB 3.42Å; I472-E476 VanDerWaalsContact CG2-CB 3.42Å; I472-E476 HydrophobicContact CG2-CG 4.36Å; I472-E476 WeakPolarHBondContact CG2-OE2 3.21Å; I472-V477 HydrophobicContact CB-CG2 4.04Å; I472-V477 HydrophobicContact CG2-CG2 3.97Å |
| 473 | S | 86.6 | Confident | 90.5 | Very high | 56 Ų | 56 | 77.7 Ų | 77.7 | 39% | 0.392 | 40% | 0.401 | S | S | . | . | trans | -66.6 | 150.4 | 179.1 | 67.1 | 0 | 0 | 0 | 0 | 112.5 | E475 E476 V477 | S473-E475 PolarHBondContact O-N 3.49Å; S473-E476 PolarHBondContact N-OE2 3.2Å; S473-E476 PolarHBondContact O-N 3.08Å; S473-E476 WeakPolarHBondContact OG-CB 3.49Å; S473-E476 VanDerWaalsContact OG-CD 3.26Å; S473-E476 VanDerWaalsContact OG-CG 3.24Å; S473-E476 WeakPolarHBondContact OG-CG 3.45Å; S473-E476 PolarHBondContact OG-N 2.8Å; S473-E476 PolarHBondContact OG-OE2 3.24Å; S473-V477 WeakPolarHBondContact O-CG2 3.43Å; S473-V477 PolarHBondContact O-N 3.17Å | ||
| 474 | D | 87.7 | Confident | 90.6 | Very high | 84 Ų | 84 | 74.9 Ų | 74.9 | 45% | 0.449 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -55.3 | -40.6 | 179.3 | -61.6 | -45.7 | 0 | 0 | 0 | 112.6 | E476 V477 W478 W501 | D474-E476 VanDerWaalsContact C-N 3.34Å; D474-E476 PolarHBondContact O-N 3.08Å; D474-V477 PolarHBondContact O-N 3.06Å; D474-W478 HydrophobicContact CB-CZ2 4.2Å; D474-W478 WeakPolarHBondContact O-CB 3.46Å; D474-W478 VanDerWaalsContact O-CD1 3.24Å; D474-W478 PolarHBondContact O-N 2.88Å; D474-W501 HydrophobicContact CB-CH2 4.19Å; D474-W501 HydrophobicContact CB-CZ3 4.02Å; D474-W501 VanDerWaalsContact CG-CH2 3.45Å; D474-W501 WeakPolarHBondContact OD1-CZ3 3.41Å; D474-W501 WeakPolarHBondContact OD2-CH2 3.32Å |
| 475 | E | 90.7 | Very high | 90.8 | Very high | 155 Ų | 155 | 69 Ų | 69 | 72% | 0.724 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -61.5 | -41.2 | 178.5 | -65.6 | -175.3 | 177.9 | 0 | 0 | 112.1 | S473 A479 | S473-E475 PolarHBondContact O-N 3.49Å; E475-A479 WeakPolarHBondContact O-CB 3.16Å; E475-A479 PolarHBondContact O-N 2.87Å |
| 476 | E | 92.6 | Very high | 90.8 | Very high | 108 Ų | 108 | 70.9 Ų | 70.9 | 51% | 0.505 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -70.4 | -41.7 | 176.7 | -74.4 | 169.8 | 140.9 | 0 | 0 | 111.5 | I472 S473 D474 W478 A479 E480 | I472-E476 HydrophobicContact CG2-CB 3.42Å; I472-E476 VanDerWaalsContact CG2-CB 3.42Å; I472-E476 HydrophobicContact CG2-CG 4.36Å; I472-E476 WeakPolarHBondContact CG2-OE2 3.21Å; S473-E476 PolarHBondContact N-OE2 3.2Å; S473-E476 PolarHBondContact O-N 3.08Å; S473-E476 WeakPolarHBondContact OG-CB 3.49Å; S473-E476 VanDerWaalsContact OG-CD 3.26Å; S473-E476 VanDerWaalsContact OG-CG 3.24Å; S473-E476 WeakPolarHBondContact OG-CG 3.45Å; S473-E476 PolarHBondContact OG-N 2.8Å; S473-E476 PolarHBondContact OG-OE2 3.24Å; D474-E476 VanDerWaalsContact C-N 3.34Å; D474-E476 PolarHBondContact O-N 3.08Å; E476-W478 PolarHBondContact O-N 2.98Å; E476-A479 PolarHBondContact O-N 3.32Å; E476-E480 WeakPolarHBondContact O-CB 3.35Å; E476-E480 WeakPolarHBondContact O-CG 3.28Å; E476-E480 PolarHBondContact O-N 3.31Å |
| 477 | V | 91.4 | Very high | 90.9 | Very high | 22 Ų | 22 | 77.3 Ų | 77.3 | 13% | 0.133 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -59.3 | -47.7 | 175 | 174.2 | 0 | 0 | 0 | 0 | 110.2 | F469 I472 S473 D474 A479 E480 L481 | F469-V477 HydrophobicContact CB-CG1 4.22Å; F469-V477 HydrophobicContact CB-CG2 3.76Å; F469-V477 HydrophobicContact CD1-CG1 4.27Å; F469-V477 HydrophobicContact CD1-CG2 4.07Å; F469-V477 HydrophobicContact CD2-CG1 3.97Å; F469-V477 HydrophobicContact CE2-CG1 4.38Å; F469-V477 HydrophobicContact CG-CG1 3.91Å; F469-V477 HydrophobicContact CG-CG2 4.02Å; I472-V477 HydrophobicContact CB-CG2 4.04Å; I472-V477 HydrophobicContact CG2-CG2 3.97Å; S473-V477 WeakPolarHBondContact O-CG2 3.43Å; S473-V477 PolarHBondContact O-N 3.17Å; D474-V477 PolarHBondContact O-N 3.06Å; V477-A479 VanDerWaalsContact C-N 3.35Å; V477-A479 PolarHBondContact O-N 3.49Å; V477-E480 PolarHBondContact O-N 3.25Å; V477-L481 HydrophobicContact CG1-CD1 3.91Å; V477-L481 HydrophobicContact CG1-CG 4.31Å; V477-L481 WeakPolarHBondContact O-CB 3.43Å; V477-L481 VanDerWaalsContact O-CG 3.23Å; V477-L481 WeakPolarHBondContact O-CG 3.36Å; V477-L481 PolarHBondContact O-N 3.34Å |
| 478 | W | 93.3 | Very high | 91.1 | Very high | 96 Ų | 96 | 78 Ų | 78 | 36% | 0.364 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -62.1 | -41.9 | 178.1 | -62.1 | -9.3 | 0 | 0 | 0 | 112.1 | D474 E476 L481 H482 I497 W501 | D474-W478 HydrophobicContact CB-CZ2 4.2Å; D474-W478 WeakPolarHBondContact O-CB 3.46Å; D474-W478 VanDerWaalsContact O-CD1 3.24Å; D474-W478 PolarHBondContact O-N 2.88Å; E476-W478 PolarHBondContact O-N 2.98Å; W478-L481 PolarHBondContact O-N 3.34Å; W478-H482 PolarHBondContact O-CD2 3.42Å; W478-H482 VanDerWaalsContact O-CD2 3.25Å; W478-H482 PolarHBondContact O-N 3.09Å; W478-I497 HydrophobicContact CB-CD1 4.12Å; W478-I497 HydrophobicContact CD2-CG2 4.19Å; W478-I497 HydrophobicContact CG-CD1 4.28Å; W478-I497 HydrophobicContact CG-CG2 3.99Å; W478-W501 HydrophobicContact CZ2-CD2 4.45Å; W478-W501 AromaticContact CZ2-CE3 3.72Å; W478-W501 HydrophobicContact CZ2-CE3 3.72Å; W478-W501 HydrophobicContact CZ2-CH2 4.17Å; W478-W501 AromaticContact CZ2-CZ3 3.56Å; W478-W501 HydrophobicContact CZ2-CZ3 3.56Å; W478-W501 AromaticContact NE1-CE3 3.95Å; W478-W501 AromaticContact NE1-CZ3 3.94Å |
| 479 | A | 94.1 | Very high | 91.3 | Very high | 44 Ų | 44 | 71.4 Ų | 71.4 | 36% | 0.364 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63.6 | -41 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | E475 E476 V477 H482 K483 | E475-A479 WeakPolarHBondContact O-CB 3.16Å; E475-A479 PolarHBondContact O-N 2.87Å; E476-A479 PolarHBondContact O-N 3.32Å; V477-A479 VanDerWaalsContact C-N 3.35Å; V477-A479 PolarHBondContact O-N 3.49Å; A479-H482 PolarHBondContact O-N 3.47Å; A479-K483 WeakPolarHBondContact O-CG 3.47Å; A479-K483 PolarHBondContact O-N 2.69Å; A479-K483 VanDerWaalsContact O-N 3.13Å |
| 480 | E | 94.6 | Very high | 91.5 | Very high | 77 Ų | 77 | 77.6 Ų | 77.6 | 36% | 0.36 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -69.9 | -37.5 | 176.9 | -74.2 | -54.3 | 128.1 | 0 | 0 | 112.5 | F469 E476 V477 H482 K483 M484 | F469-E480 HydrophobicContact CE1-CB 3.86Å; F469-E480 HydrophobicContact CZ-CB 4.3Å; E476-E480 WeakPolarHBondContact O-CB 3.35Å; E476-E480 WeakPolarHBondContact O-CG 3.28Å; E476-E480 PolarHBondContact O-N 3.31Å; V477-E480 PolarHBondContact O-N 3.25Å; E480-H482 PolarHBondContact O-N 3.05Å; E480-K483 PolarHBondContact O-N 3.42Å; E480-K483 IonicContact OE1-NZ 3.11Å; E480-K483 PolarHBondContact OE1-NZ 3.48Å; E480-M484 WeakPolarHBondContact O-CB 3.39Å; E480-M484 PolarHBondContact O-N 2.97Å |
| 481 | L | 94.9 | Very high | 92.1 | Very high | 5 Ų | 5 | 80 Ų | 80 | 3% | 0.026 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -60.4 | -44.7 | 173.2 | -73.5 | 172.7 | 0 | 0 | 0 | 111.8 | F461 F469 V477 W478 K483 M484 F485 V493 F496 I497 | F461-L481 HydrophobicContact CD2-CD2 4.22Å; F461-L481 HydrophobicContact CE2-CD2 3.87Å; F469-L481 HydrophobicContact CE2-CD2 3.72Å; F469-L481 HydrophobicContact CE2-CG 4.18Å; F469-L481 HydrophobicContact CZ-CD2 4.05Å; F469-L481 HydrophobicContact CZ-CG 4.28Å; V477-L481 HydrophobicContact CG1-CD1 3.91Å; V477-L481 HydrophobicContact CG1-CG 4.31Å; V477-L481 WeakPolarHBondContact O-CB 3.43Å; V477-L481 VanDerWaalsContact O-CG 3.23Å; V477-L481 WeakPolarHBondContact O-CG 3.36Å; V477-L481 PolarHBondContact O-N 3.34Å; W478-L481 PolarHBondContact O-N 3.34Å; L481-K483 VanDerWaalsContact C-N 3.32Å; L481-K483 PolarHBondContact O-N 3.5Å; L481-M484 PolarHBondContact O-N 3.33Å; L481-F485 HydrophobicContact CD2-CD2 4.14Å; L481-F485 HydrophobicContact CD2-CE2 3.68Å; L481-F485 PolarHBondContact O-N 3.13Å; L481-V493 HydrophobicContact CB-CG1 4.29Å; L481-F496 HydrophobicContact CD1-CE1 3.96Å; L481-F496 HydrophobicContact CD2-CE1 3.9Å; L481-I497 HydrophobicContact CB-CD1 4.22Å; L481-I497 HydrophobicContact CD1-CD1 4.2Å; L481-I497 HydrophobicContact CD1-CG1 3.79Å |
| 482 | H | 95.8 | Very high | 92.8 | Very high | 49 Ų | 49 | 78.1 Ų | 78.1 | 23% | 0.227 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -61.6 | -37.3 | 175.3 | -86 | -62.3 | 0 | 0 | 0 | 112.8 | W478 A479 E480 A486 Q494 | W478-H482 PolarHBondContact O-CD2 3.42Å; W478-H482 VanDerWaalsContact O-CD2 3.25Å; W478-H482 PolarHBondContact O-N 3.09Å; A479-H482 PolarHBondContact O-N 3.47Å; E480-H482 PolarHBondContact O-N 3.05Å; H482-A486 WeakPolarHBondContact O-CA 3.15Å; H482-A486 WeakPolarHBondContact O-CB 3.25Å; H482-A486 PolarHBondContact O-N 3.43Å; H482-Q494 PolarHBondContact NE2-OE1 3.49Å |
| 483 | K | 94.7 | Very high | 93.4 | Very high | 133 Ų | 133 | 74.7 Ų | 74.7 | 58% | 0.578 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -70.6 | -46.5 | 174 | -69.1 | 171.7 | -164.5 | 166 | 0 | 112.1 | A479 E480 L481 F485 A486 | A479-K483 WeakPolarHBondContact O-CG 3.47Å; A479-K483 PolarHBondContact O-N 2.69Å; A479-K483 VanDerWaalsContact O-N 3.13Å; E480-K483 PolarHBondContact O-N 3.42Å; E480-K483 IonicContact OE1-NZ 3.11Å; E480-K483 PolarHBondContact OE1-NZ 3.48Å; L481-K483 VanDerWaalsContact C-N 3.32Å; L481-K483 PolarHBondContact O-N 3.5Å; K483-F485 PolarHBondContact O-N 3.25Å; K483-A486 PolarHBondContact O-N 2.97Å |
| 484 | M | 93.7 | Very high | 93.9 | Very high | 76 Ų | 76 | 75.3 Ų | 75.3 | 37% | 0.374 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -67.1 | -37.1 | -173.1 | -170.4 | 178.1 | -52.1 | 0 | 0 | 112.2 | I465 F469 E480 L481 | I465-M484 HydrophobicContact CD1-SD 3.98Å; I465-M484 HydrophobicContact CG1-SD 4.29Å; I465-M484 HydrophobicContact CG2-CE 4.11Å; I465-M484 HydrophobicContact CG2-SD 3.79Å; F469-M484 HydrophobicContact CE1-CE 4.49Å; F469-M484 HydrophobicContact CZ-CE 3.82Å; E480-M484 WeakPolarHBondContact O-CB 3.39Å; E480-M484 PolarHBondContact O-N 2.97Å; L481-M484 PolarHBondContact O-N 3.33Å |
| 485 | F | 95.5 | Very high | 94.4 | Very high | 4 Ų | 4 | 75.6 Ų | 75.6 | 2% | 0.018 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | 22.6 | -178.5 | -56.3 | -48.1 | 0 | 0 | 0 | 113.2 | L459 P460 F461 L481 K483 D487 H488 V493 | L459-F485 HydrophobicContact CD1-CD2 4.21Å; L459-F485 HydrophobicContact CD2-CB 4.14Å; L459-F485 HydrophobicContact CD2-CG 4.2Å; P460-F485 HydrophobicContact CG-CD1 4.19Å; P460-F485 HydrophobicContact CG-CE1 3.8Å; F461-F485 HydrophobicContact CB-CZ 4.21Å; F461-F485 AromaticContact CD2-CE2 3.91Å; F461-F485 HydrophobicContact CD2-CE2 3.91Å; F461-F485 AromaticContact CD2-CZ 3.93Å; F461-F485 HydrophobicContact CD2-CZ 3.93Å; L481-F485 HydrophobicContact CD2-CD2 4.14Å; L481-F485 HydrophobicContact CD2-CE2 3.68Å; L481-F485 PolarHBondContact O-N 3.13Å; K483-F485 PolarHBondContact O-N 3.25Å; F485-D487 PolarHBondContact O-N 3.48Å; F485-H488 WeakPolarHBondContact O-CB 3.48Å; F485-H488 PolarHBondContact O-N 3.45Å; F485-H488 PolarHBondContact O-ND1 2.92Å; F485-V493 HydrophobicContact CB-CG2 3.62Å; F485-V493 WeakPolarHBondContact O-CG2 3.18Å |
| 486 | A | 93.1 | Very high | 94.7 | Very high | 60 Ų | 60 | 68.2 Ų | 68.2 | 50% | 0.496 | 35% | 0.348 | S | S | . | . | G | 310 helix | trans | -50.4 | -36.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | H482 K483 H488 G489 | H482-A486 WeakPolarHBondContact O-CA 3.15Å; H482-A486 WeakPolarHBondContact O-CB 3.25Å; H482-A486 PolarHBondContact O-N 3.43Å; K483-A486 PolarHBondContact O-N 2.97Å; A486-H488 PolarHBondContact O-N 2.8Å; A486-G489 PolarHBondContact O-N 3.44Å |
| 487 | D | 94.5 | Very high | 94.8 | Very high | 164 Ų | 164 | 63.3 Ų | 63.3 | 88% | 0.877 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | -67.8 | -10.4 | 178.7 | -68.1 | -28 | 0 | 0 | 0 | 114.5 | F485 | F485-D487 PolarHBondContact O-N 3.48Š|
| 488 | H | 94.1 | Very high | 95 | Very high | 73 Ų | 73 | 66.8 Ų | 66.8 | 34% | 0.338 | 34% | 0.343 | S | S | . | . | G | 310 helix | trans | -97.5 | -2.6 | 178.9 | -58.8 | 74 | 0 | 0 | 0 | 112.8 | L459 F485 A486 T492 | L459-H488 HydrophobicContact CD2-CB 3.57Å; L459-H488 VanDerWaalsContact CD2-CG 3.47Å; F485-H488 WeakPolarHBondContact O-CB 3.48Å; F485-H488 PolarHBondContact O-N 3.45Å; F485-H488 PolarHBondContact O-ND1 2.92Å; A486-H488 PolarHBondContact O-N 2.8Å; H488-T492 VanDerWaalsContact O-CB 3.25Å; H488-T492 WeakPolarHBondContact O-CB 3.42Å; H488-T492 PolarHBondContact O-OG1 2.9Å |
| 489 | G | 93.3 | Very high | 95.2 | Very high | 32 Ų | 32 | 65 Ų | 65 | 33% | 0.33 | 34% | 0.339 | S | S | . | . | trans | 86.7 | 134.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | A486 E491 T492 V493 | A486-G489 PolarHBondContact O-N 3.44Å; G489-E491 VanDerWaalsContact C-N 3.3Å; G489-E491 PolarHBondContact O-N 3.35Å; G489-T492 WeakPolarHBondContact O-CB 3.39Å; G489-T492 PolarHBondContact O-N 3.48Å; G489-V493 PolarHBondContact O-N 3.45Å; G489-V493 VanDerWaalsContact O-N 3.13Å | ||
| 490 | E | 94.4 | Very high | 95.3 | Very high | 154 Ų | 154 | 63 Ų | 63 | 72% | 0.72 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -52.1 | -42.8 | -176.9 | -174 | -179.6 | 177 | 0 | 0 | 113.3 | T492 V493 Q494 | E490-T492 VanDerWaalsContact C-N 3.34Å; E490-T492 PolarHBondContact O-N 2.95Å; E490-V493 PolarHBondContact O-N 2.63Å; E490-Q494 WeakPolarHBondContact O-CB 3.23Å; E490-Q494 PolarHBondContact O-N 3.13Å |
| 491 | E | 95.2 | Very high | 95.3 | Very high | 131 Ų | 131 | 63.5 Ų | 63.5 | 61% | 0.612 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -64.1 | -37.9 | 179.1 | -169.7 | -171.9 | 162.4 | 0 | 0 | 112.3 | G489 K495 | G489-E491 VanDerWaalsContact C-N 3.3Å; G489-E491 PolarHBondContact O-N 3.35Å; E491-K495 WeakPolarHBondContact O-CB 3.45Å; E491-K495 WeakPolarHBondContact O-CG 3.24Å; E491-K495 PolarHBondContact O-N 2.97Å; E491-K495 VanDerWaalsContact OE1-CE 3.28Å; E491-K495 WeakPolarHBondContact OE1-CE 3.33Å; E491-K495 IonicContact OE1-NZ 3.82Å; E491-K495 PolarHBondContact OE1-NZ 3.23Å |
| 492 | T | 95.9 | Very high | 95.3 | Very high | 45 Ų | 45 | 64.7 Ų | 64.7 | 28% | 0.276 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -66.9 | -44.9 | 177.6 | -51 | 0 | 0 | 0 | 0 | 110.3 | Y457 H488 G489 E490 K495 F496 | Y457-T492 HydrophobicContact CD1-CG2 4.11Å; Y457-T492 HydrophobicContact CG-CG2 4.39Å; H488-T492 VanDerWaalsContact O-CB 3.25Å; H488-T492 WeakPolarHBondContact O-CB 3.42Å; H488-T492 PolarHBondContact O-OG1 2.9Å; G489-T492 WeakPolarHBondContact O-CB 3.39Å; G489-T492 PolarHBondContact O-N 3.48Å; E490-T492 VanDerWaalsContact C-N 3.34Å; E490-T492 PolarHBondContact O-N 2.95Å; T492-K495 PolarHBondContact O-N 3.3Å; T492-F496 PolarHBondContact O-N 2.89Å |
| 493 | V | 95.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -66.2 | -40.6 | 179.7 | -176.7 | 0 | 0 | 0 | 0 | 111 | L481 F485 G489 E490 K495 F496 I497 | L481-V493 HydrophobicContact CB-CG1 4.29Å; F485-V493 HydrophobicContact CB-CG2 3.62Å; F485-V493 WeakPolarHBondContact O-CG2 3.18Å; G489-V493 PolarHBondContact O-N 3.45Å; G489-V493 VanDerWaalsContact O-N 3.13Å; E490-V493 PolarHBondContact O-N 2.63Å; V493-K495 PolarHBondContact O-N 2.84Å; V493-F496 WeakPolarHBondContact O-CB 3.21Å; V493-F496 PolarHBondContact O-N 3.3Å; V493-I497 HydrophobicContact CG1-CD1 4.14Å; V493-I497 WeakPolarHBondContact O-CG1 3.39Å; V493-I497 PolarHBondContact O-N 3.49Å |
| 494 | Q | 96.9 | Very high | 95.3 | Very high | 69 Ų | 69 | 59.3 Ų | 59.3 | 32% | 0.322 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.3 | -41.8 | 176.1 | -168.1 | 60.4 | 49 | 0 | 0 | 111.9 | H482 E490 F496 I497 D498 | H482-Q494 PolarHBondContact NE2-OE1 3.49Å; E490-Q494 WeakPolarHBondContact O-CB 3.23Å; E490-Q494 PolarHBondContact O-N 3.13Å; Q494-F496 VanDerWaalsContact C-N 3.31Å; Q494-F496 PolarHBondContact O-N 3.09Å; Q494-I497 PolarHBondContact O-N 3.25Å; Q494-D498 PolarHBondContact NE2-OD1 3.48Å; Q494-D498 VanDerWaalsContact O-CG 3.23Å; Q494-D498 PolarHBondContact O-N 3.26Å |
| 495 | K | 97.1 | Very high | 95.2 | Very high | 90 Ų | 90 | 60 Ų | 60 | 39% | 0.391 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.3 | -38.3 | 174.5 | -76.9 | 174 | -174.3 | 164.8 | 0 | 112.6 | Y457 E491 T492 V493 E499 | Y457-K495 HydrophobicContact CE1-CB 4.07Å; Y457-K495 HydrophobicContact CE1-CD 4.34Å; Y457-K495 HydrophobicContact CE2-CB 4.35Å; E491-K495 WeakPolarHBondContact O-CB 3.45Å; E491-K495 WeakPolarHBondContact O-CG 3.24Å; E491-K495 PolarHBondContact O-N 2.97Å; E491-K495 VanDerWaalsContact OE1-CE 3.28Å; E491-K495 WeakPolarHBondContact OE1-CE 3.33Å; E491-K495 IonicContact OE1-NZ 3.82Å; E491-K495 PolarHBondContact OE1-NZ 3.23Å; T492-K495 PolarHBondContact O-N 3.3Å; V493-K495 PolarHBondContact O-N 2.84Å; K495-E499 WeakPolarHBondContact O-CB 3.37Å; K495-E499 PolarHBondContact O-N 3.44Å |
| 496 | F | 97.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -58.9 | -52.1 | 172.9 | 161.8 | -108.4 | 0 | 0 | 0 | 110.8 | N450 V453 A454 Y457 L459 F461 L481 T492 V493 Q494 D498 E499 S500 | N450-F496 HydrophobicContact CB-CE2 4.48Å; N450-F496 HydrophobicContact CB-CZ 4.23Å; N450-F496 WeakPolarHBondContact O-CE2 3.41Å; N450-F496 WeakPolarHBondContact OD1-CZ 3.45Å; V453-F496 HydrophobicContact CB-CD2 4.2Å; V453-F496 HydrophobicContact CB-CE2 4.43Å; V453-F496 HydrophobicContact CG1-CD2 3.85Å; A454-F496 HydrophobicContact CB-CD2 4.19Å; A454-F496 HydrophobicContact CB-CE2 3.65Å; A454-F496 HydrophobicContact CB-CZ 4.34Å; Y457-F496 HydrophobicContact CD2-CB 4.12Å; L459-F496 HydrophobicContact CD1-CB 3.48Å; L459-F496 VanDerWaalsContact CD1-CB 3.48Å; L459-F496 HydrophobicContact CD1-CD1 3.7Å; L459-F496 HydrophobicContact CD1-CD2 3.87Å; L459-F496 HydrophobicContact CD1-CE1 4.42Å; L459-F496 HydrophobicContact CD1-CG 3.38Å; F461-F496 HydrophobicContact CD2-CE1 4.39Å; F461-F496 AromaticContact CD2-CZ 3.96Å; F461-F496 HydrophobicContact CD2-CZ 3.96Å; F461-F496 HydrophobicContact CE2-CZ 4.21Å; F461-F496 HydrophobicContact CG-CZ 4.27Å; L481-F496 HydrophobicContact CD1-CE1 3.96Å; L481-F496 HydrophobicContact CD2-CE1 3.9Å; T492-F496 PolarHBondContact O-N 2.89Å; V493-F496 WeakPolarHBondContact O-CB 3.21Å; V493-F496 PolarHBondContact O-N 3.3Å; Q494-F496 VanDerWaalsContact C-N 3.31Å; Q494-F496 PolarHBondContact O-N 3.09Å; F496-D498 PolarHBondContact O-N 3.5Å; F496-E499 PolarHBondContact O-N 3.42Å; F496-S500 WeakPolarHBondContact CE2-OG 3.39Å; F496-S500 VanDerWaalsContact O-CB 3.29Å; F496-S500 WeakPolarHBondContact O-CB 3.33Å; F496-S500 PolarHBondContact O-N 3.33Å; F496-S500 PolarHBondContact O-OG 2.92Å; F496-S500 VanDerWaalsContact O-OG 3.08Å |
| 497 | I | 95.5 | Very high | 95.1 | Very high | 6 Ų | 6 | 66 Ų | 66 | 3% | 0.031 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -56.9 | -53.4 | 178.7 | -68 | 165.3 | 0 | 0 | 0 | 111.1 | W478 L481 V493 Q494 E499 S500 W501 | W478-I497 HydrophobicContact CB-CD1 4.12Å; W478-I497 HydrophobicContact CD2-CG2 4.19Å; W478-I497 HydrophobicContact CG-CD1 4.28Å; W478-I497 HydrophobicContact CG-CG2 3.99Å; L481-I497 HydrophobicContact CB-CD1 4.22Å; L481-I497 HydrophobicContact CD1-CD1 4.2Å; L481-I497 HydrophobicContact CD1-CG1 3.79Å; V493-I497 HydrophobicContact CG1-CD1 4.14Å; V493-I497 WeakPolarHBondContact O-CG1 3.39Å; V493-I497 PolarHBondContact O-N 3.49Å; Q494-I497 PolarHBondContact O-N 3.25Å; I497-E499 PolarHBondContact O-N 3Å; I497-S500 PolarHBondContact O-N 3.43Å; I497-W501 VanDerWaalsContact O-CB 3.31Å; I497-W501 WeakPolarHBondContact O-CB 3.49Å; I497-W501 PolarHBondContact O-N 3.42Å |
| 498 | D | 96.6 | Very high | 94.9 | Very high | 95 Ų | 95 | 60.3 Ų | 60.3 | 51% | 0.508 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.3 | -40.8 | -175.1 | -64.9 | -14.7 | 0 | 0 | 0 | 112 | Q494 F496 G502 | Q494-D498 PolarHBondContact NE2-OD1 3.48Å; Q494-D498 VanDerWaalsContact O-CG 3.23Å; Q494-D498 PolarHBondContact O-N 3.26Å; F496-D498 PolarHBondContact O-N 3.5Å; D498-G502 PolarHBondContact O-N 2.98Å |
| 499 | E | 97.6 | Very high | 94.8 | Very high | 57 Ų | 57 | 63.1 Ų | 63.1 | 27% | 0.266 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -76.7 | -38.3 | -178.1 | -173.8 | 174.3 | 169.3 | 0 | 0 | 112.4 | V453 K456 Y457 K495 F496 I497 W501 G502 M503 | V453-E499 HydrophobicContact CG1-CB 3.8Å; V453-E499 HydrophobicContact CG1-CG 3.96Å; V453-E499 HydrophobicContact CG2-CB 4.49Å; V453-E499 HydrophobicContact CG2-CG 3.99Å; K456-E499 WeakPolarHBondContact CD-OE1 3.31Å; K456-E499 IonicContact NZ-OE1 2.6Å; K456-E499 PolarHBondContact NZ-OE1 3.45Å; K456-E499 IonicContact NZ-OE2 2.72Å; K456-E499 PolarHBondContact NZ-OE2 3.08Å; Y457-E499 VanDerWaalsContact CE2-OE2 3.31Å; Y457-E499 WeakPolarHBondContact CE2-OE2 3.29Å; Y457-E499 PolarHBondContact OH-OE2 2.97Å; K495-E499 WeakPolarHBondContact O-CB 3.37Å; K495-E499 PolarHBondContact O-N 3.44Å; F496-E499 PolarHBondContact O-N 3.42Å; I497-E499 PolarHBondContact O-N 3Å; E499-W501 VanDerWaalsContact C-N 3.34Å; E499-G502 PolarHBondContact O-N 3.41Å; E499-M503 VanDerWaalsContact O-CB 3.28Å; E499-M503 WeakPolarHBondContact O-CB 3.38Å; E499-M503 PolarHBondContact O-N 2.92Å |
| 500 | S | 96 | Very high | 94.7 | Very high | 3 Ų | 3 | 65.3 Ų | 65.3 | 2% | 0.021 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.8 | -45.1 | 171.9 | -70 | 0 | 0 | 0 | 0 | 111.3 | A449 N450 V453 F496 I497 M503 A504 | A449-S500 WeakPolarHBondContact CB-O 3.32Å; A449-S500 PolarHBondContact O-OG 3.05Å; N450-S500 WeakPolarHBondContact OD1-CB 3.5Å; N450-S500 PolarHBondContact OD1-OG 3.45Å; V453-S500 VanDerWaalsContact CB-OG 3.25Å; V453-S500 WeakPolarHBondContact CB-OG 3.49Å; F496-S500 WeakPolarHBondContact CE2-OG 3.39Å; F496-S500 VanDerWaalsContact O-CB 3.29Å; F496-S500 WeakPolarHBondContact O-CB 3.33Å; F496-S500 PolarHBondContact O-N 3.33Å; F496-S500 PolarHBondContact O-OG 2.92Å; F496-S500 VanDerWaalsContact O-OG 3.08Å; I497-S500 PolarHBondContact O-N 3.43Å; S500-M503 PolarHBondContact O-N 3.41Å; S500-A504 PolarHBondContact O-N 3.1Å |
| 501 | W | 93.6 | Very high | 94.3 | Very high | 88 Ų | 88 | 60.9 Ų | 60.9 | 33% | 0.333 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.9 | -47.7 | 176.1 | -167.6 | -70.1 | 0 | 0 | 0 | 111.9 | D474 W478 I497 E499 M503 A504 H505 | D474-W501 HydrophobicContact CB-CH2 4.19Å; D474-W501 HydrophobicContact CB-CZ3 4.02Å; D474-W501 VanDerWaalsContact CG-CH2 3.45Å; D474-W501 WeakPolarHBondContact OD1-CZ3 3.41Å; D474-W501 WeakPolarHBondContact OD2-CH2 3.32Å; W478-W501 HydrophobicContact CZ2-CD2 4.45Å; W478-W501 AromaticContact CZ2-CE3 3.72Å; W478-W501 HydrophobicContact CZ2-CE3 3.72Å; W478-W501 HydrophobicContact CZ2-CH2 4.17Å; W478-W501 AromaticContact CZ2-CZ3 3.56Å; W478-W501 HydrophobicContact CZ2-CZ3 3.56Å; W478-W501 AromaticContact NE1-CE3 3.95Å; W478-W501 AromaticContact NE1-CZ3 3.94Å; I497-W501 VanDerWaalsContact O-CB 3.31Å; I497-W501 WeakPolarHBondContact O-CB 3.49Å; I497-W501 PolarHBondContact O-N 3.42Å; E499-W501 VanDerWaalsContact C-N 3.34Å; W501-M503 VanDerWaalsContact C-N 3.34Å; W501-M503 PolarHBondContact O-N 2.95Å; W501-A504 PolarHBondContact O-N 3.15Å; W501-H505 WeakPolarHBondContact O-CB 3.37Å; W501-H505 PolarHBondContact O-N 3.13Å |
| 502 | G | 95.8 | Very high | 93.9 | Very high | 29 Ų | 29 | 60 Ų | 60 | 30% | 0.299 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -59.6 | -43.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | D498 E499 H505 D506 | D498-G502 PolarHBondContact O-N 2.98Å; E499-G502 PolarHBondContact O-N 3.41Å; G502-H505 PolarHBondContact O-N 3.12Å; G502-D506 WeakPolarHBondContact O-CB 3.35Å; G502-D506 PolarHBondContact O-N 2.84Å |
| 503 | M | 95.8 | Very high | 93.7 | Very high | 69 Ų | 69 | 59.3 Ų | 59.3 | 34% | 0.34 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.1 | -46.5 | 178.6 | -178.4 | 179.4 | -65.5 | 0 | 0 | 112.2 | A449 V452 V453 E499 S500 W501 H505 D506 R507 | A449-M503 HydrophobicContact CB-CB 4.07Å; A449-M503 HydrophobicContact CB-CG 3.99Å; A449-M503 HydrophobicContact CB-SD 3.99Å; V452-M503 HydrophobicContact CB-SD 4.2Å; V452-M503 HydrophobicContact CG1-CE 3.91Å; V452-M503 HydrophobicContact CG1-SD 4.12Å; V453-M503 HydrophobicContact CG2-CE 3.53Å; V453-M503 HydrophobicContact CG2-SD 4.06Å; E499-M503 VanDerWaalsContact O-CB 3.28Å; E499-M503 WeakPolarHBondContact O-CB 3.38Å; E499-M503 PolarHBondContact O-N 2.92Å; S500-M503 PolarHBondContact O-N 3.41Å; W501-M503 VanDerWaalsContact C-N 3.34Å; W501-M503 PolarHBondContact O-N 2.95Å; M503-H505 VanDerWaalsContact C-N 3.35Å; M503-D506 PolarHBondContact O-N 3.42Å; M503-R507 PolarHBondContact O-N 3.39Å |
| 504 | A | 93.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.6 | -44.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | I445 Y446 A449 S500 W501 D506 R507 F508 | I445-A504 HydrophobicContact CG2-CB 4.05Å; Y446-A504 HydrophobicContact CD1-CB 3.44Å; Y446-A504 VanDerWaalsContact CD1-CB 3.44Å; Y446-A504 HydrophobicContact CE1-CB 3.61Å; Y446-A504 HydrophobicContact CG-CB 4.29Å; A449-A504 HydrophobicContact CB-CB 4.08Å; S500-A504 PolarHBondContact O-N 3.1Å; W501-A504 PolarHBondContact O-N 3.15Å; A504-D506 PolarHBondContact O-N 3.41Å; A504-R507 WeakPolarHBondContact O-CA 3.25Å; A504-R507 VanDerWaalsContact O-CB 3.32Å; A504-R507 WeakPolarHBondContact O-CB 3.18Å; A504-R507 PolarHBondContact O-N 3.01Å; A504-R507 VanDerWaalsContact O-N 3.12Å; A504-F508 HydrophobicContact CB-CE2 4.22Å; A504-F508 HydrophobicContact CB-CZ 4.33Å; A504-F508 WeakPolarHBondContact O-CD2 3.37Å; A504-F508 WeakPolarHBondContact O-CG 3.35Å; A504-F508 PolarHBondContact O-N 3.1Å |
| 505 | H | 92.9 | Very high | 93.3 | Very high | 90 Ų | 90 | 65 Ų | 65 | 42% | 0.417 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -66.2 | -36.9 | 179.9 | -169 | 64.2 | 0 | 0 | 0 | 113.2 | W501 G502 M503 R507 F508 K509 | W501-H505 WeakPolarHBondContact O-CB 3.37Å; W501-H505 PolarHBondContact O-N 3.13Å; G502-H505 PolarHBondContact O-N 3.12Å; M503-H505 VanDerWaalsContact C-N 3.35Å; H505-R507 VanDerWaalsContact C-N 3.3Å; H505-F508 PolarHBondContact O-N 3.23Å; H505-K509 WeakPolarHBondContact CD2-CE 3.41Å; H505-K509 PolarHBondContact CD2-NZ 3.06Å; H505-K509 WeakPolarHBondContact NE2-CE 3.37Å; H505-K509 WeakPolarHBondContact O-CG 3.39Å; H505-K509 PolarHBondContact O-N 3.18Å; H505-K509 VanDerWaalsContact O-N 3.13Å |
| 506 | D | 94.4 | Very high | 92.9 | Very high | 92 Ų | 92 | 63.1 Ų | 63.1 | 49% | 0.492 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -66.7 | -33.4 | 173 | -76.4 | -15.3 | 0 | 0 | 0 | 112 | G502 M503 A504 K509 | G502-D506 WeakPolarHBondContact O-CB 3.35Å; G502-D506 PolarHBondContact O-N 2.84Å; M503-D506 PolarHBondContact O-N 3.42Å; A504-D506 PolarHBondContact O-N 3.41Å; D506-K509 PolarHBondContact O-N 3.4Å; D506-K509 IonicContact OD1-NZ 3.89Å; D506-K509 PolarHBondContact OD1-NZ 3.5Å |
| 507 | R | 91.1 | Very high | 92.6 | Very high | 99 Ų | 99 | 69.3 Ų | 69.3 | 37% | 0.374 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.6 | -44.3 | 170.7 | -170.8 | 67.7 | 177.3 | 151.8 | 9.4 | 111.6 | I445 M503 A504 H505 K509 T510 E512 | I445-R507 HydrophobicContact CD1-CG 3.94Å; I445-R507 HydrophobicContact CG1-CG 4.17Å; I445-R507 HydrophobicContact CG2-CB 3.8Å; I445-R507 HydrophobicContact CG2-CG 3.8Å; M503-R507 PolarHBondContact O-N 3.39Å; A504-R507 WeakPolarHBondContact O-CA 3.25Å; A504-R507 VanDerWaalsContact O-CB 3.32Å; A504-R507 WeakPolarHBondContact O-CB 3.18Å; A504-R507 PolarHBondContact O-N 3.01Å; A504-R507 VanDerWaalsContact O-N 3.12Å; H505-R507 VanDerWaalsContact C-N 3.3Å; R507-K509 VanDerWaalsContact C-N 3.27Å; R507-K509 PolarHBondContact O-N 2.87Å; R507-T510 PolarHBondContact O-N 2.81Å; R507-T510 VanDerWaalsContact O-N 3.12Å; R507-T510 PolarHBondContact O-OG1 3.41Å; R507-E512 IonicContact CZ-OE2 2.83Å; R507-E512 IonicContact NH1-OE2 2.65Å; R507-E512 PolarHBondContact NH1-OE2 2.81Å; R507-E512 IonicContact NH2-OE2 2.7Å; R507-E512 PolarHBondContact NH2-OE2 3.47Å |
| 508 | F | 90.9 | Very high | 92.2 | Very high | 44 Ų | 44 | 70.9 Ų | 70.9 | 19% | 0.193 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -60.8 | -36 | 177.2 | -57.5 | -37.3 | 0 | 0 | 0 | 112.9 | T442 I445 Y446 A504 H505 T510 G511 V513 | T442-F508 HydrophobicContact CG2-CE1 3.88Å; T442-F508 HydrophobicContact CG2-CZ 4.11Å; I445-F508 HydrophobicContact CB-CE1 3.81Å; I445-F508 HydrophobicContact CB-CZ 4.33Å; I445-F508 HydrophobicContact CD1-CD1 3.85Å; I445-F508 HydrophobicContact CD1-CE1 3.6Å; I445-F508 HydrophobicContact CG1-CE1 4.29Å; I445-F508 HydrophobicContact CG2-CD1 4.24Å; I445-F508 HydrophobicContact CG2-CE1 3.61Å; I445-F508 HydrophobicContact CG2-CZ 4Å; Y446-F508 HydrophobicContact CD2-CZ 4.07Å; Y446-F508 HydrophobicContact CE1-CE2 4.06Å; Y446-F508 HydrophobicContact CE1-CZ 4.27Å; Y446-F508 AromaticContact CE2-CE2 3.93Å; Y446-F508 HydrophobicContact CE2-CE2 3.93Å; Y446-F508 AromaticContact CE2-CZ 3.65Å; Y446-F508 HydrophobicContact CE2-CZ 3.65Å; Y446-F508 AromaticContact CZ-CE2 3.58Å; Y446-F508 AromaticContact CZ-CZ 3.77Å; A504-F508 HydrophobicContact CB-CE2 4.22Å; A504-F508 HydrophobicContact CB-CZ 4.33Å; A504-F508 WeakPolarHBondContact O-CD2 3.37Å; A504-F508 WeakPolarHBondContact O-CG 3.35Å; A504-F508 PolarHBondContact O-N 3.1Å; H505-F508 PolarHBondContact O-N 3.23Å; F508-T510 PolarHBondContact O-N 2.94Å; F508-G511 PolarHBondContact O-N 3.18Å; F508-G511 VanDerWaalsContact O-N 3.09Å; F508-V513 HydrophobicContact CD1-CG2 3.81Å |
| 509 | K | 91.1 | Very high | 92 | Very high | 133 Ų | 133 | 66.7 Ų | 66.7 | 58% | 0.578 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -64.5 | -20.6 | 177.4 | -71 | 173 | -163.9 | 153.8 | 0 | 114.1 | H505 D506 R507 G511 | H505-K509 WeakPolarHBondContact CD2-CE 3.41Å; H505-K509 PolarHBondContact CD2-NZ 3.06Å; H505-K509 WeakPolarHBondContact NE2-CE 3.37Å; H505-K509 WeakPolarHBondContact O-CG 3.39Å; H505-K509 PolarHBondContact O-N 3.18Å; H505-K509 VanDerWaalsContact O-N 3.13Å; D506-K509 PolarHBondContact O-N 3.4Å; D506-K509 IonicContact OD1-NZ 3.89Å; D506-K509 PolarHBondContact OD1-NZ 3.5Å; R507-K509 VanDerWaalsContact C-N 3.27Å; R507-K509 PolarHBondContact O-N 2.87Å; K509-G511 PolarHBondContact O-N 2.98Å |
| 510 | T | 92 | Very high | 91.7 | Very high | 77 Ų | 77 | 70.2 Ų | 70.2 | 47% | 0.472 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -19.5 | 176.2 | 73.3 | 0 | 0 | 0 | 0 | 112 | R507 F508 E512 | R507-T510 PolarHBondContact O-N 2.81Å; R507-T510 VanDerWaalsContact O-N 3.12Å; R507-T510 PolarHBondContact O-OG1 3.41Å; F508-T510 PolarHBondContact O-N 2.94Å; T510-E512 PolarHBondContact O-N 2.85Å; T510-E512 WeakPolarHBondContact OG1-CB 3.07Å; T510-E512 PolarHBondContact OG1-N 2.95Å; T510-E512 VanDerWaalsContact OG1-N 3.15Å |
| 511 | G | 86.3 | Confident | 91.4 | Very high | 62 Ų | 62 | 76.2 Ų | 76.2 | 64% | 0.639 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.6 | 2.8 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | F508 K509 V513 | F508-G511 PolarHBondContact O-N 3.18Å; F508-G511 VanDerWaalsContact O-N 3.09Å; K509-G511 PolarHBondContact O-N 2.98Å; G511-V513 VanDerWaalsContact C-N 3.28Å; G511-V513 PolarHBondContact O-N 3.35Å; G511-V513 VanDerWaalsContact O-N 3.1Å |
| 512 | E | 86.9 | Confident | 91.2 | Very high | 113 Ų | 113 | 75.3 Ų | 75.3 | 53% | 0.528 | 41% | 0.409 | S | S | . | . | trans | -86.1 | 69.7 | 176.3 | -62.6 | 178.9 | -174.7 | 0 | 0 | 110.1 | R507 T510 | R507-E512 IonicContact CZ-OE2 2.83Å; R507-E512 IonicContact NH1-OE2 2.65Å; R507-E512 PolarHBondContact NH1-OE2 2.81Å; R507-E512 IonicContact NH2-OE2 2.7Å; R507-E512 PolarHBondContact NH2-OE2 3.47Å; T510-E512 PolarHBondContact O-N 2.85Å; T510-E512 WeakPolarHBondContact OG1-CB 3.07Å; T510-E512 PolarHBondContact OG1-N 2.95Å; T510-E512 VanDerWaalsContact OG1-N 3.15Å | ||
| 513 | V | 91.1 | Very high | 90.9 | Very high | 30 Ų | 30 | 75.6 Ų | 75.6 | 18% | 0.182 | 40% | 0.403 | C | S | . | . | trans | -117.7 | 117.7 | 174.8 | -171 | 0 | 0 | 0 | 0 | 108.6 | F440 T442 I445 F508 G511 | F440-V513 HydrophobicContact CB-CG1 3.73Å; F440-V513 HydrophobicContact CD1-CB 4.09Å; F440-V513 HydrophobicContact CD1-CG1 3.94Å; F440-V513 HydrophobicContact CG-CG1 4.24Å; T442-V513 HydrophobicContact CG2-CG1 4.42Å; I445-V513 HydrophobicContact CD1-CB 4.23Å; I445-V513 HydrophobicContact CD1-CG1 3.87Å; I445-V513 HydrophobicContact CD1-CG2 3.89Å; F508-V513 HydrophobicContact CD1-CG2 3.81Å; G511-V513 VanDerWaalsContact C-N 3.28Å; G511-V513 PolarHBondContact O-N 3.35Å; G511-V513 VanDerWaalsContact O-N 3.1Å | ||
| 514 | D | 92 | Very high | 90.7 | Very high | 128 Ų | 128 | 75 Ų | 75 | 68% | 0.684 | 41% | 0.41 | S | S | * | . | P | Polyproline II helix | trans | -68.5 | 153.1 | 178.9 | -68 | -35.9 | 0 | 0 | 0 | 110.7 | D441 | D441-D514 PolarHBondContact N-O 3.24Š|
| 515 | L | 91.4 | Very high | 90.4 | Very high | 59 Ų | 59 | 80.8 Ų | 80.8 | 31% | 0.309 | 43% | 0.432 | S | S | . | . | B | Isolated β-bridge | trans | -83.9 | 148.5 | 170.8 | -65.8 | 174.4 | 0 | 0 | 0 | 110 | L439 F440 V519 | L439-L515 CarbonylContact O-C 3.58Å; L439-L515 VanDerWaalsContact O-CA 3.28Å; L439-L515 WeakPolarHBondContact O-CA 3.27Å; L439-L515 WeakPolarHBondContact O-CD2 3.34Å; F440-L515 HydrophobicContact CD1-CD2 3.79Å; F440-L515 HydrophobicContact CE1-CD2 3.69Å; F440-L515 HydrophobicContact CG-CD2 4.36Å; F440-L515 HydrophobicContact CZ-CD2 4.14Å; L515-V519 HydrophobicContact CB-CB 4.25Å; L515-V519 HydrophobicContact CB-CG1 4.38Å; L515-V519 HydrophobicContact CD1-CG1 4.12Å; L515-V519 HydrophobicContact CD2-CG1 4.23Å; L515-V519 HydrophobicContact CG-CG1 4.49Å |
| 516 | K | 90.2 | Very high | 90.1 | Very high | 52 Ų | 52 | 76.6 Ų | 76.6 | 23% | 0.226 | 41% | 0.413 | C | S | . | . | P | Polyproline II helix | trans | -62.1 | 147.3 | 170.9 | -79.3 | -161.7 | 166.7 | -173.9 | 0 | 111 | G437 L439 D441 E443 G518 V519 | G437-K516 VanDerWaalsContact O-CD 3.27Å; G437-K516 WeakPolarHBondContact O-CD 3.47Å; G437-K516 WeakPolarHBondContact O-CE 3.38Å; G437-K516 PolarHBondContact O-NZ 2.92Å; L439-K516 PolarHBondContact O-N 3.43Å; D441-K516 HydrophobicContact CB-CG 4.06Å; E443-K516 IonicContact OE1-NZ 3.69Å; E443-K516 IonicContact OE2-NZ 2.83Å; E443-K516 PolarHBondContact OE2-NZ 2.88Å; K516-G518 PolarHBondContact O-N 3.42Å; K516-V519 HydrophobicContact CB-CG2 3.95Å; K516-V519 WeakPolarHBondContact O-CB 3.24Å; K516-V519 WeakPolarHBondContact O-CG2 3.44Å; K516-V519 PolarHBondContact O-N 3.12Å |
| 517 | P | 89.7 | Confident | 89.9 | Confident | 129 Ų | 129 | 79 Ų | 79 | 84% | 0.838 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | 139.1 | 172.3 | -24.6 | 34 | 0 | 0 | 0 | 111.3 | V519 | P517-V519 VanDerWaalsContact C-N 3.33Å; P517-V519 PolarHBondContact O-N 3.46Å |
| 518 | G | 88.7 | Confident | 89.8 | Confident | 39 Ų | 39 | 80.7 Ų | 80.7 | 40% | 0.402 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89 | -14 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115 | K516 H520 E521 L522 | K516-G518 PolarHBondContact O-N 3.42Å; G518-H520 PolarHBondContact O-N 3.05Å; G518-E521 WeakPolarHBondContact CA-OE2 3.32Å; G518-E521 PolarHBondContact N-OE2 3.44Å; G518-E521 PolarHBondContact O-N 2.98Å; G518-L522 WeakPolarHBondContact O-CB 3.49Å; G518-L522 PolarHBondContact O-N 3.36Å |
| 519 | V | 91.3 | Very high | 89.4 | Confident | 7 Ų | 7 | 83 Ų | 83 | 4% | 0.042 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -63.7 | -42.6 | -178.4 | 170.3 | 0 | 0 | 0 | 0 | 111.4 | L439 L515 K516 P517 E521 L522 L523 | L439-V519 HydrophobicContact CD2-CG1 3.87Å; L439-V519 HydrophobicContact CD2-CG2 4.15Å; L515-V519 HydrophobicContact CB-CB 4.25Å; L515-V519 HydrophobicContact CB-CG1 4.38Å; L515-V519 HydrophobicContact CD1-CG1 4.12Å; L515-V519 HydrophobicContact CD2-CG1 4.23Å; L515-V519 HydrophobicContact CG-CG1 4.49Å; K516-V519 HydrophobicContact CB-CG2 3.95Å; K516-V519 WeakPolarHBondContact O-CB 3.24Å; K516-V519 WeakPolarHBondContact O-CG2 3.44Å; K516-V519 PolarHBondContact O-N 3.12Å; P517-V519 VanDerWaalsContact C-N 3.33Å; P517-V519 PolarHBondContact O-N 3.46Å; V519-E521 VanDerWaalsContact C-N 3.34Å; V519-E521 PolarHBondContact O-N 3.23Å; V519-L522 PolarHBondContact O-N 2.88Å; V519-L523 HydrophobicContact CG1-CD1 3.73Å; V519-L523 HydrophobicContact CG1-CG 4.14Å; V519-L523 WeakPolarHBondContact O-CB 3.28Å; V519-L523 WeakPolarHBondContact O-CG 3.4Å; V519-L523 PolarHBondContact O-N 3.05Å |
| 520 | H | 91.3 | Very high | 89.2 | Confident | 131 Ų | 131 | 85 Ų | 85 | 61% | 0.606 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -62.7 | -42.5 | 177.8 | -76.1 | -57.6 | 0 | 0 | 0 | 112.1 | G518 L523 A524 | G518-H520 PolarHBondContact O-N 3.05Å; H520-L523 PolarHBondContact O-N 2.83Å; H520-A524 WeakPolarHBondContact O-CB 3.25Å; H520-A524 PolarHBondContact O-N 2.88Å |
| 521 | E | 90.7 | Very high | 88.8 | Confident | 129 Ų | 129 | 83 Ų | 83 | 60% | 0.603 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -63.8 | -45.3 | 177.7 | -64.8 | 83 | 172.7 | 0 | 0 | 111.3 | G518 V519 A524 Y525 | G518-E521 WeakPolarHBondContact CA-OE2 3.32Å; G518-E521 PolarHBondContact N-OE2 3.44Å; G518-E521 PolarHBondContact O-N 2.98Å; V519-E521 VanDerWaalsContact C-N 3.34Å; V519-E521 PolarHBondContact O-N 3.23Å; E521-A524 PolarHBondContact O-N 3.01Å; E521-Y525 WeakPolarHBondContact O-CB 3.26Å; E521-Y525 PolarHBondContact O-N 3.44Å |
| 522 | L | 88.3 | Confident | 88.6 | Confident | 70 Ų | 70 | 83.8 Ų | 83.8 | 37% | 0.366 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -60.6 | -47.9 | 175.5 | 177.4 | 60.8 | 0 | 0 | 0 | 111.3 | F433 G518 V519 A524 Y525 L526 | F433-L522 HydrophobicContact CE1-CD2 3.78Å; F433-L522 HydrophobicContact CZ-CD2 4.01Å; F433-L522 HydrophobicContact CZ-CG 4.39Å; G518-L522 WeakPolarHBondContact O-CB 3.49Å; G518-L522 PolarHBondContact O-N 3.36Å; V519-L522 PolarHBondContact O-N 2.88Å; L522-A524 PolarHBondContact O-N 3.4Å; L522-Y525 WeakPolarHBondContact O-CB 3.2Å; L522-Y525 PolarHBondContact O-N 2.95Å; L522-L526 HydrophobicContact CD1-CG 4.44Å; L522-L526 WeakPolarHBondContact O-CG 3.28Å; L522-L526 PolarHBondContact O-N 2.93Å |
| 523 | L | 90.3 | Very high | 88.4 | Confident | 34 Ų | 34 | 85.6 Ų | 85.6 | 18% | 0.178 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -64.2 | -41.1 | 179.1 | -66.4 | 175.6 | 0 | 0 | 0 | 111.5 | F433 V519 H520 Y525 L526 E527 R533 | F433-L523 HydrophobicContact CE2-CD2 4.18Å; V519-L523 HydrophobicContact CG1-CD1 3.73Å; V519-L523 HydrophobicContact CG1-CG 4.14Å; V519-L523 WeakPolarHBondContact O-CB 3.28Å; V519-L523 WeakPolarHBondContact O-CG 3.4Å; V519-L523 PolarHBondContact O-N 3.05Å; H520-L523 PolarHBondContact O-N 2.83Å; L523-Y525 VanDerWaalsContact C-N 3.33Å; L523-Y525 PolarHBondContact O-N 2.7Å; L523-L526 PolarHBondContact O-N 3.2Å; L523-E527 PolarHBondContact O-N 2.9Å; L523-E527 VanDerWaalsContact O-N 3.11Å; L523-R533 VanDerWaalsContact C-NH1 3.27Å; L523-R533 PolarHBondContact O-NH1 2.6Å |
| 524 | A | 90.8 | Very high | 88.2 | Confident | 57 Ų | 57 | 88.4 Ų | 88.4 | 47% | 0.471 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -62.9 | -41.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | H520 E521 L522 E527 E528 | H520-A524 WeakPolarHBondContact O-CB 3.25Å; H520-A524 PolarHBondContact O-N 2.88Å; E521-A524 PolarHBondContact O-N 3.01Å; L522-A524 PolarHBondContact O-N 3.4Å; A524-E527 PolarHBondContact O-N 3.37Å; A524-E528 PolarHBondContact O-N 3.08Å |
| 525 | Y | 86.9 | Confident | 88 | Confident | 121 Ų | 121 | 86.3 Ų | 86.3 | 48% | 0.475 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -61.3 | -45.5 | 176.2 | 178.3 | -92.9 | 0 | 0 | 0 | 112.2 | E521 L522 L523 E527 E528 K529 | E521-Y525 WeakPolarHBondContact O-CB 3.26Å; E521-Y525 PolarHBondContact O-N 3.44Å; L522-Y525 WeakPolarHBondContact O-CB 3.2Å; L522-Y525 PolarHBondContact O-N 2.95Å; L523-Y525 VanDerWaalsContact C-N 3.33Å; L523-Y525 PolarHBondContact O-N 2.7Å; Y525-E527 VanDerWaalsContact C-N 3.3Å; Y525-E527 PolarHBondContact O-N 3.22Å; Y525-E528 WeakPolarHBondContact O-CB 3.36Å; Y525-E528 PolarHBondContact O-N 3.42Å; Y525-K529 HydrophobicContact CD1-CG 4.15Å; Y525-K529 HydrophobicContact CD2-CG 4.44Å; Y525-K529 HydrophobicContact CE1-CG 3.71Å; Y525-K529 HydrophobicContact CE2-CD 4.42Å; Y525-K529 VanDerWaalsContact CE2-CE 3.43Å; Y525-K529 HydrophobicContact CE2-CG 4.07Å; Y525-K529 HydrophobicContact CG-CG 4.49Å; Y525-K529 WeakPolarHBondContact O-CG 3.31Å; Y525-K529 PolarHBondContact O-N 3.23Å |
| 526 | L | 87.9 | Confident | 87.9 | Confident | 3 Ų | 3 | 87.8 Ų | 87.8 | 2% | 0.016 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -63.9 | -37 | 178.4 | -64.8 | 179.2 | 0 | 0 | 0 | 112.6 | I431 F433 L522 L523 K529 E530 I531 R533 | I431-L526 HydrophobicContact CD1-CD1 3.91Å; I431-L526 HydrophobicContact CD1-CD2 3.41Å; I431-L526 VanDerWaalsContact CD1-CD2 3.41Å; I431-L526 HydrophobicContact CD1-CG 4.31Å; I431-L526 HydrophobicContact CG1-CD2 4.44Å; F433-L526 HydrophobicContact CE2-CD1 3.84Å; F433-L526 HydrophobicContact CZ-CD1 3.51Å; L522-L526 HydrophobicContact CD1-CG 4.44Å; L522-L526 WeakPolarHBondContact O-CG 3.28Å; L522-L526 PolarHBondContact O-N 2.93Å; L523-L526 PolarHBondContact O-N 3.2Å; L526-K529 PolarHBondContact O-N 3.2Å; L526-E530 PolarHBondContact O-N 3.04Å; L526-E530 VanDerWaalsContact O-N 3.14Å; L526-I531 HydrophobicContact CB-CB 4.42Å; L526-I531 HydrophobicContact CD2-CB 3.96Å; L526-I531 HydrophobicContact CD2-CD1 3.96Å; L526-I531 HydrophobicContact CD2-CG2 4.02Å; L526-I531 PolarHBondContact O-N 2.72Å; L526-R533 HydrophobicContact CD1-CB 4.35Å |
| 527 | E | 90 | Very high | 87.7 | Confident | 141 Ų | 141 | 89.9 Ų | 89.9 | 66% | 0.659 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -66.3 | -42.7 | 174.7 | -171.6 | 169.1 | -176.3 | 0 | 0 | 111.4 | L523 A524 Y525 K529 E530 | L523-E527 PolarHBondContact O-N 2.9Å; L523-E527 VanDerWaalsContact O-N 3.11Å; A524-E527 PolarHBondContact O-N 3.37Å; Y525-E527 VanDerWaalsContact C-N 3.3Å; Y525-E527 PolarHBondContact O-N 3.22Å; E527-K529 VanDerWaalsContact C-N 3.32Å; E527-K529 PolarHBondContact O-N 3.49Å; E527-E530 PolarHBondContact O-N 3.5Å |
| 528 | E | 88.4 | Confident | 87.6 | Confident | 135 Ų | 135 | 87.5 Ų | 87.5 | 63% | 0.631 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -60.3 | -40.3 | 174 | -171.2 | -157.9 | 129.6 | 0 | 0 | 112.3 | A524 Y525 E530 | A524-E528 PolarHBondContact O-N 3.08Å; Y525-E528 WeakPolarHBondContact O-CB 3.36Å; Y525-E528 PolarHBondContact O-N 3.42Å; E528-E530 PolarHBondContact O-N 2.65Å |
| 529 | K | 81.9 | Confident | 87.5 | Confident | 93 Ų | 93 | 90.7 Ų | 90.7 | 40% | 0.404 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | 3.1 | 179.6 | -60.7 | -52.4 | 178.8 | -150.6 | 0 | 113.9 | Y525 L526 E527 I531 | Y525-K529 HydrophobicContact CD1-CG 4.15Å; Y525-K529 HydrophobicContact CD2-CG 4.44Å; Y525-K529 HydrophobicContact CE1-CG 3.71Å; Y525-K529 HydrophobicContact CE2-CD 4.42Å; Y525-K529 VanDerWaalsContact CE2-CE 3.43Å; Y525-K529 HydrophobicContact CE2-CG 4.07Å; Y525-K529 HydrophobicContact CG-CG 4.49Å; Y525-K529 WeakPolarHBondContact O-CG 3.31Å; Y525-K529 PolarHBondContact O-N 3.23Å; L526-K529 PolarHBondContact O-N 3.2Å; E527-K529 VanDerWaalsContact C-N 3.32Å; E527-K529 PolarHBondContact O-N 3.49Å; K529-I531 HydrophobicContact CB-CD1 3.66Å; K529-I531 HydrophobicContact CB-CG1 3.75Å; K529-I531 HydrophobicContact CG-CD1 4.41Å; K529-I531 PolarHBondContact O-N 2.64Å |
| 530 | E | 86.6 | Confident | 87.3 | Confident | 175 Ų | 175 | 96.7 Ų | 96.7 | 82% | 0.818 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | 32.3 | -174.6 | -56 | -175.4 | 140.9 | 0 | 0 | 112.8 | L526 E527 E528 P532 | L526-E530 PolarHBondContact O-N 3.04Å; L526-E530 VanDerWaalsContact O-N 3.14Å; E527-E530 PolarHBondContact O-N 3.5Å; E528-E530 PolarHBondContact O-N 2.65Å; E530-P532 WeakPolarHBondContact O-CD 3.48Å |
| 531 | I | 83.2 | Confident | 87 | Confident | 35 Ų | 35 | 94.1 Ų | 94.1 | 18% | 0.179 | 45% | 0.452 | C | S | . | . | trans | -87.6 | 117.6 | 178.4 | -62 | 171.4 | 0 | 0 | 0 | 108.1 | V428 I431 L526 K529 | V428-I531 HydrophobicContact CB-CD1 4.45Å; V428-I531 HydrophobicContact CB-CG2 4.24Å; V428-I531 HydrophobicContact CG1-CG2 3.71Å; I431-I531 HydrophobicContact CD1-CG2 4.3Å; I431-I531 HydrophobicContact CG1-CG2 4.03Å; L526-I531 HydrophobicContact CB-CB 4.42Å; L526-I531 HydrophobicContact CD2-CB 3.96Å; L526-I531 HydrophobicContact CD2-CD1 3.96Å; L526-I531 HydrophobicContact CD2-CG2 4.02Å; L526-I531 PolarHBondContact O-N 2.72Å; K529-I531 HydrophobicContact CB-CD1 3.66Å; K529-I531 HydrophobicContact CB-CG1 3.75Å; K529-I531 HydrophobicContact CG-CD1 4.41Å; K529-I531 PolarHBondContact O-N 2.64Å | ||
| 532 | P | 84.1 | Confident | 86.6 | Confident | 78 Ų | 78 | 91.2 Ų | 91.2 | 51% | 0.506 | 44% | 0.44 | S | S | . | . | trans | -59.2 | 144.4 | 175.9 | -24 | 35.3 | 0 | 0 | 0 | 112 | K429 G430 I431 E530 | K429-P532 VanDerWaalsContact O-CD 3.32Å; K429-P532 WeakPolarHBondContact O-CD 3.32Å; K429-P532 VanDerWaalsContact O-CG 3.32Å; K429-P532 WeakPolarHBondContact O-CG 3.32Å; G430-P532 CarbonylContact C-O 3.56Å; G430-P532 WeakPolarHBondContact CA-O 3.04Å; I431-P532 PolarHBondContact N-O 2.88Å; E530-P532 WeakPolarHBondContact O-CD 3.48Å | ||
| 533 | R | 81.4 | Confident | 86.5 | Confident | 152 Ų | 152 | 93.1 Ų | 93.1 | 57% | 0.574 | 45% | 0.446 | S | S | * | . | trans | -131.2 | 0 | 173.6 | 57.6 | 171.6 | 178.2 | -116.4 | 4.5 | 110.9 | I431 F433 L523 L526 | I431-R533 WeakPolarHBondContact O-CA 3.36Å; I431-R533 VanDerWaalsContact O-OXT 3.14Å; F433-R533 HydrophobicContact CD2-CB 4.26Å; F433-R533 HydrophobicContact CE2-CB 3.74Å; L523-R533 VanDerWaalsContact C-NH1 3.27Å; L523-R533 PolarHBondContact O-NH1 2.6Å; L526-R533 HydrophobicContact CD1-CB 4.35Å |
Retrieved 533 of 533 residues in 296.7 ms
(Link to these results)