| 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 | 81.9 | Confident | 94.2 | Very high | 203 Ų | 203 | 119.9 Ų | 119.9 | 100% | 1 | 60% | 0.602 | S | S | * | * | 0 | -54.9 | 0 | -163.6 | 172.2 | 75.1 | 0 | 0 | 111.5 | L3 K4 L5 | M1-L3 PolarHBondContact O-N 3.25Å; M1-K4 PolarHBondContact O-N 3.05Å; M1-K4 VanDerWaalsContact O-N 3.1Å; M1-L5 PolarHBondContact O-N 3.39Å | |||
| 2 | L | 91.7 | Very high | 94.4 | Very high | 149 Ų | 149 | 124.8 Ų | 124.8 | 78% | 0.78 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -50.5 | -45.8 | 177.9 | -78.2 | 140.1 | 0 | 0 | 0 | 114.6 | K4 L5 F6 | L2-K4 VanDerWaalsContact C-N 3.35Å; L2-K4 PolarHBondContact O-N 3.25Å; L2-L5 PolarHBondContact O-N 3.22Å; L2-F6 PolarHBondContact O-N 2.98Å |
| 3 | L | 93.3 | Very high | 94.5 | Very high | 129 Ų | 129 | 121 Ų | 121 | 68% | 0.675 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -61.3 | -40.4 | 178.6 | -177.4 | 62.8 | 0 | 0 | 0 | 112.9 | M1 F6 V7 | M1-L3 PolarHBondContact O-N 3.25Å; L3-F6 PolarHBondContact O-N 3.38Å; L3-V7 WeakPolarHBondContact O-CG2 3.16Å; L3-V7 PolarHBondContact O-N 2.77Å |
| 4 | K | 95 | Very high | 94.5 | Very high | 166 Ų | 166 | 121.8 Ų | 121.8 | 72% | 0.722 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -64.8 | -42.6 | 177.9 | -67.9 | -172.5 | 176.7 | -173.7 | 0 | 111.2 | M1 L2 F6 V7 I8 | M1-K4 PolarHBondContact O-N 3.05Å; M1-K4 VanDerWaalsContact O-N 3.1Å; L2-K4 VanDerWaalsContact C-N 3.35Å; L2-K4 PolarHBondContact O-N 3.25Å; K4-F6 VanDerWaalsContact C-N 3.35Å; K4-V7 PolarHBondContact O-N 3.03Å; K4-I8 WeakPolarHBondContact O-CG1 3.5Å; K4-I8 PolarHBondContact O-N 2.92Å; K4-I8 VanDerWaalsContact O-N 3.12Å |
| 5 | L | 95.3 | Very high | 94.3 | Very high | 111 Ų | 111 | 116.4 Ų | 116.4 | 58% | 0.581 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -63 | -42.8 | 176.4 | -177.6 | 64.3 | 0 | 0 | 0 | 111.4 | M1 L2 V7 I8 V9 | M1-L5 PolarHBondContact O-N 3.39Å; L2-L5 PolarHBondContact O-N 3.22Å; L5-V7 PolarHBondContact O-N 3.27Å; L5-I8 PolarHBondContact O-N 2.03Å; L5-V9 WeakPolarHBondContact O-CG2 3.26Å; L5-V9 PolarHBondContact O-N 3.36Å |
| 6 | F | 96.2 | Very high | 94 | Very high | 122 Ų | 122 | 112.8 Ų | 112.8 | 54% | 0.535 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -61.3 | -43.6 | 177.7 | -179.6 | -104.4 | 0 | 0 | 0 | 112.6 | L2 L3 K4 V9 L10 | L2-F6 PolarHBondContact O-N 2.98Å; L3-F6 PolarHBondContact O-N 3.38Å; K4-F6 VanDerWaalsContact C-N 3.35Å; F6-V9 PolarHBondContact O-N 3.05Å; F6-L10 HydrophobicContact CD1-CD1 3.84Å; F6-L10 HydrophobicContact CD1-CG 4.45Å; F6-L10 HydrophobicContact CE1-CD1 3.3Å; F6-L10 HydrophobicContact CE1-CG 4.07Å; F6-L10 HydrophobicContact CE2-CG 4.47Å; F6-L10 HydrophobicContact CZ-CD1 3.69Å; F6-L10 HydrophobicContact CZ-CD2 4.35Å; F6-L10 HydrophobicContact CZ-CG 4.08Å; F6-L10 WeakPolarHBondContact O-CG 3.22Å; F6-L10 PolarHBondContact O-N 2.95Å |
| 7 | V | 96.2 | Very high | 93.7 | Very high | 63 Ų | 63 | 111.9 Ų | 111.9 | 38% | 0.382 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -62 | -45 | 176.2 | 173 | 0 | 0 | 0 | 0 | 111.3 | L3 K4 L5 V9 L10 E11 | L3-V7 WeakPolarHBondContact O-CG2 3.16Å; L3-V7 PolarHBondContact O-N 2.77Å; K4-V7 PolarHBondContact O-N 3.03Å; L5-V7 PolarHBondContact O-N 3.27Å; V7-V9 VanDerWaalsContact C-N 3.35Å; V7-V9 PolarHBondContact O-N 2.94Å; V7-L10 WeakPolarHBondContact O-CB 2.99Å; V7-L10 PolarHBondContact O-N 2.91Å; V7-E11 WeakPolarHBondContact O-CG 3.48Å; V7-E11 PolarHBondContact O-N 2.91Å |
| 8 | I | 96.5 | Very high | 93.2 | Very high | 81 Ų | 81 | 111.8 Ų | 111.8 | 42% | 0.415 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -60.2 | -44.9 | 177.3 | -69 | 166.6 | 0 | 0 | 0 | 110.9 | K4 L5 L10 E11 Y12 | K4-I8 WeakPolarHBondContact O-CG1 3.5Å; K4-I8 PolarHBondContact O-N 2.92Å; K4-I8 VanDerWaalsContact O-N 3.12Å; L5-I8 PolarHBondContact O-N 2.03Å; I8-L10 VanDerWaalsContact C-N 3.33Å; I8-L10 PolarHBondContact O-N 3.27Å; I8-E11 PolarHBondContact O-N 3.25Å; I8-Y12 HydrophobicContact CG2-CD2 3.67Å; I8-Y12 HydrophobicContact CG2-CE2 3.48Å; I8-Y12 VanDerWaalsContact CG2-CE2 3.48Å; I8-Y12 WeakPolarHBondContact O-CD2 3.48Å; I8-Y12 PolarHBondContact O-N 3.29Å |
| 9 | V | 97.1 | Very high | 92.6 | Very high | 74 Ų | 74 | 111.7 Ų | 111.7 | 45% | 0.448 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -61.9 | -41.9 | 176.9 | 173.5 | 0 | 0 | 0 | 0 | 111 | L5 F6 V7 E11 Y12 C13 | L5-V9 WeakPolarHBondContact O-CG2 3.26Å; L5-V9 PolarHBondContact O-N 3.36Å; F6-V9 PolarHBondContact O-N 3.05Å; V7-V9 VanDerWaalsContact C-N 3.35Å; V7-V9 PolarHBondContact O-N 2.94Å; V9-E11 VanDerWaalsContact C-N 3.35Å; V9-E11 PolarHBondContact O-N 3.23Å; V9-Y12 PolarHBondContact O-N 2.86Å; V9-C13 WeakPolarHBondContact O-CB 3.03Å; V9-C13 PolarHBondContact O-N 3.29Å; V9-C13 PolarHBondContact O-SG 2.6Å |
| 10 | L | 96.8 | Very high | 91.8 | Very high | 91 Ų | 91 | 112.8 Ų | 112.8 | 48% | 0.476 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -61.4 | -41.7 | 175.5 | -77.6 | 176.9 | 0 | 0 | 0 | 112.3 | F6 V7 I8 C13 F14 | F6-L10 HydrophobicContact CD1-CD1 3.84Å; F6-L10 HydrophobicContact CD1-CG 4.45Å; F6-L10 HydrophobicContact CE1-CD1 3.3Å; F6-L10 HydrophobicContact CE1-CG 4.07Å; F6-L10 HydrophobicContact CE2-CG 4.47Å; F6-L10 HydrophobicContact CZ-CD1 3.69Å; F6-L10 HydrophobicContact CZ-CD2 4.35Å; F6-L10 HydrophobicContact CZ-CG 4.08Å; F6-L10 WeakPolarHBondContact O-CG 3.22Å; F6-L10 PolarHBondContact O-N 2.95Å; V7-L10 WeakPolarHBondContact O-CB 2.99Å; V7-L10 PolarHBondContact O-N 2.91Å; I8-L10 VanDerWaalsContact C-N 3.33Å; I8-L10 PolarHBondContact O-N 3.27Å; L10-C13 PolarHBondContact O-N 2.77Å; L10-F14 VanDerWaalsContact O-CB 3.31Å; L10-F14 WeakPolarHBondContact O-CB 3.31Å; L10-F14 PolarHBondContact O-N 2.87Å |
| 11 | E | 96.3 | Very high | 91 | Very high | 130 Ų | 130 | 116 Ų | 116 | 61% | 0.607 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -62.4 | -42.7 | 175.6 | -72.8 | 174.2 | 178.7 | 0 | 0 | 111.7 | V7 I8 V9 F14 G15 | V7-E11 WeakPolarHBondContact O-CG 3.48Å; V7-E11 PolarHBondContact O-N 2.91Å; I8-E11 PolarHBondContact O-N 3.25Å; V9-E11 VanDerWaalsContact C-N 3.35Å; V9-E11 PolarHBondContact O-N 3.23Å; E11-F14 PolarHBondContact O-N 3.42Å; E11-G15 PolarHBondContact O-N 2.64Å |
| 12 | Y | 96.3 | Very high | 90.5 | Very high | 178 Ų | 178 | 109.4 Ų | 109.4 | 70% | 0.698 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -64.6 | -42.6 | 173.5 | -81.1 | -68.4 | 0 | 0 | 0 | 112.4 | I8 V9 F14 G15 A16 | I8-Y12 HydrophobicContact CG2-CD2 3.67Å; I8-Y12 HydrophobicContact CG2-CE2 3.48Å; I8-Y12 VanDerWaalsContact CG2-CE2 3.48Å; I8-Y12 WeakPolarHBondContact O-CD2 3.48Å; I8-Y12 PolarHBondContact O-N 3.29Å; V9-Y12 PolarHBondContact O-N 2.86Å; Y12-F14 VanDerWaalsContact C-N 3.33Å; Y12-F14 PolarHBondContact O-N 3.36Å; Y12-G15 PolarHBondContact O-N 3.3Å; Y12-A16 VanDerWaalsContact O-CB 3.23Å; Y12-A16 WeakPolarHBondContact O-CB 3.45Å; Y12-A16 PolarHBondContact O-N 2.62Å |
| 13 | C | 96.2 | Very high | 89.6 | Confident | 76 Ų | 76 | 109 Ų | 109 | 51% | 0.514 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.7 | -40.3 | 175.6 | -71.8 | 0 | 0 | 0 | 0 | 111.7 | V9 L10 F17 | V9-C13 WeakPolarHBondContact O-CB 3.03Å; V9-C13 PolarHBondContact O-N 3.29Å; V9-C13 PolarHBondContact O-SG 2.6Å; L10-C13 PolarHBondContact O-N 2.77Å; C13-F17 VanDerWaalsContact O-CB 3.28Å; C13-F17 WeakPolarHBondContact O-CB 3.3Å; C13-F17 PolarHBondContact O-N 3.01Å |
| 14 | F | 93.6 | Very high | 88.4 | Confident | 132 Ų | 132 | 105 Ų | 105 | 58% | 0.579 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -68.1 | -47.6 | 177 | -160.9 | -105 | 0 | 0 | 0 | 110.6 | L10 E11 Y12 A16 F17 F18 | L10-F14 VanDerWaalsContact O-CB 3.31Å; L10-F14 WeakPolarHBondContact O-CB 3.31Å; L10-F14 PolarHBondContact O-N 2.87Å; E11-F14 PolarHBondContact O-N 3.42Å; Y12-F14 VanDerWaalsContact C-N 3.33Å; Y12-F14 PolarHBondContact O-N 3.36Å; F14-A16 PolarHBondContact O-N 3.3Å; F14-F17 WeakPolarHBondContact O-CB 3.18Å; F14-F17 PolarHBondContact O-N 2.7Å; F14-F17 VanDerWaalsContact O-N 3.1Å; F14-F18 AromaticContact CD1-CD2 3.62Å; F14-F18 HydrophobicContact CD1-CD2 3.62Å; F14-F18 AromaticContact CD1-CE2 3.47Å; F14-F18 HydrophobicContact CD1-CE2 3.47Å; F14-F18 VanDerWaalsContact CD1-CE2 3.47Å; F14-F18 AromaticContact CD2-CE2 3.97Å; F14-F18 HydrophobicContact CD2-CE2 3.97Å; F14-F18 AromaticContact CE1-CD2 3.66Å; F14-F18 HydrophobicContact CE1-CD2 3.66Å; F14-F18 AromaticContact CE1-CE2 3.07Å; F14-F18 HydrophobicContact CE1-CE2 3.07Å; F14-F18 AromaticContact CE1-CZ 3.9Å; F14-F18 HydrophobicContact CE1-CZ 3.9Å; F14-F18 AromaticContact CE2-CE2 3.61Å; F14-F18 HydrophobicContact CE2-CE2 3.61Å; F14-F18 HydrophobicContact CE2-CZ 4.37Å; F14-F18 HydrophobicContact CG-CD2 4.11Å; F14-F18 AromaticContact CG-CE2 3.93Å; F14-F18 HydrophobicContact CG-CE2 3.93Å; F14-F18 HydrophobicContact CZ-CD2 4.17Å; F14-F18 AromaticContact CZ-CE2 3.18Å; F14-F18 HydrophobicContact CZ-CE2 3.18Å; F14-F18 AromaticContact CZ-CZ 3.77Å; F14-F18 HydrophobicContact CZ-CZ 3.77Å; F14-F18 VanDerWaalsContact O-CD2 3.28Å; F14-F18 WeakPolarHBondContact O-CD2 3.42Å; F14-F18 PolarHBondContact O-N 2.7Å |
| 15 | G | 92.2 | Very high | 87.1 | Confident | 41 Ų | 41 | 102.5 Ų | 102.5 | 42% | 0.423 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -56.5 | -46.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | E11 Y12 F17 F18 F19 | E11-G15 PolarHBondContact O-N 2.64Å; Y12-G15 PolarHBondContact O-N 3.3Å; G15-F17 VanDerWaalsContact C-N 3.34Å; G15-F17 PolarHBondContact O-N 2.72Å; G15-F18 PolarHBondContact O-N 3.41Å; G15-F19 VanDerWaalsContact O-CB 3.24Å; G15-F19 WeakPolarHBondContact O-CB 3.44Å; G15-F19 PolarHBondContact O-N 3Å |
| 16 | A | 89.5 | Confident | 85.9 | Confident | 58 Ų | 58 | 100.7 Ų | 100.7 | 48% | 0.479 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.4 | -39 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y12 F14 F19 Y20 | Y12-A16 VanDerWaalsContact O-CB 3.23Å; Y12-A16 WeakPolarHBondContact O-CB 3.45Å; Y12-A16 PolarHBondContact O-N 2.62Å; F14-A16 PolarHBondContact O-N 3.3Å; A16-F19 PolarHBondContact O-N 2.99Å; A16-Y20 VanDerWaalsContact O-CB 3.31Å; A16-Y20 WeakPolarHBondContact O-CB 3.24Å; A16-Y20 PolarHBondContact O-N 3.02Å |
| 17 | F | 88.1 | Confident | 84.7 | Confident | 98 Ų | 98 | 96.7 Ų | 96.7 | 43% | 0.43 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.1 | -47.1 | 176 | 174.4 | -94.5 | 0 | 0 | 0 | 112.2 | C13 F14 G15 Y20 R21 | C13-F17 VanDerWaalsContact O-CB 3.28Å; C13-F17 WeakPolarHBondContact O-CB 3.3Å; C13-F17 PolarHBondContact O-N 3.01Å; F14-F17 WeakPolarHBondContact O-CB 3.18Å; F14-F17 PolarHBondContact O-N 2.7Å; F14-F17 VanDerWaalsContact O-N 3.1Å; G15-F17 VanDerWaalsContact C-N 3.34Å; G15-F17 PolarHBondContact O-N 2.72Å; F17-Y20 PolarHBondContact O-N 3.3Å; F17-R21 HydrophobicContact CD2-CG 4.49Å; F17-R21 HydrophobicContact CE1-CG 4.14Å; F17-R21 HydrophobicContact CE2-CG 4.11Å; F17-R21 HydrophobicContact CZ-CG 3.92Å; F17-R21 WeakPolarHBondContact O-CB 3.37Å; F17-R21 WeakPolarHBondContact O-CG 2.88Å; F17-R21 PolarHBondContact O-N 3.3Å |
| 18 | F | 85 | Confident | 83.7 | Confident | 111 Ų | 111 | 101.5 Ų | 101.5 | 49% | 0.487 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.5 | -40 | 176.2 | -82.5 | -80.7 | 0 | 0 | 0 | 112.1 | F14 G15 R21 G22 | F14-F18 AromaticContact CD1-CD2 3.62Å; F14-F18 HydrophobicContact CD1-CD2 3.62Å; F14-F18 AromaticContact CD1-CE2 3.47Å; F14-F18 HydrophobicContact CD1-CE2 3.47Å; F14-F18 VanDerWaalsContact CD1-CE2 3.47Å; F14-F18 AromaticContact CD2-CE2 3.97Å; F14-F18 HydrophobicContact CD2-CE2 3.97Å; F14-F18 AromaticContact CE1-CD2 3.66Å; F14-F18 HydrophobicContact CE1-CD2 3.66Å; F14-F18 AromaticContact CE1-CE2 3.07Å; F14-F18 HydrophobicContact CE1-CE2 3.07Å; F14-F18 AromaticContact CE1-CZ 3.9Å; F14-F18 HydrophobicContact CE1-CZ 3.9Å; F14-F18 AromaticContact CE2-CE2 3.61Å; F14-F18 HydrophobicContact CE2-CE2 3.61Å; F14-F18 HydrophobicContact CE2-CZ 4.37Å; F14-F18 HydrophobicContact CG-CD2 4.11Å; F14-F18 AromaticContact CG-CE2 3.93Å; F14-F18 HydrophobicContact CG-CE2 3.93Å; F14-F18 HydrophobicContact CZ-CD2 4.17Å; F14-F18 AromaticContact CZ-CE2 3.18Å; F14-F18 HydrophobicContact CZ-CE2 3.18Å; F14-F18 AromaticContact CZ-CZ 3.77Å; F14-F18 HydrophobicContact CZ-CZ 3.77Å; F14-F18 VanDerWaalsContact O-CD2 3.28Å; F14-F18 WeakPolarHBondContact O-CD2 3.42Å; F14-F18 PolarHBondContact O-N 2.7Å; G15-F18 PolarHBondContact O-N 3.41Å; F18-R21 PolarHBondContact O-N 3.34Å; F18-G22 PolarHBondContact O-N 2.99Å |
| 19 | F | 82.5 | Confident | 82.6 | Confident | 109 Ų | 109 | 98.9 Ų | 98.9 | 48% | 0.478 | 50% | 0.498 | S | S | . | . | I | π-helix | trans | -58.2 | -50.2 | 175 | -176.3 | -93 | 0 | 0 | 0 | 110.9 | G15 A16 R21 F23 | G15-F19 VanDerWaalsContact O-CB 3.24Å; G15-F19 WeakPolarHBondContact O-CB 3.44Å; G15-F19 PolarHBondContact O-N 3Å; A16-F19 PolarHBondContact O-N 2.99Å; F19-R21 VanDerWaalsContact C-N 3.33Å; F19-R21 PolarHBondContact O-N 3.19Å; F19-F23 HydrophobicContact CD2-CB 3.6Å; F19-F23 AromaticContact CD2-CD1 3.99Å; F19-F23 HydrophobicContact CD2-CD1 3.99Å; F19-F23 HydrophobicContact CD2-CD2 4.12Å; F19-F23 AromaticContact CD2-CG 3.63Å; F19-F23 HydrophobicContact CD2-CG 3.63Å; F19-F23 HydrophobicContact CE1-CD1 4.44Å; F19-F23 HydrophobicContact CE2-CB 3.77Å; F19-F23 AromaticContact CE2-CD1 3.22Å; F19-F23 HydrophobicContact CE2-CD1 3.22Å; F19-F23 AromaticContact CE2-CD2 3.92Å; F19-F23 HydrophobicContact CE2-CD2 3.92Å; F19-F23 AromaticContact CE2-CE1 3.7Å; F19-F23 HydrophobicContact CE2-CE1 3.7Å; F19-F23 HydrophobicContact CE2-CE2 4.33Å; F19-F23 AromaticContact CE2-CG 3.34Å; F19-F23 HydrophobicContact CE2-CG 3.34Å; F19-F23 HydrophobicContact CE2-CZ 4.24Å; F19-F23 HydrophobicContact CG-CB 4.06Å; F19-F23 HydrophobicContact CZ-CB 4.35Å; F19-F23 AromaticContact CZ-CD1 3.49Å; F19-F23 HydrophobicContact CZ-CD1 3.49Å; F19-F23 VanDerWaalsContact CZ-CD1 3.49Å; F19-F23 AromaticContact CZ-CE1 3.99Å; F19-F23 HydrophobicContact CZ-CE1 3.99Å; F19-F23 HydrophobicContact CZ-CG 4.03Å; F19-F23 WeakPolarHBondContact O-CB 3.34Å; F19-F23 PolarHBondContact O-N 2.92Å |
| 20 | Y | 75.4 | Confident | 81.7 | Confident | 133 Ų | 133 | 101.1 Ų | 101.1 | 52% | 0.522 | 51% | 0.506 | S | S | . | . | I | π-helix | trans | -63.1 | -35.9 | 177.6 | -177.7 | -98.6 | 0 | 0 | 0 | 113.2 | A16 F17 | A16-Y20 VanDerWaalsContact O-CB 3.31Å; A16-Y20 WeakPolarHBondContact O-CB 3.24Å; A16-Y20 PolarHBondContact O-N 3.02Å; F17-Y20 PolarHBondContact O-N 3.3Å |
| 21 | R | 75.8 | Confident | 81 | Confident | 180 Ų | 180 | 101.7 Ų | 101.7 | 68% | 0.679 | 51% | 0.506 | S | S | * | . | I | π-helix | trans | -80 | -28.7 | -177.7 | -81.8 | -98 | 177.5 | 149.7 | -4.1 | 114.7 | F17 F18 F19 | F17-R21 HydrophobicContact CD2-CG 4.49Å; F17-R21 HydrophobicContact CE1-CG 4.14Å; F17-R21 HydrophobicContact CE2-CG 4.11Å; F17-R21 HydrophobicContact CZ-CG 3.92Å; F17-R21 WeakPolarHBondContact O-CB 3.37Å; F17-R21 WeakPolarHBondContact O-CG 2.88Å; F17-R21 PolarHBondContact O-N 3.3Å; F18-R21 PolarHBondContact O-N 3.34Å; F19-R21 VanDerWaalsContact C-N 3.33Å; F19-R21 PolarHBondContact O-N 3.19Å |
| 22 | G | 71.7 | Confident | 80.5 | Confident | 65 Ų | 65 | 101.4 Ų | 101.4 | 67% | 0.67 | 51% | 0.509 | S | S | * | . | I | π-helix | trans | -135 | -20.3 | -166.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | F18 | F18-G22 PolarHBondContact O-N 2.99Å |
| 23 | F | 72.1 | Confident | 80 | Confident | 142 Ų | 142 | 96.1 Ų | 96.1 | 62% | 0.623 | 50% | 0.495 | S | S | * | . | I | π-helix | trans | -80.5 | -40.1 | -176.4 | -169.6 | -93.3 | 0 | 0 | 0 | 112.3 | F19 | F19-F23 HydrophobicContact CD2-CB 3.6Å; F19-F23 AromaticContact CD2-CD1 3.99Å; F19-F23 HydrophobicContact CD2-CD1 3.99Å; F19-F23 HydrophobicContact CD2-CD2 4.12Å; F19-F23 AromaticContact CD2-CG 3.63Å; F19-F23 HydrophobicContact CD2-CG 3.63Å; F19-F23 HydrophobicContact CE1-CD1 4.44Å; F19-F23 HydrophobicContact CE2-CB 3.77Å; F19-F23 AromaticContact CE2-CD1 3.22Å; F19-F23 HydrophobicContact CE2-CD1 3.22Å; F19-F23 AromaticContact CE2-CD2 3.92Å; F19-F23 HydrophobicContact CE2-CD2 3.92Å; F19-F23 AromaticContact CE2-CE1 3.7Å; F19-F23 HydrophobicContact CE2-CE1 3.7Å; F19-F23 HydrophobicContact CE2-CE2 4.33Å; F19-F23 AromaticContact CE2-CG 3.34Å; F19-F23 HydrophobicContact CE2-CG 3.34Å; F19-F23 HydrophobicContact CE2-CZ 4.24Å; F19-F23 HydrophobicContact CG-CB 4.06Å; F19-F23 HydrophobicContact CZ-CB 4.35Å; F19-F23 AromaticContact CZ-CD1 3.49Å; F19-F23 HydrophobicContact CZ-CD1 3.49Å; F19-F23 VanDerWaalsContact CZ-CD1 3.49Å; F19-F23 AromaticContact CZ-CE1 3.99Å; F19-F23 HydrophobicContact CZ-CE1 3.99Å; F19-F23 HydrophobicContact CZ-CG 4.03Å; F19-F23 WeakPolarHBondContact O-CB 3.34Å; F19-F23 PolarHBondContact O-N 2.92Å |
| 24 | L | 68.1 | Low | 79.4 | Confident | 45 Ų | 45 | 94.3 Ų | 94.3 | 24% | 0.236 | 48% | 0.483 | C | S | . | . | S | Bend | trans | -97.5 | 126.1 | 178.3 | -59.3 | 176.6 | 0 | 0 | 0 | 109.2 | T26 F129 V130 | L24-T26 PolarHBondContact O-N 3.37Å; L24-T26 VanDerWaalsContact O-N 3.16Å; L24-F129 HydrophobicContact CD2-CB 3.93Å; L24-F129 HydrophobicContact CD2-CD2 4.03Å; L24-F129 HydrophobicContact CD2-CG 4.08Å; L24-V130 HydrophobicContact CB-CG2 3.99Å; L24-V130 HydrophobicContact CD1-CG2 3.53Å; L24-V130 HydrophobicContact CG-CG2 4.36Å |
| 25 | L | 68.3 | Low | 78.9 | Confident | 113 Ų | 113 | 90.3 Ų | 90.3 | 59% | 0.592 | 47% | 0.471 | S | S | * | . | trans | -56.4 | 122.9 | 167.9 | -66.7 | 171.1 | 0 | 0 | 0 | 108 | T128 | L25-T128 HydrophobicContact CB-CG2 3.72Å; L25-T128 WeakPolarHBondContact O-CB 3.36Å | ||
| 26 | T | 69.7 | Low | 78.1 | Confident | 72 Ų | 72 | 90.2 Ų | 90.2 | 44% | 0.442 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 138.7 | 172 | 49.1 | 0 | 0 | 0 | 0 | 108.2 | L24 V130 V132 | L24-T26 PolarHBondContact O-N 3.37Å; L24-T26 VanDerWaalsContact O-N 3.16Å; T26-V130 WeakPolarHBondContact CA-O 3.13Å; T26-V130 HydrophobicContact CG2-CB 4.03Å; T26-V130 HydrophobicContact CG2-CG1 4.04Å; T26-V132 HydrophobicContact CG2-CG2 4.09Å |
| 27 | R | 72.2 | Confident | 77.3 | Confident | 38 Ų | 38 | 97.3 Ų | 97.3 | 14% | 0.143 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 151.3 | 173 | 72.7 | -176.2 | 175.5 | 105.9 | 7.2 | 110.8 | T29 S125 T128 D131 V132 E143 | R27-T29 HydrophobicContact CG-CG2 4.5Å; R27-S125 PolarHBondContact NH1-OG 2.95Å; R27-T128 HydrophobicContact CB-CG2 4.15Å; R27-T128 WeakPolarHBondContact CD-OG1 3.2Å; R27-T128 HydrophobicContact CG-CG2 4.11Å; R27-T128 WeakPolarHBondContact CG-OG1 3.5Å; R27-T128 PolarHBondContact NE-OG1 2.73Å; R27-D131 IonicContact CZ-OD1 3.39Å; R27-D131 IonicContact NE-OD1 3.54Å; R27-D131 PolarHBondContact NE-OD1 3.18Å; R27-D131 IonicContact NH2-OD1 2.61Å; R27-D131 PolarHBondContact NH2-OD1 2.87Å; R27-D131 IonicContact NH2-OD2 2.68Å; R27-D131 PolarHBondContact NH2-OD2 3.06Å; R27-V132 PolarHBondContact O-N 3.26Å; R27-E143 IonicContact CZ-OE1 3.77Å; R27-E143 IonicContact NH1-OE1 3.68Å; R27-E143 PolarHBondContact NH1-OE1 3.12Å; R27-E143 IonicContact NH2-OE1 3.94Å; R27-E143 PolarHBondContact NH2-OE1 3.24Å |
| 28 | H | 73.6 | Confident | 76.7 | Confident | 164 Ų | 164 | 97.8 Ų | 97.8 | 76% | 0.759 | 48% | 0.483 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 126.8 | 167 | -71.7 | -70.7 | 0 | 0 | 0 | 109.2 | ||
| 29 | T | 74.7 | Confident | 75.8 | Confident | 27 Ų | 27 | 94.7 Ų | 94.7 | 17% | 0.166 | 47% | 0.474 | C | S | . | . | P | Polyproline II helix | trans | -91 | 133.2 | 174.3 | 58.9 | 0 | 0 | 0 | 0 | 109.2 | R27 E143 | R27-T29 HydrophobicContact CG-CG2 4.5Å; T29-E143 HydrophobicContact CG2-CG 4.02Å; T29-E143 WeakPolarHBondContact CG2-OE1 3.3Å |
| 30 | L | 78.3 | Confident | 74.6 | Confident | 121 Ų | 121 | 98.4 Ų | 98.4 | 63% | 0.634 | 49% | 0.492 | S | S | * | . | P | Polyproline II helix | trans | -98.2 | 126.4 | 173.9 | -63.7 | 178.2 | 0 | 0 | 0 | 108.4 | L32 | L30-L32 HydrophobicContact CB-CG 4.37Å; L30-L32 HydrophobicContact CD1-CD1 4.44Å; L30-L32 PolarHBondContact O-N 3.28Å |
| 31 | Q | 82 | Confident | 73.7 | Confident | 102 Ų | 102 | 98.7 Ų | 98.7 | 48% | 0.477 | 50% | 0.503 | S | S | . | . | trans | -83.5 | 48 | 173.2 | -61.5 | -179.3 | -12.7 | 0 | 0 | 110.5 | N134 E142 | Q31-N134 PolarHBondContact NE2-ND2 2.67Å; Q31-E142 HydrophobicContact CG-CB 4.18Å; Q31-E142 PolarHBondContact NE2-OE2 3.4Å | ||
| 32 | L | 84.3 | Confident | 72.6 | Confident | 125 Ų | 125 | 94.5 Ų | 94.5 | 65% | 0.654 | 49% | 0.491 | S | S | * | . | trans | -109.3 | 137.5 | 175.8 | -62.3 | 178.1 | 0 | 0 | 0 | 108.1 | L30 D144 | L30-L32 HydrophobicContact CB-CG 4.37Å; L30-L32 HydrophobicContact CD1-CD1 4.44Å; L30-L32 PolarHBondContact O-N 3.28Å; L32-D144 WeakPolarHBondContact O-CB 3.4Å | ||
| 33 | T | 85.8 | Confident | 71.9 | Confident | 67 Ų | 67 | 96.9 Ų | 96.9 | 41% | 0.411 | 49% | 0.492 | S | S | . | . | trans | -114.5 | 128.2 | 178.4 | -55.7 | 0 | 0 | 0 | 0 | 108.5 | I152 | T33-I152 HydrophobicContact CG2-CD1 3.76Š| ||
| 34 | S | 84.5 | Confident | 70.9 | Confident | 38 Ų | 38 | 94.4 Ų | 94.4 | 27% | 0.266 | 49% | 0.485 | S | S | . | . | trans | -64.7 | 144.1 | 179.7 | -46.1 | 0 | 0 | 0 | 0 | 110.6 | E38 D144 Q149 | S34-E38 WeakPolarHBondContact CA-OE1 3.14Å; S34-D144 WeakPolarHBondContact CB-OD2 3.17Å; S34-D144 PolarHBondContact N-OD2 2.92Å; S34-D144 PolarHBondContact OG-OD2 3.44Å; S34-Q149 PolarHBondContact O-NE2 3.45Å | ||
| 35 | S | 82.7 | Confident | 70 | Confident | 47 Ų | 47 | 96.2 Ų | 96.2 | 33% | 0.329 | 51% | 0.506 | S | S | . | . | trans | -114.9 | 154.9 | 177.3 | 69.3 | 0 | 0 | 0 | 0 | 112.2 | Y37 E38 W52 | S35-Y37 PolarHBondContact O-N 2.89Å; S35-E38 PolarHBondContact N-OE1 2.84Å; S35-E38 PolarHBondContact O-N 3.24Å; S35-E38 WeakPolarHBondContact OG-CG 3.32Å; S35-E38 PolarHBondContact OG-OE1 2.86Å; S35-W52 WeakPolarHBondContact O-CZ2 3.05Å; S35-W52 PolarHBondContact O-NE1 3.16Å | ||
| 36 | C | 75.5 | Confident | 69.2 | Low | 40 Ų | 40 | 97.9 Ų | 97.9 | 27% | 0.27 | 52% | 0.516 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -16.4 | 178.7 | -56.6 | 0 | 0 | 0 | 0 | 114.1 | C51 W52 | C36-C51 WeakPolarHBondContact CA-SG 3.47Å; C36-C51 HydrophobicContact CB-CB 4.05Å; C36-C51 WeakPolarHBondContact CB-SG 3.24Å; C36-C51 WeakPolarHBondContact SG-CA 3.48Å; C36-C51 WeakPolarHBondContact SG-CB 3.43Å; C36-C51 CovalentContact SG-SG 2.03Å; C36-C51 PolarHBondContact SG-SG 2.93Å; C36-W52 VanDerWaalsContact O-CD1 3.29Å; C36-W52 PolarHBondContact O-NE1 2.79Å |
| 37 | Y | 73.9 | Confident | 68.3 | Low | 206 Ų | 206 | 95.9 Ų | 95.9 | 81% | 0.808 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -8.9 | -177.8 | -55.5 | -74.7 | 0 | 0 | 0 | 114.1 | S35 V39 | S35-Y37 PolarHBondContact O-N 2.89Å; Y37-V39 VanDerWaalsContact C-N 3.25Å; Y37-V39 PolarHBondContact O-N 2.68Å |
| 38 | E | 74.3 | Confident | 67.4 | Low | 109 Ų | 109 | 100.6 Ų | 100.6 | 51% | 0.509 | 54% | 0.536 | S | S | . | . | S | Bend | trans | -67.3 | -27.1 | 179.6 | -83.4 | 162.3 | -130.2 | 0 | 0 | 113.2 | S34 S35 Q40 | S34-E38 WeakPolarHBondContact CA-OE1 3.14Å; S35-E38 PolarHBondContact N-OE1 2.84Å; S35-E38 PolarHBondContact O-N 3.24Å; S35-E38 WeakPolarHBondContact OG-CG 3.32Å; S35-E38 PolarHBondContact OG-OE1 2.86Å; E38-Q40 PolarHBondContact O-N 2.66Å |
| 39 | V | 67.1 | Low | 66.7 | Low | 46 Ų | 46 | 95.6 Ų | 95.6 | 28% | 0.279 | 52% | 0.52 | S | S | . | . | trans | -88 | 92.4 | 174.8 | 178.9 | 0 | 0 | 0 | 0 | 108.4 | Y37 N41 W52 | Y37-V39 VanDerWaalsContact C-N 3.25Å; Y37-V39 PolarHBondContact O-N 2.68Å; V39-N41 WeakPolarHBondContact CG1-O 3.45Å; V39-N41 PolarHBondContact O-N 2.76Å; V39-W52 HydrophobicContact CB-CG 4.04Å; V39-W52 HydrophobicContact CG2-CB 4.35Å; V39-W52 HydrophobicContact CG2-CD2 3.61Å; V39-W52 HydrophobicContact CG2-CE3 4.31Å; V39-W52 HydrophobicContact CG2-CG 3.62Å; V39-W52 HydrophobicContact CG2-CZ2 4.2Å | ||
| 40 | Q | 56.4 | Low | 66.1 | Low | 186 Ų | 186 | 96.7 Ų | 96.7 | 87% | 0.869 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -58.9 | -31.3 | -177.2 | -69.6 | -176.5 | -19.1 | 0 | 0 | 113.8 | E38 | E38-Q40 PolarHBondContact O-N 2.66Š|
| 41 | N | 56.7 | Low | 65.7 | Low | 139 Ų | 139 | 91.2 Ų | 91.2 | 74% | 0.743 | 51% | 0.508 | S | S | * | . | S | Bend | trans | -109 | 97.2 | 172 | -70 | -33.1 | 0 | 0 | 0 | 107.6 | V39 V43 | V39-N41 WeakPolarHBondContact CG1-O 3.45Å; V39-N41 PolarHBondContact O-N 2.76Å; N41-V43 PolarHBondContact O-N 3.01Å |
| 42 | H | 52.8 | Low | 65.3 | Low | 92 Ų | 92 | 89.4 Ų | 89.4 | 43% | 0.426 | 50% | 0.497 | S | S | . | . | trans | -46.2 | 125.2 | 162.8 | -67.7 | -72.6 | 0 | 0 | 0 | 107.5 | I44 | H42-I44 VanDerWaalsContact CB-O 3.26Å; H42-I44 WeakPolarHBondContact CB-O 3.15Å; H42-I44 PolarHBondContact O-N 2.8Å | ||
| 43 | V | 55.9 | Low | 64.5 | Low | 116 Ų | 116 | 85.3 Ų | 85.3 | 70% | 0.703 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -56.1 | -21.6 | 179.4 | 179.3 | 0 | 0 | 0 | 0 | 110.2 | N41 V53 | N41-V43 PolarHBondContact O-N 3.01Å; V43-V53 HydrophobicContact CB-CG1 4.41Å |
| 44 | I | 51.7 | Low | 63.7 | Low | 90 Ų | 90 | 84.1 Ų | 84.1 | 46% | 0.462 | 47% | 0.471 | S | S | . | . | S | Bend | trans | -135.9 | 121.8 | 175.1 | -54.4 | 178.4 | 0 | 0 | 0 | 108.6 | H42 P54 | H42-I44 VanDerWaalsContact CB-O 3.26Å; H42-I44 WeakPolarHBondContact CB-O 3.15Å; H42-I44 PolarHBondContact O-N 2.8Å; I44-P54 HydrophobicContact CD1-CG 3.94Å |
| 45 | A | 49.3 | Very low | 63.3 | Low | 83 Ų | 83 | 84.8 Ų | 84.8 | 69% | 0.686 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -61.6 | 138.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 46 | N | 50.7 | Low | 62.9 | Low | 148 Ų | 148 | 84 Ų | 84 | 79% | 0.791 | 47% | 0.473 | S | S | * | . | trans | 70.4 | 54.2 | -176.5 | -61.2 | -21.9 | 0 | 0 | 0 | 116.2 | T48 | N46-T48 VanDerWaalsContact C-N 3.33Å; N46-T48 PolarHBondContact O-N 3.43Å | ||
| 47 | V | 51.7 | Low | 63.2 | Low | 30 Ų | 30 | 83.1 Ų | 83.1 | 18% | 0.182 | 46% | 0.464 | C | S | . | . | trans | -68.1 | 93.1 | 162.3 | -177.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 48 | T | 53.3 | Low | 63.6 | Low | 137 Ų | 137 | 81.7 Ų | 81.7 | 84% | 0.84 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -73.7 | -19.1 | 175.1 | 53.2 | 0 | 0 | 0 | 0 | 112.5 | N46 | N46-T48 VanDerWaalsContact C-N 3.33Å; N46-T48 PolarHBondContact O-N 3.43Å |
| 49 | S | 58.2 | Low | 64.3 | Low | 59 Ų | 59 | 77.6 Ų | 77.6 | 41% | 0.413 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -149.7 | 105.6 | -178.8 | 55.4 | 0 | 0 | 0 | 0 | 110 | P54 A55 | S49-P54 WeakPolarHBondContact O-CA 3.43Å; S49-A55 PolarHBondContact O-N 3.28Å |
| 50 | G | 63.3 | Low | 65.4 | Low | 49 Ų | 49 | 75.9 Ų | 75.9 | 51% | 0.505 | 43% | 0.427 | S | S | . | . | B | Isolated β-bridge | trans | 139.2 | 176.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 51 | C | 70.5 | Confident | 67.1 | Low | 7 Ų | 7 | 67 Ų | 67 | 5% | 0.047 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -97.6 | -74.3 | -177.7 | -172.2 | 0 | 0 | 0 | 0 | 110.8 | C36 | C36-C51 WeakPolarHBondContact CA-SG 3.47Å; C36-C51 HydrophobicContact CB-CB 4.05Å; C36-C51 WeakPolarHBondContact CB-SG 3.24Å; C36-C51 WeakPolarHBondContact SG-CA 3.48Å; C36-C51 WeakPolarHBondContact SG-CB 3.43Å; C36-C51 CovalentContact SG-SG 2.03Å; C36-C51 PolarHBondContact SG-SG 2.93Å |
| 52 | W | 72 | Confident | 68.9 | Low | 63 Ų | 63 | 60.8 Ų | 60.8 | 24% | 0.239 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -100.4 | -25.9 | 176.1 | -60.6 | -30.9 | 0 | 0 | 0 | 113.8 | S35 C36 V39 | S35-W52 WeakPolarHBondContact O-CZ2 3.05Å; S35-W52 PolarHBondContact O-NE1 3.16Å; C36-W52 VanDerWaalsContact O-CD1 3.29Å; C36-W52 PolarHBondContact O-NE1 2.79Å; V39-W52 HydrophobicContact CB-CG 4.04Å; V39-W52 HydrophobicContact CG2-CB 4.35Å; V39-W52 HydrophobicContact CG2-CD2 3.61Å; V39-W52 HydrophobicContact CG2-CE3 4.31Å; V39-W52 HydrophobicContact CG2-CG 3.62Å; V39-W52 HydrophobicContact CG2-CZ2 4.2Å |
| 53 | V | 69.1 | Low | 71 | Confident | 39 Ų | 39 | 56.5 Ų | 56.5 | 24% | 0.236 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -138.8 | 150.9 | -178.5 | -68.3 | 0 | 0 | 0 | 0 | 109.6 | V43 Y321 | V43-V53 HydrophobicContact CB-CG1 4.41Å; V53-Y321 WeakPolarHBondContact CG2-O 3.35Å |
| 54 | P | 69 | Low | 73 | Confident | 43 Ų | 43 | 51.1 Ų | 51.1 | 28% | 0.279 | 30% | 0.3 | S | S | . | . | B | Isolated β-bridge | trans | -63.5 | 155.4 | -179.3 | 25.5 | -33.8 | 0 | 0 | 0 | 112.5 | I44 S49 T324 | I44-P54 HydrophobicContact CD1-CG 3.94Å; S49-P54 WeakPolarHBondContact O-CA 3.43Å; P54-T324 CarbonylContact C-O 3.53Å; P54-T324 CarbonylContact O-C 3.59Å; P54-T324 WeakPolarHBondContact O-CB 3.47Å; P54-T324 PolarHBondContact O-OG1 2.92Å |
| 55 | A | 74.3 | Confident | 75.2 | Confident | 51 Ų | 51 | 46.8 Ų | 46.8 | 42% | 0.421 | 28% | 0.278 | S | S | . | . | trans | -70.5 | 149.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | S49 T324 | S49-A55 PolarHBondContact O-N 3.28Å; A55-T324 VanDerWaalsContact C-CA 3.49Å; A55-T324 CarbonylContact C-O 3.58Å; A55-T324 VanDerWaalsContact C-O 3.25Å; A55-T324 HydrophobicContact CB-CG2 4.08Å | ||
| 56 | S | 74.9 | Confident | 77.5 | Confident | 32 Ų | 32 | 43 Ų | 43 | 22% | 0.224 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -147.9 | -31 | 175.5 | 80.1 | 0 | 0 | 0 | 0 | 114.4 | S323 T324 V325 | S56-S323 PolarHBondContact OG-O 2.98Å; S56-T324 VanDerWaalsContact CB-O 3.24Å; S56-T324 WeakPolarHBondContact CB-O 3.34Å; S56-T324 PolarHBondContact N-O 3.14Å; S56-T324 WeakPolarHBondContact OG-CA 3.25Å; S56-T324 PolarHBondContact OG-N 3.39Å; S56-V325 WeakPolarHBondContact CB-O 3.48Å; S56-V325 WeakPolarHBondContact OG-CA 3.43Å; S56-V325 PolarHBondContact OG-N 3.25Å; S56-V325 PolarHBondContact OG-O 3.28Å |
| 57 | Y | 81.3 | Confident | 79.8 | Confident | 20 Ų | 20 | 35.9 Ų | 35.9 | 8% | 0.078 | 21% | 0.208 | C | C | . | . | trans | -109.4 | 132.1 | 157.1 | -52.1 | -61.2 | 0 | 0 | 0 | 106.5 | R59 P260 D261 V263 S294 L298 S323 | Y57-R59 VanDerWaalsContact C-N 3.27Å; Y57-P260 WeakPolarHBondContact CD1-O 3.49Å; Y57-D261 CarbonylContact C-O 3.53Å; Y57-D261 WeakPolarHBondContact CB-O 3.43Å; Y57-V263 HydrophobicContact CD1-CB 4.48Å; Y57-V263 HydrophobicContact CD2-CB 3.47Å; Y57-V263 VanDerWaalsContact CD2-CB 3.47Å; Y57-V263 HydrophobicContact CD2-CG1 3.45Å; Y57-V263 VanDerWaalsContact CD2-CG1 3.45Å; Y57-V263 HydrophobicContact CD2-CG2 4.34Å; Y57-V263 HydrophobicContact CE2-CB 3.71Å; Y57-V263 HydrophobicContact CE2-CG1 4.09Å; Y57-V263 HydrophobicContact CE2-CG2 4.14Å; Y57-V263 HydrophobicContact CG-CB 3.95Å; Y57-V263 HydrophobicContact CG-CG1 3.99Å; Y57-S294 VanDerWaalsContact CE1-OG 3.27Å; Y57-S294 WeakPolarHBondContact CE1-OG 3.43Å; Y57-L298 HydrophobicContact CE2-CD2 4.4Å; Y57-L298 WeakPolarHBondContact OH-CD2 3.43Å; Y57-S323 VanDerWaalsContact CA-O 3.24Å; Y57-S323 WeakPolarHBondContact CA-O 3.46Å; Y57-S323 WeakPolarHBondContact CB-O 3.46Å; Y57-S323 VanDerWaalsContact CD2-C 3.44Å; Y57-S323 WeakPolarHBondContact CD2-O 3.4Å; Y57-S323 PolarHBondContact N-O 3.45Å | ||
| 58 | R | 82.7 | Confident | 82 | Confident | 177 Ų | 177 | 34.5 Ų | 34.5 | 67% | 0.668 | 20% | 0.199 | S | C | * | . | S | Bend | trans | -75.5 | -26.1 | 174.8 | -169.6 | 178.6 | 176.6 | 162.6 | 2.4 | 110.9 | D261 | R58-D261 HydrophobicContact CB-CB 4.04Å; R58-D261 PolarHBondContact N-O 3.1Å |
| 59 | R | 88.6 | Confident | 84.1 | Confident | 22 Ų | 22 | 28.6 Ų | 28.6 | 8% | 0.083 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 147.9 | -172.9 | -68.4 | -169.5 | -64.4 | 173.6 | -4.3 | 112.3 | Y57 S204 W207 D208 R252 D261 T262 V263 | Y57-R59 VanDerWaalsContact C-N 3.27Å; R59-S204 PolarHBondContact NH1-O 3.39Å; R59-W207 HydrophobicContact CB-CE3 4.28Å; R59-W207 HydrophobicContact CB-CH2 3.99Å; R59-W207 HydrophobicContact CB-CZ3 3.61Å; R59-W207 WeakPolarHBondContact CD-O 3.32Å; R59-W207 HydrophobicContact CG-CE3 4.33Å; R59-W207 HydrophobicContact CG-CZ3 4.11Å; R59-D208 CarbonylContact C-O 3.57Å; R59-D208 WeakPolarHBondContact CA-O 3.22Å; R59-R252 VanDerWaalsContact NH2-NH1 3.19Å; R59-D261 PolarHBondContact N-O 2.95Å; R59-T262 HydrophobicContact CB-CG2 4.27Å; R59-T262 PolarHBondContact NE-OG1 2.92Å; R59-T262 PolarHBondContact NH2-OG1 2.63Å; R59-T262 VanDerWaalsContact O-CA 3.32Å; R59-T262 WeakPolarHBondContact O-CA 3.31Å; R59-V263 PolarHBondContact O-N 2.92Å |
| 60 | S | 90.2 | Very high | 85.8 | Confident | 10 Ų | 10 | 28.7 Ų | 28.7 | 7% | 0.07 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 139.4 | 176.2 | -65.5 | 0 | 0 | 0 | 0 | 111 | W207 D208 L209 L210 V263 | S60-W207 WeakPolarHBondContact O-CZ3 3.08Å; S60-D208 PolarHBondContact N-O 3.42Å; S60-L209 WeakPolarHBondContact O-CA 3.28Å; S60-L210 PolarHBondContact O-N 3.1Å; S60-V263 WeakPolarHBondContact CA-O 3.45Å; S60-V263 WeakPolarHBondContact OG-CG1 3.32Å |
| 61 | I | 93.3 | Very high | 87.4 | Confident | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 118 | 171.6 | -55.9 | 169.9 | 0 | 0 | 0 | 107.3 | V63 I202 W207 L210 M249 T262 V263 L264 F265 | I61-V63 HydrophobicContact CG2-CG2 4.01Å; I61-I202 HydrophobicContact CD1-CD1 4.41Å; I61-I202 HydrophobicContact CD1-CG1 4.1Å; I61-I202 HydrophobicContact CD1-CG2 4.41Å; I61-W207 HydrophobicContact CD1-CH2 3.99Å; I61-W207 HydrophobicContact CG1-CH2 3.56Å; I61-W207 HydrophobicContact CG1-CZ2 4.45Å; I61-W207 HydrophobicContact CG1-CZ3 3.99Å; I61-L210 CarbonylContact C-O 3.4Å; I61-L210 WeakPolarHBondContact CA-O 3.25Å; I61-L210 HydrophobicContact CG1-CB 4.31Å; I61-L210 HydrophobicContact CG1-CD2 4.42Å; I61-L210 HydrophobicContact CG2-CD2 4.31Å; I61-M249 HydrophobicContact CD1-SD 4.47Å; I61-T262 HydrophobicContact CD1-CG2 3.94Å; I61-T262 HydrophobicContact CG1-CG2 4.02Å; I61-V263 PolarHBondContact N-O 2.9Å; I61-L264 HydrophobicContact CB-CD1 4Å; I61-L264 HydrophobicContact CG2-CD1 3.77Å; I61-L264 WeakPolarHBondContact O-CA 3.44Å; I61-F265 PolarHBondContact O-N 3.47Å |
| 62 | L | 94.4 | Very high | 88.7 | Confident | 8 Ų | 8 | 27.4 Ų | 27.4 | 4% | 0.042 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 114.1 | 173.3 | -58.6 | -177.9 | 0 | 0 | 0 | 108.7 | L209 L210 I211 A212 F265 F267 I320 | L62-L209 HydrophobicContact CD1-CD1 3.84Å; L62-L209 HydrophobicContact CG-CD1 3.79Å; L62-L210 PolarHBondContact N-O 3.41Å; L62-I211 HydrophobicContact CB-CG1 4.42Å; L62-I211 HydrophobicContact CD1-CG1 4.5Å; L62-I211 CarbonylContact O-C 3.57Å; L62-I211 VanDerWaalsContact O-CA 3.32Å; L62-I211 WeakPolarHBondContact O-CA 3.34Å; L62-A212 PolarHBondContact O-N 3.46Å; L62-F265 HydrophobicContact CD2-CB 3.89Å; L62-F265 HydrophobicContact CD2-CD2 3.62Å; L62-F265 HydrophobicContact CD2-CG 4.13Å; L62-F267 HydrophobicContact CB-CE1 4.24Å; L62-F267 HydrophobicContact CD2-CE1 4.27Å; L62-I320 HydrophobicContact CD1-CD1 3.84Å; L62-I320 HydrophobicContact CD2-CD1 4.21Å |
| 63 | V | 96.8 | Very high | 89.8 | Confident | 2 Ų | 2 | 24.5 Ų | 24.5 | 1% | 0.012 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 109.8 | 171.4 | -175.6 | 0 | 0 | 0 | 0 | 108.3 | I61 V65 A212 F214 M241 L264 F265 V266 F267 | I61-V63 HydrophobicContact CG2-CG2 4.01Å; V63-V65 HydrophobicContact CG1-CG2 4.12Å; V63-A212 CarbonylContact C-O 3.58Å; V63-A212 VanDerWaalsContact CA-O 3.32Å; V63-A212 WeakPolarHBondContact CA-O 3.36Å; V63-A212 HydrophobicContact CG2-CB 4.4Å; V63-F214 HydrophobicContact CG1-CD2 3.69Å; V63-F214 HydrophobicContact CG1-CE2 3.61Å; V63-M241 HydrophobicContact CG1-CE 3.68Å; V63-M241 HydrophobicContact CG1-SD 4.49Å; V63-L264 HydrophobicContact CG2-CD1 3.76Å; V63-F265 PolarHBondContact N-O 3.39Å; V63-V266 HydrophobicContact CB-CB 4.49Å; V63-V266 HydrophobicContact CB-CG1 4.4Å; V63-V266 HydrophobicContact CB-CG2 4.17Å; V63-V266 HydrophobicContact CG1-CG1 4.4Å; V63-V266 CarbonylContact O-C 3.6Å; V63-V266 VanDerWaalsContact O-CA 3.27Å; V63-V266 WeakPolarHBondContact O-CA 3.33Å; V63-F267 PolarHBondContact O-N 2.9Å |
| 64 | V | 97.1 | Very high | 91 | Very high | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.012 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 125.4 | 171.6 | -172.2 | 0 | 0 | 0 | 0 | 107.2 | W165 A212 H213 F214 F267 D269 | V64-W165 HydrophobicContact CG2-CZ2 4.22Å; V64-A212 PolarHBondContact N-O 2.93Å; V64-H213 HydrophobicContact CB-CB 4.45Å; V64-H213 VanDerWaalsContact CB-CD2 3.43Å; V64-H213 WeakPolarHBondContact CB-CD2 3.1Å; V64-H213 WeakPolarHBondContact CG1-CD2 3.45Å; V64-H213 CarbonylContact O-C 3.6Å; V64-H213 WeakPolarHBondContact O-CA 3.36Å; V64-F214 PolarHBondContact O-N 3.19Å; V64-F267 WeakPolarHBondContact CA-O 3.4Å; V64-F267 HydrophobicContact CG2-CE1 4.09Å; V64-F267 HydrophobicContact CG2-CE2 3.85Å; V64-F267 HydrophobicContact CG2-CZ 3.53Å; V64-D269 HydrophobicContact CG1-CB 4.14Å |
| 65 | V | 98.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 106.3 | 171 | -179.2 | 0 | 0 | 0 | 0 | 106.1 | V63 A67 L68 F214 V217 M238 V266 F267 G268 | V63-V65 HydrophobicContact CG1-CG2 4.12Å; V65-A67 PolarHBondContact O-N 3.48Å; V65-L68 HydrophobicContact CB-CB 3.81Å; V65-L68 HydrophobicContact CB-CD2 3.79Å; V65-L68 HydrophobicContact CB-CG 4.33Å; V65-L68 HydrophobicContact CG1-CB 3.89Å; V65-L68 HydrophobicContact CG1-CD1 4.44Å; V65-L68 HydrophobicContact CG1-CD2 4.31Å; V65-L68 HydrophobicContact CG1-CG 4.44Å; V65-L68 HydrophobicContact CG2-CD2 4.15Å; V65-L68 WeakPolarHBondContact O-CB 3.28Å; V65-L68 PolarHBondContact O-N 2.83Å; V65-L68 VanDerWaalsContact O-N 3.12Å; V65-F214 HydrophobicContact CG2-CB 4.49Å; V65-V217 HydrophobicContact CG1-CB 4.03Å; V65-V217 HydrophobicContact CG1-CG2 3.67Å; V65-M238 HydrophobicContact CG1-CG 3.94Å; V65-M238 HydrophobicContact CG1-SD 4.13Å; V65-M238 HydrophobicContact CG2-CG 4.35Å; V65-M238 HydrophobicContact CG2-SD 3.97Å; V65-V266 HydrophobicContact CG2-CG1 4.1Å; V65-F267 PolarHBondContact N-O 3.1Å; V65-G268 WeakPolarHBondContact O-CA 3.5Å |
| 66 | D | 98 | Very high | 93.2 | Very high | 2 Ų | 2 | 27.5 Ų | 27.5 | 1% | 0.011 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | 131.7 | -176 | -159 | -36.2 | 0 | 0 | 0 | 110.7 | L68 T114 H213 F214 L215 V217 D218 D269 H270 | D66-L68 VanDerWaalsContact C-N 3.26Å; D66-L68 PolarHBondContact O-N 3.48Å; D66-T114 WeakPolarHBondContact OD2-CG2 3.41Å; D66-T114 PolarHBondContact OD2-OG1 3.46Å; D66-H213 IonicContact OD2-CE1 2.7Å; D66-H213 IonicContact OD2-NE2 3.01Å; D66-F214 WeakPolarHBondContact CB-O 3.26Å; D66-F214 PolarHBondContact N-O 2.78Å; D66-L215 HydrophobicContact CB-CD2 3.84Å; D66-L215 VanDerWaalsContact OD2-CD2 3.32Å; D66-L215 WeakPolarHBondContact OD2-CD2 3.46Å; D66-V217 WeakPolarHBondContact O-CB 3.3Å; D66-D218 HydrophobicContact CB-CB 3.71Å; D66-D218 PolarHBondContact O-N 3.25Å; D66-D218 VanDerWaalsContact OD1-CB 3.31Å; D66-D218 WeakPolarHBondContact OD1-CB 3.43Å; D66-D269 WeakPolarHBondContact CA-OD1 3.41Å; D66-H270 IonicContact OD1-CE1 3.53Å; D66-H270 PolarHBondContact OD1-CE1 2.92Å; D66-H270 VanDerWaalsContact OD1-CE1 3.28Å; D66-H270 IonicContact OD1-NE2 3.43Å; D66-H270 PolarHBondContact OD1-NE2 3.43Å |
| 67 | A | 98 | Very high | 94 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | 28.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | V65 R69 D218 D269 H270 M272 | V65-A67 PolarHBondContact O-N 3.48Å; A67-R69 PolarHBondContact O-N 3.38Å; A67-D218 HydrophobicContact CB-CB 3.65Å; A67-D218 VanDerWaalsContact CB-OD1 3.31Å; A67-D218 WeakPolarHBondContact CB-OD1 3.32Å; A67-D269 PolarHBondContact N-OD1 2.73Å; A67-D269 VanDerWaalsContact N-OD1 3.12Å; A67-H270 CarbonylContact C-O 3.51Å; A67-H270 VanDerWaalsContact CA-O 3.24Å; A67-H270 WeakPolarHBondContact CA-O 3.44Å; A67-M272 HydrophobicContact CB-CB 4.36Å; A67-M272 HydrophobicContact CB-CE 3.23Å |
| 68 | L | 98.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | -72.7 | 92.5 | 175.6 | 178.1 | 66.2 | 0 | 0 | 0 | 111.6 | V65 D66 F72 I73 F87 L235 V266 A288 A289 | V65-L68 HydrophobicContact CB-CB 3.81Å; V65-L68 HydrophobicContact CB-CD2 3.79Å; V65-L68 HydrophobicContact CB-CG 4.33Å; V65-L68 HydrophobicContact CG1-CB 3.89Å; V65-L68 HydrophobicContact CG1-CD1 4.44Å; V65-L68 HydrophobicContact CG1-CD2 4.31Å; V65-L68 HydrophobicContact CG1-CG 4.44Å; V65-L68 HydrophobicContact CG2-CD2 4.15Å; V65-L68 WeakPolarHBondContact O-CB 3.28Å; V65-L68 PolarHBondContact O-N 2.83Å; V65-L68 VanDerWaalsContact O-N 3.12Å; D66-L68 VanDerWaalsContact C-N 3.26Å; D66-L68 PolarHBondContact O-N 3.48Å; L68-F72 HydrophobicContact CD1-CB 4.21Å; L68-F72 HydrophobicContact CD1-CD2 4.29Å; L68-I73 HydrophobicContact CD1-CD1 4.27Å; L68-I73 HydrophobicContact CD1-CG1 4.13Å; L68-I73 HydrophobicContact CD2-CD1 3.92Å; L68-I73 HydrophobicContact CG-CD1 4.33Å; L68-F87 HydrophobicContact CD1-CE2 3.88Å; L68-F87 HydrophobicContact CD1-CZ 3.83Å; L68-L235 HydrophobicContact CD1-CD2 4.27Å; L68-V266 HydrophobicContact CD2-CG1 4.23Å; L68-A288 CarbonylContact O-C 3.38Å; L68-A288 WeakPolarHBondContact O-CA 3.45Å; L68-A289 HydrophobicContact CD2-CB 4.3Å; L68-A289 HydrophobicContact CG-CB 4.08Å; L68-A289 PolarHBondContact O-N 3.15Å | ||
| 69 | R | 97.2 | Very high | 95.3 | Very high | 13 Ų | 13 | 33.5 Ų | 33.5 | 5% | 0.049 | 16% | 0.161 | C | C | . | . | B | Isolated β-bridge | trans | -62.5 | 151.2 | 176 | -69.8 | 163.3 | 46.7 | 159.5 | -5.4 | 113.5 | A67 D71 F72 M272 D287 | A67-R69 PolarHBondContact O-N 3.38Å; R69-D71 VanDerWaalsContact C-N 3.33Å; R69-D71 WeakPolarHBondContact CB-OD1 3.28Å; R69-D71 IonicContact CZ-OD1 2.79Å; R69-D71 IonicContact CZ-OD2 2.93Å; R69-D71 IonicContact NE-OD1 3.88Å; R69-D71 PolarHBondContact NE-OD1 3.35Å; R69-D71 IonicContact NE-OD2 3.15Å; R69-D71 IonicContact NH2-OD1 2.56Å; R69-D71 PolarHBondContact NH2-OD1 2.97Å; R69-D71 IonicContact NH2-OD2 2.63Å; R69-D71 PolarHBondContact NH2-OD2 3.45Å; R69-D71 PolarHBondContact O-N 3.32Å; R69-F72 HydrophobicContact CB-CD1 4.12Å; R69-F72 HydrophobicContact CB-CD2 4Å; R69-F72 HydrophobicContact CB-CE1 4.26Å; R69-F72 HydrophobicContact CB-CE2 4.14Å; R69-F72 HydrophobicContact CB-CG 4.01Å; R69-F72 HydrophobicContact CB-CZ 4.29Å; R69-F72 HydrophobicContact CG-CE2 4.29Å; R69-F72 HydrophobicContact CG-CZ 4.28Å; R69-F72 WeakPolarHBondContact O-CB 3.31Å; R69-F72 PolarHBondContact O-N 3.18Å; R69-M272 WeakPolarHBondContact CD-O 3.39Å; R69-M272 HydrophobicContact CG-CG 4.26Å; R69-M272 PolarHBondContact NH1-O 2.82Å; R69-D287 WeakPolarHBondContact CA-O 3.49Å |
| 70 | Y | 95.2 | Very high | 95.6 | Very high | 62 Ų | 62 | 42.2 Ų | 42.2 | 24% | 0.243 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -57.6 | -42.6 | 176.6 | 178.1 | -107.6 | 0 | 0 | 0 | 113.2 | F72 I73 A74 L103 F104 K105 | Y70-F72 VanDerWaalsContact C-N 3.28Å; Y70-F72 PolarHBondContact O-N 3.29Å; Y70-I73 PolarHBondContact O-N 3.04Å; Y70-A74 HydrophobicContact CD1-CB 4.05Å; Y70-A74 HydrophobicContact CE1-CB 3.62Å; Y70-A74 HydrophobicContact CE2-CB 4.32Å; Y70-A74 WeakPolarHBondContact O-CB 3.36Å; Y70-A74 PolarHBondContact O-N 3.43Å; Y70-L103 HydrophobicContact CE2-CD1 4.37Å; Y70-L103 HydrophobicContact CE2-CD2 4.15Å; Y70-L103 HydrophobicContact CE2-CG 3.91Å; Y70-F104 WeakPolarHBondContact CD2-O 3.31Å; Y70-K105 HydrophobicContact CD1-CB 4.31Å; Y70-K105 HydrophobicContact CD1-CD 4.41Å; Y70-K105 HydrophobicContact CD1-CG 4.3Å; Y70-K105 HydrophobicContact CD2-CB 3.74Å; Y70-K105 HydrophobicContact CD2-CG 4.27Å; Y70-K105 HydrophobicContact CE1-CB 4.47Å; Y70-K105 HydrophobicContact CE2-CB 3.91Å; Y70-K105 HydrophobicContact CG-CB 3.95Å; Y70-K105 HydrophobicContact CG-CG 4Å |
| 71 | D | 95.9 | Very high | 96 | Very high | 29 Ų | 29 | 45.3 Ų | 45.3 | 16% | 0.155 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -72.4 | -17.2 | -176.9 | 67.8 | -31.2 | 0 | 0 | 0 | 114 | R69 I73 H84 | R69-D71 VanDerWaalsContact C-N 3.33Å; R69-D71 WeakPolarHBondContact CB-OD1 3.28Å; R69-D71 IonicContact CZ-OD1 2.79Å; R69-D71 IonicContact CZ-OD2 2.93Å; R69-D71 IonicContact NE-OD1 3.88Å; R69-D71 PolarHBondContact NE-OD1 3.35Å; R69-D71 IonicContact NE-OD2 3.15Å; R69-D71 IonicContact NH2-OD1 2.56Å; R69-D71 PolarHBondContact NH2-OD1 2.97Å; R69-D71 IonicContact NH2-OD2 2.63Å; R69-D71 PolarHBondContact NH2-OD2 3.45Å; R69-D71 PolarHBondContact O-N 3.32Å; D71-I73 VanDerWaalsContact C-N 3.27Å; D71-I73 PolarHBondContact O-N 3.5Å; D71-H84 PolarHBondContact O-CD2 2.61Å; D71-H84 VanDerWaalsContact O-CD2 3.23Å; D71-H84 IonicContact OD2-NE2 3.15Å; D71-H84 PolarHBondContact OD2-NE2 3.05Å; D71-H84 VanDerWaalsContact OD2-NE2 3.15Å |
| 72 | F | 98 | Very high | 96.2 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.2 | -33 | 171.1 | -67.6 | -6.1 | 0 | 0 | 0 | 111.9 | L68 R69 Y70 Y83 F87 V217 P226 M231 L235 M272 | L68-F72 HydrophobicContact CD1-CB 4.21Å; L68-F72 HydrophobicContact CD1-CD2 4.29Å; R69-F72 HydrophobicContact CB-CD1 4.12Å; R69-F72 HydrophobicContact CB-CD2 4Å; R69-F72 HydrophobicContact CB-CE1 4.26Å; R69-F72 HydrophobicContact CB-CE2 4.14Å; R69-F72 HydrophobicContact CB-CG 4.01Å; R69-F72 HydrophobicContact CB-CZ 4.29Å; R69-F72 HydrophobicContact CG-CE2 4.29Å; R69-F72 HydrophobicContact CG-CZ 4.28Å; R69-F72 WeakPolarHBondContact O-CB 3.31Å; R69-F72 PolarHBondContact O-N 3.18Å; Y70-F72 VanDerWaalsContact C-N 3.28Å; Y70-F72 PolarHBondContact O-N 3.29Å; F72-Y83 AromaticContact CD1-CD2 3.56Å; F72-Y83 HydrophobicContact CD1-CD2 3.56Å; F72-Y83 HydrophobicContact CD1-CE2 4.3Å; F72-Y83 HydrophobicContact CD1-CG 4.21Å; F72-Y83 AromaticContact CE1-CD2 3.4Å; F72-Y83 HydrophobicContact CE1-CD2 3.4Å; F72-Y83 VanDerWaalsContact CE1-CD2 3.4Å; F72-Y83 AromaticContact CE1-CE2 3.97Å; F72-Y83 HydrophobicContact CE1-CE2 3.97Å; F72-Y83 AromaticContact CE1-CG 3.82Å; F72-Y83 HydrophobicContact CE1-CG 3.82Å; F72-F87 WeakPolarHBondContact O-CD2 3.46Å; F72-V217 HydrophobicContact CD2-CG1 4.41Å; F72-V217 HydrophobicContact CE2-CG1 4.04Å; F72-P226 HydrophobicContact CE1-CB 4.28Å; F72-P226 HydrophobicContact CZ-CB 3.97Å; F72-M231 HydrophobicContact CE2-SD 4.2Å; F72-M231 HydrophobicContact CZ-CE 4.46Å; F72-M231 HydrophobicContact CZ-SD 4.38Å; F72-L235 HydrophobicContact CB-CD1 4.03Å; F72-L235 HydrophobicContact CB-CD2 4.01Å; F72-L235 HydrophobicContact CD1-CD1 4.14Å; F72-L235 HydrophobicContact CD2-CD1 3.97Å; F72-L235 HydrophobicContact CD2-CD2 3.42Å; F72-L235 VanDerWaalsContact CD2-CD2 3.42Å; F72-L235 HydrophobicContact CD2-CG 4.32Å; F72-L235 HydrophobicContact CE2-CD1 4.43Å; F72-L235 HydrophobicContact CE2-CD2 4.07Å; F72-L235 HydrophobicContact CG-CD1 3.79Å; F72-L235 HydrophobicContact CG-CD2 3.92Å; F72-M272 HydrophobicContact CZ-SD 4.24Å |
| 73 | I | 96.5 | Very high | 96.3 | Very high | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -94.2 | -49.7 | 177.5 | -56.6 | -164.2 | 0 | 0 | 0 | 111.2 | L68 Y70 D71 F87 V90 Q91 L103 A289 | L68-I73 HydrophobicContact CD1-CD1 4.27Å; L68-I73 HydrophobicContact CD1-CG1 4.13Å; L68-I73 HydrophobicContact CD2-CD1 3.92Å; L68-I73 HydrophobicContact CG-CD1 4.33Å; Y70-I73 PolarHBondContact O-N 3.04Å; D71-I73 VanDerWaalsContact C-N 3.27Å; D71-I73 PolarHBondContact O-N 3.5Å; I73-F87 HydrophobicContact CB-CB 4.45Å; I73-F87 HydrophobicContact CB-CG 4.38Å; I73-F87 HydrophobicContact CD1-CD1 4.11Å; I73-F87 HydrophobicContact CD1-CE1 4.02Å; I73-F87 HydrophobicContact CD1-CE2 4.49Å; I73-F87 HydrophobicContact CD1-CG 4.36Å; I73-F87 HydrophobicContact CD1-CZ 4.2Å; I73-F87 HydrophobicContact CG1-CB 4.43Å; I73-F87 HydrophobicContact CG1-CD1 4.1Å; I73-F87 HydrophobicContact CG1-CD2 3.78Å; I73-F87 HydrophobicContact CG1-CE1 4.24Å; I73-F87 HydrophobicContact CG1-CE2 3.93Å; I73-F87 HydrophobicContact CG1-CG 3.84Å; I73-F87 HydrophobicContact CG1-CZ 4.15Å; I73-F87 HydrophobicContact CG2-CB 4.14Å; I73-F87 HydrophobicContact CG2-CG 4.38Å; I73-V90 HydrophobicContact CG2-CG1 3.84Å; I73-Q91 PolarHBondContact O-NE2 3.4Å; I73-L103 HydrophobicContact CB-CD1 4.16Å; I73-L103 HydrophobicContact CB-CD2 4.4Å; I73-L103 HydrophobicContact CG2-CD1 3.77Å; I73-L103 HydrophobicContact CG2-CD2 3.81Å; I73-L103 HydrophobicContact CG2-CG 4.43Å; I73-A289 HydrophobicContact CB-CB 4.48Å; I73-A289 HydrophobicContact CD1-CB 3.81Å; I73-A289 HydrophobicContact CG1-CB 4.06Å |
| 74 | A | 93.8 | Very high | 96.4 | Very high | 7 Ų | 7 | 48.4 Ų | 48.4 | 6% | 0.058 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -55.6 | 144.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112 | Y70 Q76 L103 | Y70-A74 HydrophobicContact CD1-CB 4.05Å; Y70-A74 HydrophobicContact CE1-CB 3.62Å; Y70-A74 HydrophobicContact CE2-CB 4.32Å; Y70-A74 WeakPolarHBondContact O-CB 3.36Å; Y70-A74 PolarHBondContact O-N 3.43Å; A74-Q76 PolarHBondContact O-N 3.35Å; A74-L103 HydrophobicContact CB-CD2 4.27Å |
| 75 | Q | 93.9 | Very high | 96.4 | Very high | 130 Ų | 130 | 50.8 Ų | 50.8 | 61% | 0.607 | 24% | 0.241 | S | C | * | . | trans | -66 | 131.3 | -179.9 | -168.4 | 178.1 | 23.9 | 0 | 0 | 110.3 | P77 | Q75-P77 HydrophobicContact CG-CG 4.23Å; Q75-P77 WeakPolarHBondContact O-CD 3.49Å | ||
| 76 | Q | 95.6 | Very high | 96.4 | Very high | 59 Ų | 59 | 54 Ų | 54 | 28% | 0.276 | 25% | 0.253 | S | S | . | . | trans | -124.7 | 79.4 | -179.9 | -64 | -66.2 | -24.2 | 0 | 0 | 109.7 | A74 Y78 S79 H84 N85 | A74-Q76 PolarHBondContact O-N 3.35Å; Q76-Y78 VanDerWaalsContact C-N 3.3Å; Q76-Y78 PolarHBondContact O-N 2.71Å; Q76-S79 PolarHBondContact O-N 3.47Å; Q76-H84 HydrophobicContact CB-CB 3.94Å; Q76-H84 HydrophobicContact CG-CB 4.17Å; Q76-N85 PolarHBondContact N-OD1 3.3Å; Q76-N85 PolarHBondContact O-ND2 2.86Å | ||
| 77 | P | 92.2 | Very high | 96.4 | Very high | 90 Ų | 90 | 54 Ų | 54 | 58% | 0.584 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -32.8 | -166.9 | -26 | 34.6 | 0 | 0 | 0 | 115.3 | Q75 | Q75-P77 HydrophobicContact CG-CG 4.23Å; Q75-P77 WeakPolarHBondContact O-CD 3.49Å |
| 78 | Y | 95.2 | Very high | 96.3 | Very high | 222 Ų | 222 | 62.3 Ų | 62.3 | 87% | 0.871 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.8 | 3.2 | -173.8 | -54.9 | -66.6 | 0 | 0 | 0 | 113.8 | Q76 | Q76-Y78 VanDerWaalsContact C-N 3.3Å; Q76-Y78 PolarHBondContact O-N 2.71Å |
| 79 | S | 95.9 | Very high | 96.2 | Very high | 43 Ų | 43 | 65.3 Ų | 65.3 | 30% | 0.301 | 30% | 0.297 | S | S | . | . | trans | -81.6 | 140.6 | -173 | -166.8 | 0 | 0 | 0 | 0 | 112.7 | Q76 Q81 H84 | Q76-S79 PolarHBondContact O-N 3.47Å; S79-Q81 WeakPolarHBondContact OG-CG 3.47Å; S79-Q81 PolarHBondContact OG-N 3Å; S79-H84 WeakPolarHBondContact CB-ND1 2.97Å; S79-H84 PolarHBondContact OG-CE1 3.22Å; S79-H84 PolarHBondContact OG-ND1 3.32Å | ||
| 80 | K | 95.1 | Very high | 96.1 | Very high | 205 Ų | 205 | 64.8 Ų | 64.8 | 89% | 0.891 | 30% | 0.295 | S | S | * | . | trans | -98.3 | 1.4 | 173.8 | -60.9 | -178.9 | -178.5 | 177.5 | 0 | 112.8 | ||||
| 81 | Q | 97.4 | Very high | 96.1 | Very high | 76 Ų | 76 | 63.3 Ų | 63.3 | 36% | 0.355 | 29% | 0.291 | S | S | . | . | trans | -68.1 | 136.5 | -179.9 | -63.1 | -63.8 | -7.4 | 0 | 0 | 110.8 | S79 Y83 H84 | S79-Q81 WeakPolarHBondContact OG-CG 3.47Å; S79-Q81 PolarHBondContact OG-N 3Å; Q81-Y83 VanDerWaalsContact C-N 3.26Å; Q81-Y83 HydrophobicContact CB-CD1 4.03Å; Q81-Y83 HydrophobicContact CB-CD2 4.3Å; Q81-Y83 HydrophobicContact CB-CE1 3.66Å; Q81-Y83 HydrophobicContact CB-CE2 3.95Å; Q81-Y83 HydrophobicContact CB-CG 4.37Å; Q81-Y83 HydrophobicContact CG-CE1 4Å; Q81-Y83 HydrophobicContact CG-CE2 4.28Å; Q81-Y83 WeakPolarHBondContact CG-OH 3.24Å; Q81-Y83 PolarHBondContact O-N 2.66Å; Q81-H84 PolarHBondContact O-N 3.38Å | ||
| 82 | I | 96.9 | Very high | 96 | Very high | 55 Ų | 55 | 64 Ų | 64 | 28% | 0.282 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -28 | -173.6 | -161.4 | 163.5 | 0 | 0 | 0 | 112.6 | R86 S227 P229 A232 | I82-R86 PolarHBondContact O-NE 2.96Å; I82-R86 PolarHBondContact O-NH2 2.71Å; I82-S227 VanDerWaalsContact CG2-O 3.25Å; I82-S227 WeakPolarHBondContact CG2-O 3.28Å; I82-P229 HydrophobicContact CD1-CB 3.97Å; I82-P229 HydrophobicContact CD1-CG 3.82Å; I82-A232 HydrophobicContact CG1-CB 3.98Å; I82-A232 WeakPolarHBondContact O-CB 3.23Å |
| 83 | Y | 97.7 | Very high | 95.8 | Very high | 4 Ų | 4 | 64.9 Ų | 64.9 | 2% | 0.016 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -15.1 | -179.1 | 50.3 | -94.4 | 0 | 0 | 0 | 113.9 | F72 Q81 R86 P226 L235 Q274 | F72-Y83 AromaticContact CD1-CD2 3.56Å; F72-Y83 HydrophobicContact CD1-CD2 3.56Å; F72-Y83 HydrophobicContact CD1-CE2 4.3Å; F72-Y83 HydrophobicContact CD1-CG 4.21Å; F72-Y83 AromaticContact CE1-CD2 3.4Å; F72-Y83 HydrophobicContact CE1-CD2 3.4Å; F72-Y83 VanDerWaalsContact CE1-CD2 3.4Å; F72-Y83 AromaticContact CE1-CE2 3.97Å; F72-Y83 HydrophobicContact CE1-CE2 3.97Å; F72-Y83 AromaticContact CE1-CG 3.82Å; F72-Y83 HydrophobicContact CE1-CG 3.82Å; Q81-Y83 VanDerWaalsContact C-N 3.26Å; Q81-Y83 HydrophobicContact CB-CD1 4.03Å; Q81-Y83 HydrophobicContact CB-CD2 4.3Å; Q81-Y83 HydrophobicContact CB-CE1 3.66Å; Q81-Y83 HydrophobicContact CB-CE2 3.95Å; Q81-Y83 HydrophobicContact CB-CG 4.37Å; Q81-Y83 HydrophobicContact CG-CE1 4Å; Q81-Y83 HydrophobicContact CG-CE2 4.28Å; Q81-Y83 WeakPolarHBondContact CG-OH 3.24Å; Q81-Y83 PolarHBondContact O-N 2.66Å; Y83-R86 VanDerWaalsContact O-CG 3.28Å; Y83-R86 WeakPolarHBondContact O-CG 3.06Å; Y83-P226 HydrophobicContact CD1-CB 4.06Å; Y83-P226 WeakPolarHBondContact CD1-O 3.39Å; Y83-P226 HydrophobicContact CE1-CB 4.23Å; Y83-P226 HydrophobicContact CG-CB 4.49Å; Y83-L235 VanDerWaalsContact O-CD1 3.32Å; Y83-L235 WeakPolarHBondContact O-CD1 3.5Å; Y83-Q274 PolarHBondContact OH-NE2 2.71Å; Y83-Q274 VanDerWaalsContact OH-NE2 3.16Å |
| 84 | H | 98.2 | Very high | 95.5 | Very high | 17 Ų | 17 | 66.5 Ų | 66.5 | 8% | 0.079 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | 152.9 | -179.9 | -73.2 | 162.4 | 0 | 0 | 0 | 113.5 | D71 Q76 S79 Q81 R86 | D71-H84 PolarHBondContact O-CD2 2.61Å; D71-H84 VanDerWaalsContact O-CD2 3.23Å; D71-H84 IonicContact OD2-NE2 3.15Å; D71-H84 PolarHBondContact OD2-NE2 3.05Å; D71-H84 VanDerWaalsContact OD2-NE2 3.15Å; Q76-H84 HydrophobicContact CB-CB 3.94Å; Q76-H84 HydrophobicContact CG-CB 4.17Å; S79-H84 WeakPolarHBondContact CB-ND1 2.97Å; S79-H84 PolarHBondContact OG-CE1 3.22Å; S79-H84 PolarHBondContact OG-ND1 3.32Å; Q81-H84 PolarHBondContact O-N 3.38Å; H84-R86 VanDerWaalsContact C-N 3.26Å; H84-R86 PolarHBondContact O-N 3.38Å |
| 85 | N | 97.2 | Very high | 95.5 | Very high | 52 Ų | 52 | 70.8 Ų | 70.8 | 28% | 0.278 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | 35.3 | 176.1 | -52.1 | -59.7 | 0 | 0 | 0 | 113.6 | Q76 R88 | Q76-N85 PolarHBondContact N-OD1 3.3Å; Q76-N85 PolarHBondContact O-ND2 2.86Å; N85-R88 WeakPolarHBondContact O-CG 3.4Å |
| 86 | R | 98 | Very high | 95.4 | Very high | 68 Ų | 68 | 70.5 Ų | 70.5 | 26% | 0.257 | 34% | 0.342 | S | S | . | . | trans | -90.7 | -22.2 | 176.7 | -61.3 | -61.4 | 170 | -179.2 | 0.4 | 113.6 | I82 Y83 H84 R88 A232 L235 | I82-R86 PolarHBondContact O-NE 2.96Å; I82-R86 PolarHBondContact O-NH2 2.71Å; Y83-R86 VanDerWaalsContact O-CG 3.28Å; Y83-R86 WeakPolarHBondContact O-CG 3.06Å; H84-R86 VanDerWaalsContact C-N 3.26Å; H84-R86 PolarHBondContact O-N 3.38Å; R86-R88 VanDerWaalsContact C-N 3.26Å; R86-R88 PolarHBondContact O-N 2.5Å; R86-R88 VanDerWaalsContact O-N 3.12Å; R86-A232 HydrophobicContact CG-CB 4.34Å; R86-L235 HydrophobicContact CB-CB 3.66Å; R86-L235 HydrophobicContact CB-CD1 4.45Å; R86-L235 HydrophobicContact CG-CB 4.2Å; R86-L235 HydrophobicContact CG-CD1 4.39Å | ||
| 87 | F | 97.6 | Very high | 95.2 | Very high | 1 Ų | 1 | 70.7 Ų | 70.7 | 0% | 0.004 | 34% | 0.343 | C | S | . | . | trans | -86 | 53.8 | 174.3 | -82.2 | -94.7 | 0 | 0 | 0 | 113 | L68 F72 I73 K89 V90 Q91 L235 M238 D239 | L68-F87 HydrophobicContact CD1-CE2 3.88Å; L68-F87 HydrophobicContact CD1-CZ 3.83Å; F72-F87 WeakPolarHBondContact O-CD2 3.46Å; I73-F87 HydrophobicContact CB-CB 4.45Å; I73-F87 HydrophobicContact CB-CG 4.38Å; I73-F87 HydrophobicContact CD1-CD1 4.11Å; I73-F87 HydrophobicContact CD1-CE1 4.02Å; I73-F87 HydrophobicContact CD1-CE2 4.49Å; I73-F87 HydrophobicContact CD1-CG 4.36Å; I73-F87 HydrophobicContact CD1-CZ 4.2Å; I73-F87 HydrophobicContact CG1-CB 4.43Å; I73-F87 HydrophobicContact CG1-CD1 4.1Å; I73-F87 HydrophobicContact CG1-CD2 3.78Å; I73-F87 HydrophobicContact CG1-CE1 4.24Å; I73-F87 HydrophobicContact CG1-CE2 3.93Å; I73-F87 HydrophobicContact CG1-CG 3.84Å; I73-F87 HydrophobicContact CG1-CZ 4.15Å; I73-F87 HydrophobicContact CG2-CB 4.14Å; I73-F87 HydrophobicContact CG2-CG 4.38Å; F87-K89 VanDerWaalsContact C-N 3.33Å; F87-K89 PolarHBondContact O-N 2.6Å; F87-V90 HydrophobicContact CB-CB 4.16Å; F87-V90 HydrophobicContact CD1-CB 4.17Å; F87-V90 HydrophobicContact CD1-CG2 3.85Å; F87-V90 PolarHBondContact O-N 3.1Å; F87-Q91 WeakPolarHBondContact O-CB 3.2Å; F87-Q91 VanDerWaalsContact O-CG 3.26Å; F87-Q91 WeakPolarHBondContact O-CG 3.14Å; F87-Q91 PolarHBondContact O-N 2.9Å; F87-L235 HydrophobicContact CD2-CB 4.49Å; F87-L235 HydrophobicContact CE2-CB 4.03Å; F87-L235 HydrophobicContact CE2-CD2 3.97Å; F87-M238 HydrophobicContact CE1-CB 4.04Å; F87-M238 HydrophobicContact CZ-CB 3.62Å; F87-D239 VanDerWaalsContact CA-OD1 3.25Å; F87-D239 WeakPolarHBondContact CA-OD1 3.07Å; F87-D239 HydrophobicContact CD1-CB 3.9Å; F87-D239 HydrophobicContact CE1-CB 4.33Å; F87-D239 HydrophobicContact CG-CB 4.22Å | ||
| 88 | R | 96.3 | Very high | 95.1 | Very high | 175 Ų | 175 | 68.7 Ų | 68.7 | 66% | 0.66 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -65.4 | -35.8 | -172.5 | -64.2 | -176 | -176.4 | -177.9 | -0.4 | 112.8 | N85 R86 Q91 A92 D239 | N85-R88 WeakPolarHBondContact O-CG 3.4Å; R86-R88 VanDerWaalsContact C-N 3.26Å; R86-R88 PolarHBondContact O-N 2.5Å; R86-R88 VanDerWaalsContact O-N 3.12Å; R88-Q91 PolarHBondContact O-N 3.41Å; R88-A92 PolarHBondContact O-N 3.41Å; R88-D239 PolarHBondContact N-OD1 2.76Å; R88-D239 PolarHBondContact N-OD2 2.68Å |
| 89 | K | 95.9 | Very high | 94.8 | Very high | 62 Ų | 62 | 61.5 Ų | 61.5 | 27% | 0.27 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -75.1 | -41.2 | -178.8 | -59.2 | 174.9 | -153.9 | 80.6 | 0 | 110.1 | F87 Q91 A92 L93 D239 D240 N243 | F87-K89 VanDerWaalsContact C-N 3.33Å; F87-K89 PolarHBondContact O-N 2.6Å; K89-Q91 VanDerWaalsContact C-N 3.32Å; K89-Q91 PolarHBondContact O-N 2.86Å; K89-A92 WeakPolarHBondContact O-CB 3.09Å; K89-A92 PolarHBondContact O-N 3.26Å; K89-L93 WeakPolarHBondContact O-CG 3.35Å; K89-L93 PolarHBondContact O-N 2.62Å; K89-L93 VanDerWaalsContact O-N 3.08Å; K89-D239 WeakPolarHBondContact CB-OD1 3.24Å; K89-D239 WeakPolarHBondContact CB-OD2 3.09Å; K89-D239 VanDerWaalsContact CG-OD2 3.25Å; K89-D239 WeakPolarHBondContact CG-OD2 2.96Å; K89-D239 PolarHBondContact N-OD1 2.83Å; K89-D239 VanDerWaalsContact N-OD1 3.09Å; K89-D239 PolarHBondContact N-OD2 2.98Å; K89-D239 VanDerWaalsContact N-OD2 3.13Å; K89-D239 IonicContact NZ-OD2 3.99Å; K89-D239 PolarHBondContact NZ-OD2 2.86Å; K89-D240 WeakPolarHBondContact CE-OD1 3.26Å; K89-D240 IonicContact NZ-OD1 3.94Å; K89-D240 PolarHBondContact NZ-OD1 2.72Å; K89-N243 HydrophobicContact CB-CB 3.93Å; K89-N243 HydrophobicContact CD-CB 3.31Å; K89-N243 HydrophobicContact CG-CB 4.22Å |
| 90 | V | 95.5 | Very high | 94.4 | Very high | 2 Ų | 2 | 61.7 Ų | 61.7 | 1% | 0.012 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.1 | -43.2 | 170.5 | 168.9 | 0 | 0 | 0 | 0 | 111.7 | I73 F87 A92 L93 L94 D239 V242 F291 | I73-V90 HydrophobicContact CG2-CG1 3.84Å; F87-V90 HydrophobicContact CB-CB 4.16Å; F87-V90 HydrophobicContact CD1-CB 4.17Å; F87-V90 HydrophobicContact CD1-CG2 3.85Å; F87-V90 PolarHBondContact O-N 3.1Å; V90-A92 VanDerWaalsContact C-N 3.32Å; V90-A92 PolarHBondContact O-N 2.73Å; V90-L93 WeakPolarHBondContact O-CB 3.07Å; V90-L93 PolarHBondContact O-N 2.8Å; V90-L93 VanDerWaalsContact O-N 3.13Å; V90-L94 HydrophobicContact CG1-CD1 4.07Å; V90-L94 HydrophobicContact CG1-CG 4.47Å; V90-L94 WeakPolarHBondContact O-CG 3.2Å; V90-L94 PolarHBondContact O-N 2.87Å; V90-D239 PolarHBondContact N-OD1 2.81Å; V90-V242 HydrophobicContact CG2-CB 4.17Å; V90-V242 HydrophobicContact CG2-CG1 3.75Å; V90-F291 HydrophobicContact CG1-CD1 4.46Å; V90-F291 HydrophobicContact CG1-CD2 3.64Å; V90-F291 HydrophobicContact CG1-CE1 4.46Å; V90-F291 HydrophobicContact CG1-CE2 3.63Å; V90-F291 HydrophobicContact CG1-CG 4.06Å; V90-F291 HydrophobicContact CG1-CZ 4.06Å; V90-F291 HydrophobicContact CG2-CD1 4.5Å; V90-F291 HydrophobicContact CG2-CE1 4.27Å; V90-F291 HydrophobicContact CG2-CZ 4.41Å |
| 91 | Q | 95.2 | Very high | 94.1 | Very high | 32 Ų | 32 | 52 Ų | 52 | 15% | 0.15 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.8 | -38.5 | 175.5 | -74.2 | -59.5 | -32.6 | 0 | 0 | 113.1 | I73 F87 R88 K89 L93 L94 T95 | I73-Q91 PolarHBondContact O-NE2 3.4Å; F87-Q91 WeakPolarHBondContact O-CB 3.2Å; F87-Q91 VanDerWaalsContact O-CG 3.26Å; F87-Q91 WeakPolarHBondContact O-CG 3.14Å; F87-Q91 PolarHBondContact O-N 2.9Å; R88-Q91 PolarHBondContact O-N 3.41Å; K89-Q91 VanDerWaalsContact C-N 3.32Å; K89-Q91 PolarHBondContact O-N 2.86Å; Q91-L93 VanDerWaalsContact C-N 3.31Å; Q91-L93 PolarHBondContact O-N 2.85Å; Q91-L94 PolarHBondContact O-N 3.48Å; Q91-T95 PolarHBondContact O-N 3.06Å; Q91-T95 VanDerWaalsContact O-N 3.11Å; Q91-T95 PolarHBondContact O-OG1 2.85Å |
| 92 | A | 94.7 | Very high | 93.8 | Very high | 43 Ų | 43 | 49.9 Ų | 49.9 | 36% | 0.355 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62.6 | -38.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | R88 K89 V90 T95 N96 | R88-A92 PolarHBondContact O-N 3.41Å; K89-A92 WeakPolarHBondContact O-CB 3.09Å; K89-A92 PolarHBondContact O-N 3.26Å; V90-A92 VanDerWaalsContact C-N 3.32Å; V90-A92 PolarHBondContact O-N 2.73Å; A92-T95 PolarHBondContact O-N 3.4Å; A92-N96 WeakPolarHBondContact O-CB 3.25Å; A92-N96 PolarHBondContact O-N 2.85Å; A92-N96 PolarHBondContact O-ND2 3.26Å |
| 93 | L | 92.4 | Very high | 93.5 | Very high | 19 Ų | 19 | 48.1 Ų | 48.1 | 10% | 0.099 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.5 | -46.8 | 175.9 | -64.2 | 162.4 | 0 | 0 | 0 | 111.8 | K89 V90 Q91 T95 N96 E97 S101 L246 F291 Y293 | K89-L93 WeakPolarHBondContact O-CG 3.35Å; K89-L93 PolarHBondContact O-N 2.62Å; K89-L93 VanDerWaalsContact O-N 3.08Å; V90-L93 WeakPolarHBondContact O-CB 3.07Å; V90-L93 PolarHBondContact O-N 2.8Å; V90-L93 VanDerWaalsContact O-N 3.13Å; Q91-L93 VanDerWaalsContact C-N 3.31Å; Q91-L93 PolarHBondContact O-N 2.85Å; L93-T95 PolarHBondContact O-N 3.08Å; L93-T95 VanDerWaalsContact O-N 3.16Å; L93-N96 PolarHBondContact O-N 3.3Å; L93-E97 CarbonylContact O-C 3.59Å; L93-E97 WeakPolarHBondContact O-CA 3.13Å; L93-E97 PolarHBondContact O-N 2.94Å; L93-S101 VanDerWaalsContact C-OG 3.3Å; L93-S101 PolarHBondContact O-OG 3.39Å; L93-S101 VanDerWaalsContact O-OG 3.06Å; L93-L246 HydrophobicContact CD1-CD1 3.09Å; L93-L246 HydrophobicContact CD2-CD1 4.19Å; L93-L246 HydrophobicContact CG-CD1 4.25Å; L93-F291 HydrophobicContact CD1-CZ 4.18Å; L93-Y293 HydrophobicContact CD2-CE2 4.05Å |
| 94 | L | 91.6 | Very high | 93.1 | Very high | 34 Ų | 34 | 49.1 Ų | 49.1 | 18% | 0.178 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -57 | -32.2 | 177.1 | -68.8 | 168.2 | 0 | 0 | 0 | 112.2 | V90 Q91 S101 L103 F291 | V90-L94 HydrophobicContact CG1-CD1 4.07Å; V90-L94 HydrophobicContact CG1-CG 4.47Å; V90-L94 WeakPolarHBondContact O-CG 3.2Å; V90-L94 PolarHBondContact O-N 2.87Å; Q91-L94 PolarHBondContact O-N 3.48Å; L94-S101 VanDerWaalsContact CA-OG 3.31Å; L94-S101 WeakPolarHBondContact CA-OG 3.15Å; L94-S101 PolarHBondContact N-OG 3.15Å; L94-L103 HydrophobicContact CD1-CB 3.85Å; L94-L103 HydrophobicContact CD1-CD2 3.96Å; L94-L103 HydrophobicContact CD1-CG 4.5Å; L94-L103 HydrophobicContact CD2-CB 3.87Å; L94-F291 HydrophobicContact CD2-CD2 4.24Å; L94-F291 HydrophobicContact CD2-CE2 4Å; L94-F291 HydrophobicContact CG-CE2 4.21Å |
| 95 | T | 92.7 | Very high | 92.7 | Very high | 98 Ų | 98 | 50.6 Ų | 50.6 | 60% | 0.601 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -83.5 | -46 | 178.9 | -54.2 | 0 | 0 | 0 | 0 | 112.5 | Q91 A92 L93 | Q91-T95 PolarHBondContact O-N 3.06Å; Q91-T95 VanDerWaalsContact O-N 3.11Å; Q91-T95 PolarHBondContact O-OG1 2.85Å; A92-T95 PolarHBondContact O-N 3.4Å; L93-T95 PolarHBondContact O-N 3.08Å; L93-T95 VanDerWaalsContact O-N 3.16Å |
| 96 | N | 93.2 | Very high | 91.9 | Very high | 124 Ų | 124 | 48.2 Ų | 48.2 | 66% | 0.663 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -89.7 | -26.9 | -169.5 | -62.8 | -23.5 | 0 | 0 | 0 | 113.2 | A92 L93 P98 | A92-N96 WeakPolarHBondContact O-CB 3.25Å; A92-N96 PolarHBondContact O-N 2.85Å; A92-N96 PolarHBondContact O-ND2 3.26Å; L93-N96 PolarHBondContact O-N 3.3Å; N96-P98 VanDerWaalsContact C-CD 3.4Å |
| 97 | E | 91 | Very high | 91.4 | Very high | 62 Ų | 62 | 46.6 Ų | 46.6 | 29% | 0.29 | 24% | 0.235 | S | C | . | . | trans | -129.3 | 56.8 | -176.7 | -59.1 | 177.4 | -139.1 | 0 | 0 | 110.7 | L93 Q99 H100 S101 Y293 | L93-E97 CarbonylContact O-C 3.59Å; L93-E97 WeakPolarHBondContact O-CA 3.13Å; L93-E97 PolarHBondContact O-N 2.94Å; E97-Q99 PolarHBondContact O-N 3.21Å; E97-H100 HydrophobicContact CB-CB 4.03Å; E97-H100 PolarHBondContact O-N 2.83Å; E97-S101 PolarHBondContact O-N 2.91Å; E97-S101 VanDerWaalsContact O-N 3.15Å; E97-S101 PolarHBondContact O-OG 3.13Å; E97-Y293 WeakPolarHBondContact OE2-CE2 3.21Å; E97-Y293 PolarHBondContact OE2-OH 3.46Å | ||
| 98 | P | 89.5 | Confident | 90.9 | Very high | 48 Ų | 48 | 46.6 Ų | 46.6 | 31% | 0.312 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -23.3 | -170.8 | 26.8 | -36.3 | 0 | 0 | 0 | 113.9 | N96 H100 H299 | N96-P98 VanDerWaalsContact C-CD 3.4Å; P98-H100 VanDerWaalsContact C-N 3.32Å; P98-H299 PolarHBondContact O-CE1 2.89Å; P98-H299 PolarHBondContact O-NE2 3.33Å |
| 99 | Q | 88.9 | Confident | 90.4 | Very high | 71 Ų | 71 | 40.8 Ų | 40.8 | 33% | 0.332 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -12.8 | 175.8 | -70.1 | -177.6 | -42 | 0 | 0 | 113.2 | E97 I297 L298 | E97-Q99 PolarHBondContact O-N 3.21Å; Q99-I297 HydrophobicContact CB-CG2 4.32Å; Q99-L298 PolarHBondContact O-N 3Å |
| 100 | H | 88.2 | Confident | 90.1 | Very high | 47 Ų | 47 | 40.4 Ų | 40.4 | 22% | 0.218 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.1 | -6.7 | -175.4 | -68.7 | -78.3 | 0 | 0 | 0 | 112.5 | E97 P98 Y293 S294 T295 S296 L298 | E97-H100 HydrophobicContact CB-CB 4.03Å; E97-H100 PolarHBondContact O-N 2.83Å; P98-H100 VanDerWaalsContact C-N 3.32Å; H100-Y293 HydrophobicContact CB-CE2 4.29Å; H100-Y293 VanDerWaalsContact O-CA 3.29Å; H100-Y293 WeakPolarHBondContact O-CA 3.24Å; H100-Y293 WeakPolarHBondContact O-CD2 3.36Å; H100-S294 VanDerWaalsContact CB-O 3.28Å; H100-S294 WeakPolarHBondContact CB-O 3.13Å; H100-S294 PolarHBondContact ND1-O 2.87Å; H100-S294 VanDerWaalsContact ND1-O 3.11Å; H100-S294 PolarHBondContact O-N 2.91Å; H100-T295 PolarHBondContact CE1-O 2.56Å; H100-T295 PolarHBondContact ND1-O 2.79Å; H100-S296 VanDerWaalsContact ND1-C 3.32Å; H100-S296 PolarHBondContact ND1-O 2.87Å; H100-L298 VanDerWaalsContact O-CD1 3.27Å; H100-L298 WeakPolarHBondContact O-CD1 3.34Å |
| 101 | S | 89.1 | Confident | 89.8 | Confident | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.007 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 137.1 | -174.3 | 63 | 0 | 0 | 0 | 0 | 111.5 | L93 L94 E97 A292 | L93-S101 VanDerWaalsContact C-OG 3.3Å; L93-S101 PolarHBondContact O-OG 3.39Å; L93-S101 VanDerWaalsContact O-OG 3.06Å; L94-S101 VanDerWaalsContact CA-OG 3.31Å; L94-S101 WeakPolarHBondContact CA-OG 3.15Å; L94-S101 PolarHBondContact N-OG 3.15Å; E97-S101 PolarHBondContact O-N 2.91Å; E97-S101 VanDerWaalsContact O-N 3.15Å; E97-S101 PolarHBondContact O-OG 3.13Å; S101-A292 VanDerWaalsContact CA-O 3.29Å; S101-A292 WeakPolarHBondContact CA-O 3.23Å |
| 102 | M | 90.2 | Very high | 89.6 | Confident | 32 Ų | 32 | 39 Ų | 39 | 16% | 0.158 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 145.5 | 179.9 | -57.5 | -177 | 89.4 | 0 | 0 | 110.2 | F104 F291 A292 L298 H299 | M102-F104 HydrophobicContact CB-CD2 4.16Å; M102-F104 HydrophobicContact CB-CE2 3.44Å; M102-F104 VanDerWaalsContact CB-CE2 3.44Å; M102-F104 HydrophobicContact CB-CZ 3.88Å; M102-F104 HydrophobicContact CE-CE1 3.95Å; M102-F104 HydrophobicContact CE-CE2 4.1Å; M102-F104 HydrophobicContact CE-CZ 3.28Å; M102-F104 HydrophobicContact CG-CE2 4.27Å; M102-F104 HydrophobicContact CG-CZ 4.35Å; M102-F104 HydrophobicContact SD-CE2 3.88Å; M102-F104 HydrophobicContact SD-CZ 3.61Å; M102-F291 CarbonylContact O-C 3.4Å; M102-F291 WeakPolarHBondContact O-CA 3.42Å; M102-F291 WeakPolarHBondContact O-CD2 3.26Å; M102-A292 HydrophobicContact CB-CB 4.49Å; M102-A292 PolarHBondContact N-O 3.29Å; M102-A292 PolarHBondContact O-N 3.41Å; M102-L298 HydrophobicContact CG-CD1 4.1Å; M102-L298 HydrophobicContact SD-CB 4.26Å; M102-H299 HydrophobicContact CE-CB 4.43Å; M102-H299 VanDerWaalsContact CE-CD2 3.43Å; M102-H299 WeakPolarHBondContact CE-CD2 3.5Å; M102-H299 WeakPolarHBondContact CG-CD2 3.46Å; M102-H299 WeakPolarHBondContact CG-NE2 3.26Å; M102-H299 PolarHBondContact SD-CD2 3.5Å |
| 103 | L | 91 | Very high | 89.4 | Confident | 18 Ų | 18 | 39 Ų | 39 | 9% | 0.094 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 128.2 | 173 | 177.9 | 64.5 | 0 | 0 | 0 | 109.4 | Y70 I73 A74 L94 L290 F291 | Y70-L103 HydrophobicContact CE2-CD1 4.37Å; Y70-L103 HydrophobicContact CE2-CD2 4.15Å; Y70-L103 HydrophobicContact CE2-CG 3.91Å; I73-L103 HydrophobicContact CB-CD1 4.16Å; I73-L103 HydrophobicContact CB-CD2 4.4Å; I73-L103 HydrophobicContact CG2-CD1 3.77Å; I73-L103 HydrophobicContact CG2-CD2 3.81Å; I73-L103 HydrophobicContact CG2-CG 4.43Å; A74-L103 HydrophobicContact CB-CD2 4.27Å; L94-L103 HydrophobicContact CD1-CB 3.85Å; L94-L103 HydrophobicContact CD1-CD2 3.96Å; L94-L103 HydrophobicContact CD1-CG 4.5Å; L94-L103 HydrophobicContact CD2-CB 3.87Å; L103-L290 CarbonylContact C-O 3.51Å; L103-L290 WeakPolarHBondContact CA-O 3.37Å; L103-F291 HydrophobicContact CD1-CB 4.39Å |
| 104 | F | 89.5 | Confident | 89.4 | Confident | 25 Ų | 25 | 39.4 Ų | 39.4 | 11% | 0.11 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 151.3 | 179.8 | -56.2 | -84.8 | 0 | 0 | 0 | 111.1 | Y70 M102 L290 L307 | Y70-F104 WeakPolarHBondContact CD2-O 3.31Å; M102-F104 HydrophobicContact CB-CD2 4.16Å; M102-F104 HydrophobicContact CB-CE2 3.44Å; M102-F104 VanDerWaalsContact CB-CE2 3.44Å; M102-F104 HydrophobicContact CB-CZ 3.88Å; M102-F104 HydrophobicContact CE-CE1 3.95Å; M102-F104 HydrophobicContact CE-CE2 4.1Å; M102-F104 HydrophobicContact CE-CZ 3.28Å; M102-F104 HydrophobicContact CG-CE2 4.27Å; M102-F104 HydrophobicContact CG-CZ 4.35Å; M102-F104 HydrophobicContact SD-CE2 3.88Å; M102-F104 HydrophobicContact SD-CZ 3.61Å; F104-L290 HydrophobicContact CB-CB 4.26Å; F104-L290 HydrophobicContact CB-CD2 4.1Å; F104-L290 HydrophobicContact CD2-CD2 3.65Å; F104-L290 HydrophobicContact CD2-CG 4.23Å; F104-L290 HydrophobicContact CE2-CD2 4.39Å; F104-L290 HydrophobicContact CG-CD2 4.21Å; F104-L290 PolarHBondContact N-O 3.23Å; F104-L290 PolarHBondContact O-N 2.73Å; F104-L307 HydrophobicContact CD1-CB 3.4Å; F104-L307 VanDerWaalsContact CD1-CB 3.4Å; F104-L307 HydrophobicContact CE1-CB 3.59Å; F104-L307 HydrophobicContact CE1-CD2 4.31Å; F104-L307 HydrophobicContact CE1-CG 4.42Å |
| 105 | K | 88.5 | Confident | 89.3 | Confident | 48 Ų | 48 | 40.5 Ų | 40.5 | 21% | 0.209 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 114.5 | 166.1 | -175.8 | 178.9 | 179 | 178.6 | 0 | 107.7 | Y70 E283 D287 | Y70-K105 HydrophobicContact CD1-CB 4.31Å; Y70-K105 HydrophobicContact CD1-CD 4.41Å; Y70-K105 HydrophobicContact CD1-CG 4.3Å; Y70-K105 HydrophobicContact CD2-CB 3.74Å; Y70-K105 HydrophobicContact CD2-CG 4.27Å; Y70-K105 HydrophobicContact CE1-CB 4.47Å; Y70-K105 HydrophobicContact CE2-CB 3.91Å; Y70-K105 HydrophobicContact CG-CB 3.95Å; Y70-K105 HydrophobicContact CG-CG 4Å; K105-E283 IonicContact NZ-OE1 3.68Å; K105-E283 PolarHBondContact NZ-OE1 3.38Å; K105-D287 WeakPolarHBondContact CE-OD1 3.38Å; K105-D287 WeakPolarHBondContact CE-OD2 3.14Å; K105-D287 IonicContact NZ-OD1 3.63Å; K105-D287 PolarHBondContact NZ-OD1 2.98Å; K105-D287 VanDerWaalsContact NZ-OD1 3.15Å; K105-D287 IonicContact NZ-OD2 3.55Å; K105-D287 PolarHBondContact NZ-OD2 3.22Å |
| 106 | F | 80.2 | Confident | 89.1 | Confident | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.009 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 136.2 | 173.6 | 166.9 | -131.1 | 0 | 0 | 0 | 108.6 | A108 R117 L121 G268 A288 F312 | F106-A108 HydrophobicContact CE1-CB 4.48Å; F106-R117 VanDerWaalsContact CZ-NH2 3.29Å; F106-L121 HydrophobicContact CE1-CD2 4.07Å; F106-L121 HydrophobicContact CZ-CD2 3.79Å; F106-G268 WeakPolarHBondContact CD1-O 3.3Å; F106-G268 WeakPolarHBondContact CE1-O 3.37Å; F106-A288 HydrophobicContact CB-CB 4.4Å; F106-A288 HydrophobicContact CD1-CB 3.63Å; F106-A288 HydrophobicContact CE1-CB 4.39Å; F106-A288 HydrophobicContact CG-CB 4.41Å; F106-A288 PolarHBondContact N-O 3Å; F106-A288 PolarHBondContact O-N 2.72Å; F106-F312 HydrophobicContact CB-CD1 4.43Å; F106-F312 HydrophobicContact CB-CE1 4.4Å; F106-F312 HydrophobicContact CD1-CD1 4.4Å; F106-F312 HydrophobicContact CD1-CE1 4.02Å; F106-F312 HydrophobicContact CD2-CB 4.02Å; F106-F312 AromaticContact CD2-CD1 3.04Å; F106-F312 HydrophobicContact CD2-CD1 3.04Å; F106-F312 AromaticContact CD2-CE1 3.49Å; F106-F312 HydrophobicContact CD2-CE1 3.49Å; F106-F312 VanDerWaalsContact CD2-CE1 3.49Å; F106-F312 AromaticContact CD2-CG 3.77Å; F106-F312 HydrophobicContact CD2-CG 3.77Å; F106-F312 HydrophobicContact CE1-CD1 4.5Å; F106-F312 HydrophobicContact CE1-CE1 4.12Å; F106-F312 HydrophobicContact CE2-CB 4.48Å; F106-F312 AromaticContact CE2-CD1 3.18Å; F106-F312 HydrophobicContact CE2-CD1 3.18Å; F106-F312 AromaticContact CE2-CE1 3.62Å; F106-F312 HydrophobicContact CE2-CE1 3.62Å; F106-F312 HydrophobicContact CE2-CG 4.22Å; F106-F312 AromaticContact CG-CD1 3.72Å; F106-F312 HydrophobicContact CG-CD1 3.72Å; F106-F312 AromaticContact CG-CE1 3.7Å; F106-F312 HydrophobicContact CG-CE1 3.7Å; F106-F312 HydrophobicContact CG-CG 4.45Å; F106-F312 AromaticContact CZ-CD1 3.91Å; F106-F312 HydrophobicContact CZ-CD1 3.91Å; F106-F312 AromaticContact CZ-CE1 3.88Å; F106-F312 HydrophobicContact CZ-CE1 3.88Å |
| 107 | V | 88.4 | Confident | 89 | Confident | 34 Ų | 34 | 30.6 Ų | 30.6 | 21% | 0.206 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 114.9 | 175.4 | -179.8 | 0 | 0 | 0 | 0 | 107.1 | L286 S309 | V107-L286 CarbonylContact C-O 3.59Å; V107-L286 WeakPolarHBondContact CA-O 3.46Å; V107-L286 HydrophobicContact CG1-CB 3.88Å; V107-L286 HydrophobicContact CG1-CD1 4.19Å; V107-S309 WeakPolarHBondContact CB-OG 3.44Å |
| 108 | A | 87.8 | Confident | 89 | Confident | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.008 | 15% | 0.149 | C | C | . | . | P | Polyproline II helix | trans | -70.3 | 146.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111 | F106 T112 H270 L286 | F106-A108 HydrophobicContact CE1-CB 4.48Å; A108-T112 HydrophobicContact CB-CG2 4.11Å; A108-H270 HydrophobicContact CB-CB 4.48Å; A108-L286 PolarHBondContact N-O 3.13Å; A108-L286 WeakPolarHBondContact O-CD2 3.36Å |
| 109 | D | 86.3 | Confident | 88.9 | Confident | 53 Ų | 53 | 26.3 Ų | 26.3 | 28% | 0.283 | 14% | 0.138 | S | C | . | . | P | Polyproline II helix | trans | -82.4 | 136.9 | 165.5 | -56.1 | -69.6 | 0 | 0 | 0 | 109.6 | R117 P127 | D109-R117 WeakPolarHBondContact O-CD 3.36Å; D109-R117 PolarHBondContact O-NH1 2.99Å; D109-P127 HydrophobicContact CB-CG 4.12Å |
| 110 | P | 87.8 | Confident | 88.8 | Confident | 55 Ų | 55 | 23.1 Ų | 23.1 | 36% | 0.357 | 12% | 0.124 | S | C | . | . | S | Bend | trans | -69.7 | 156.7 | 173.7 | 30.4 | -35.3 | 0 | 0 | 0 | 111.5 | D281 L286 | P110-D281 HydrophobicContact CB-CB 3.93Å; P110-D281 HydrophobicContact CG-CB 3.93Å; P110-L286 HydrophobicContact CB-CD2 4.43Å |
| 111 | P | 89.8 | Confident | 88.8 | Confident | 3 Ų | 3 | 21.3 Ų | 21.3 | 2% | 0.019 | 12% | 0.116 | C | C | . | . | P | Polyproline II helix | cis | -72 | 142.8 | -4.8 | 28.9 | -37.5 | 0 | 0 | 0 | 113.7 | T113 Q116 R117 F129 G279 | P111-T113 PolarHBondContact O-N 3.28Å; P111-T113 VanDerWaalsContact O-N 3.12Å; P111-Q116 HydrophobicContact CG-CB 4.03Å; P111-Q116 HydrophobicContact CG-CG 3.93Å; P111-R117 WeakPolarHBondContact O-CD 3.44Å; P111-F129 HydrophobicContact CB-CD1 4.22Å; P111-F129 HydrophobicContact CB-CD2 4.36Å; P111-F129 HydrophobicContact CB-CE1 3.56Å; P111-F129 HydrophobicContact CB-CE2 3.74Å; P111-F129 HydrophobicContact CB-CZ 3.31Å; P111-F129 HydrophobicContact CG-CD1 4.07Å; P111-F129 HydrophobicContact CG-CD2 4.1Å; P111-F129 HydrophobicContact CG-CE1 3.94Å; P111-F129 HydrophobicContact CG-CE2 3.97Å; P111-F129 HydrophobicContact CG-CG 4.17Å; P111-F129 HydrophobicContact CG-CZ 3.91Å; P111-G279 WeakPolarHBondContact CB-O 3.23Å |
| 112 | T | 91.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.118 | C | C | . | . | trans | -85.7 | 37.1 | -178 | 46.4 | 0 | 0 | 0 | 0 | 113 | A108 H270 H278 G279 G280 E285 L286 | A108-T112 HydrophobicContact CB-CG2 4.11Å; T112-H270 HydrophobicContact CG2-CB 4.04Å; T112-H270 PolarHBondContact O-CD2 3.49Å; T112-H270 PolarHBondContact O-NE2 2.96Å; T112-H278 PolarHBondContact O-ND1 2.88Å; T112-G279 VanDerWaalsContact OG1-C 3.27Å; T112-G279 WeakPolarHBondContact OG1-CA 3.4Å; T112-G279 PolarHBondContact OG1-N 3.05Å; T112-G280 WeakPolarHBondContact CG2-O 3.4Å; T112-G280 PolarHBondContact OG1-N 2.88Å; T112-G280 PolarHBondContact OG1-O 3.21Å; T112-E285 HydrophobicContact CG2-CB 4.33Å; T112-E285 WeakPolarHBondContact CG2-O 3.47Å; T112-L286 HydrophobicContact CG2-CD2 3.51Å | ||
| 113 | T | 90.9 | Very high | 88.7 | Confident | 45 Ų | 45 | 20.6 Ų | 20.6 | 28% | 0.276 | 11% | 0.113 | S | C | . | . | trans | -89.6 | 141.4 | 172.6 | 62.4 | 0 | 0 | 0 | 0 | 110.6 | P111 L115 Q116 R117 | P111-T113 PolarHBondContact O-N 3.28Å; P111-T113 VanDerWaalsContact O-N 3.12Å; T113-L115 VanDerWaalsContact C-N 3.33Å; T113-L115 PolarHBondContact O-N 2.88Å; T113-Q116 PolarHBondContact O-N 3.44Å; T113-Q116 WeakPolarHBondContact OG1-CB 3.47Å; T113-Q116 WeakPolarHBondContact OG1-CG 3.18Å; T113-R117 WeakPolarHBondContact O-CG 3.42Å; T113-R117 PolarHBondContact O-N 3.3Å | ||
| 114 | T | 91 | Very high | 88.4 | Confident | 26 Ų | 26 | 21 Ų | 21 | 16% | 0.16 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -45.7 | -52.6 | -176 | -46.5 | 0 | 0 | 0 | 0 | 112.8 | D66 Q116 R117 L118 | D66-T114 WeakPolarHBondContact OD2-CG2 3.41Å; D66-T114 PolarHBondContact OD2-OG1 3.46Å; T114-Q116 VanDerWaalsContact C-N 3.31Å; T114-Q116 PolarHBondContact O-N 2.8Å; T114-R117 PolarHBondContact O-N 3.34Å; T114-L118 HydrophobicContact CG2-CD1 4.11Å; T114-L118 HydrophobicContact CG2-CG 4.34Å; T114-L118 WeakPolarHBondContact O-CB 3.38Å; T114-L118 VanDerWaalsContact O-CG 3.28Å; T114-L118 WeakPolarHBondContact O-CG 3.25Å; T114-L118 PolarHBondContact O-N 3.1Å |
| 115 | L | 91 | Very high | 87.9 | Confident | 58 Ų | 58 | 21.3 Ų | 21.3 | 30% | 0.304 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -54.5 | -45.7 | 179.1 | -176 | 84.6 | 0 | 0 | 0 | 112.5 | T113 K119 T164 L168 | T113-L115 VanDerWaalsContact C-N 3.33Å; T113-L115 PolarHBondContact O-N 2.88Å; L115-K119 WeakPolarHBondContact O-CG 3.43Å; L115-K119 PolarHBondContact O-N 2.83Å; L115-K119 VanDerWaalsContact O-N 3.1Å; L115-T164 HydrophobicContact CD1-CG2 3.51Å; L115-L168 HydrophobicContact CD1-CD1 4.36Å; L115-L168 HydrophobicContact CD1-CD2 3.74Å; L115-L168 HydrophobicContact CD1-CG 4.18Å |
| 116 | Q | 88.2 | Confident | 87.6 | Confident | 13 Ų | 13 | 24.9 Ų | 24.9 | 6% | 0.061 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -73.5 | -36.8 | -175.5 | -64.8 | -62.1 | -20.1 | 0 | 0 | 111.2 | P111 T113 T114 K119 G120 P127 T128 | P111-Q116 HydrophobicContact CG-CB 4.03Å; P111-Q116 HydrophobicContact CG-CG 3.93Å; T113-Q116 PolarHBondContact O-N 3.44Å; T113-Q116 WeakPolarHBondContact OG1-CB 3.47Å; T113-Q116 WeakPolarHBondContact OG1-CG 3.18Å; T114-Q116 VanDerWaalsContact C-N 3.31Å; T114-Q116 PolarHBondContact O-N 2.8Å; Q116-K119 PolarHBondContact O-N 2.85Å; Q116-G120 PolarHBondContact O-N 3.4Å; Q116-P127 HydrophobicContact CB-CB 3.89Å; Q116-T128 PolarHBondContact NE2-O 3.33Å; Q116-T128 PolarHBondContact OE1-O 2.99Å |
| 117 | R | 90 | Very high | 87.5 | Confident | 1 Ų | 1 | 24.9 Ų | 24.9 | 0% | 0.004 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -67.6 | -44.6 | 174.9 | -63.7 | -48.9 | -52.9 | 151.2 | 6 | 111.9 | F106 D109 P111 T113 T114 K119 G120 L121 D269 H270 | F106-R117 VanDerWaalsContact CZ-NH2 3.29Å; D109-R117 WeakPolarHBondContact O-CD 3.36Å; D109-R117 PolarHBondContact O-NH1 2.99Å; P111-R117 WeakPolarHBondContact O-CD 3.44Å; T113-R117 WeakPolarHBondContact O-CG 3.42Å; T113-R117 PolarHBondContact O-N 3.3Å; T114-R117 PolarHBondContact O-N 3.34Å; R117-K119 VanDerWaalsContact C-N 3.31Å; R117-K119 PolarHBondContact O-N 3.12Å; R117-G120 PolarHBondContact O-N 2.94Å; R117-L121 VanDerWaalsContact O-CB 3.31Å; R117-L121 WeakPolarHBondContact O-CB 3.48Å; R117-L121 WeakPolarHBondContact O-CD1 3.41Å; R117-L121 WeakPolarHBondContact O-CG 3.5Å; R117-L121 PolarHBondContact O-N 3.27Å; R117-D269 HydrophobicContact CB-CB 3.88Å; R117-D269 WeakPolarHBondContact CG-O 3.42Å; R117-D269 PolarHBondContact NE-O 3.43Å; R117-H270 HydrophobicContact CG-CB 4.17Å |
| 118 | L | 90.7 | Very high | 87 | Confident | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -57.8 | -44.1 | 174 | -69.5 | -178.8 | 0 | 0 | 0 | 111.8 | T114 L122 W165 L168 | T114-L118 HydrophobicContact CG2-CD1 4.11Å; T114-L118 HydrophobicContact CG2-CG 4.34Å; T114-L118 WeakPolarHBondContact O-CB 3.38Å; T114-L118 VanDerWaalsContact O-CG 3.28Å; T114-L118 WeakPolarHBondContact O-CG 3.25Å; T114-L118 PolarHBondContact O-N 3.1Å; L118-L122 WeakPolarHBondContact O-CB 3.41Å; L118-L122 WeakPolarHBondContact O-CD1 3.24Å; L118-L122 VanDerWaalsContact O-CG 3.25Å; L118-L122 WeakPolarHBondContact O-CG 3.2Å; L118-L122 PolarHBondContact O-N 2.66Å; L118-W165 HydrophobicContact CD1-CZ2 4.46Å; L118-W165 HydrophobicContact CD2-CH2 4.29Å; L118-W165 HydrophobicContact CD2-CZ2 3.48Å; L118-W165 VanDerWaalsContact CD2-CZ2 3.48Å; L118-L168 HydrophobicContact CB-CD1 3.95Å; L118-L168 HydrophobicContact CD1-CD1 4.1Å |
| 119 | K | 87.3 | Confident | 86.2 | Confident | 19 Ų | 19 | 28.8 Ų | 28.8 | 8% | 0.083 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -56.8 | -59 | 172.6 | -78.5 | 179.7 | 168.4 | -172.1 | 0 | 111.1 | L115 Q116 R117 L121 L122 T123 D131 I141 L168 | L115-K119 WeakPolarHBondContact O-CG 3.43Å; L115-K119 PolarHBondContact O-N 2.83Å; L115-K119 VanDerWaalsContact O-N 3.1Å; Q116-K119 PolarHBondContact O-N 2.85Å; R117-K119 VanDerWaalsContact C-N 3.31Å; R117-K119 PolarHBondContact O-N 3.12Å; K119-L121 VanDerWaalsContact C-N 3.32Å; K119-L121 PolarHBondContact O-N 2.69Å; K119-L122 PolarHBondContact O-N 2.95Å; K119-L122 VanDerWaalsContact O-N 3.13Å; K119-T123 WeakPolarHBondContact O-CB 3.47Å; K119-T123 WeakPolarHBondContact O-CG2 3.33Å; K119-T123 PolarHBondContact O-N 3.07Å; K119-T123 PolarHBondContact O-OG1 2.92Å; K119-D131 IonicContact NZ-OD2 3.15Å; K119-D131 PolarHBondContact NZ-OD2 2.52Å; K119-I141 HydrophobicContact CG-CD1 3.84Å; K119-I141 HydrophobicContact CG-CG1 3.94Å; K119-L168 HydrophobicContact CD-CD2 4.36Å; K119-L168 HydrophobicContact CG-CD2 3.91Å |
| 120 | G | 86.9 | Confident | 85.2 | Confident | 3 Ų | 3 | 28 Ų | 28 | 3% | 0.031 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.4 | -38.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q116 R117 L122 G124 S125 | Q116-G120 PolarHBondContact O-N 3.4Å; R117-G120 PolarHBondContact O-N 2.94Å; G120-L122 PolarHBondContact O-N 3.2Å; G120-G124 WeakPolarHBondContact O-CA 3.2Å; G120-G124 PolarHBondContact O-N 3.43Å; G120-S125 WeakPolarHBondContact CA-O 2.8Å |
| 121 | L | 88.9 | Confident | 84 | Confident | 9 Ų | 9 | 27.1 Ų | 27.1 | 5% | 0.047 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.4 | -38.1 | 177.2 | -74.4 | 164.4 | 0 | 0 | 0 | 112.8 | F106 R117 K119 F267 D269 F312 I316 | F106-L121 HydrophobicContact CE1-CD2 4.07Å; F106-L121 HydrophobicContact CZ-CD2 3.79Å; R117-L121 VanDerWaalsContact O-CB 3.31Å; R117-L121 WeakPolarHBondContact O-CB 3.48Å; R117-L121 WeakPolarHBondContact O-CD1 3.41Å; R117-L121 WeakPolarHBondContact O-CG 3.5Å; R117-L121 PolarHBondContact O-N 3.27Å; K119-L121 VanDerWaalsContact C-N 3.32Å; K119-L121 PolarHBondContact O-N 2.69Å; L121-F267 HydrophobicContact CD1-CE2 3.91Å; L121-F267 HydrophobicContact CD2-CE2 4.22Å; L121-D269 HydrophobicContact CD1-CB 3.84Å; L121-F312 HydrophobicContact CD2-CE1 4.3Å; L121-I316 HydrophobicContact CD2-CD1 3.47Å; L121-I316 VanDerWaalsContact CD2-CD1 3.47Å |
| 122 | L | 89.9 | Confident | 82.1 | Confident | 10 Ų | 10 | 29.2 Ų | 29.2 | 5% | 0.052 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -93.5 | -27.9 | -171.9 | -63 | 170.4 | 0 | 0 | 0 | 113 | L118 K119 G120 N145 I146 I147 W165 F169 | L118-L122 WeakPolarHBondContact O-CB 3.41Å; L118-L122 WeakPolarHBondContact O-CD1 3.24Å; L118-L122 VanDerWaalsContact O-CG 3.25Å; L118-L122 WeakPolarHBondContact O-CG 3.2Å; L118-L122 PolarHBondContact O-N 2.66Å; K119-L122 PolarHBondContact O-N 2.95Å; K119-L122 VanDerWaalsContact O-N 3.13Å; G120-L122 PolarHBondContact O-N 3.2Å; L122-N145 VanDerWaalsContact O-CA 3.23Å; L122-N145 WeakPolarHBondContact O-CA 3.29Å; L122-N145 WeakPolarHBondContact O-CB 3.34Å; L122-I146 PolarHBondContact O-N 3.5Å; L122-I147 HydrophobicContact CD1-CD1 4.43Å; L122-W165 HydrophobicContact CD1-CE3 4.24Å; L122-W165 HydrophobicContact CD1-CH2 3.72Å; L122-W165 HydrophobicContact CD1-CZ3 3.48Å; L122-W165 VanDerWaalsContact CD1-CZ3 3.48Å; L122-W165 HydrophobicContact CD2-CH2 4.33Å; L122-W165 HydrophobicContact CD2-CZ3 4.38Å; L122-F169 HydrophobicContact CB-CZ 4.02Å; L122-F169 HydrophobicContact CD1-CE2 3.32Å; L122-F169 HydrophobicContact CD1-CZ 3.39Å; L122-F169 HydrophobicContact CG-CZ 4.32Å |
| 123 | T | 87.3 | Confident | 80.2 | Confident | 9 Ų | 9 | 30.1 Ų | 30.1 | 6% | 0.055 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -95.1 | -23.3 | 175.9 | 64.7 | 0 | 0 | 0 | 0 | 112.4 | K119 S125 I141 E143 D144 N145 K317 | K119-T123 WeakPolarHBondContact O-CB 3.47Å; K119-T123 WeakPolarHBondContact O-CG2 3.33Å; K119-T123 PolarHBondContact O-N 3.07Å; K119-T123 PolarHBondContact O-OG1 2.92Å; T123-S125 PolarHBondContact O-N 3.22Å; T123-S125 WeakPolarHBondContact OG1-CB 3.37Å; T123-S125 PolarHBondContact OG1-N 2.89Å; T123-S125 PolarHBondContact OG1-OG 2.97Å; T123-I141 HydrophobicContact CG2-CD1 4.45Å; T123-I141 HydrophobicContact CG2-CG2 3.65Å; T123-E143 HydrophobicContact CG2-CB 4.34Å; T123-D144 WeakPolarHBondContact CA-O 3.26Å; T123-N145 HydrophobicContact CG2-CB 4.15Å; T123-K317 VanDerWaalsContact O-CE 3.24Å; T123-K317 WeakPolarHBondContact O-CE 3.23Å; T123-K317 PolarHBondContact O-NZ 2.9Å |
| 124 | G | 83.8 | Confident | 78.1 | Confident | 27 Ų | 27 | 34.2 Ų | 34.2 | 28% | 0.278 | 19% | 0.194 | S | C | . | . | trans | 66.7 | 15.9 | -168.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | G120 | G120-G124 WeakPolarHBondContact O-CA 3.2Å; G120-G124 PolarHBondContact O-N 3.43Å | ||
| 125 | S | 80.6 | Confident | 75.9 | Confident | 30 Ų | 30 | 37.6 Ų | 37.6 | 21% | 0.21 | 21% | 0.211 | C | C | . | . | P | Polyproline II helix | trans | -86.8 | 160.1 | 174.8 | 66.6 | 0 | 0 | 0 | 0 | 111.4 | R27 G120 T123 | R27-S125 PolarHBondContact NH1-OG 2.95Å; G120-S125 WeakPolarHBondContact CA-O 2.8Å; T123-S125 PolarHBondContact O-N 3.22Å; T123-S125 WeakPolarHBondContact OG1-CB 3.37Å; T123-S125 PolarHBondContact OG1-N 2.89Å; T123-S125 PolarHBondContact OG1-OG 2.97Å |
| 126 | L | 81.2 | Confident | 73.8 | Confident | 123 Ų | 123 | 42.3 Ų | 42.3 | 64% | 0.644 | 23% | 0.23 | S | C | * | . | P | Polyproline II helix | trans | -64.4 | 132.1 | 167.3 | -68.2 | 172.8 | 0 | 0 | 0 | 109.7 | ||
| 127 | P | 79.2 | Confident | 71.9 | Confident | 3 Ų | 3 | 46.9 Ų | 46.9 | 2% | 0.019 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -71.1 | 148.4 | 175.2 | -6 | 20.2 | 0 | 0 | 0 | 111.6 | D109 Q116 | D109-P127 HydrophobicContact CB-CG 4.12Å; Q116-P127 HydrophobicContact CB-CB 3.89Å |
| 128 | T | 76.6 | Confident | 70.4 | Confident | 8 Ų | 8 | 48.8 Ų | 48.8 | 5% | 0.049 | 29% | 0.29 | C | S | . | . | trans | -146.4 | 138.9 | -179.7 | 46.7 | 0 | 0 | 0 | 0 | 111.1 | L25 R27 Q116 V130 D131 | L25-T128 HydrophobicContact CB-CG2 3.72Å; L25-T128 WeakPolarHBondContact O-CB 3.36Å; R27-T128 HydrophobicContact CB-CG2 4.15Å; R27-T128 WeakPolarHBondContact CD-OG1 3.2Å; R27-T128 HydrophobicContact CG-CG2 4.11Å; R27-T128 WeakPolarHBondContact CG-OG1 3.5Å; R27-T128 PolarHBondContact NE-OG1 2.73Å; Q116-T128 PolarHBondContact NE2-O 3.33Å; Q116-T128 PolarHBondContact OE1-O 2.99Å; T128-V130 PolarHBondContact O-N 2.83Å; T128-D131 PolarHBondContact OG1-OD1 2.7Å | ||
| 129 | F | 72 | Confident | 69.6 | Low | 108 Ų | 108 | 51.2 Ų | 51.2 | 47% | 0.474 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -59.3 | -32.7 | 178.2 | -71.4 | -75.7 | 0 | 0 | 0 | 113.4 | L24 P111 | L24-F129 HydrophobicContact CD2-CB 3.93Å; L24-F129 HydrophobicContact CD2-CD2 4.03Å; L24-F129 HydrophobicContact CD2-CG 4.08Å; P111-F129 HydrophobicContact CB-CD1 4.22Å; P111-F129 HydrophobicContact CB-CD2 4.36Å; P111-F129 HydrophobicContact CB-CE1 3.56Å; P111-F129 HydrophobicContact CB-CE2 3.74Å; P111-F129 HydrophobicContact CB-CZ 3.31Å; P111-F129 HydrophobicContact CG-CD1 4.07Å; P111-F129 HydrophobicContact CG-CD2 4.1Å; P111-F129 HydrophobicContact CG-CE1 3.94Å; P111-F129 HydrophobicContact CG-CE2 3.97Å; P111-F129 HydrophobicContact CG-CG 4.17Å; P111-F129 HydrophobicContact CG-CZ 3.91Å |
| 130 | V | 64.8 | Low | 69.5 | Low | 36 Ų | 36 | 52 Ų | 52 | 22% | 0.218 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 109.9 | -179.9 | -179.2 | 0 | 0 | 0 | 0 | 108.9 | L24 T26 T128 V132 | L24-V130 HydrophobicContact CB-CG2 3.99Å; L24-V130 HydrophobicContact CD1-CG2 3.53Å; L24-V130 HydrophobicContact CG-CG2 4.36Å; T26-V130 WeakPolarHBondContact CA-O 3.13Å; T26-V130 HydrophobicContact CG2-CB 4.03Å; T26-V130 HydrophobicContact CG2-CG1 4.04Å; T128-V130 PolarHBondContact O-N 2.83Å; V130-V132 HydrophobicContact CG1-CG2 4.24Å |
| 131 | D | 61.7 | Low | 69.5 | Low | 37 Ų | 37 | 52.4 Ų | 52.4 | 20% | 0.198 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 119.8 | 165.2 | -66.9 | -36.2 | 0 | 0 | 0 | 108.1 | R27 K119 T128 G133 | R27-D131 IonicContact CZ-OD1 3.39Å; R27-D131 IonicContact NE-OD1 3.54Å; R27-D131 PolarHBondContact NE-OD1 3.18Å; R27-D131 IonicContact NH2-OD1 2.61Å; R27-D131 PolarHBondContact NH2-OD1 2.87Å; R27-D131 IonicContact NH2-OD2 2.68Å; R27-D131 PolarHBondContact NH2-OD2 3.06Å; K119-D131 IonicContact NZ-OD2 3.15Å; K119-D131 PolarHBondContact NZ-OD2 2.52Å; T128-D131 PolarHBondContact OG1-OD1 2.7Å; D131-G133 PolarHBondContact O-N 2.98Å |
| 132 | V | 51.2 | Low | 69.2 | Low | 47 Ų | 47 | 54.3 Ų | 54.3 | 29% | 0.285 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 88.8 | 169.6 | -177.8 | 0 | 0 | 0 | 0 | 107.1 | T26 R27 V130 F136 | T26-V132 HydrophobicContact CG2-CG2 4.09Å; R27-V132 PolarHBondContact O-N 3.26Å; V130-V132 HydrophobicContact CG1-CG2 4.24Å; V132-F136 HydrophobicContact CG1-CE2 4.34Å |
| 133 | G | 50.3 | Low | 69 | Low | 20 Ų | 20 | 54.8 Ų | 54.8 | 21% | 0.206 | 33% | 0.329 | C | S | . | . | trans | -111 | 174 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | D131 N135 | D131-G133 PolarHBondContact O-N 2.98Å; G133-N135 PolarHBondContact O-N 3.27Å | ||
| 134 | N | 46.8 | Very low | 69.1 | Low | 131 Ų | 131 | 55.6 Ų | 55.6 | 70% | 0.701 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -67.4 | -19.5 | 176.6 | -74.3 | -31.2 | 0 | 0 | 0 | 113 | Q31 | Q31-N134 PolarHBondContact NE2-ND2 2.67Š|
| 135 | N | 44.6 | Very low | 69.4 | Low | 96 Ų | 96 | 54.4 Ų | 54.4 | 51% | 0.513 | 32% | 0.32 | S | S | . | . | trans | -112.3 | 75.4 | 178.5 | -82.5 | -34.6 | 0 | 0 | 0 | 111.4 | G133 A137 G138 E142 | G133-N135 PolarHBondContact O-N 3.27Å; N135-A137 PolarHBondContact O-N 2.7Å; N135-G138 PolarHBondContact O-N 2.86Å; N135-G138 VanDerWaalsContact O-N 3.1Å; N135-E142 PolarHBondContact ND2-OE1 2.92Å | ||
| 136 | F | 47.9 | Very low | 69.9 | Low | 157 Ų | 157 | 53.5 Ų | 53.5 | 69% | 0.689 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -16.3 | 170.8 | -105.6 | -91 | 0 | 0 | 0 | 114.2 | V132 | V132-F136 HydrophobicContact CG1-CE2 4.34Š|
| 137 | A | 47.6 | Very low | 70.4 | Confident | 110 Ų | 110 | 47.7 Ų | 47.7 | 91% | 0.909 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.6 | -8.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | N135 | N135-A137 PolarHBondContact O-N 2.7Š|
| 138 | G | 59.1 | Low | 71 | Confident | 41 Ų | 41 | 48.5 Ų | 48.5 | 42% | 0.423 | 29% | 0.286 | S | S | . | . | trans | -112.7 | 134.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112 | N135 | N135-G138 PolarHBondContact O-N 2.86Å; N135-G138 VanDerWaalsContact O-N 3.1Å | ||
| 139 | S | 73.1 | Confident | 71.6 | Confident | 51 Ų | 51 | 48.8 Ų | 48.8 | 36% | 0.357 | 29% | 0.287 | S | S | . | . | trans | -79.9 | -6.7 | 166.8 | 47.1 | 0 | 0 | 0 | 0 | 112.9 | S167 L168 | S139-S167 VanDerWaalsContact OG-CB 3.29Å; S139-S167 WeakPolarHBondContact OG-CB 3.27Å; S139-L168 WeakPolarHBondContact O-CD2 3.4Å | ||
| 140 | A | 86.3 | Confident | 72.5 | Confident | 35 Ų | 35 | 45.2 Ų | 45.2 | 29% | 0.289 | 27% | 0.272 | S | S | . | . | trans | -58.9 | 135.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | S167 L168 P170 | A140-S167 VanDerWaalsContact CA-O 3.3Å; A140-S167 WeakPolarHBondContact CA-O 3.46Å; A140-S167 PolarHBondContact N-O 2.99Å; A140-L168 WeakPolarHBondContact CA-O 3.4Å; A140-P170 HydrophobicContact CB-CG 4Å | ||
| 141 | I | 86 | Confident | 73.8 | Confident | 12 Ų | 12 | 46.4 Ų | 46.4 | 6% | 0.062 | 28% | 0.277 | C | S | . | . | trans | -75.9 | 130.1 | 173.6 | -69 | 163.1 | 0 | 0 | 0 | 108.4 | K119 T123 E143 N145 L168 F169 | K119-I141 HydrophobicContact CG-CD1 3.84Å; K119-I141 HydrophobicContact CG-CG1 3.94Å; T123-I141 HydrophobicContact CG2-CD1 4.45Å; T123-I141 HydrophobicContact CG2-CG2 3.65Å; I141-E143 HydrophobicContact CG2-CB 4.5Å; I141-N145 HydrophobicContact CG2-CB 4.37Å; I141-L168 HydrophobicContact CD1-CB 4.12Å; I141-L168 HydrophobicContact CD1-CD2 4.03Å; I141-L168 HydrophobicContact CD1-CG 4.49Å; I141-L168 HydrophobicContact CG1-CD2 4.07Å; I141-L168 PolarHBondContact N-O 3.4Å; I141-F169 HydrophobicContact CB-CE1 4.26Å; I141-F169 HydrophobicContact CD1-CE1 3.78Å; I141-F169 HydrophobicContact CD1-CE2 3.82Å; I141-F169 HydrophobicContact CD1-CZ 3.28Å; I141-F169 HydrophobicContact CG1-CZ 4.48Å | ||
| 142 | E | 84 | Confident | 75.1 | Confident | 50 Ų | 50 | 50.1 Ų | 50.1 | 23% | 0.234 | 30% | 0.295 | C | S | . | . | trans | -111.9 | -13.8 | 178.1 | -58.7 | -174 | 149.4 | 0 | 0 | 112.3 | Q31 N135 | Q31-E142 HydrophobicContact CG-CB 4.18Å; Q31-E142 PolarHBondContact NE2-OE2 3.4Å; N135-E142 PolarHBondContact ND2-OE1 2.92Å | ||
| 143 | E | 85.6 | Confident | 76.7 | Confident | 20 Ų | 20 | 51.5 Ų | 51.5 | 9% | 0.093 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -76.4 | 159.5 | 177.6 | -53.5 | 99.1 | 115.7 | 0 | 0 | 111.9 | R27 T29 T123 I141 N145 | R27-E143 IonicContact CZ-OE1 3.77Å; R27-E143 IonicContact NH1-OE1 3.68Å; R27-E143 PolarHBondContact NH1-OE1 3.12Å; R27-E143 IonicContact NH2-OE1 3.94Å; R27-E143 PolarHBondContact NH2-OE1 3.24Å; T29-E143 HydrophobicContact CG2-CG 4.02Å; T29-E143 WeakPolarHBondContact CG2-OE1 3.3Å; T123-E143 HydrophobicContact CG2-CB 4.34Å; I141-E143 HydrophobicContact CG2-CB 4.5Å; E143-N145 PolarHBondContact O-N 2.93Å; E143-N145 PolarHBondContact O-ND2 3.15Å |
| 144 | D | 88.5 | Confident | 78.6 | Confident | 25 Ų | 25 | 53.6 Ų | 53.6 | 13% | 0.134 | 32% | 0.32 | C | S | . | . | trans | -52.8 | 129.8 | 170.4 | -163.7 | 11.9 | 0 | 0 | 0 | 111.7 | L32 S34 T123 Q149 | L32-D144 WeakPolarHBondContact O-CB 3.4Å; S34-D144 WeakPolarHBondContact CB-OD2 3.17Å; S34-D144 PolarHBondContact N-OD2 2.92Å; S34-D144 PolarHBondContact OG-OD2 3.44Å; T123-D144 WeakPolarHBondContact CA-O 3.26Å; D144-Q149 VanDerWaalsContact OD1-CG 3.3Å; D144-Q149 WeakPolarHBondContact OD1-CG 3.48Å; D144-Q149 PolarHBondContact OD1-NE2 2.99Å; D144-Q149 PolarHBondContact OD2-NE2 3.26Å | ||
| 145 | N | 90.2 | Very high | 80.8 | Confident | 3 Ų | 3 | 51 Ų | 51 | 2% | 0.016 | 30% | 0.303 | C | S | . | . | trans | -151.1 | 161.5 | -175.4 | 67.5 | 80.8 | 0 | 0 | 0 | 111.1 | L122 T123 I141 E143 I147 D148 Q149 F169 | L122-N145 VanDerWaalsContact O-CA 3.23Å; L122-N145 WeakPolarHBondContact O-CA 3.29Å; L122-N145 WeakPolarHBondContact O-CB 3.34Å; T123-N145 HydrophobicContact CG2-CB 4.15Å; I141-N145 HydrophobicContact CG2-CB 4.37Å; E143-N145 PolarHBondContact O-N 2.93Å; E143-N145 PolarHBondContact O-ND2 3.15Å; N145-I147 VanDerWaalsContact C-N 3.28Å; N145-I147 PolarHBondContact O-N 3.1Å; N145-I147 WeakPolarHBondContact OD1-CB 2.98Å; N145-I147 PolarHBondContact OD1-N 3.33Å; N145-D148 PolarHBondContact ND2-OD2 3.3Å; N145-D148 PolarHBondContact O-N 3.18Å; N145-D148 PolarHBondContact OD1-N 3.19Å; N145-Q149 VanDerWaalsContact O-CG 3.32Å; N145-Q149 WeakPolarHBondContact O-CG 3.5Å; N145-Q149 PolarHBondContact O-N 3Å; N145-F169 HydrophobicContact CB-CE1 4.39Å; N145-F169 WeakPolarHBondContact OD1-CE1 2.82Å | ||
| 146 | I | 90.8 | Very high | 83.2 | Confident | 11 Ų | 11 | 50.9 Ų | 50.9 | 6% | 0.056 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.3 | -35.5 | -174.4 | -62.1 | 174.9 | 0 | 0 | 0 | 111.9 | L122 M150 I316 K317 I320 | L122-I146 PolarHBondContact O-N 3.5Å; I146-M150 HydrophobicContact CG2-CG 4.39Å; I146-M150 WeakPolarHBondContact O-CB 2.85Å; I146-M150 WeakPolarHBondContact O-CG 3.47Å; I146-M150 PolarHBondContact O-N 3.49Å; I146-I316 HydrophobicContact CD1-CG2 3.78Å; I146-K317 HydrophobicContact CD1-CG 4.34Å; I146-I320 HydrophobicContact CD1-CD1 3.87Å; I146-I320 HydrophobicContact CG2-CD1 4.2Å; I146-I320 HydrophobicContact CG2-CG2 4.01Å |
| 147 | I | 92.7 | Very high | 85.5 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -68.2 | -47.1 | -178.7 | -67 | 175.8 | 0 | 0 | 0 | 110.3 | L122 N145 M150 I151 W165 F169 K172 F173 I211 | L122-I147 HydrophobicContact CD1-CD1 4.43Å; N145-I147 VanDerWaalsContact C-N 3.28Å; N145-I147 PolarHBondContact O-N 3.1Å; N145-I147 WeakPolarHBondContact OD1-CB 2.98Å; N145-I147 PolarHBondContact OD1-N 3.33Å; I147-M150 PolarHBondContact O-N 2.85Å; I147-I151 HydrophobicContact CG2-CD1 3.7Å; I147-I151 WeakPolarHBondContact O-CD1 3.22Å; I147-I151 VanDerWaalsContact O-CG1 3.28Å; I147-I151 WeakPolarHBondContact O-CG1 3.49Å; I147-I151 PolarHBondContact O-N 3.28Å; I147-W165 HydrophobicContact CD1-CE3 4.33Å; I147-W165 HydrophobicContact CD1-CZ3 4.03Å; I147-F169 HydrophobicContact CB-CD1 4.13Å; I147-F169 HydrophobicContact CB-CE1 4.16Å; I147-F169 HydrophobicContact CD1-CD1 3.83Å; I147-F169 HydrophobicContact CD1-CD2 3.68Å; I147-F169 HydrophobicContact CD1-CE1 3.84Å; I147-F169 HydrophobicContact CD1-CE2 3.7Å; I147-F169 HydrophobicContact CD1-CG 3.73Å; I147-F169 HydrophobicContact CD1-CZ 3.76Å; I147-F169 HydrophobicContact CG1-CE1 4.38Å; I147-F169 HydrophobicContact CG2-CD1 4.28Å; I147-K172 HydrophobicContact CG2-CB 3.87Å; I147-F173 HydrophobicContact CD1-CE1 3.73Å; I147-F173 HydrophobicContact CD1-CZ 3.81Å; I147-F173 HydrophobicContact CG2-CE1 4.45Å; I147-I211 HydrophobicContact CD1-CD1 4.21Å; I147-I211 HydrophobicContact CG1-CD1 4.43Å |
| 148 | D | 91.7 | Very high | 87.9 | Confident | 20 Ų | 20 | 38.2 Ų | 38.2 | 11% | 0.107 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.7 | -42 | 177 | -77.7 | -27.2 | 0 | 0 | 0 | 112 | N145 M150 I151 I152 K172 | N145-D148 PolarHBondContact ND2-OD2 3.3Å; N145-D148 PolarHBondContact O-N 3.18Å; N145-D148 PolarHBondContact OD1-N 3.19Å; D148-M150 VanDerWaalsContact C-N 3.3Å; D148-M150 PolarHBondContact O-N 2.88Å; D148-I151 PolarHBondContact O-N 2.8Å; D148-I152 WeakPolarHBondContact O-CB 3.33Å; D148-I152 VanDerWaalsContact O-CG1 3.24Å; D148-I152 WeakPolarHBondContact O-CG1 3.18Å; D148-I152 PolarHBondContact O-N 3.27Å; D148-K172 WeakPolarHBondContact OD1-CD 3.32Å; D148-K172 VanDerWaalsContact OD1-CE 3.25Å; D148-K172 WeakPolarHBondContact OD1-CE 3.49Å; D148-K172 IonicContact OD1-NZ 3.2Å; D148-K172 PolarHBondContact OD1-NZ 3.06Å; D148-K172 IonicContact OD2-NZ 3.53Å |
| 149 | Q | 89.5 | Confident | 89.8 | Confident | 14 Ų | 14 | 36.3 Ų | 36.3 | 7% | 0.065 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.2 | -40.8 | 174.6 | -72.9 | -66.4 | -22.6 | 0 | 0 | 112.4 | S34 D144 N145 Q153 | S34-Q149 PolarHBondContact O-NE2 3.45Å; D144-Q149 VanDerWaalsContact OD1-CG 3.3Å; D144-Q149 WeakPolarHBondContact OD1-CG 3.48Å; D144-Q149 PolarHBondContact OD1-NE2 2.99Å; D144-Q149 PolarHBondContact OD2-NE2 3.26Å; N145-Q149 VanDerWaalsContact O-CG 3.32Å; N145-Q149 WeakPolarHBondContact O-CG 3.5Å; N145-Q149 PolarHBondContact O-N 3Å; Q149-Q153 VanDerWaalsContact O-CG 3.31Å; Q149-Q153 WeakPolarHBondContact O-CG 3.31Å; Q149-Q153 PolarHBondContact O-N 3.13Å |
| 150 | M | 89.8 | Confident | 91 | Very high | 34 Ų | 34 | 33.9 Ų | 33.9 | 17% | 0.167 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.2 | -46.2 | 175.4 | -71.6 | -66.8 | -82.6 | 0 | 0 | 111.4 | I146 I147 D148 Q153 G154 K155 V157 D208 L209 | I146-M150 HydrophobicContact CG2-CG 4.39Å; I146-M150 WeakPolarHBondContact O-CB 2.85Å; I146-M150 WeakPolarHBondContact O-CG 3.47Å; I146-M150 PolarHBondContact O-N 3.49Å; I147-M150 PolarHBondContact O-N 2.85Å; D148-M150 VanDerWaalsContact C-N 3.3Å; D148-M150 PolarHBondContact O-N 2.88Å; M150-Q153 CarbonylContact O-C 3.59Å; M150-Q153 PolarHBondContact O-N 3.26Å; M150-G154 PolarHBondContact O-N 3.23Å; M150-K155 HydrophobicContact CB-CB 4.11Å; M150-K155 HydrophobicContact CE-CB 3.84Å; M150-K155 HydrophobicContact CE-CG 4.06Å; M150-K155 WeakPolarHBondContact O-CA 3.45Å; M150-K155 WeakPolarHBondContact O-CB 3.45Å; M150-K155 WeakPolarHBondContact O-CG 3.25Å; M150-K155 PolarHBondContact O-N 3.15Å; M150-K155 HydrophobicContact SD-CB 4.28Å; M150-K155 HydrophobicContact SD-CG 4.15Å; M150-V157 HydrophobicContact CB-CG2 3.83Å; M150-D208 HydrophobicContact CE-CB 4.02Å; M150-L209 HydrophobicContact CE-CB 3.88Å; M150-L209 HydrophobicContact CG-CD2 4.4Å |
| 151 | I | 91.8 | Very high | 91.5 | Very high | 61 Ų | 61 | 32.2 Ų | 32.2 | 31% | 0.313 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -65.2 | -43.5 | -178.8 | -67.2 | 161.6 | 0 | 0 | 0 | 111.6 | I147 D148 Q153 G154 V157 K172 | I147-I151 HydrophobicContact CG2-CD1 3.7Å; I147-I151 WeakPolarHBondContact O-CD1 3.22Å; I147-I151 VanDerWaalsContact O-CG1 3.28Å; I147-I151 WeakPolarHBondContact O-CG1 3.49Å; I147-I151 PolarHBondContact O-N 3.28Å; D148-I151 PolarHBondContact O-N 2.8Å; I151-Q153 PolarHBondContact O-N 3.18Å; I151-G154 WeakPolarHBondContact O-CA 3.45Å; I151-G154 PolarHBondContact O-N 3.16Å; I151-V157 HydrophobicContact CG1-CG2 4.45Å; I151-K172 HydrophobicContact CD1-CB 3.61Å; I151-K172 HydrophobicContact CD1-CD 3.99Å; I151-K172 HydrophobicContact CD1-CG 4.3Å; I151-K172 WeakPolarHBondContact CD1-O 3.18Å |
| 152 | I | 88.9 | Confident | 91.9 | Very high | 114 Ų | 114 | 31.8 Ų | 31.8 | 59% | 0.585 | 17% | 0.169 | S | C | * | . | H | α-helix | trans | -59.7 | -34.7 | 177.6 | -71.3 | 165.8 | 0 | 0 | 0 | 110.9 | T33 D148 G154 | T33-I152 HydrophobicContact CG2-CD1 3.76Å; D148-I152 WeakPolarHBondContact O-CB 3.33Å; D148-I152 VanDerWaalsContact O-CG1 3.24Å; D148-I152 WeakPolarHBondContact O-CG1 3.18Å; D148-I152 PolarHBondContact O-N 3.27Å; I152-G154 PolarHBondContact O-N 3.33Å |
| 153 | Q | 86.1 | Confident | 92.4 | Very high | 76 Ų | 76 | 31.7 Ų | 31.7 | 36% | 0.355 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | 10.1 | 174.4 | -66 | -178.9 | 23.2 | 0 | 0 | 113.9 | Q149 M150 I151 K155 | Q149-Q153 VanDerWaalsContact O-CG 3.31Å; Q149-Q153 WeakPolarHBondContact O-CG 3.31Å; Q149-Q153 PolarHBondContact O-N 3.13Å; M150-Q153 CarbonylContact O-C 3.59Å; M150-Q153 PolarHBondContact O-N 3.26Å; I151-Q153 PolarHBondContact O-N 3.18Å; Q153-K155 VanDerWaalsContact C-N 3.25Å; Q153-K155 HydrophobicContact CB-CG 4.15Å; Q153-K155 PolarHBondContact O-N 3.03Å |
| 154 | G | 90.5 | Very high | 92.7 | Very high | 64 Ų | 64 | 32 Ų | 32 | 66% | 0.66 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70.3 | 18.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | M150 I151 I152 | M150-G154 PolarHBondContact O-N 3.23Å; I151-G154 WeakPolarHBondContact O-CA 3.45Å; I151-G154 PolarHBondContact O-N 3.16Å; I152-G154 PolarHBondContact O-N 3.33Å |
| 155 | K | 91.7 | Very high | 93 | Very high | 77 Ų | 77 | 31 Ų | 31 | 34% | 0.335 | 17% | 0.168 | S | C | . | . | trans | -84.1 | 150.5 | 179.3 | -55.9 | -62 | -169 | 168.4 | 0 | 111.4 | M150 Q153 D208 | M150-K155 HydrophobicContact CB-CB 4.11Å; M150-K155 HydrophobicContact CE-CB 3.84Å; M150-K155 HydrophobicContact CE-CG 4.06Å; M150-K155 WeakPolarHBondContact O-CA 3.45Å; M150-K155 WeakPolarHBondContact O-CB 3.45Å; M150-K155 WeakPolarHBondContact O-CG 3.25Å; M150-K155 PolarHBondContact O-N 3.15Å; M150-K155 HydrophobicContact SD-CB 4.28Å; M150-K155 HydrophobicContact SD-CG 4.15Å; Q153-K155 VanDerWaalsContact C-N 3.25Å; Q153-K155 HydrophobicContact CB-CG 4.15Å; Q153-K155 PolarHBondContact O-N 3.03Å; K155-D208 WeakPolarHBondContact CA-OD2 3.36Å; K155-D208 HydrophobicContact CB-CB 3.95Å; K155-D208 HydrophobicContact CD-CB 4.13Å; K155-D208 HydrophobicContact CG-CB 4.48Å; K155-D208 IonicContact NZ-OD1 3.66Å | ||
| 156 | K | 95.6 | Very high | 93.1 | Very high | 94 Ų | 94 | 34 Ų | 34 | 41% | 0.409 | 18% | 0.184 | S | C | . | . | trans | -96.7 | 122.3 | -179.1 | -66.3 | 178.8 | -175.8 | 178 | 0 | 110.6 | T174 D206 D208 L209 | K156-T174 WeakPolarHBondContact CA-OG1 3.47Å; K156-T174 HydrophobicContact CB-CG2 4.45Å; K156-T174 HydrophobicContact CD-CG2 4.46Å; K156-T174 HydrophobicContact CG-CG2 4.33Å; K156-D206 WeakPolarHBondContact CD-O 3.46Å; K156-D208 PolarHBondContact N-OD2 3.06Å; K156-D208 PolarHBondContact O-N 3.41Å; K156-L209 PolarHBondContact O-N 3.09Å; K156-L209 VanDerWaalsContact O-N 3.08Å | ||
| 157 | V | 96.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 123.2 | 177.9 | -169.2 | 0 | 0 | 0 | 0 | 109.1 | M150 I151 F173 T174 L209 I211 | M150-V157 HydrophobicContact CB-CG2 3.83Å; I151-V157 HydrophobicContact CG1-CG2 4.45Å; V157-F173 HydrophobicContact CB-CD1 4.2Å; V157-F173 HydrophobicContact CG1-CD1 3.74Å; V157-F173 HydrophobicContact CG1-CE1 3.89Å; V157-T174 PolarHBondContact N-OG1 3.09Å; V157-T174 PolarHBondContact O-N 2.63Å; V157-L209 WeakPolarHBondContact CA-O 3.39Å; V157-L209 HydrophobicContact CG1-CB 4.17Å; V157-L209 HydrophobicContact CG1-CD2 3.96Å; V157-L209 HydrophobicContact CG1-CG 4.1Å; V157-L209 HydrophobicContact CG2-CB 4.3Å; V157-L209 HydrophobicContact CG2-CD2 4.44Å; V157-I211 HydrophobicContact CG1-CD1 4.1Å |
| 158 | V | 97.6 | Very high | 93.1 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.006 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 133 | 177 | 176 | 0 | 0 | 0 | 0 | 109 | R175 E201 W207 L209 L210 I211 | V158-R175 WeakPolarHBondContact CA-O 3.45Å; V158-R175 HydrophobicContact CG1-CB 4.2Å; V158-R175 HydrophobicContact CG2-CB 4.28Å; V158-E201 HydrophobicContact CG1-CG 4.27Å; V158-W207 HydrophobicContact CB-CB 4.37Å; V158-W207 HydrophobicContact CG2-CB 3.73Å; V158-L209 PolarHBondContact N-O 2.88Å; V158-L210 HydrophobicContact CB-CD1 3.73Å; V158-L210 HydrophobicContact CG1-CD1 3.58Å; V158-L210 CarbonylContact O-C 3.5Å; V158-L210 WeakPolarHBondContact O-CA 3.35Å; V158-I211 PolarHBondContact O-N 3.41Å |
| 159 | F | 98.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 144.9 | -176.7 | 169.6 | -103.9 | 0 | 0 | 0 | 112.3 | D162 W165 L166 F173 R175 A176 R177 A178 I211 H213 | F159-D162 WeakPolarHBondContact CZ-O 3.28Å; F159-W165 HydrophobicContact CD1-CB 4.19Å; F159-W165 HydrophobicContact CD2-CB 4.28Å; F159-W165 AromaticContact CD2-CD2 3.93Å; F159-W165 HydrophobicContact CD2-CD2 3.93Å; F159-W165 HydrophobicContact CD2-CE3 4.06Å; F159-W165 HydrophobicContact CD2-CG 4.07Å; F159-W165 HydrophobicContact CE1-CB 3.61Å; F159-W165 HydrophobicContact CE1-CG 4.09Å; F159-W165 HydrophobicContact CE2-CB 3.72Å; F159-W165 AromaticContact CE2-CD1 3.57Å; F159-W165 AromaticContact CE2-CD2 3.44Å; F159-W165 HydrophobicContact CE2-CD2 3.44Å; F159-W165 VanDerWaalsContact CE2-CD2 3.44Å; F159-W165 AromaticContact CE2-CE2 3.78Å; F159-W165 HydrophobicContact CE2-CE3 4.05Å; F159-W165 AromaticContact CE2-CG 3.29Å; F159-W165 HydrophobicContact CE2-CG 3.29Å; F159-W165 AromaticContact CE2-NE1 3.85Å; F159-W165 HydrophobicContact CZ-CB 3.36Å; F159-W165 AromaticContact CZ-CD1 3.48Å; F159-W165 VanDerWaalsContact CZ-CD1 3.48Å; F159-W165 HydrophobicContact CZ-CD2 4.01Å; F159-W165 AromaticContact CZ-CG 3.32Å; F159-W165 HydrophobicContact CZ-CG 3.32Å; F159-L166 HydrophobicContact CD1-CD2 4.42Å; F159-F173 HydrophobicContact CB-CB 4.45Å; F159-F173 HydrophobicContact CB-CD1 3.49Å; F159-F173 VanDerWaalsContact CB-CD1 3.49Å; F159-F173 HydrophobicContact CB-CD2 3.96Å; F159-F173 HydrophobicContact CB-CE1 3.59Å; F159-F173 HydrophobicContact CB-CE2 4.04Å; F159-F173 HydrophobicContact CB-CG 3.69Å; F159-F173 HydrophobicContact CB-CZ 3.87Å; F159-F173 HydrophobicContact CD1-CD2 4.39Å; F159-F173 HydrophobicContact CD1-CE2 4.19Å; F159-F173 HydrophobicContact CD2-CZ 4.47Å; F159-F173 HydrophobicContact CG-CD1 4.49Å; F159-F173 HydrophobicContact CG-CD2 4.39Å; F159-F173 HydrophobicContact CG-CE1 4.22Å; F159-F173 HydrophobicContact CG-CE2 4.11Å; F159-F173 HydrophobicContact CG-CZ 4.02Å; F159-R175 PolarHBondContact N-O 3.18Å; F159-A176 HydrophobicContact CD1-CB 4.19Å; F159-A176 CarbonylContact O-C 3.57Å; F159-A176 VanDerWaalsContact O-CA 3.29Å; F159-A176 WeakPolarHBondContact O-CA 3.36Å; F159-R177 PolarHBondContact O-N 2.91Å; F159-A178 HydrophobicContact CE1-CB 4.47Å; F159-I211 CarbonylContact C-O 3.1Å; F159-I211 WeakPolarHBondContact CA-O 3.44Å; F159-I211 HydrophobicContact CD2-CB 4.03Å; F159-I211 HydrophobicContact CD2-CG2 3.88Å; F159-I211 HydrophobicContact CE2-CG2 4.3Å; F159-H213 HydrophobicContact CE2-CB 4.31Å |
| 160 | M | 98.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 141 | 165 | 61.4 | -167.4 | 82.3 | 0 | 0 | 111.6 | R177 V194 L198 E201 L210 I211 A212 H213 | M160-R177 CarbonylContact C-O 3.56Å; M160-R177 VanDerWaalsContact CA-O 3.22Å; M160-R177 WeakPolarHBondContact CA-O 3.14Å; M160-R177 HydrophobicContact CB-CB 4.04Å; M160-V194 HydrophobicContact CB-CG2 4.36Å; M160-V194 HydrophobicContact CG-CB 4.41Å; M160-V194 HydrophobicContact CG-CG1 3.88Å; M160-V194 HydrophobicContact CG-CG2 4.18Å; M160-V194 HydrophobicContact SD-CG1 3.92Å; M160-L198 HydrophobicContact CE-CD1 4.33Å; M160-L198 VanDerWaalsContact SD-CA 3.52Å; M160-L198 HydrophobicContact SD-CB 3.83Å; M160-L198 HydrophobicContact SD-CD1 3.93Å; M160-E201 HydrophobicContact CE-CB 3.84Å; M160-E201 HydrophobicContact CE-CG 3.58Å; M160-L210 HydrophobicContact CE-CD1 3.73Å; M160-I211 PolarHBondContact N-O 3.2Å; M160-A212 HydrophobicContact CG-CB 3.98Å; M160-A212 CarbonylContact O-C 3.54Å; M160-A212 VanDerWaalsContact O-CA 3.24Å; M160-A212 WeakPolarHBondContact O-CA 3.13Å; M160-H213 PolarHBondContact O-N 3.27Å |
| 161 | G | 98.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 142 | -145.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | R177 A178 F179 H213 | G161-R177 PolarHBondContact N-O 3.12Å; G161-A178 CarbonylContact O-C 3.6Å; G161-A178 VanDerWaalsContact O-CA 3.26Å; G161-A178 WeakPolarHBondContact O-CA 3.42Å; G161-F179 WeakPolarHBondContact O-CD2 3.43Å; G161-F179 PolarHBondContact O-N 3.13Å; G161-H213 VanDerWaalsContact CA-O 3.25Å; G161-H213 WeakPolarHBondContact CA-O 3.21Å |
| 162 | D | 93.7 | Very high | 93.7 | Very high | 4 Ų | 4 | 45.6 Ų | 45.6 | 2% | 0.021 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -52.2 | 132.3 | 176.2 | 175 | 1.1 | 0 | 0 | 0 | 113.8 | F159 T164 W165 S181 H213 L215 | F159-D162 WeakPolarHBondContact CZ-O 3.28Å; D162-T164 PolarHBondContact O-N 3.46Å; D162-T164 WeakPolarHBondContact OD1-CB 3.37Å; D162-T164 PolarHBondContact OD1-N 3.35Å; D162-T164 PolarHBondContact OD1-OG1 2.83Å; D162-T164 WeakPolarHBondContact OD2-CB 3.46Å; D162-T164 PolarHBondContact OD2-OG1 3.5Å; D162-W165 PolarHBondContact O-N 2.88Å; D162-S181 WeakPolarHBondContact OD1-CB 3.45Å; D162-S181 PolarHBondContact OD1-OG 2.82Å; D162-H213 WeakPolarHBondContact CB-ND1 3.29Å; D162-H213 IonicContact OD2-CE1 2.72Å; D162-H213 IonicContact OD2-ND1 2.71Å; D162-L215 HydrophobicContact CB-CD1 4.02Å; D162-L215 HydrophobicContact CB-CD2 4.16Å; D162-L215 HydrophobicContact CB-CG 4.27Å |
| 163 | D | 94.4 | Very high | 94.1 | Very high | 48 Ų | 48 | 41.4 Ų | 41.4 | 26% | 0.257 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -15.4 | 176.9 | 60.9 | -3.9 | 0 | 0 | 0 | 115.6 | W165 L166 A178 F179 S181 | D163-W165 PolarHBondContact O-N 3.49Å; D163-L166 PolarHBondContact O-N 2.84Å; D163-A178 HydrophobicContact CB-CB 3.87Å; D163-F179 PolarHBondContact N-O 2.66Å; D163-F179 VanDerWaalsContact N-O 3.12Å; D163-S181 WeakPolarHBondContact OD1-CB 3.18Å; D163-S181 PolarHBondContact OD1-OG 2.94Å |
| 164 | T | 91 | Very high | 94.6 | Very high | 27 Ų | 27 | 41.1 Ų | 41.1 | 17% | 0.166 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -52.6 | -36.6 | 169.7 | -59.2 | 0 | 0 | 0 | 0 | 111.8 | L115 D162 L166 S167 L168 | L115-T164 HydrophobicContact CD1-CG2 3.51Å; D162-T164 PolarHBondContact O-N 3.46Å; D162-T164 WeakPolarHBondContact OD1-CB 3.37Å; D162-T164 PolarHBondContact OD1-N 3.35Å; D162-T164 PolarHBondContact OD1-OG1 2.83Å; D162-T164 WeakPolarHBondContact OD2-CB 3.46Å; D162-T164 PolarHBondContact OD2-OG1 3.5Å; T164-L166 VanDerWaalsContact C-N 3.28Å; T164-L166 PolarHBondContact O-N 2.8Å; T164-S167 WeakPolarHBondContact O-CB 3.43Å; T164-S167 PolarHBondContact O-N 2.78Å; T164-L168 HydrophobicContact CG2-CD1 4.06Å; T164-L168 HydrophobicContact CG2-CG 4.27Å; T164-L168 WeakPolarHBondContact O-CG 3.27Å; T164-L168 PolarHBondContact O-N 2.85Å |
| 165 | W | 95.1 | Very high | 94.9 | Very high | 4 Ų | 4 | 41.3 Ų | 41.3 | 2% | 0.015 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.2 | -33.4 | 177.5 | -75.5 | 75.8 | 0 | 0 | 0 | 113.3 | V64 L118 L122 I147 F159 D162 D163 S167 L168 F169 F173 I211 H213 | V64-W165 HydrophobicContact CG2-CZ2 4.22Å; L118-W165 HydrophobicContact CD1-CZ2 4.46Å; L118-W165 HydrophobicContact CD2-CH2 4.29Å; L118-W165 HydrophobicContact CD2-CZ2 3.48Å; L118-W165 VanDerWaalsContact CD2-CZ2 3.48Å; L122-W165 HydrophobicContact CD1-CE3 4.24Å; L122-W165 HydrophobicContact CD1-CH2 3.72Å; L122-W165 HydrophobicContact CD1-CZ3 3.48Å; L122-W165 VanDerWaalsContact CD1-CZ3 3.48Å; L122-W165 HydrophobicContact CD2-CH2 4.33Å; L122-W165 HydrophobicContact CD2-CZ3 4.38Å; I147-W165 HydrophobicContact CD1-CE3 4.33Å; I147-W165 HydrophobicContact CD1-CZ3 4.03Å; F159-W165 HydrophobicContact CD1-CB 4.19Å; F159-W165 HydrophobicContact CD2-CB 4.28Å; F159-W165 AromaticContact CD2-CD2 3.93Å; F159-W165 HydrophobicContact CD2-CD2 3.93Å; F159-W165 HydrophobicContact CD2-CE3 4.06Å; F159-W165 HydrophobicContact CD2-CG 4.07Å; F159-W165 HydrophobicContact CE1-CB 3.61Å; F159-W165 HydrophobicContact CE1-CG 4.09Å; F159-W165 HydrophobicContact CE2-CB 3.72Å; F159-W165 AromaticContact CE2-CD1 3.57Å; F159-W165 AromaticContact CE2-CD2 3.44Å; F159-W165 HydrophobicContact CE2-CD2 3.44Å; F159-W165 VanDerWaalsContact CE2-CD2 3.44Å; F159-W165 AromaticContact CE2-CE2 3.78Å; F159-W165 HydrophobicContact CE2-CE3 4.05Å; F159-W165 AromaticContact CE2-CG 3.29Å; F159-W165 HydrophobicContact CE2-CG 3.29Å; F159-W165 AromaticContact CE2-NE1 3.85Å; F159-W165 HydrophobicContact CZ-CB 3.36Å; F159-W165 AromaticContact CZ-CD1 3.48Å; F159-W165 VanDerWaalsContact CZ-CD1 3.48Å; F159-W165 HydrophobicContact CZ-CD2 4.01Å; F159-W165 AromaticContact CZ-CG 3.32Å; F159-W165 HydrophobicContact CZ-CG 3.32Å; D162-W165 PolarHBondContact O-N 2.88Å; D163-W165 PolarHBondContact O-N 3.49Å; W165-S167 VanDerWaalsContact C-N 3.27Å; W165-S167 PolarHBondContact O-N 2.96Å; W165-L168 PolarHBondContact O-N 2.82Å; W165-F169 HydrophobicContact CE3-CD2 4.13Å; W165-F169 HydrophobicContact CE3-CE2 4.15Å; W165-F169 HydrophobicContact CZ3-CE2 4.39Å; W165-F169 WeakPolarHBondContact O-CB 3.27Å; W165-F169 PolarHBondContact O-N 2.86Å; W165-F173 HydrophobicContact CE3-CZ 4.05Å; W165-I211 HydrophobicContact CE3-CG2 4.45Å; W165-I211 HydrophobicContact CH2-CD1 4.21Å; W165-I211 HydrophobicContact CH2-CG2 3.51Å; W165-I211 HydrophobicContact CZ2-CG2 3.88Å; W165-I211 HydrophobicContact CZ3-CD1 3.75Å; W165-I211 HydrophobicContact CZ3-CG2 3.83Å; W165-H213 AromaticContact CD1-ND1 3.77Å; W165-H213 AromaticContact NE1-CG 3.52Å; W165-H213 AromaticContact NE1-ND1 3.11Å; W165-H213 PolarHBondContact NE1-ND1 3.21Å; W165-H213 VanDerWaalsContact NE1-ND1 3.11Å |
| 166 | L | 94 | Very high | 95.2 | Very high | 66 Ų | 66 | 39.9 Ų | 39.9 | 35% | 0.346 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -73.9 | -24.4 | 177.6 | -64.7 | -168.9 | 0 | 0 | 0 | 112.7 | F159 D163 T164 P170 F173 A176 A178 | F159-L166 HydrophobicContact CD1-CD2 4.42Å; D163-L166 PolarHBondContact O-N 2.84Å; T164-L166 VanDerWaalsContact C-N 3.28Å; T164-L166 PolarHBondContact O-N 2.8Å; L166-P170 WeakPolarHBondContact O-CA 3.36Å; L166-F173 HydrophobicContact CD2-CD2 3.82Å; L166-F173 HydrophobicContact CD2-CE2 4.02Å; L166-A176 HydrophobicContact CD2-CB 3.75Å; L166-A178 HydrophobicContact CD1-CB 3.37Å; L166-A178 HydrophobicContact CG-CB 3.79Å |
| 167 | S | 91.1 | Very high | 95.4 | Very high | 61 Ų | 61 | 38.9 Ų | 38.9 | 43% | 0.427 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -80.7 | -37.2 | 175.8 | -54.5 | 0 | 0 | 0 | 0 | 110.8 | S139 A140 T164 W165 | S139-S167 VanDerWaalsContact OG-CB 3.29Å; S139-S167 WeakPolarHBondContact OG-CB 3.27Å; A140-S167 VanDerWaalsContact CA-O 3.3Å; A140-S167 WeakPolarHBondContact CA-O 3.46Å; A140-S167 PolarHBondContact N-O 2.99Å; T164-S167 WeakPolarHBondContact O-CB 3.43Å; T164-S167 PolarHBondContact O-N 2.78Å; W165-S167 VanDerWaalsContact C-N 3.27Å; W165-S167 PolarHBondContact O-N 2.96Å |
| 168 | L | 91.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -69.4 | -39.3 | 172.7 | -68.5 | 173.2 | 0 | 0 | 0 | 112.7 | L115 L118 K119 S139 A140 I141 T164 W165 P170 | L115-L168 HydrophobicContact CD1-CD1 4.36Å; L115-L168 HydrophobicContact CD1-CD2 3.74Å; L115-L168 HydrophobicContact CD1-CG 4.18Å; L118-L168 HydrophobicContact CB-CD1 3.95Å; L118-L168 HydrophobicContact CD1-CD1 4.1Å; K119-L168 HydrophobicContact CD-CD2 4.36Å; K119-L168 HydrophobicContact CG-CD2 3.91Å; S139-L168 WeakPolarHBondContact O-CD2 3.4Å; A140-L168 WeakPolarHBondContact CA-O 3.4Å; I141-L168 HydrophobicContact CD1-CB 4.12Å; I141-L168 HydrophobicContact CD1-CD2 4.03Å; I141-L168 HydrophobicContact CD1-CG 4.49Å; I141-L168 HydrophobicContact CG1-CD2 4.07Å; I141-L168 PolarHBondContact N-O 3.4Å; T164-L168 HydrophobicContact CG2-CD1 4.06Å; T164-L168 HydrophobicContact CG2-CG 4.27Å; T164-L168 WeakPolarHBondContact O-CG 3.27Å; T164-L168 PolarHBondContact O-N 2.85Å; W165-L168 PolarHBondContact O-N 2.82Å; L168-P170 WeakPolarHBondContact O-CD 3.18Å |
| 169 | F | 93.4 | Very high | 95.4 | Very high | 1 Ų | 1 | 42.5 Ų | 42.5 | 0% | 0.004 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -128.8 | 64 | -173.8 | -58.8 | -78 | 0 | 0 | 0 | 112.4 | L122 I141 N145 I147 W165 H171 K172 F173 | L122-F169 HydrophobicContact CB-CZ 4.02Å; L122-F169 HydrophobicContact CD1-CE2 3.32Å; L122-F169 HydrophobicContact CD1-CZ 3.39Å; L122-F169 HydrophobicContact CG-CZ 4.32Å; I141-F169 HydrophobicContact CB-CE1 4.26Å; I141-F169 HydrophobicContact CD1-CE1 3.78Å; I141-F169 HydrophobicContact CD1-CE2 3.82Å; I141-F169 HydrophobicContact CD1-CZ 3.28Å; I141-F169 HydrophobicContact CG1-CZ 4.48Å; N145-F169 HydrophobicContact CB-CE1 4.39Å; N145-F169 WeakPolarHBondContact OD1-CE1 2.82Å; I147-F169 HydrophobicContact CB-CD1 4.13Å; I147-F169 HydrophobicContact CB-CE1 4.16Å; I147-F169 HydrophobicContact CD1-CD1 3.83Å; I147-F169 HydrophobicContact CD1-CD2 3.68Å; I147-F169 HydrophobicContact CD1-CE1 3.84Å; I147-F169 HydrophobicContact CD1-CE2 3.7Å; I147-F169 HydrophobicContact CD1-CG 3.73Å; I147-F169 HydrophobicContact CD1-CZ 3.76Å; I147-F169 HydrophobicContact CG1-CE1 4.38Å; I147-F169 HydrophobicContact CG2-CD1 4.28Å; W165-F169 HydrophobicContact CE3-CD2 4.13Å; W165-F169 HydrophobicContact CE3-CE2 4.15Å; W165-F169 HydrophobicContact CZ3-CE2 4.39Å; W165-F169 WeakPolarHBondContact O-CB 3.27Å; W165-F169 PolarHBondContact O-N 2.86Å; F169-H171 PolarHBondContact O-N 3.1Å; F169-K172 HydrophobicContact CB-CB 3.99Å; F169-K172 HydrophobicContact CB-CG 3.83Å; F169-K172 PolarHBondContact O-N 2.89Å; F169-F173 HydrophobicContact CB-CE2 3.9Å; F169-F173 HydrophobicContact CB-CZ 3.97Å; F169-F173 HydrophobicContact CD2-CZ 4.31Å; F169-F173 HydrophobicContact CG-CZ 4.38Å |
| 170 | P | 93.1 | Very high | 95.2 | Very high | 52 Ų | 52 | 47.5 Ų | 47.5 | 34% | 0.338 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | 129.1 | -177.5 | 26.4 | -34.8 | 0 | 0 | 0 | 111 | A140 L166 L168 K172 | A140-P170 HydrophobicContact CB-CG 4Å; L166-P170 WeakPolarHBondContact O-CA 3.36Å; L168-P170 WeakPolarHBondContact O-CD 3.18Å; P170-K172 PolarHBondContact O-N 3Å; P170-K172 VanDerWaalsContact O-N 3.15Å |
| 171 | H | 93.7 | Very high | 94.8 | Very high | 196 Ų | 196 | 48 Ų | 48 | 91% | 0.907 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.9 | 22.3 | 176 | -48 | -67.7 | 0 | 0 | 0 | 115.8 | F169 | F169-H171 PolarHBondContact O-N 3.1Š|
| 172 | K | 94.8 | Very high | 94.4 | Very high | 73 Ų | 73 | 56.7 Ų | 56.7 | 32% | 0.317 | 30% | 0.299 | S | S | . | . | trans | -89.3 | -30.5 | -179 | -60.9 | -59.5 | -176.5 | 152.5 | 0 | 113.8 | I147 D148 I151 F169 P170 | I147-K172 HydrophobicContact CG2-CB 3.87Å; D148-K172 WeakPolarHBondContact OD1-CD 3.32Å; D148-K172 VanDerWaalsContact OD1-CE 3.25Å; D148-K172 WeakPolarHBondContact OD1-CE 3.49Å; D148-K172 IonicContact OD1-NZ 3.2Å; D148-K172 PolarHBondContact OD1-NZ 3.06Å; D148-K172 IonicContact OD2-NZ 3.53Å; I151-K172 HydrophobicContact CD1-CB 3.61Å; I151-K172 HydrophobicContact CD1-CD 3.99Å; I151-K172 HydrophobicContact CD1-CG 4.3Å; I151-K172 WeakPolarHBondContact CD1-O 3.18Å; F169-K172 HydrophobicContact CB-CB 3.99Å; F169-K172 HydrophobicContact CB-CG 3.83Å; F169-K172 PolarHBondContact O-N 2.89Å; P170-K172 PolarHBondContact O-N 3Å; P170-K172 VanDerWaalsContact O-N 3.15Å | ||
| 173 | F | 97.6 | Very high | 94.3 | Very high | 26 Ų | 26 | 60.9 Ų | 60.9 | 11% | 0.114 | 32% | 0.322 | C | S | . | . | trans | -81.9 | 136.9 | -173.9 | -57.4 | -67.1 | 0 | 0 | 0 | 112.9 | I147 V157 F159 W165 L166 F169 R175 A176 I211 | I147-F173 HydrophobicContact CD1-CE1 3.73Å; I147-F173 HydrophobicContact CD1-CZ 3.81Å; I147-F173 HydrophobicContact CG2-CE1 4.45Å; V157-F173 HydrophobicContact CB-CD1 4.2Å; V157-F173 HydrophobicContact CG1-CD1 3.74Å; V157-F173 HydrophobicContact CG1-CE1 3.89Å; F159-F173 HydrophobicContact CB-CB 4.45Å; F159-F173 HydrophobicContact CB-CD1 3.49Å; F159-F173 VanDerWaalsContact CB-CD1 3.49Å; F159-F173 HydrophobicContact CB-CD2 3.96Å; F159-F173 HydrophobicContact CB-CE1 3.59Å; F159-F173 HydrophobicContact CB-CE2 4.04Å; F159-F173 HydrophobicContact CB-CG 3.69Å; F159-F173 HydrophobicContact CB-CZ 3.87Å; F159-F173 HydrophobicContact CD1-CD2 4.39Å; F159-F173 HydrophobicContact CD1-CE2 4.19Å; F159-F173 HydrophobicContact CD2-CZ 4.47Å; F159-F173 HydrophobicContact CG-CD1 4.49Å; F159-F173 HydrophobicContact CG-CD2 4.39Å; F159-F173 HydrophobicContact CG-CE1 4.22Å; F159-F173 HydrophobicContact CG-CE2 4.11Å; F159-F173 HydrophobicContact CG-CZ 4.02Å; W165-F173 HydrophobicContact CE3-CZ 4.05Å; L166-F173 HydrophobicContact CD2-CD2 3.82Å; L166-F173 HydrophobicContact CD2-CE2 4.02Å; F169-F173 HydrophobicContact CB-CE2 3.9Å; F169-F173 HydrophobicContact CB-CZ 3.97Å; F169-F173 HydrophobicContact CD2-CZ 4.31Å; F169-F173 HydrophobicContact CG-CZ 4.38Å; F173-R175 PolarHBondContact O-N 3.49Å; F173-A176 HydrophobicContact CB-CB 3.97Å; F173-A176 HydrophobicContact CD2-CB 4.07Å; F173-A176 HydrophobicContact CG-CB 4.3Å; F173-I211 HydrophobicContact CE1-CD1 4.46Å | ||
| 174 | T | 96.9 | Very high | 94 | Very high | 69 Ų | 69 | 61.4 Ų | 61.4 | 42% | 0.423 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -61.3 | -37.2 | 170.6 | -53 | 0 | 0 | 0 | 0 | 111.1 | K156 V157 | K156-T174 WeakPolarHBondContact CA-OG1 3.47Å; K156-T174 HydrophobicContact CB-CG2 4.45Å; K156-T174 HydrophobicContact CD-CG2 4.46Å; K156-T174 HydrophobicContact CG-CG2 4.33Å; V157-T174 PolarHBondContact N-OG1 3.09Å; V157-T174 PolarHBondContact O-N 2.63Å |
| 175 | R | 97.5 | Very high | 94.1 | Very high | 68 Ų | 68 | 65.4 Ų | 65.4 | 26% | 0.257 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 137.6 | 168.5 | -67.8 | -174.8 | -65.2 | -85.5 | 5.3 | 108.9 | V158 F159 F173 E201 D206 | V158-R175 WeakPolarHBondContact CA-O 3.45Å; V158-R175 HydrophobicContact CG1-CB 4.2Å; V158-R175 HydrophobicContact CG2-CB 4.28Å; F159-R175 PolarHBondContact N-O 3.18Å; F173-R175 PolarHBondContact O-N 3.49Å; R175-E201 IonicContact CZ-OE2 2.66Å; R175-E201 IonicContact NE-OE1 3.32Å; R175-E201 IonicContact NE-OE2 2.76Å; R175-E201 PolarHBondContact NE-OE2 2.73Å; R175-E201 VanDerWaalsContact NE-OE2 3.15Å; R175-E201 IonicContact NH2-OE2 2.84Å; R175-E201 PolarHBondContact NH2-OE2 3.37Å; R175-D206 IonicContact CZ-OD1 3.81Å; R175-D206 IonicContact CZ-OD2 3.75Å; R175-D206 VanDerWaalsContact CZ-OD2 3.3Å; R175-D206 IonicContact NH1-OD1 3.39Å; R175-D206 IonicContact NH1-OD2 3.28Å; R175-D206 PolarHBondContact NH1-OD2 3.02Å; R175-D206 VanDerWaalsContact NH2-CG 3.26Å; R175-D206 IonicContact NH2-OD1 3.46Å; R175-D206 PolarHBondContact NH2-OD1 2.85Å; R175-D206 IonicContact NH2-OD2 3.11Å; R175-D206 PolarHBondContact NH2-OD2 2.92Å |
| 176 | A | 97.9 | Very high | 94.2 | Very high | 47 Ų | 47 | 68 Ų | 68 | 39% | 0.388 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 142.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | F159 L166 F173 | F159-A176 HydrophobicContact CD1-CB 4.19Å; F159-A176 CarbonylContact O-C 3.57Å; F159-A176 VanDerWaalsContact O-CA 3.29Å; F159-A176 WeakPolarHBondContact O-CA 3.36Å; L166-A176 HydrophobicContact CD2-CB 3.75Å; F173-A176 HydrophobicContact CB-CB 3.97Å; F173-A176 HydrophobicContact CD2-CB 4.07Å; F173-A176 HydrophobicContact CG-CB 4.3Å |
| 177 | R | 98 | Very high | 94.4 | Very high | 74 Ų | 74 | 65.2 Ų | 65.2 | 28% | 0.279 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 88 | 172.1 | -59.9 | 179.3 | -170.2 | -101.8 | 3.1 | 109.1 | F159 M160 G161 F179 Y197 E201 | F159-R177 PolarHBondContact O-N 2.91Å; M160-R177 CarbonylContact C-O 3.56Å; M160-R177 VanDerWaalsContact CA-O 3.22Å; M160-R177 WeakPolarHBondContact CA-O 3.14Å; M160-R177 HydrophobicContact CB-CB 4.04Å; G161-R177 PolarHBondContact N-O 3.12Å; R177-F179 HydrophobicContact CB-CE2 4.25Å; R177-F179 HydrophobicContact CB-CZ 4.27Å; R177-F179 VanDerWaalsContact O-CE2 3.29Å; R177-F179 WeakPolarHBondContact O-CE2 3.35Å; R177-Y197 VanDerWaalsContact CD-CG 3.46Å; R177-Y197 VanDerWaalsContact CZ-CG 3.46Å; R177-E201 IonicContact CZ-OE1 3.47Å; R177-E201 IonicContact NE-OE1 3.59Å; R177-E201 IonicContact NH2-OE1 3.45Å; R177-E201 PolarHBondContact NH2-OE1 2.65Å |
| 178 | A | 97.2 | Very high | 94.8 | Very high | 35 Ų | 35 | 66.3 Ų | 66.3 | 29% | 0.289 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 148.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | F159 G161 D163 L166 | F159-A178 HydrophobicContact CE1-CB 4.47Å; G161-A178 CarbonylContact O-C 3.6Å; G161-A178 VanDerWaalsContact O-CA 3.26Å; G161-A178 WeakPolarHBondContact O-CA 3.42Å; D163-A178 HydrophobicContact CB-CB 3.87Å; L166-A178 HydrophobicContact CD1-CB 3.37Å; L166-A178 HydrophobicContact CG-CB 3.79Å |
| 179 | F | 97.4 | Very high | 95.1 | Very high | 41 Ų | 41 | 67.9 Ų | 67.9 | 18% | 0.18 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 147.5 | 178.1 | -57.3 | -79.4 | 0 | 0 | 0 | 109.7 | G161 D163 R177 S181 V190 G193 V194 Y197 | G161-F179 WeakPolarHBondContact O-CD2 3.43Å; G161-F179 PolarHBondContact O-N 3.13Å; D163-F179 PolarHBondContact N-O 2.66Å; D163-F179 VanDerWaalsContact N-O 3.12Å; R177-F179 HydrophobicContact CB-CE2 4.25Å; R177-F179 HydrophobicContact CB-CZ 4.27Å; R177-F179 VanDerWaalsContact O-CE2 3.29Å; R177-F179 WeakPolarHBondContact O-CE2 3.35Å; F179-S181 PolarHBondContact O-N 2.81Å; F179-V190 HydrophobicContact CB-CB 4.36Å; F179-V190 HydrophobicContact CB-CG1 4.41Å; F179-V190 HydrophobicContact CB-CG2 4Å; F179-G193 VanDerWaalsContact CE1-CA 3.49Å; F179-G193 WeakPolarHBondContact CZ-O 3.39Å; F179-V194 HydrophobicContact CD2-CG2 4.45Å; F179-V194 HydrophobicContact CE2-CG2 4.3Å; F179-Y197 HydrophobicContact CZ-CD2 4.33Å; F179-Y197 HydrophobicContact CZ-CE2 4.31Å |
| 180 | P | 94.2 | Very high | 95.3 | Very high | 106 Ų | 106 | 68.1 Ų | 68.1 | 69% | 0.688 | 36% | 0.359 | S | S | * | . | trans | -57 | 128.9 | 178.3 | -24.1 | 34.2 | 0 | 0 | 0 | 112 | V190 | P180-V190 VanDerWaalsContact O-CG2 3.3Å; P180-V190 WeakPolarHBondContact O-CG2 3.32Å | ||
| 181 | S | 90.3 | Very high | 95.6 | Very high | 11 Ų | 11 | 65.7 Ų | 65.7 | 8% | 0.077 | 34% | 0.343 | C | S | . | . | trans | -109.2 | -22.8 | -173.8 | 57.4 | 0 | 0 | 0 | 0 | 114.6 | D162 D163 F179 D183 H219 | D162-S181 WeakPolarHBondContact OD1-CB 3.45Å; D162-S181 PolarHBondContact OD1-OG 2.82Å; D163-S181 WeakPolarHBondContact OD1-CB 3.18Å; D163-S181 PolarHBondContact OD1-OG 2.94Å; F179-S181 PolarHBondContact O-N 2.81Å; S181-D183 VanDerWaalsContact C-N 3.29Å; S181-D183 PolarHBondContact O-N 3.31Å; S181-D183 VanDerWaalsContact O-N 3.17Å; S181-H219 PolarHBondContact O-CE1 2.98Å; S181-H219 VanDerWaalsContact O-CE1 3.27Å | ||
| 182 | F | 88.8 | Confident | 95.8 | Very high | 181 Ų | 181 | 60.5 Ų | 60.5 | 79% | 0.794 | 32% | 0.322 | S | S | * | . | trans | -65.9 | -20.5 | -169.5 | -77.3 | -81.2 | 0 | 0 | 0 | 116 | V184 | F182-V184 PolarHBondContact O-N 2.86Å; F182-V184 VanDerWaalsContact O-N 3.15Å | ||
| 183 | D | 92.3 | Very high | 96 | Very high | 93 Ų | 93 | 57.4 Ų | 57.4 | 50% | 0.497 | 31% | 0.311 | S | S | . | . | trans | -82.4 | 90.5 | 176.5 | -175.7 | 7.2 | 0 | 0 | 0 | 110.8 | S181 H185 D186 H219 | S181-D183 VanDerWaalsContact C-N 3.29Å; S181-D183 PolarHBondContact O-N 3.31Å; S181-D183 VanDerWaalsContact O-N 3.17Å; D183-H185 PolarHBondContact O-N 2.8Å; D183-H185 WeakPolarHBondContact OD1-CB 3.5Å; D183-H185 PolarHBondContact OD1-N 2.93Å; D183-D186 HydrophobicContact CB-CB 4.27Å; D183-D186 WeakPolarHBondContact O-CB 3.41Å; D183-D186 PolarHBondContact O-N 2.96Å; D183-H219 PolarHBondContact O-CE1 2.95Å; D183-H219 PolarHBondContact O-ND1 2.61Å | ||
| 184 | V | 89.2 | Confident | 96 | Very high | 58 Ų | 58 | 56.1 Ų | 56.1 | 35% | 0.352 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -12.7 | 176.5 | -59.9 | 0 | 0 | 0 | 0 | 113.5 | F182 H219 | F182-V184 PolarHBondContact O-N 2.86Å; F182-V184 VanDerWaalsContact O-N 3.15Å; V184-H219 WeakPolarHBondContact O-CB 3.29Å |
| 185 | H | 92.9 | Very high | 96 | Very high | 112 Ų | 112 | 54.6 Ų | 54.6 | 52% | 0.519 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -13.9 | 174.5 | -63.7 | -48 | 0 | 0 | 0 | 113.6 | D183 L187 K223 | D183-H185 PolarHBondContact O-N 2.8Å; D183-H185 WeakPolarHBondContact OD1-CB 3.5Å; D183-H185 PolarHBondContact OD1-N 2.93Å; H185-L187 PolarHBondContact O-N 3.41Å; H185-K223 HydrophobicContact CB-CD 4.33Å; H185-K223 PolarHBondContact O-NZ 3.27Å |
| 186 | D | 97.5 | Very high | 96 | Very high | 58 Ų | 58 | 58.4 Ų | 58.4 | 31% | 0.31 | 31% | 0.313 | S | S | . | . | trans | -83.1 | 108.9 | 173.9 | -179.9 | 12.9 | 0 | 0 | 0 | 110.6 | D183 H188 G189 H219 | D183-D186 HydrophobicContact CB-CB 4.27Å; D183-D186 WeakPolarHBondContact O-CB 3.41Å; D183-D186 PolarHBondContact O-N 2.96Å; D186-H188 VanDerWaalsContact C-N 3.32Å; D186-H188 PolarHBondContact OD1-N 3.13Å; D186-G189 VanDerWaalsContact CG-N 3.28Å; D186-G189 PolarHBondContact OD1-N 3.23Å; D186-G189 WeakPolarHBondContact OD2-CA 3.4Å; D186-G189 PolarHBondContact OD2-N 2.78Å; D186-H219 PolarHBondContact O-ND1 3.15Å | ||
| 187 | L | 98.2 | Very high | 95.9 | Very high | 8 Ų | 8 | 59 Ų | 59 | 4% | 0.042 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -87.2 | -2.5 | 179.2 | -52.9 | -167.6 | 0 | 0 | 0 | 113.3 | H185 H219 C220 K223 Y224 E230 K234 | H185-L187 PolarHBondContact O-N 3.41Å; L187-H219 HydrophobicContact CD2-CB 3.61Å; L187-H219 WeakPolarHBondContact CD2-O 3.29Å; L187-C220 HydrophobicContact CD1-CB 4.14Å; L187-C220 HydrophobicContact CD2-CB 4.13Å; L187-K223 HydrophobicContact CD2-CB 4.49Å; L187-K223 HydrophobicContact CD2-CD 4.21Å; L187-K223 HydrophobicContact CG-CD 4.43Å; L187-Y224 HydrophobicContact CD1-CD2 4.15Å; L187-Y224 HydrophobicContact CD1-CE2 3.8Å; L187-E230 HydrophobicContact CD1-CB 4.47Å; L187-K234 HydrophobicContact CB-CD 4.41Å; L187-K234 PolarHBondContact O-NZ 3Å |
| 188 | H | 98.1 | Very high | 95.8 | Very high | 83 Ų | 83 | 55.6 Ų | 55.6 | 38% | 0.384 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -136 | -32 | -157.4 | -61.8 | -37.9 | 0 | 0 | 0 | 115 | D186 V190 D191 N192 | D186-H188 VanDerWaalsContact C-N 3.32Å; D186-H188 PolarHBondContact OD1-N 3.13Å; H188-V190 PolarHBondContact O-N 2.91Å; H188-D191 PolarHBondContact O-N 3.19Å; H188-N192 WeakPolarHBondContact O-CB 3.38Å; H188-N192 PolarHBondContact O-N 3.26Å; H188-N192 PolarHBondContact O-ND2 3.12Å |
| 189 | G | 98.1 | Very high | 95.5 | Very high | 33 Ų | 33 | 55 Ų | 55 | 34% | 0.34 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -55.8 | -55.4 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | D186 G193 | D186-G189 VanDerWaalsContact CG-N 3.28Å; D186-G189 PolarHBondContact OD1-N 3.23Å; D186-G189 WeakPolarHBondContact OD2-CA 3.4Å; D186-G189 PolarHBondContact OD2-N 2.78Å; G189-G193 PolarHBondContact O-N 2.81Å |
| 190 | V | 98.3 | Very high | 95.2 | Very high | 6 Ų | 6 | 59.9 Ų | 59.9 | 4% | 0.036 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.3 | -52.4 | 178.5 | -177.1 | 0 | 0 | 0 | 0 | 110.9 | F179 P180 H188 N192 G193 V194 L215 | F179-V190 HydrophobicContact CB-CB 4.36Å; F179-V190 HydrophobicContact CB-CG1 4.41Å; F179-V190 HydrophobicContact CB-CG2 4Å; P180-V190 VanDerWaalsContact O-CG2 3.3Å; P180-V190 WeakPolarHBondContact O-CG2 3.32Å; H188-V190 PolarHBondContact O-N 2.91Å; V190-N192 PolarHBondContact O-N 2.91Å; V190-G193 WeakPolarHBondContact O-CA 3.42Å; V190-G193 PolarHBondContact O-N 2.9Å; V190-G193 VanDerWaalsContact O-N 3.11Å; V190-V194 HydrophobicContact CG1-CG2 4.42Å; V190-V194 WeakPolarHBondContact O-CG2 3.48Å; V190-V194 PolarHBondContact O-N 3.06Å; V190-L215 HydrophobicContact CB-CD1 4.49Å; V190-L215 HydrophobicContact CB-CG 4.45Å; V190-L215 HydrophobicContact CG1-CD1 4.49Å; V190-L215 HydrophobicContact CG1-CG 4.22Å; V190-L215 HydrophobicContact CG2-CD1 3.94Å; V190-L215 HydrophobicContact CG2-CG 4.42Å |
| 191 | D | 98.5 | Very high | 95.1 | Very high | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.1 | -45.4 | -177.3 | -74.1 | 29.3 | 0 | 0 | 0 | 113 | H188 G193 V194 L195 F214 L215 G216 K234 M238 | H188-D191 PolarHBondContact O-N 3.19Å; D191-G193 VanDerWaalsContact C-N 3.34Å; D191-V194 PolarHBondContact O-N 2.87Å; D191-L195 WeakPolarHBondContact O-CB 3.32Å; D191-L195 VanDerWaalsContact O-CG 3.24Å; D191-L195 WeakPolarHBondContact O-CG 3.44Å; D191-L195 PolarHBondContact O-N 3.35Å; D191-F214 HydrophobicContact CB-CD1 3.9Å; D191-F214 HydrophobicContact CB-CE1 4.42Å; D191-L215 PolarHBondContact OD1-N 3.08Å; D191-G216 PolarHBondContact OD1-N 3.39Å; D191-K234 WeakPolarHBondContact OD2-CE 3.31Å; D191-K234 IonicContact OD2-NZ 3.85Å; D191-K234 PolarHBondContact OD2-NZ 2.74Å; D191-M238 WeakPolarHBondContact OD2-CE 3.35Å |
| 192 | N | 98.4 | Very high | 95.1 | Very high | 87 Ų | 87 | 55 Ų | 55 | 47% | 0.465 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -67.5 | -37.7 | 176.9 | -70.8 | -20.2 | 0 | 0 | 0 | 111.3 | H188 V190 L195 K196 | H188-N192 WeakPolarHBondContact O-CB 3.38Å; H188-N192 PolarHBondContact O-N 3.26Å; H188-N192 PolarHBondContact O-ND2 3.12Å; V190-N192 PolarHBondContact O-N 2.91Å; N192-L195 PolarHBondContact O-N 3.4Å; N192-K196 WeakPolarHBondContact O-CB 3.47Å; N192-K196 PolarHBondContact O-N 3.2Å |
| 193 | G | 98.1 | Very high | 95 | Very high | 8 Ų | 8 | 52 Ų | 52 | 8% | 0.082 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57.3 | -48.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112 | F179 G189 V190 D191 K196 Y197 | F179-G193 VanDerWaalsContact CE1-CA 3.49Å; F179-G193 WeakPolarHBondContact CZ-O 3.39Å; G189-G193 PolarHBondContact O-N 2.81Å; V190-G193 WeakPolarHBondContact O-CA 3.42Å; V190-G193 PolarHBondContact O-N 2.9Å; V190-G193 VanDerWaalsContact O-N 3.11Å; D191-G193 VanDerWaalsContact C-N 3.34Å; G193-K196 WeakPolarHBondContact O-CB 3.42Å; G193-Y197 VanDerWaalsContact O-CD2 3.22Å; G193-Y197 WeakPolarHBondContact O-CD2 3.42Å |
| 194 | V | 98.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62 | -53.4 | 175.5 | 171.2 | 0 | 0 | 0 | 0 | 110.9 | M160 F179 V190 D191 K196 Y197 L198 A212 F214 | M160-V194 HydrophobicContact CB-CG2 4.36Å; M160-V194 HydrophobicContact CG-CB 4.41Å; M160-V194 HydrophobicContact CG-CG1 3.88Å; M160-V194 HydrophobicContact CG-CG2 4.18Å; M160-V194 HydrophobicContact SD-CG1 3.92Å; F179-V194 HydrophobicContact CD2-CG2 4.45Å; F179-V194 HydrophobicContact CE2-CG2 4.3Å; V190-V194 HydrophobicContact CG1-CG2 4.42Å; V190-V194 WeakPolarHBondContact O-CG2 3.48Å; V190-V194 PolarHBondContact O-N 3.06Å; D191-V194 PolarHBondContact O-N 2.87Å; V194-K196 PolarHBondContact O-N 2.73Å; V194-K196 VanDerWaalsContact O-N 3.15Å; V194-Y197 PolarHBondContact O-N 3.3Å; V194-L198 HydrophobicContact CG1-CB 4.36Å; V194-L198 HydrophobicContact CG1-CD2 4.44Å; V194-L198 WeakPolarHBondContact O-CB 3.38Å; V194-L198 PolarHBondContact O-N 3.23Å; V194-A212 HydrophobicContact CG1-CB 3.95Å; V194-F214 HydrophobicContact CB-CE1 4.02Å; V194-F214 HydrophobicContact CB-CZ 4.09Å; V194-F214 HydrophobicContact CG1-CD1 4.45Å; V194-F214 HydrophobicContact CG1-CD2 4.39Å; V194-F214 HydrophobicContact CG1-CE1 3.73Å; V194-F214 HydrophobicContact CG1-CE2 3.65Å; V194-F214 HydrophobicContact CG1-CZ 3.27Å |
| 195 | L | 97.5 | Very high | 94.6 | Very high | 36 Ų | 36 | 51.8 Ų | 51.8 | 19% | 0.188 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.5 | -30.1 | -176.9 | -73.1 | 168.5 | 0 | 0 | 0 | 113.5 | D191 N192 Y197 Y199 F214 Q237 M241 | D191-L195 WeakPolarHBondContact O-CB 3.32Å; D191-L195 VanDerWaalsContact O-CG 3.24Å; D191-L195 WeakPolarHBondContact O-CG 3.44Å; D191-L195 PolarHBondContact O-N 3.35Å; N192-L195 PolarHBondContact O-N 3.4Å; L195-Y197 PolarHBondContact O-N 3.01Å; L195-Y199 HydrophobicContact CD2-CE2 4.2Å; L195-F214 HydrophobicContact CD2-CE1 4.14Å; L195-F214 HydrophobicContact CD2-CZ 4.2Å; L195-F214 HydrophobicContact CG-CE1 3.93Å; L195-F214 HydrophobicContact CG-CZ 4.4Å; L195-Q237 HydrophobicContact CD1-CG 4.32Å; L195-Q237 VanDerWaalsContact CD1-NE2 3.32Å; L195-M241 HydrophobicContact CD2-CB 3.94Å; L195-M241 HydrophobicContact CD2-CG 3.68Å |
| 196 | K | 96.9 | Very high | 94.6 | Very high | 149 Ų | 149 | 49.1 Ų | 49.1 | 65% | 0.648 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -61.1 | -29 | 176.7 | -176.2 | 176.7 | 178.7 | -173.8 | 0 | 112.9 | N192 G193 V194 | N192-K196 WeakPolarHBondContact O-CB 3.47Å; N192-K196 PolarHBondContact O-N 3.2Å; G193-K196 WeakPolarHBondContact O-CB 3.42Å; V194-K196 PolarHBondContact O-N 2.73Å; V194-K196 VanDerWaalsContact O-N 3.15Å |
| 197 | Y | 95.7 | Very high | 94.4 | Very high | 59 Ų | 59 | 46.6 Ų | 46.6 | 23% | 0.231 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -120.1 | -23.4 | -172.8 | -58.9 | -66.4 | 0 | 0 | 0 | 114.2 | R177 F179 G193 V194 L195 Y199 K200 E201 | R177-Y197 VanDerWaalsContact CD-CG 3.46Å; R177-Y197 VanDerWaalsContact CZ-CG 3.46Å; F179-Y197 HydrophobicContact CZ-CD2 4.33Å; F179-Y197 HydrophobicContact CZ-CE2 4.31Å; G193-Y197 VanDerWaalsContact O-CD2 3.22Å; G193-Y197 WeakPolarHBondContact O-CD2 3.42Å; V194-Y197 PolarHBondContact O-N 3.3Å; L195-Y197 PolarHBondContact O-N 3.01Å; Y197-Y199 PolarHBondContact O-N 2.98Å; Y197-K200 PolarHBondContact O-N 2.83Å; Y197-K200 VanDerWaalsContact O-N 3.08Å; Y197-E201 PolarHBondContact O-N 2.8Å |
| 198 | L | 95 | Very high | 94 | Very high | 2 Ų | 2 | 47.5 Ų | 47.5 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -48.9 | -54.9 | -173.6 | 179.8 | 58.5 | 0 | 0 | 0 | 112.9 | M160 V194 K200 E201 I202 L210 A212 F214 M241 | M160-L198 HydrophobicContact CE-CD1 4.33Å; M160-L198 VanDerWaalsContact SD-CA 3.52Å; M160-L198 HydrophobicContact SD-CB 3.83Å; M160-L198 HydrophobicContact SD-CD1 3.93Å; V194-L198 HydrophobicContact CG1-CB 4.36Å; V194-L198 HydrophobicContact CG1-CD2 4.44Å; V194-L198 WeakPolarHBondContact O-CB 3.38Å; V194-L198 PolarHBondContact O-N 3.23Å; L198-K200 VanDerWaalsContact C-N 3.32Å; L198-K200 PolarHBondContact O-N 3.11Å; L198-E201 PolarHBondContact O-N 3.31Å; L198-I202 HydrophobicContact CD1-CD1 3.88Å; L198-I202 HydrophobicContact CD1-CG1 4.28Å; L198-I202 HydrophobicContact CG-CD1 3.85Å; L198-I202 VanDerWaalsContact O-CG1 3.29Å; L198-I202 WeakPolarHBondContact O-CG1 3.43Å; L198-I202 PolarHBondContact O-N 2.99Å; L198-L210 HydrophobicContact CD1-CD2 4.12Å; L198-A212 HydrophobicContact CD1-CB 3.94Å; L198-F214 HydrophobicContact CD2-CE2 4.46Å; L198-F214 HydrophobicContact CD2-CZ 4.1Å; L198-M241 HydrophobicContact CD2-CG 3.84Å; L198-M241 HydrophobicContact CD2-SD 3.88Å |
| 199 | Y | 91.8 | Very high | 93.8 | Very high | 24 Ų | 24 | 43.7 Ų | 43.7 | 9% | 0.094 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.3 | -35.9 | -176.4 | -52.8 | -67.4 | 0 | 0 | 0 | 112.6 | L195 Y197 I202 E203 M241 R244 K245 V248 | L195-Y199 HydrophobicContact CD2-CE2 4.2Å; Y197-Y199 PolarHBondContact O-N 2.98Å; Y199-I202 PolarHBondContact O-N 2.76Å; Y199-E203 WeakPolarHBondContact O-CB 3.41Å; Y199-E203 VanDerWaalsContact O-CG 3.29Å; Y199-E203 WeakPolarHBondContact O-CG 3.24Å; Y199-E203 PolarHBondContact O-N 3.12Å; Y199-M241 WeakPolarHBondContact OH-CA 3.49Å; Y199-R244 HydrophobicContact CD1-CG 4.06Å; Y199-R244 HydrophobicContact CE1-CB 3.77Å; Y199-R244 HydrophobicContact CE1-CG 3.53Å; Y199-R244 HydrophobicContact CE2-CG 4.38Å; Y199-R244 VanDerWaalsContact CZ-CD 3.47Å; Y199-K245 HydrophobicContact CE1-CB 4.28Å; Y199-V248 HydrophobicContact CD1-CG2 4.34Å |
| 200 | K | 91.4 | Very high | 93.7 | Very high | 143 Ų | 143 | 42.1 Ų | 42.1 | 62% | 0.622 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -66.5 | -41.2 | 176.1 | -177.9 | -179.2 | 177.2 | 178.8 | 0 | 111.6 | Y197 L198 E203 S204 | Y197-K200 PolarHBondContact O-N 2.83Å; Y197-K200 VanDerWaalsContact O-N 3.08Å; L198-K200 VanDerWaalsContact C-N 3.32Å; L198-K200 PolarHBondContact O-N 3.11Å; K200-E203 CarbonylContact O-C 3.57Å; K200-E203 PolarHBondContact O-N 3.34Å; K200-S204 PolarHBondContact O-N 3.18Å; K200-S204 VanDerWaalsContact O-N 3.12Å |
| 201 | E | 91.9 | Very high | 93.6 | Very high | 10 Ų | 10 | 41.8 Ų | 41.8 | 5% | 0.047 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -68 | -41.2 | 176.3 | -63 | -67.7 | 162.3 | 0 | 0 | 110.4 | V158 M160 R175 R177 Y197 L198 E203 S204 W207 L210 | V158-E201 HydrophobicContact CG1-CG 4.27Å; M160-E201 HydrophobicContact CE-CB 3.84Å; M160-E201 HydrophobicContact CE-CG 3.58Å; R175-E201 IonicContact CZ-OE2 2.66Å; R175-E201 IonicContact NE-OE1 3.32Å; R175-E201 IonicContact NE-OE2 2.76Å; R175-E201 PolarHBondContact NE-OE2 2.73Å; R175-E201 VanDerWaalsContact NE-OE2 3.15Å; R175-E201 IonicContact NH2-OE2 2.84Å; R175-E201 PolarHBondContact NH2-OE2 3.37Å; R177-E201 IonicContact CZ-OE1 3.47Å; R177-E201 IonicContact NE-OE1 3.59Å; R177-E201 IonicContact NH2-OE1 3.45Å; R177-E201 PolarHBondContact NH2-OE1 2.65Å; Y197-E201 PolarHBondContact O-N 2.8Å; L198-E201 PolarHBondContact O-N 3.31Å; E201-E203 PolarHBondContact O-N 3.37Å; E201-S204 VanDerWaalsContact O-CB 3.31Å; E201-S204 WeakPolarHBondContact O-CB 3.22Å; E201-S204 PolarHBondContact O-N 2.99Å; E201-W207 PolarHBondContact O-NE1 3.29Å; E201-L210 HydrophobicContact CB-CD1 3.84Å; E201-L210 HydrophobicContact CB-CD2 4.37Å |
| 202 | I | 90.4 | Very high | 93.6 | Very high | 3 Ų | 3 | 41.8 Ų | 41.8 | 2% | 0.015 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -57.1 | -39.9 | 172.2 | -66.5 | 166.8 | 0 | 0 | 0 | 111 | I61 L198 Y199 S204 L210 K245 V248 R252 | I61-I202 HydrophobicContact CD1-CD1 4.41Å; I61-I202 HydrophobicContact CD1-CG1 4.1Å; I61-I202 HydrophobicContact CD1-CG2 4.41Å; L198-I202 HydrophobicContact CD1-CD1 3.88Å; L198-I202 HydrophobicContact CD1-CG1 4.28Å; L198-I202 HydrophobicContact CG-CD1 3.85Å; L198-I202 VanDerWaalsContact O-CG1 3.29Å; L198-I202 WeakPolarHBondContact O-CG1 3.43Å; L198-I202 PolarHBondContact O-N 2.99Å; Y199-I202 PolarHBondContact O-N 2.76Å; I202-S204 PolarHBondContact O-N 3.15Å; I202-L210 HydrophobicContact CB-CD2 4.49Å; I202-L210 HydrophobicContact CD1-CD2 4.43Å; I202-L210 HydrophobicContact CG1-CD2 3.44Å; I202-L210 VanDerWaalsContact CG1-CD2 3.44Å; I202-K245 HydrophobicContact CD1-CB 4.12Å; I202-K245 HydrophobicContact CD1-CG 3.61Å; I202-V248 HydrophobicContact CG2-CG1 3.78Å; I202-R252 PolarHBondContact O-NE 3.27Å; I202-R252 PolarHBondContact O-NH2 3.37Å |
| 203 | E | 87.4 | Confident | 93.6 | Very high | 119 Ų | 119 | 37.6 Ų | 37.6 | 56% | 0.556 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -6.3 | 175 | -77.3 | 176.8 | 175.7 | 0 | 0 | 114.7 | Y199 K200 E201 V248 R252 | Y199-E203 WeakPolarHBondContact O-CB 3.41Å; Y199-E203 VanDerWaalsContact O-CG 3.29Å; Y199-E203 WeakPolarHBondContact O-CG 3.24Å; Y199-E203 PolarHBondContact O-N 3.12Å; K200-E203 CarbonylContact O-C 3.57Å; K200-E203 PolarHBondContact O-N 3.34Å; E201-E203 PolarHBondContact O-N 3.37Å; E203-V248 HydrophobicContact CG-CG1 3.77Å; E203-R252 PolarHBondContact O-NH2 2.9Å |
| 204 | S | 87.9 | Confident | 93.6 | Very high | 37 Ų | 37 | 37.2 Ų | 37.2 | 26% | 0.259 | 18% | 0.178 | S | C | . | . | trans | -84.8 | 162.5 | 168.3 | -160 | 0 | 0 | 0 | 0 | 112.4 | R59 K200 E201 I202 D206 W207 R252 | R59-S204 PolarHBondContact NH1-O 3.39Å; K200-S204 PolarHBondContact O-N 3.18Å; K200-S204 VanDerWaalsContact O-N 3.12Å; E201-S204 VanDerWaalsContact O-CB 3.31Å; E201-S204 WeakPolarHBondContact O-CB 3.22Å; E201-S204 PolarHBondContact O-N 2.99Å; I202-S204 PolarHBondContact O-N 3.15Å; S204-D206 VanDerWaalsContact CB-OD1 3.25Å; S204-D206 WeakPolarHBondContact CB-OD1 3.29Å; S204-D206 VanDerWaalsContact OG-CG 3.25Å; S204-D206 PolarHBondContact OG-OD1 3.11Å; S204-W207 PolarHBondContact O-NE1 2.99Å; S204-R252 PolarHBondContact O-NH2 3.46Å | ||
| 205 | N | 85 | Confident | 93.6 | Very high | 110 Ų | 110 | 37.4 Ų | 37.4 | 59% | 0.588 | 18% | 0.179 | S | C | * | . | S | Bend | trans | -115.2 | 9.8 | 177.7 | -70.5 | -29.3 | 0 | 0 | 0 | 112.7 | R252 | N205-R252 PolarHBondContact OD1-NH1 3.45Å; N205-R252 PolarHBondContact OD1-NH2 3.46Å; N205-R252 VanDerWaalsContact OD1-NH2 3.1Å |
| 206 | D | 91.6 | Very high | 93.7 | Very high | 55 Ų | 55 | 35.7 Ų | 35.7 | 29% | 0.294 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -109.4 | 35.8 | -171.1 | 68.9 | -19.9 | 0 | 0 | 0 | 113.1 | K156 R175 S204 | K156-D206 WeakPolarHBondContact CD-O 3.46Å; R175-D206 IonicContact CZ-OD1 3.81Å; R175-D206 IonicContact CZ-OD2 3.75Å; R175-D206 VanDerWaalsContact CZ-OD2 3.3Å; R175-D206 IonicContact NH1-OD1 3.39Å; R175-D206 IonicContact NH1-OD2 3.28Å; R175-D206 PolarHBondContact NH1-OD2 3.02Å; R175-D206 VanDerWaalsContact NH2-CG 3.26Å; R175-D206 IonicContact NH2-OD1 3.46Å; R175-D206 PolarHBondContact NH2-OD1 2.85Å; R175-D206 IonicContact NH2-OD2 3.11Å; R175-D206 PolarHBondContact NH2-OD2 2.92Å; S204-D206 VanDerWaalsContact CB-OD1 3.25Å; S204-D206 WeakPolarHBondContact CB-OD1 3.29Å; S204-D206 VanDerWaalsContact OG-CG 3.25Å; S204-D206 PolarHBondContact OG-OD1 3.11Å |
| 207 | W | 93.1 | Very high | 93.8 | Very high | 6 Ų | 6 | 28.6 Ų | 28.6 | 2% | 0.023 | 14% | 0.139 | C | C | . | . | trans | -142.7 | 149.3 | 173.8 | 58.4 | -93.9 | 0 | 0 | 0 | 110.4 | R59 S60 I61 V158 E201 S204 L210 T262 | R59-W207 HydrophobicContact CB-CE3 4.28Å; R59-W207 HydrophobicContact CB-CH2 3.99Å; R59-W207 HydrophobicContact CB-CZ3 3.61Å; R59-W207 WeakPolarHBondContact CD-O 3.32Å; R59-W207 HydrophobicContact CG-CE3 4.33Å; R59-W207 HydrophobicContact CG-CZ3 4.11Å; S60-W207 WeakPolarHBondContact O-CZ3 3.08Å; I61-W207 HydrophobicContact CD1-CH2 3.99Å; I61-W207 HydrophobicContact CG1-CH2 3.56Å; I61-W207 HydrophobicContact CG1-CZ2 4.45Å; I61-W207 HydrophobicContact CG1-CZ3 3.99Å; V158-W207 HydrophobicContact CB-CB 4.37Å; V158-W207 HydrophobicContact CG2-CB 3.73Å; E201-W207 PolarHBondContact O-NE1 3.29Å; S204-W207 PolarHBondContact O-NE1 2.99Å; W207-L210 HydrophobicContact CD2-CB 4.07Å; W207-L210 HydrophobicContact CE3-CB 3.77Å; W207-L210 HydrophobicContact CH2-CB 4.34Å; W207-L210 HydrophobicContact CZ3-CB 3.89Å; W207-T262 HydrophobicContact CH2-CG2 4.17Å | ||
| 208 | D | 91.6 | Very high | 93.9 | Very high | 27 Ų | 27 | 26 Ų | 26 | 14% | 0.144 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -105.4 | -36.4 | 171.9 | -60.5 | -85.3 | 0 | 0 | 0 | 110.7 | R59 S60 M150 K155 K156 | R59-D208 CarbonylContact C-O 3.57Å; R59-D208 WeakPolarHBondContact CA-O 3.22Å; S60-D208 PolarHBondContact N-O 3.42Å; M150-D208 HydrophobicContact CE-CB 4.02Å; K155-D208 WeakPolarHBondContact CA-OD2 3.36Å; K155-D208 HydrophobicContact CB-CB 3.95Å; K155-D208 HydrophobicContact CD-CB 4.13Å; K155-D208 HydrophobicContact CG-CB 4.48Å; K155-D208 IonicContact NZ-OD1 3.66Å; K156-D208 PolarHBondContact N-OD2 3.06Å; K156-D208 PolarHBondContact O-N 3.41Å |
| 209 | L | 93.4 | Very high | 94 | Very high | 2 Ų | 2 | 26.5 Ų | 26.5 | 1% | 0.01 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 124.9 | 174.3 | 179.6 | 60.2 | 0 | 0 | 0 | 110.2 | S60 L62 M150 K156 V157 V158 I211 | S60-L209 WeakPolarHBondContact O-CA 3.28Å; L62-L209 HydrophobicContact CD1-CD1 3.84Å; L62-L209 HydrophobicContact CG-CD1 3.79Å; M150-L209 HydrophobicContact CE-CB 3.88Å; M150-L209 HydrophobicContact CG-CD2 4.4Å; K156-L209 PolarHBondContact O-N 3.09Å; K156-L209 VanDerWaalsContact O-N 3.08Å; V157-L209 WeakPolarHBondContact CA-O 3.39Å; V157-L209 HydrophobicContact CG1-CB 4.17Å; V157-L209 HydrophobicContact CG1-CD2 3.96Å; V157-L209 HydrophobicContact CG1-CG 4.1Å; V157-L209 HydrophobicContact CG2-CB 4.3Å; V157-L209 HydrophobicContact CG2-CD2 4.44Å; V158-L209 PolarHBondContact N-O 2.88Å; L209-I211 HydrophobicContact CD1-CG1 4.34Å; L209-I211 HydrophobicContact CD2-CD1 4.01Å; L209-I211 HydrophobicContact CD2-CG1 4.23Å; L209-I211 HydrophobicContact CG-CD1 4.26Å; L209-I211 HydrophobicContact CG-CG1 3.93Å |
| 210 | L | 95.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 123.8 | 172.9 | -175.7 | 68.6 | 0 | 0 | 0 | 109.2 | S60 I61 L62 V158 M160 L198 E201 I202 W207 | S60-L210 PolarHBondContact O-N 3.1Å; I61-L210 CarbonylContact C-O 3.4Å; I61-L210 WeakPolarHBondContact CA-O 3.25Å; I61-L210 HydrophobicContact CG1-CB 4.31Å; I61-L210 HydrophobicContact CG1-CD2 4.42Å; I61-L210 HydrophobicContact CG2-CD2 4.31Å; L62-L210 PolarHBondContact N-O 3.41Å; V158-L210 HydrophobicContact CB-CD1 3.73Å; V158-L210 HydrophobicContact CG1-CD1 3.58Å; V158-L210 CarbonylContact O-C 3.5Å; V158-L210 WeakPolarHBondContact O-CA 3.35Å; M160-L210 HydrophobicContact CE-CD1 3.73Å; L198-L210 HydrophobicContact CD1-CD2 4.12Å; E201-L210 HydrophobicContact CB-CD1 3.84Å; E201-L210 HydrophobicContact CB-CD2 4.37Å; I202-L210 HydrophobicContact CB-CD2 4.49Å; I202-L210 HydrophobicContact CD1-CD2 4.43Å; I202-L210 HydrophobicContact CG1-CD2 3.44Å; I202-L210 VanDerWaalsContact CG1-CD2 3.44Å; W207-L210 HydrophobicContact CD2-CB 4.07Å; W207-L210 HydrophobicContact CE3-CB 3.77Å; W207-L210 HydrophobicContact CH2-CB 4.34Å; W207-L210 HydrophobicContact CZ3-CB 3.89Å |
| 211 | I | 97 | Very high | 94.7 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 128.6 | 179.9 | -53.7 | 179.3 | 0 | 0 | 0 | 109.1 | L62 I147 V157 V158 F159 M160 W165 F173 L209 | L62-I211 HydrophobicContact CB-CG1 4.42Å; L62-I211 HydrophobicContact CD1-CG1 4.5Å; L62-I211 CarbonylContact O-C 3.57Å; L62-I211 VanDerWaalsContact O-CA 3.32Å; L62-I211 WeakPolarHBondContact O-CA 3.34Å; I147-I211 HydrophobicContact CD1-CD1 4.21Å; I147-I211 HydrophobicContact CG1-CD1 4.43Å; V157-I211 HydrophobicContact CG1-CD1 4.1Å; V158-I211 PolarHBondContact O-N 3.41Å; F159-I211 CarbonylContact C-O 3.1Å; F159-I211 WeakPolarHBondContact CA-O 3.44Å; F159-I211 HydrophobicContact CD2-CB 4.03Å; F159-I211 HydrophobicContact CD2-CG2 3.88Å; F159-I211 HydrophobicContact CE2-CG2 4.3Å; M160-I211 PolarHBondContact N-O 3.2Å; W165-I211 HydrophobicContact CE3-CG2 4.45Å; W165-I211 HydrophobicContact CH2-CD1 4.21Å; W165-I211 HydrophobicContact CH2-CG2 3.51Å; W165-I211 HydrophobicContact CZ2-CG2 3.88Å; W165-I211 HydrophobicContact CZ3-CD1 3.75Å; W165-I211 HydrophobicContact CZ3-CG2 3.83Å; F173-I211 HydrophobicContact CE1-CD1 4.46Å; L209-I211 HydrophobicContact CD1-CG1 4.34Å; L209-I211 HydrophobicContact CD2-CD1 4.01Å; L209-I211 HydrophobicContact CD2-CG1 4.23Å; L209-I211 HydrophobicContact CG-CD1 4.26Å; L209-I211 HydrophobicContact CG-CG1 3.93Å |
| 212 | A | 98.1 | Very high | 95 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 121.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | L62 V63 V64 M160 V194 L198 F214 | L62-A212 PolarHBondContact O-N 3.46Å; V63-A212 CarbonylContact C-O 3.58Å; V63-A212 VanDerWaalsContact CA-O 3.32Å; V63-A212 WeakPolarHBondContact CA-O 3.36Å; V63-A212 HydrophobicContact CG2-CB 4.4Å; V64-A212 PolarHBondContact N-O 2.93Å; M160-A212 HydrophobicContact CG-CB 3.98Å; M160-A212 CarbonylContact O-C 3.54Å; M160-A212 VanDerWaalsContact O-CA 3.24Å; M160-A212 WeakPolarHBondContact O-CA 3.13Å; V194-A212 HydrophobicContact CG1-CB 3.95Å; L198-A212 HydrophobicContact CD1-CB 3.94Å; A212-F214 HydrophobicContact CB-CE2 4.04Å |
| 213 | H | 98.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 119.8 | 177.9 | -170.1 | -155 | 0 | 0 | 0 | 110.9 | V64 D66 F159 M160 G161 D162 W165 L215 | V64-H213 HydrophobicContact CB-CB 4.45Å; V64-H213 VanDerWaalsContact CB-CD2 3.43Å; V64-H213 WeakPolarHBondContact CB-CD2 3.1Å; V64-H213 WeakPolarHBondContact CG1-CD2 3.45Å; V64-H213 CarbonylContact O-C 3.6Å; V64-H213 WeakPolarHBondContact O-CA 3.36Å; D66-H213 IonicContact OD2-CE1 2.7Å; D66-H213 IonicContact OD2-NE2 3.01Å; F159-H213 HydrophobicContact CE2-CB 4.31Å; M160-H213 PolarHBondContact O-N 3.27Å; G161-H213 VanDerWaalsContact CA-O 3.25Å; G161-H213 WeakPolarHBondContact CA-O 3.21Å; D162-H213 WeakPolarHBondContact CB-ND1 3.29Å; D162-H213 IonicContact OD2-CE1 2.72Å; D162-H213 IonicContact OD2-ND1 2.71Å; W165-H213 AromaticContact CD1-ND1 3.77Å; W165-H213 AromaticContact NE1-CG 3.52Å; W165-H213 AromaticContact NE1-ND1 3.11Å; W165-H213 PolarHBondContact NE1-ND1 3.21Å; W165-H213 VanDerWaalsContact NE1-ND1 3.11Å; H213-L215 WeakPolarHBondContact CE1-CD2 3.48Å |
| 214 | F | 98.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 135.9 | 177.7 | -67.9 | -96.2 | 0 | 0 | 0 | 109.9 | V63 V64 V65 D66 D191 V194 L195 L198 A212 M238 M241 | V63-F214 HydrophobicContact CG1-CD2 3.69Å; V63-F214 HydrophobicContact CG1-CE2 3.61Å; V64-F214 PolarHBondContact O-N 3.19Å; V65-F214 HydrophobicContact CG2-CB 4.49Å; D66-F214 WeakPolarHBondContact CB-O 3.26Å; D66-F214 PolarHBondContact N-O 2.78Å; D191-F214 HydrophobicContact CB-CD1 3.9Å; D191-F214 HydrophobicContact CB-CE1 4.42Å; V194-F214 HydrophobicContact CB-CE1 4.02Å; V194-F214 HydrophobicContact CB-CZ 4.09Å; V194-F214 HydrophobicContact CG1-CD1 4.45Å; V194-F214 HydrophobicContact CG1-CD2 4.39Å; V194-F214 HydrophobicContact CG1-CE1 3.73Å; V194-F214 HydrophobicContact CG1-CE2 3.65Å; V194-F214 HydrophobicContact CG1-CZ 3.27Å; L195-F214 HydrophobicContact CD2-CE1 4.14Å; L195-F214 HydrophobicContact CD2-CZ 4.2Å; L195-F214 HydrophobicContact CG-CE1 3.93Å; L195-F214 HydrophobicContact CG-CZ 4.4Å; L198-F214 HydrophobicContact CD2-CE2 4.46Å; L198-F214 HydrophobicContact CD2-CZ 4.1Å; A212-F214 HydrophobicContact CB-CE2 4.04Å; F214-M238 HydrophobicContact CB-SD 4Å; F214-M238 HydrophobicContact CD1-CE 3.65Å; F214-M238 HydrophobicContact CD1-SD 3.8Å; F214-M238 HydrophobicContact CD2-SD 4.34Å; F214-M238 HydrophobicContact CE1-CE 4.01Å; F214-M238 HydrophobicContact CE1-SD 4.32Å; F214-M238 HydrophobicContact CG-CE 4.26Å; F214-M238 HydrophobicContact CG-SD 3.8Å; F214-M241 HydrophobicContact CE2-CE 4.06Å; F214-M241 HydrophobicContact CE2-CG 4.45Å; F214-M241 HydrophobicContact CE2-SD 4.42Å; F214-M241 HydrophobicContact CZ-CE 4.33Å; F214-M241 HydrophobicContact CZ-CG 3.87Å; F214-M241 HydrophobicContact CZ-SD 4.4Å |
| 215 | L | 98.3 | Very high | 96.2 | Very high | 4 Ų | 4 | 22.8 Ų | 22.8 | 2% | 0.021 | 11% | 0.11 | C | C | . | . | trans | -111.2 | -16.4 | -177.7 | -60.9 | -173.4 | 0 | 0 | 0 | 113.2 | D66 D162 V190 D191 H213 V217 D218 H219 | D66-L215 HydrophobicContact CB-CD2 3.84Å; D66-L215 VanDerWaalsContact OD2-CD2 3.32Å; D66-L215 WeakPolarHBondContact OD2-CD2 3.46Å; D162-L215 HydrophobicContact CB-CD1 4.02Å; D162-L215 HydrophobicContact CB-CD2 4.16Å; D162-L215 HydrophobicContact CB-CG 4.27Å; V190-L215 HydrophobicContact CB-CD1 4.49Å; V190-L215 HydrophobicContact CB-CG 4.45Å; V190-L215 HydrophobicContact CG1-CD1 4.49Å; V190-L215 HydrophobicContact CG1-CG 4.22Å; V190-L215 HydrophobicContact CG2-CD1 3.94Å; V190-L215 HydrophobicContact CG2-CG 4.42Å; D191-L215 PolarHBondContact OD1-N 3.08Å; H213-L215 WeakPolarHBondContact CE1-CD2 3.48Å; L215-V217 PolarHBondContact O-N 2.81Å; L215-D218 PolarHBondContact O-N 2.89Å; L215-D218 VanDerWaalsContact O-N 3.15Å; L215-H219 PolarHBondContact O-N 3.18Å | ||
| 216 | G | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -65.6 | -16.3 | -166.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | D191 C220 K234 | D191-G216 PolarHBondContact OD1-N 3.39Å; G216-C220 VanDerWaalsContact O-CB 3.26Å; G216-C220 WeakPolarHBondContact O-CB 3.02Å; G216-C220 PolarHBondContact O-N 2.76Å; G216-K234 VanDerWaalsContact C-CE 3.45Å; G216-K234 WeakPolarHBondContact O-CE 3.1Å |
| 217 | V | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -74.1 | -55 | 172.7 | 169.8 | 0 | 0 | 0 | 0 | 109.6 | V65 D66 F72 L215 H219 C220 G221 M231 K234 L235 M238 M272 | V65-V217 HydrophobicContact CG1-CB 4.03Å; V65-V217 HydrophobicContact CG1-CG2 3.67Å; D66-V217 WeakPolarHBondContact O-CB 3.3Å; F72-V217 HydrophobicContact CD2-CG1 4.41Å; F72-V217 HydrophobicContact CE2-CG1 4.04Å; L215-V217 PolarHBondContact O-N 2.81Å; V217-H219 PolarHBondContact O-N 2.89Å; V217-C220 WeakPolarHBondContact O-CB 3.31Å; V217-C220 PolarHBondContact O-N 2.91Å; V217-C220 VanDerWaalsContact O-N 3.09Å; V217-G221 PolarHBondContact O-N 3.3Å; V217-M231 HydrophobicContact CG1-CE 4.39Å; V217-M231 HydrophobicContact CG1-SD 3.97Å; V217-M231 WeakPolarHBondContact O-CE 3.13Å; V217-K234 HydrophobicContact CG2-CB 4.28Å; V217-L235 HydrophobicContact CG1-CD2 4.09Å; V217-L235 HydrophobicContact CG2-CD2 3.97Å; V217-M238 HydrophobicContact CG2-CG 4.09Å; V217-M272 HydrophobicContact CG1-CE 4.22Å |
| 218 | D | 98.4 | Very high | 97.4 | Very high | 4 Ų | 4 | 21 Ų | 21 | 2% | 0.021 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -56.8 | -49.6 | 175.6 | -177.2 | 60.5 | 0 | 0 | 0 | 113 | D66 A67 L215 C220 G221 H222 H270 H278 | D66-D218 HydrophobicContact CB-CB 3.71Å; D66-D218 PolarHBondContact O-N 3.25Å; D66-D218 VanDerWaalsContact OD1-CB 3.31Å; D66-D218 WeakPolarHBondContact OD1-CB 3.43Å; A67-D218 HydrophobicContact CB-CB 3.65Å; A67-D218 VanDerWaalsContact CB-OD1 3.31Å; A67-D218 WeakPolarHBondContact CB-OD1 3.32Å; L215-D218 PolarHBondContact O-N 2.89Å; L215-D218 VanDerWaalsContact O-N 3.15Å; D218-C220 PolarHBondContact O-N 3.29Å; D218-C220 VanDerWaalsContact O-N 3.12Å; D218-G221 CarbonylContact O-C 3.53Å; D218-G221 WeakPolarHBondContact O-CA 3.42Å; D218-G221 PolarHBondContact O-N 3.31Å; D218-H222 PolarHBondContact O-N 3.38Å; D218-H222 IonicContact OD2-CD2 3.63Å; D218-H222 PolarHBondContact OD2-CD2 3.18Å; D218-H222 IonicContact OD2-NE2 3.5Å; D218-H222 PolarHBondContact OD2-NE2 3.03Å; D218-H270 IonicContact OD1-CE1 2.67Å; D218-H278 IonicContact OD1-CD2 2.98Å; D218-H278 PolarHBondContact OD1-CD2 3.44Å; D218-H278 IonicContact OD1-NE2 3.3Å; D218-H278 PolarHBondContact OD1-NE2 3.32Å; D218-H278 IonicContact OD2-NE2 3.27Å |
| 219 | H | 98.4 | Very high | 97.7 | Very high | 12 Ų | 12 | 23 Ų | 23 | 6% | 0.056 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -58.1 | -33.1 | 176.4 | -72.2 | -159.1 | 0 | 0 | 0 | 112.4 | S181 D183 V184 D186 L187 L215 V217 K223 | S181-H219 PolarHBondContact O-CE1 2.98Å; S181-H219 VanDerWaalsContact O-CE1 3.27Å; D183-H219 PolarHBondContact O-CE1 2.95Å; D183-H219 PolarHBondContact O-ND1 2.61Å; V184-H219 WeakPolarHBondContact O-CB 3.29Å; D186-H219 PolarHBondContact O-ND1 3.15Å; L187-H219 HydrophobicContact CD2-CB 3.61Å; L187-H219 WeakPolarHBondContact CD2-O 3.29Å; L215-H219 PolarHBondContact O-N 3.18Å; V217-H219 PolarHBondContact O-N 2.89Å; H219-K223 WeakPolarHBondContact O-CB 3.28Å; H219-K223 PolarHBondContact O-N 3.39Å |
| 220 | C | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -71.3 | -35.1 | 174.4 | -172.9 | 0 | 0 | 0 | 0 | 111.7 | L187 G216 V217 D218 Y224 G225 M231 K234 | L187-C220 HydrophobicContact CD1-CB 4.14Å; L187-C220 HydrophobicContact CD2-CB 4.13Å; G216-C220 VanDerWaalsContact O-CB 3.26Å; G216-C220 WeakPolarHBondContact O-CB 3.02Å; G216-C220 PolarHBondContact O-N 2.76Å; V217-C220 WeakPolarHBondContact O-CB 3.31Å; V217-C220 PolarHBondContact O-N 2.91Å; V217-C220 VanDerWaalsContact O-N 3.09Å; D218-C220 PolarHBondContact O-N 3.29Å; D218-C220 VanDerWaalsContact O-N 3.12Å; C220-Y224 PolarHBondContact O-N 2.89Å; C220-G225 PolarHBondContact O-N 2.96Å; C220-M231 HydrophobicContact CB-CE 4.04Å; C220-M231 HydrophobicContact CB-SD 4.44Å; C220-M231 VanDerWaalsContact SG-CA 3.51Å; C220-M231 PolarHBondContact SG-N 2.9Å; C220-K234 HydrophobicContact CB-CG 4.16Å |
| 221 | G | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -54.7 | -60.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | V217 D218 K223 G225 | V217-G221 PolarHBondContact O-N 3.3Å; D218-G221 CarbonylContact O-C 3.53Å; D218-G221 WeakPolarHBondContact O-CA 3.42Å; D218-G221 PolarHBondContact O-N 3.31Å; G221-K223 VanDerWaalsContact C-N 3.33Å; G221-K223 PolarHBondContact O-N 3.13Å; G221-G225 WeakPolarHBondContact O-CA 3.33Å; G221-G225 PolarHBondContact O-N 2.83Å |
| 222 | H | 97.1 | Very high | 98.2 | Very high | 74 Ų | 74 | 25.1 Ų | 25.1 | 34% | 0.343 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -56.1 | -42.4 | 178.9 | -72.2 | -32 | 0 | 0 | 0 | 114.3 | D218 G276 H278 | D218-H222 PolarHBondContact O-N 3.38Å; D218-H222 IonicContact OD2-CD2 3.63Å; D218-H222 PolarHBondContact OD2-CD2 3.18Å; D218-H222 IonicContact OD2-NE2 3.5Å; D218-H222 PolarHBondContact OD2-NE2 3.03Å; H222-G276 PolarHBondContact ND1-O 2.98Å; H222-H278 AromaticContact CE1-CD2 3.31Å; H222-H278 PolarHBondContact CE1-CD2 3.48Å; H222-H278 AromaticContact CE1-NE2 3.1Å; H222-H278 PolarHBondContact CE1-NE2 2.77Å; H222-H278 AromaticContact NE2-CD2 3.88Å; H222-H278 AromaticContact NE2-NE2 3.18Å; H222-H278 PolarHBondContact NE2-NE2 2.97Å; H222-H278 VanDerWaalsContact NE2-NE2 3.18Å |
| 223 | K | 97.4 | Very high | 98.2 | Very high | 75 Ų | 75 | 32.9 Ų | 32.9 | 33% | 0.326 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -78.3 | -37.9 | -173.6 | -171.1 | 175.8 | -169.5 | 174.7 | 0 | 113.6 | H185 L187 H219 G221 | H185-K223 HydrophobicContact CB-CD 4.33Å; H185-K223 PolarHBondContact O-NZ 3.27Å; L187-K223 HydrophobicContact CD2-CB 4.49Å; L187-K223 HydrophobicContact CD2-CD 4.21Å; L187-K223 HydrophobicContact CG-CD 4.43Å; H219-K223 WeakPolarHBondContact O-CB 3.28Å; H219-K223 PolarHBondContact O-N 3.39Å; G221-K223 VanDerWaalsContact C-N 3.33Å; G221-K223 PolarHBondContact O-N 3.13Å |
| 224 | Y | 97.5 | Very high | 98.2 | Very high | 103 Ų | 103 | 33 Ų | 33 | 40% | 0.404 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -133.7 | -15.1 | -168.2 | -61.6 | -57.9 | 0 | 0 | 0 | 114.7 | L187 C220 H228 E230 | L187-Y224 HydrophobicContact CD1-CD2 4.15Å; L187-Y224 HydrophobicContact CD1-CE2 3.8Å; C220-Y224 PolarHBondContact O-N 2.89Å; Y224-H228 VanDerWaalsContact CB-CB 3.48Å; Y224-H228 AromaticContact CD2-ND1 3.8Å; Y224-H228 HydrophobicContact CG-CB 4.36Å; Y224-H228 AromaticContact CG-CE1 3.98Å; Y224-H228 AromaticContact CG-CG 3.88Å; Y224-H228 AromaticContact CG-ND1 3.63Å; Y224-E230 HydrophobicContact CD2-CB 4.07Å; Y224-E230 HydrophobicContact CD2-CG 4.43Å; Y224-E230 HydrophobicContact CE2-CB 4.21Å; Y224-E230 HydrophobicContact CE2-CG 4.14Å |
| 225 | G | 97.8 | Very high | 98.2 | Very high | 7 Ų | 7 | 33 Ų | 33 | 7% | 0.072 | 16% | 0.158 | C | C | . | . | trans | 76.6 | 160.3 | -167.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | C220 G221 S227 H228 | C220-G225 PolarHBondContact O-N 2.96Å; G221-G225 WeakPolarHBondContact O-CA 3.33Å; G221-G225 PolarHBondContact O-N 2.83Å; G225-S227 PolarHBondContact O-N 3.28Å; G225-H228 PolarHBondContact O-N 3.23Å | ||
| 226 | P | 97.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -26.1 | -178.1 | 24.9 | -35.4 | 0 | 0 | 0 | 113.7 | F72 Y83 H228 M231 M272 Q274 | F72-P226 HydrophobicContact CE1-CB 4.28Å; F72-P226 HydrophobicContact CZ-CB 3.97Å; Y83-P226 HydrophobicContact CD1-CB 4.06Å; Y83-P226 WeakPolarHBondContact CD1-O 3.39Å; Y83-P226 HydrophobicContact CE1-CB 4.23Å; Y83-P226 HydrophobicContact CG-CB 4.49Å; P226-H228 PolarHBondContact O-N 2.87Å; P226-M231 HydrophobicContact CB-CE 4.21Å; P226-M231 HydrophobicContact CB-CG 4.42Å; P226-M231 VanDerWaalsContact O-CB 3.24Å; P226-M231 WeakPolarHBondContact O-CB 3.4Å; P226-M231 WeakPolarHBondContact O-CG 3.33Å; P226-M272 HydrophobicContact CB-SD 4.21Å; P226-M272 HydrophobicContact CG-SD 4.41Å; P226-Q274 WeakPolarHBondContact CD-O 3.35Å |
| 227 | S | 97.9 | Very high | 98.3 | Very high | 66 Ų | 66 | 36.5 Ų | 36.5 | 46% | 0.462 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | 1.2 | -178.2 | -60.6 | 0 | 0 | 0 | 0 | 114.4 | I82 G225 | I82-S227 VanDerWaalsContact CG2-O 3.25Å; I82-S227 WeakPolarHBondContact CG2-O 3.28Å; G225-S227 PolarHBondContact O-N 3.28Å |
| 228 | H | 98.1 | Very high | 98.2 | Very high | 67 Ų | 67 | 36.5 Ų | 36.5 | 31% | 0.31 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -85.9 | 147 | 179.6 | -168.3 | -101 | 0 | 0 | 0 | 112.5 | Y224 G225 P226 E230 M231 | Y224-H228 VanDerWaalsContact CB-CB 3.48Å; Y224-H228 AromaticContact CD2-ND1 3.8Å; Y224-H228 HydrophobicContact CG-CB 4.36Å; Y224-H228 AromaticContact CG-CE1 3.98Å; Y224-H228 AromaticContact CG-CG 3.88Å; Y224-H228 AromaticContact CG-ND1 3.63Å; G225-H228 PolarHBondContact O-N 3.23Å; P226-H228 PolarHBondContact O-N 2.87Å; H228-E230 WeakPolarHBondContact ND1-CB 3.5Å; H228-E230 PolarHBondContact ND1-N 2.98Å; H228-E230 PolarHBondContact O-N 3.36Å; H228-E230 VanDerWaalsContact O-N 3.14Å; H228-M231 WeakPolarHBondContact O-CB 3.32Å; H228-M231 PolarHBondContact O-N 2.58Å |
| 229 | P | 98.3 | Very high | 98.2 | Very high | 69 Ų | 69 | 36.4 Ų | 36.4 | 45% | 0.448 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -55.9 | -29.5 | 177.7 | -27.9 | 35.3 | 0 | 0 | 0 | 115.4 | I82 M231 A232 R233 | I82-P229 HydrophobicContact CD1-CB 3.97Å; I82-P229 HydrophobicContact CD1-CG 3.82Å; P229-M231 VanDerWaalsContact C-N 3.31Å; P229-M231 PolarHBondContact O-N 2.89Å; P229-A232 WeakPolarHBondContact O-CB 3.44Å; P229-A232 PolarHBondContact O-N 3.12Å; P229-R233 PolarHBondContact O-N 2.85Å |
| 230 | E | 98.2 | Very high | 98.2 | Very high | 42 Ų | 42 | 39.9 Ų | 39.9 | 20% | 0.196 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.1 | -33.6 | 175.8 | -70.5 | -59 | 135.8 | 0 | 0 | 112.3 | L187 Y224 H228 A232 R233 K234 | L187-E230 HydrophobicContact CD1-CB 4.47Å; Y224-E230 HydrophobicContact CD2-CB 4.07Å; Y224-E230 HydrophobicContact CD2-CG 4.43Å; Y224-E230 HydrophobicContact CE2-CB 4.21Å; Y224-E230 HydrophobicContact CE2-CG 4.14Å; H228-E230 WeakPolarHBondContact ND1-CB 3.5Å; H228-E230 PolarHBondContact ND1-N 2.98Å; H228-E230 PolarHBondContact O-N 3.36Å; H228-E230 VanDerWaalsContact O-N 3.14Å; E230-A232 VanDerWaalsContact C-N 3.31Å; E230-A232 PolarHBondContact O-N 3.38Å; E230-R233 WeakPolarHBondContact O-CB 2.81Å; E230-R233 PolarHBondContact O-N 3.31Å; E230-R233 VanDerWaalsContact O-N 3.08Å; E230-R233 WeakPolarHBondContact OE1-CD 3.39Å; E230-R233 IonicContact OE1-CZ 3.82Å; E230-R233 IonicContact OE1-NE 3.19Å; E230-R233 IonicContact OE1-NH1 3.72Å; E230-R233 PolarHBondContact OE1-NH1 3.08Å; E230-R233 IonicContact OE2-NE 3.86Å; E230-R233 IonicContact OE2-NH1 2.93Å; E230-K234 WeakPolarHBondContact O-CG 3.24Å; E230-K234 PolarHBondContact O-N 2.85Å |
| 231 | M | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.9 | -45.6 | 174.4 | -180 | 60.7 | 78.1 | 0 | 0 | 110.3 | F72 V217 C220 P226 H228 P229 R233 K234 L235 M272 | F72-M231 HydrophobicContact CE2-SD 4.2Å; F72-M231 HydrophobicContact CZ-CE 4.46Å; F72-M231 HydrophobicContact CZ-SD 4.38Å; V217-M231 HydrophobicContact CG1-CE 4.39Å; V217-M231 HydrophobicContact CG1-SD 3.97Å; V217-M231 WeakPolarHBondContact O-CE 3.13Å; C220-M231 HydrophobicContact CB-CE 4.04Å; C220-M231 HydrophobicContact CB-SD 4.44Å; C220-M231 VanDerWaalsContact SG-CA 3.51Å; C220-M231 PolarHBondContact SG-N 2.9Å; P226-M231 HydrophobicContact CB-CE 4.21Å; P226-M231 HydrophobicContact CB-CG 4.42Å; P226-M231 VanDerWaalsContact O-CB 3.24Å; P226-M231 WeakPolarHBondContact O-CB 3.4Å; P226-M231 WeakPolarHBondContact O-CG 3.33Å; H228-M231 WeakPolarHBondContact O-CB 3.32Å; H228-M231 PolarHBondContact O-N 2.58Å; P229-M231 VanDerWaalsContact C-N 3.31Å; P229-M231 PolarHBondContact O-N 2.89Å; M231-R233 PolarHBondContact O-N 3.23Å; M231-K234 PolarHBondContact O-N 2.87Å; M231-K234 VanDerWaalsContact O-N 3.14Å; M231-L235 HydrophobicContact CG-CD1 3.96Å; M231-L235 HydrophobicContact CG-CG 4.27Å; M231-L235 VanDerWaalsContact O-CG 3.32Å; M231-L235 WeakPolarHBondContact O-CG 3.27Å; M231-L235 PolarHBondContact O-N 3.3Å; M231-L235 HydrophobicContact SD-CD1 4.28Å; M231-L235 HydrophobicContact SD-CD2 4.3Å; M231-L235 HydrophobicContact SD-CG 4.08Å; M231-M272 HydrophobicContact CE-CE 3.97Å; M231-M272 HydrophobicContact CE-SD 3.83Å |
| 232 | A | 98.5 | Very high | 97.9 | Very high | 5 Ų | 5 | 40.1 Ų | 40.1 | 4% | 0.041 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.5 | -35 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | I82 R86 P229 E230 S236 | I82-A232 HydrophobicContact CG1-CB 3.98Å; I82-A232 WeakPolarHBondContact O-CB 3.23Å; R86-A232 HydrophobicContact CG-CB 4.34Å; P229-A232 WeakPolarHBondContact O-CB 3.44Å; P229-A232 PolarHBondContact O-N 3.12Å; E230-A232 VanDerWaalsContact C-N 3.31Å; E230-A232 PolarHBondContact O-N 3.38Å; A232-S236 WeakPolarHBondContact O-CB 2.9Å; A232-S236 PolarHBondContact O-N 3.46Å; A232-S236 VanDerWaalsContact O-N 3.09Å; A232-S236 PolarHBondContact O-OG 3.18Å |
| 233 | R | 98.6 | Very high | 97.6 | Very high | 162 Ų | 162 | 39.2 Ų | 39.2 | 61% | 0.611 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -70.5 | -42.8 | 175.6 | -64.9 | 174.8 | 71.3 | 164.4 | 6.6 | 111.4 | P229 E230 M231 S236 Q237 | P229-R233 PolarHBondContact O-N 2.85Å; E230-R233 WeakPolarHBondContact O-CB 2.81Å; E230-R233 PolarHBondContact O-N 3.31Å; E230-R233 VanDerWaalsContact O-N 3.08Å; E230-R233 WeakPolarHBondContact OE1-CD 3.39Å; E230-R233 IonicContact OE1-CZ 3.82Å; E230-R233 IonicContact OE1-NE 3.19Å; E230-R233 IonicContact OE1-NH1 3.72Å; E230-R233 PolarHBondContact OE1-NH1 3.08Å; E230-R233 IonicContact OE2-NE 3.86Å; E230-R233 IonicContact OE2-NH1 2.93Å; M231-R233 PolarHBondContact O-N 3.23Å; R233-S236 PolarHBondContact O-N 3.04Å; R233-Q237 PolarHBondContact O-N 3.1Å |
| 234 | K | 98.7 | Very high | 97.1 | Very high | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.009 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.4 | -46.5 | 176.1 | -70.7 | -56.8 | -50.3 | -175.3 | 0 | 112.3 | L187 D191 G216 V217 C220 E230 M231 S236 Q237 M238 | L187-K234 HydrophobicContact CB-CD 4.41Å; L187-K234 PolarHBondContact O-NZ 3Å; D191-K234 WeakPolarHBondContact OD2-CE 3.31Å; D191-K234 IonicContact OD2-NZ 3.85Å; D191-K234 PolarHBondContact OD2-NZ 2.74Å; G216-K234 VanDerWaalsContact C-CE 3.45Å; G216-K234 WeakPolarHBondContact O-CE 3.1Å; V217-K234 HydrophobicContact CG2-CB 4.28Å; C220-K234 HydrophobicContact CB-CG 4.16Å; E230-K234 WeakPolarHBondContact O-CG 3.24Å; E230-K234 PolarHBondContact O-N 2.85Å; M231-K234 PolarHBondContact O-N 2.87Å; M231-K234 VanDerWaalsContact O-N 3.14Å; K234-S236 VanDerWaalsContact C-N 3.32Å; K234-S236 PolarHBondContact O-N 3.39Å; K234-Q237 WeakPolarHBondContact O-CB 3.49Å; K234-Q237 PolarHBondContact O-N 3.35Å; K234-M238 WeakPolarHBondContact O-CG 3.29Å; K234-M238 PolarHBondContact O-N 3.28Å; K234-M238 VanDerWaalsContact O-N 3.07Å |
| 235 | L | 98.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.5 | -38.6 | 175.5 | -61.6 | 173.9 | 0 | 0 | 0 | 111.9 | L68 F72 Y83 R86 F87 V217 M231 Q237 M238 D239 | L68-L235 HydrophobicContact CD1-CD2 4.27Å; F72-L235 HydrophobicContact CB-CD1 4.03Å; F72-L235 HydrophobicContact CB-CD2 4.01Å; F72-L235 HydrophobicContact CD1-CD1 4.14Å; F72-L235 HydrophobicContact CD2-CD1 3.97Å; F72-L235 HydrophobicContact CD2-CD2 3.42Å; F72-L235 VanDerWaalsContact CD2-CD2 3.42Å; F72-L235 HydrophobicContact CD2-CG 4.32Å; F72-L235 HydrophobicContact CE2-CD1 4.43Å; F72-L235 HydrophobicContact CE2-CD2 4.07Å; F72-L235 HydrophobicContact CG-CD1 3.79Å; F72-L235 HydrophobicContact CG-CD2 3.92Å; Y83-L235 VanDerWaalsContact O-CD1 3.32Å; Y83-L235 WeakPolarHBondContact O-CD1 3.5Å; R86-L235 HydrophobicContact CB-CB 3.66Å; R86-L235 HydrophobicContact CB-CD1 4.45Å; R86-L235 HydrophobicContact CG-CB 4.2Å; R86-L235 HydrophobicContact CG-CD1 4.39Å; F87-L235 HydrophobicContact CD2-CB 4.49Å; F87-L235 HydrophobicContact CE2-CB 4.03Å; F87-L235 HydrophobicContact CE2-CD2 3.97Å; V217-L235 HydrophobicContact CG1-CD2 4.09Å; V217-L235 HydrophobicContact CG2-CD2 3.97Å; M231-L235 HydrophobicContact CG-CD1 3.96Å; M231-L235 HydrophobicContact CG-CG 4.27Å; M231-L235 VanDerWaalsContact O-CG 3.32Å; M231-L235 WeakPolarHBondContact O-CG 3.27Å; M231-L235 PolarHBondContact O-N 3.3Å; M231-L235 HydrophobicContact SD-CD1 4.28Å; M231-L235 HydrophobicContact SD-CD2 4.3Å; M231-L235 HydrophobicContact SD-CG 4.08Å; L235-Q237 VanDerWaalsContact C-N 3.35Å; L235-Q237 PolarHBondContact O-N 3.15Å; L235-M238 PolarHBondContact O-N 3.13Å; L235-D239 PolarHBondContact O-N 3.31Å |
| 236 | S | 98.6 | Very high | 95.2 | Very high | 37 Ų | 37 | 38 Ų | 38 | 26% | 0.259 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -65.9 | -36.6 | 175 | -55.4 | 0 | 0 | 0 | 0 | 112.2 | A232 R233 K234 M238 D239 D240 | A232-S236 WeakPolarHBondContact O-CB 2.9Å; A232-S236 PolarHBondContact O-N 3.46Å; A232-S236 VanDerWaalsContact O-N 3.09Å; A232-S236 PolarHBondContact O-OG 3.18Å; R233-S236 PolarHBondContact O-N 3.04Å; K234-S236 VanDerWaalsContact C-N 3.32Å; K234-S236 PolarHBondContact O-N 3.39Å; S236-M238 VanDerWaalsContact C-N 3.31Å; S236-M238 PolarHBondContact O-N 3.45Å; S236-D239 PolarHBondContact O-N 3.01Å; S236-D240 PolarHBondContact O-N 3.11Å |
| 237 | Q | 98.5 | Very high | 94 | Very high | 41 Ų | 41 | 41.4 Ų | 41.4 | 19% | 0.192 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.8 | -39.5 | 173.4 | -175.1 | -173.9 | 20 | 0 | 0 | 111.4 | L195 R233 K234 L235 D240 M241 | L195-Q237 HydrophobicContact CD1-CG 4.32Å; L195-Q237 VanDerWaalsContact CD1-NE2 3.32Å; R233-Q237 PolarHBondContact O-N 3.1Å; K234-Q237 WeakPolarHBondContact O-CB 3.49Å; K234-Q237 PolarHBondContact O-N 3.35Å; L235-Q237 VanDerWaalsContact C-N 3.35Å; L235-Q237 PolarHBondContact O-N 3.15Å; Q237-D240 PolarHBondContact O-N 3.38Å; Q237-M241 WeakPolarHBondContact O-CB 3.42Å; Q237-M241 PolarHBondContact O-N 3.35Å |
| 238 | M | 98.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67.6 | -42.8 | 176.1 | -64.5 | -55.5 | 103 | 0 | 0 | 111.3 | V65 F87 D191 F214 V217 K234 L235 S236 D240 M241 V242 | V65-M238 HydrophobicContact CG1-CG 3.94Å; V65-M238 HydrophobicContact CG1-SD 4.13Å; V65-M238 HydrophobicContact CG2-CG 4.35Å; V65-M238 HydrophobicContact CG2-SD 3.97Å; F87-M238 HydrophobicContact CE1-CB 4.04Å; F87-M238 HydrophobicContact CZ-CB 3.62Å; D191-M238 WeakPolarHBondContact OD2-CE 3.35Å; F214-M238 HydrophobicContact CB-SD 4Å; F214-M238 HydrophobicContact CD1-CE 3.65Å; F214-M238 HydrophobicContact CD1-SD 3.8Å; F214-M238 HydrophobicContact CD2-SD 4.34Å; F214-M238 HydrophobicContact CE1-CE 4.01Å; F214-M238 HydrophobicContact CE1-SD 4.32Å; F214-M238 HydrophobicContact CG-CE 4.26Å; F214-M238 HydrophobicContact CG-SD 3.8Å; V217-M238 HydrophobicContact CG2-CG 4.09Å; K234-M238 WeakPolarHBondContact O-CG 3.29Å; K234-M238 PolarHBondContact O-N 3.28Å; K234-M238 VanDerWaalsContact O-N 3.07Å; L235-M238 PolarHBondContact O-N 3.13Å; S236-M238 VanDerWaalsContact C-N 3.31Å; S236-M238 PolarHBondContact O-N 3.45Å; M238-D240 VanDerWaalsContact C-N 3.34Å; M238-D240 PolarHBondContact O-N 3.27Å; M238-M241 WeakPolarHBondContact O-CB 3.29Å; M238-M241 PolarHBondContact O-N 3.47Å; M238-M241 HydrophobicContact SD-CE 4.46Å; M238-V242 WeakPolarHBondContact O-CG2 3.42Å; M238-V242 PolarHBondContact O-N 3.15Å |
| 239 | D | 98.3 | Very high | 91.5 | Very high | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.011 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.8 | -41.8 | 173.5 | -174.5 | 63.1 | 0 | 0 | 0 | 112.5 | F87 R88 K89 V90 L235 S236 V242 N243 | F87-D239 VanDerWaalsContact CA-OD1 3.25Å; F87-D239 WeakPolarHBondContact CA-OD1 3.07Å; F87-D239 HydrophobicContact CD1-CB 3.9Å; F87-D239 HydrophobicContact CE1-CB 4.33Å; F87-D239 HydrophobicContact CG-CB 4.22Å; R88-D239 PolarHBondContact N-OD1 2.76Å; R88-D239 PolarHBondContact N-OD2 2.68Å; K89-D239 WeakPolarHBondContact CB-OD1 3.24Å; K89-D239 WeakPolarHBondContact CB-OD2 3.09Å; K89-D239 VanDerWaalsContact CG-OD2 3.25Å; K89-D239 WeakPolarHBondContact CG-OD2 2.96Å; K89-D239 PolarHBondContact N-OD1 2.83Å; K89-D239 VanDerWaalsContact N-OD1 3.09Å; K89-D239 PolarHBondContact N-OD2 2.98Å; K89-D239 VanDerWaalsContact N-OD2 3.13Å; K89-D239 IonicContact NZ-OD2 3.99Å; K89-D239 PolarHBondContact NZ-OD2 2.86Å; V90-D239 PolarHBondContact N-OD1 2.81Å; L235-D239 PolarHBondContact O-N 3.31Å; S236-D239 PolarHBondContact O-N 3.01Å; D239-V242 PolarHBondContact O-N 2.85Å; D239-N243 WeakPolarHBondContact O-CB 3.34Å; D239-N243 PolarHBondContact O-N 2.79Å |
| 240 | D | 97.6 | Very high | 90.1 | Very high | 86 Ų | 86 | 36.3 Ų | 36.3 | 46% | 0.46 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -61.1 | -43.1 | 173.4 | -76.9 | -27.3 | 0 | 0 | 0 | 112.2 | K89 S236 Q237 M238 N243 R244 | K89-D240 WeakPolarHBondContact CE-OD1 3.26Å; K89-D240 IonicContact NZ-OD1 3.94Å; K89-D240 PolarHBondContact NZ-OD1 2.72Å; S236-D240 PolarHBondContact O-N 3.11Å; Q237-D240 PolarHBondContact O-N 3.38Å; M238-D240 VanDerWaalsContact C-N 3.34Å; M238-D240 PolarHBondContact O-N 3.27Å; D240-N243 PolarHBondContact O-N 3.11Å; D240-R244 WeakPolarHBondContact O-CB 3.35Å; D240-R244 PolarHBondContact O-N 3.08Å |
| 241 | M | 96.2 | Very high | 88.2 | Confident | 3 Ų | 3 | 37.1 Ų | 37.1 | 2% | 0.015 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.8 | -48.3 | 177.9 | 174.6 | -76.2 | -61.6 | 0 | 0 | 111.4 | V63 L195 L198 Y199 F214 Q237 M238 N243 R244 K245 | V63-M241 HydrophobicContact CG1-CE 3.68Å; V63-M241 HydrophobicContact CG1-SD 4.49Å; L195-M241 HydrophobicContact CD2-CB 3.94Å; L195-M241 HydrophobicContact CD2-CG 3.68Å; L198-M241 HydrophobicContact CD2-CG 3.84Å; L198-M241 HydrophobicContact CD2-SD 3.88Å; Y199-M241 WeakPolarHBondContact OH-CA 3.49Å; F214-M241 HydrophobicContact CE2-CE 4.06Å; F214-M241 HydrophobicContact CE2-CG 4.45Å; F214-M241 HydrophobicContact CE2-SD 4.42Å; F214-M241 HydrophobicContact CZ-CE 4.33Å; F214-M241 HydrophobicContact CZ-CG 3.87Å; F214-M241 HydrophobicContact CZ-SD 4.4Å; Q237-M241 WeakPolarHBondContact O-CB 3.42Å; Q237-M241 PolarHBondContact O-N 3.35Å; M238-M241 WeakPolarHBondContact O-CB 3.29Å; M238-M241 PolarHBondContact O-N 3.47Å; M238-M241 HydrophobicContact SD-CE 4.46Å; M241-N243 PolarHBondContact O-N 3.39Å; M241-R244 PolarHBondContact O-N 3.46Å; M241-K245 WeakPolarHBondContact O-CB 3.15Å; M241-K245 PolarHBondContact O-N 3.17Å |
| 242 | V | 94.1 | Very high | 86.5 | Confident | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.006 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.4 | -50.7 | 178.2 | 175.7 | 0 | 0 | 0 | 0 | 109.8 | V90 M238 D239 R244 K245 L246 L264 V266 F291 | V90-V242 HydrophobicContact CG2-CB 4.17Å; V90-V242 HydrophobicContact CG2-CG1 3.75Å; M238-V242 WeakPolarHBondContact O-CG2 3.42Å; M238-V242 PolarHBondContact O-N 3.15Å; D239-V242 PolarHBondContact O-N 2.85Å; V242-R244 PolarHBondContact O-N 3.13Å; V242-K245 PolarHBondContact O-N 3.3Å; V242-L246 HydrophobicContact CG1-CD1 4.19Å; V242-L246 VanDerWaalsContact O-CG 3.3Å; V242-L246 WeakPolarHBondContact O-CG 3.22Å; V242-L246 PolarHBondContact O-N 3.05Å; V242-L246 VanDerWaalsContact O-N 3.14Å; V242-L264 HydrophobicContact CG1-CD2 4.2Å; V242-V266 HydrophobicContact CG2-CG1 4.18Å; V242-V266 HydrophobicContact CG2-CG2 3.77Å; V242-F291 HydrophobicContact CG1-CD1 4.39Å; V242-F291 HydrophobicContact CG1-CE1 3.9Å |
| 243 | N | 91.3 | Very high | 84.5 | Confident | 56 Ų | 56 | 40.9 Ų | 40.9 | 30% | 0.299 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -61.9 | -44.2 | -179.5 | -178.2 | 80.9 | 0 | 0 | 0 | 113.3 | K89 D239 D240 M241 K245 L246 C247 | K89-N243 HydrophobicContact CB-CB 3.93Å; K89-N243 HydrophobicContact CD-CB 3.31Å; K89-N243 HydrophobicContact CG-CB 4.22Å; D239-N243 WeakPolarHBondContact O-CB 3.34Å; D239-N243 PolarHBondContact O-N 2.79Å; D240-N243 PolarHBondContact O-N 3.11Å; M241-N243 PolarHBondContact O-N 3.39Å; N243-K245 VanDerWaalsContact C-N 3.28Å; N243-K245 PolarHBondContact O-N 3.16Å; N243-L246 WeakPolarHBondContact O-CB 3.37Å; N243-L246 PolarHBondContact O-N 3.14Å; N243-C247 PolarHBondContact O-N 3.41Å; N243-C247 VanDerWaalsContact O-N 3.07Å; N243-C247 PolarHBondContact O-SG 3Å |
| 244 | R | 86 | Confident | 82.2 | Confident | 150 Ų | 150 | 39.1 Ų | 39.1 | 57% | 0.566 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -62.8 | -37.9 | 179.2 | -177 | 169.9 | 172.6 | 178.2 | 1.1 | 111.7 | Y199 D240 M241 V242 L246 C247 V248 | Y199-R244 HydrophobicContact CD1-CG 4.06Å; Y199-R244 HydrophobicContact CE1-CB 3.77Å; Y199-R244 HydrophobicContact CE1-CG 3.53Å; Y199-R244 HydrophobicContact CE2-CG 4.38Å; Y199-R244 VanDerWaalsContact CZ-CD 3.47Å; D240-R244 WeakPolarHBondContact O-CB 3.35Å; D240-R244 PolarHBondContact O-N 3.08Å; M241-R244 PolarHBondContact O-N 3.46Å; V242-R244 PolarHBondContact O-N 3.13Å; R244-L246 VanDerWaalsContact C-N 3.28Å; R244-L246 PolarHBondContact O-N 3.44Å; R244-C247 WeakPolarHBondContact O-CB 3.24Å; R244-C247 PolarHBondContact O-N 3.47Å; R244-V248 PolarHBondContact O-N 3.07Å |
| 245 | K | 78.6 | Confident | 79.7 | Confident | 3 Ų | 3 | 43.2 Ų | 43.2 | 1% | 0.013 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.4 | -36.2 | 173.6 | 166.6 | -93.6 | 170.5 | -165.5 | 0 | 111.8 | Y199 I202 M241 V242 N243 V248 M249 L264 | Y199-K245 HydrophobicContact CE1-CB 4.28Å; I202-K245 HydrophobicContact CD1-CB 4.12Å; I202-K245 HydrophobicContact CD1-CG 3.61Å; M241-K245 WeakPolarHBondContact O-CB 3.15Å; M241-K245 PolarHBondContact O-N 3.17Å; V242-K245 PolarHBondContact O-N 3.3Å; N243-K245 VanDerWaalsContact C-N 3.28Å; N243-K245 PolarHBondContact O-N 3.16Å; K245-V248 WeakPolarHBondContact O-CB 3.46Å; K245-V248 PolarHBondContact O-N 3.34Å; K245-M249 HydrophobicContact CD-SD 4.36Å; K245-M249 WeakPolarHBondContact CE-SD 3.34Å; K245-M249 PolarHBondContact NZ-SD 2.7Å; K245-M249 PolarHBondContact O-N 3.24Å; K245-L264 HydrophobicContact CD-CD1 4.08Å; K245-L264 HydrophobicContact CD-CD2 3.75Å; K245-L264 HydrophobicContact CD-CG 4.31Å |
| 246 | L | 78.8 | Confident | 77 | Confident | 5 Ų | 5 | 52.9 Ų | 52.9 | 3% | 0.026 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -68.1 | -38.8 | 177.7 | -62.7 | 170 | 0 | 0 | 0 | 111.9 | L93 V242 N243 R244 V248 M249 N250 Y293 | L93-L246 HydrophobicContact CD1-CD1 3.09Å; L93-L246 HydrophobicContact CD2-CD1 4.19Å; L93-L246 HydrophobicContact CG-CD1 4.25Å; V242-L246 HydrophobicContact CG1-CD1 4.19Å; V242-L246 VanDerWaalsContact O-CG 3.3Å; V242-L246 WeakPolarHBondContact O-CG 3.22Å; V242-L246 PolarHBondContact O-N 3.05Å; V242-L246 VanDerWaalsContact O-N 3.14Å; N243-L246 WeakPolarHBondContact O-CB 3.37Å; N243-L246 PolarHBondContact O-N 3.14Å; R244-L246 VanDerWaalsContact C-N 3.28Å; R244-L246 PolarHBondContact O-N 3.44Å; L246-V248 VanDerWaalsContact C-N 3.26Å; L246-V248 PolarHBondContact O-N 3.22Å; L246-M249 PolarHBondContact O-N 2.95Å; L246-N250 WeakPolarHBondContact O-CB 3.24Å; L246-N250 PolarHBondContact O-N 3.37Å; L246-Y293 HydrophobicContact CD2-CD1 3.08Å; L246-Y293 HydrophobicContact CD2-CD2 4.03Å; L246-Y293 HydrophobicContact CD2-CE1 3.25Å; L246-Y293 HydrophobicContact CD2-CE2 4.17Å; L246-Y293 HydrophobicContact CD2-CG 3.5Å; L246-Y293 VanDerWaalsContact CD2-CG 3.5Å |
| 247 | C | 70.7 | Confident | 74.2 | Confident | 72 Ų | 72 | 58.1 Ų | 58.1 | 49% | 0.486 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -56.1 | -42.7 | 170.7 | -62.8 | 0 | 0 | 0 | 0 | 111.8 | N243 R244 A251 | N243-C247 PolarHBondContact O-N 3.41Å; N243-C247 VanDerWaalsContact O-N 3.07Å; N243-C247 PolarHBondContact O-SG 3Å; R244-C247 WeakPolarHBondContact O-CB 3.24Å; R244-C247 PolarHBondContact O-N 3.47Å; C247-A251 VanDerWaalsContact O-CB 3.29Å; C247-A251 WeakPolarHBondContact O-CB 3.43Å; C247-A251 PolarHBondContact O-N 3.37Å |
| 248 | V | 73.4 | Confident | 71.5 | Confident | 19 Ų | 19 | 57.1 Ų | 57.1 | 12% | 0.115 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65 | -42.2 | 177.4 | 176 | 0 | 0 | 0 | 0 | 111.6 | Y199 I202 E203 R244 K245 L246 R252 | Y199-V248 HydrophobicContact CD1-CG2 4.34Å; I202-V248 HydrophobicContact CG2-CG1 3.78Å; E203-V248 HydrophobicContact CG-CG1 3.77Å; R244-V248 PolarHBondContact O-N 3.07Å; K245-V248 WeakPolarHBondContact O-CB 3.46Å; K245-V248 PolarHBondContact O-N 3.34Å; L246-V248 VanDerWaalsContact C-N 3.26Å; L246-V248 PolarHBondContact O-N 3.22Å; V248-R252 WeakPolarHBondContact O-CG 3.33Å; V248-R252 PolarHBondContact O-N 3.21Å |
| 249 | M | 71.1 | Confident | 69.1 | Low | 12 Ų | 12 | 60.3 Ų | 60.3 | 6% | 0.059 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.3 | -44.3 | 177 | -78.8 | -168.8 | 54.6 | 0 | 0 | 112.6 | I61 K245 L246 R252 N253 T262 T295 | I61-M249 HydrophobicContact CD1-SD 4.47Å; K245-M249 HydrophobicContact CD-SD 4.36Å; K245-M249 WeakPolarHBondContact CE-SD 3.34Å; K245-M249 PolarHBondContact NZ-SD 2.7Å; K245-M249 PolarHBondContact O-N 3.24Å; L246-M249 PolarHBondContact O-N 2.95Å; M249-R252 PolarHBondContact O-N 3.33Å; M249-N253 PolarHBondContact O-N 3.04Å; M249-T262 HydrophobicContact CE-CG2 4.15Å; M249-T262 HydrophobicContact SD-CG2 4.24Å; M249-T295 HydrophobicContact CE-CG2 4.23Å |
| 250 | N | 68.3 | Low | 67 | Low | 65 Ų | 65 | 63.6 Ų | 63.6 | 35% | 0.348 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -66.6 | -39.6 | 179.2 | -71.6 | -17 | 0 | 0 | 0 | 111.7 | L246 R252 N253 V254 T295 | L246-N250 WeakPolarHBondContact O-CB 3.24Å; L246-N250 PolarHBondContact O-N 3.37Å; N250-R252 VanDerWaalsContact C-N 3.3Å; N250-R252 PolarHBondContact O-N 2.91Å; N250-N253 PolarHBondContact O-N 3.28Å; N250-V254 WeakPolarHBondContact O-CG2 3.31Å; N250-V254 PolarHBondContact O-N 2.71Å; N250-T295 WeakPolarHBondContact OD1-CG2 3.49Å |
| 251 | A | 59.1 | Low | 66 | Low | 59 Ų | 59 | 61.3 Ų | 61.3 | 49% | 0.488 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.8 | -38.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | C247 V254 | C247-A251 VanDerWaalsContact O-CB 3.29Å; C247-A251 WeakPolarHBondContact O-CB 3.43Å; C247-A251 PolarHBondContact O-N 3.37Å; A251-V254 PolarHBondContact O-N 3.5Å |
| 252 | R | 62.8 | Low | 65.5 | Low | 32 Ų | 32 | 61.6 Ų | 61.6 | 12% | 0.121 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.3 | -40.7 | 174.9 | -76.5 | 172.8 | 151.6 | -124.6 | 3.6 | 112.5 | R59 I202 E203 S204 N205 V248 M249 N250 V254 T255 T258 | R59-R252 VanDerWaalsContact NH2-NH1 3.19Å; I202-R252 PolarHBondContact O-NE 3.27Å; I202-R252 PolarHBondContact O-NH2 3.37Å; E203-R252 PolarHBondContact O-NH2 2.9Å; S204-R252 PolarHBondContact O-NH2 3.46Å; N205-R252 PolarHBondContact OD1-NH1 3.45Å; N205-R252 PolarHBondContact OD1-NH2 3.46Å; N205-R252 VanDerWaalsContact OD1-NH2 3.1Å; V248-R252 WeakPolarHBondContact O-CG 3.33Å; V248-R252 PolarHBondContact O-N 3.21Å; M249-R252 PolarHBondContact O-N 3.33Å; N250-R252 VanDerWaalsContact C-N 3.3Å; N250-R252 PolarHBondContact O-N 2.91Å; R252-V254 VanDerWaalsContact C-N 3.33Å; R252-V254 PolarHBondContact O-N 2.93Å; R252-T255 PolarHBondContact O-N 3.48Å; R252-T255 VanDerWaalsContact O-N 3.08Å; R252-T255 PolarHBondContact O-OG1 3.37Å; R252-T258 HydrophobicContact CB-CG2 4.27Å; R252-T258 WeakPolarHBondContact CB-OG1 3.44Å; R252-T258 PolarHBondContact O-OG1 3.11Å |
| 253 | N | 55.9 | Low | 65.2 | Low | 52 Ų | 52 | 61.6 Ų | 61.6 | 28% | 0.278 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.9 | -37 | 177.6 | -73.7 | -1.2 | 0 | 0 | 0 | 112.6 | M249 N250 T255 K256 T258 T295 | M249-N253 PolarHBondContact O-N 3.04Å; N250-N253 PolarHBondContact O-N 3.28Å; N253-T255 PolarHBondContact O-N 3.47Å; N253-K256 PolarHBondContact O-N 3.18Å; N253-T258 PolarHBondContact N-OG1 2.92Å; N253-T258 PolarHBondContact OD1-O 2.96Å; N253-T258 VanDerWaalsContact OD1-O 3.13Å; N253-T258 PolarHBondContact OD1-OG1 3.05Å; N253-T295 VanDerWaalsContact ND2-CB 3.28Å; N253-T295 WeakPolarHBondContact ND2-CB 3.45Å; N253-T295 VanDerWaalsContact ND2-CG2 3.33Å; N253-T295 WeakPolarHBondContact ND2-CG2 3.12Å; N253-T295 PolarHBondContact ND2-OG1 3.16Å; N253-T295 VanDerWaalsContact ND2-OG1 3.09Å |
| 254 | V | 51 | Low | 65.3 | Low | 124 Ų | 124 | 59 Ų | 59 | 75% | 0.752 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -61.2 | -31.6 | 175.4 | 176.9 | 0 | 0 | 0 | 0 | 111.5 | N250 A251 R252 K256 | N250-V254 WeakPolarHBondContact O-CG2 3.31Å; N250-V254 PolarHBondContact O-N 2.71Å; A251-V254 PolarHBondContact O-N 3.5Å; R252-V254 VanDerWaalsContact C-N 3.33Å; R252-V254 PolarHBondContact O-N 2.93Å; V254-K256 VanDerWaalsContact C-N 3.32Å; V254-K256 PolarHBondContact O-N 2.98Å |
| 255 | T | 46 | Very low | 65.6 | Low | 88 Ų | 88 | 52.2 Ų | 52.2 | 54% | 0.54 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 26.7 | -179.3 | 60.5 | 0 | 0 | 0 | 0 | 114.8 | R252 N253 L257 | R252-T255 PolarHBondContact O-N 3.48Å; R252-T255 VanDerWaalsContact O-N 3.08Å; R252-T255 PolarHBondContact O-OG1 3.37Å; N253-T255 PolarHBondContact O-N 3.47Å; T255-L257 PolarHBondContact O-N 2.97Å |
| 256 | K | 41.3 | Very low | 66.5 | Low | 204 Ų | 204 | 52.1 Ų | 52.1 | 89% | 0.887 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | -0.2 | 174.4 | -74.2 | -171.8 | 177.9 | -177.9 | 0 | 117.9 | N253 V254 | N253-K256 PolarHBondContact O-N 3.18Å; V254-K256 VanDerWaalsContact C-N 3.32Å; V254-K256 PolarHBondContact O-N 2.98Å |
| 257 | L | 40.5 | Very low | 67.3 | Low | 146 Ų | 146 | 52.4 Ų | 52.4 | 76% | 0.764 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -102.1 | 1.3 | -172.5 | -98.8 | 145.8 | 0 | 0 | 0 | 113.1 | T255 | T255-L257 PolarHBondContact O-N 2.97Š|
| 258 | T | 41.7 | Very low | 68.5 | Low | 20 Ų | 20 | 49 Ų | 49 | 12% | 0.123 | 27% | 0.274 | C | S | . | . | trans | -134.9 | 108.4 | 165.5 | 53.7 | 0 | 0 | 0 | 0 | 110.2 | R252 N253 | R252-T258 HydrophobicContact CB-CG2 4.27Å; R252-T258 WeakPolarHBondContact CB-OG1 3.44Å; R252-T258 PolarHBondContact O-OG1 3.11Å; N253-T258 PolarHBondContact N-OG1 2.92Å; N253-T258 PolarHBondContact OD1-O 2.96Å; N253-T258 VanDerWaalsContact OD1-O 3.13Å; N253-T258 PolarHBondContact OD1-OG1 3.05Å | ||
| 259 | S | 47.8 | Very low | 69.5 | Low | 67 Ų | 67 | 48 Ų | 48 | 47% | 0.469 | 27% | 0.269 | S | S | . | . | trans | -58.9 | 165.3 | 156.3 | 152.8 | 0 | 0 | 0 | 0 | 110.3 | D261 | S259-D261 VanDerWaalsContact CB-OD1 3.3Å; S259-D261 WeakPolarHBondContact CB-OD1 3.42Å; S259-D261 WeakPolarHBondContact O-CB 3.11Å; S259-D261 PolarHBondContact O-N 2.85Å; S259-D261 PolarHBondContact OG-OD1 3.02Å | ||
| 260 | P | 54.2 | Low | 70.7 | Confident | 71 Ų | 71 | 47.5 Ų | 47.5 | 46% | 0.461 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -45.8 | 53.7 | 170.6 | 16.4 | -33.9 | 0 | 0 | 0 | 118.2 | Y57 S296 | Y57-P260 WeakPolarHBondContact CD1-O 3.49Å; P260-S296 VanDerWaalsContact CA-OG 3.26Å; P260-S296 WeakPolarHBondContact CA-OG 3.25Å; P260-S296 WeakPolarHBondContact CB-OG 3.41Å; P260-S296 PolarHBondContact O-OG 3.17Å |
| 261 | D | 76.4 | Confident | 72 | Confident | 38 Ų | 38 | 44.4 Ų | 44.4 | 20% | 0.203 | 25% | 0.25 | C | C | . | . | trans | -110.4 | -1.8 | -158.5 | -73.2 | 10 | 0 | 0 | 0 | 114.7 | Y57 R58 R59 S259 | Y57-D261 CarbonylContact C-O 3.53Å; Y57-D261 WeakPolarHBondContact CB-O 3.43Å; R58-D261 HydrophobicContact CB-CB 4.04Å; R58-D261 PolarHBondContact N-O 3.1Å; R59-D261 PolarHBondContact N-O 2.95Å; S259-D261 VanDerWaalsContact CB-OD1 3.3Å; S259-D261 WeakPolarHBondContact CB-OD1 3.42Å; S259-D261 WeakPolarHBondContact O-CB 3.11Å; S259-D261 PolarHBondContact O-N 2.85Å; S259-D261 PolarHBondContact OG-OD1 3.02Å | ||
| 262 | T | 86.2 | Confident | 73.9 | Confident | 10 Ų | 10 | 41.6 Ų | 41.6 | 6% | 0.061 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 133.2 | -175 | -54.5 | 0 | 0 | 0 | 0 | 112.1 | R59 I61 W207 M249 S294 | R59-T262 HydrophobicContact CB-CG2 4.27Å; R59-T262 PolarHBondContact NE-OG1 2.92Å; R59-T262 PolarHBondContact NH2-OG1 2.63Å; R59-T262 VanDerWaalsContact O-CA 3.32Å; R59-T262 WeakPolarHBondContact O-CA 3.31Å; I61-T262 HydrophobicContact CD1-CG2 3.94Å; I61-T262 HydrophobicContact CG1-CG2 4.02Å; W207-T262 HydrophobicContact CH2-CG2 4.17Å; M249-T262 HydrophobicContact CE-CG2 4.15Å; M249-T262 HydrophobicContact SD-CG2 4.24Å; T262-S294 PolarHBondContact O-OG 3.44Å; T262-S294 VanDerWaalsContact O-OG 3.09Å |
| 263 | V | 88.9 | Confident | 75.6 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 144.4 | 168.2 | 61.5 | 0 | 0 | 0 | 0 | 110.9 | Y57 R59 S60 I61 F265 L298 | Y57-V263 HydrophobicContact CD1-CB 4.48Å; Y57-V263 HydrophobicContact CD2-CB 3.47Å; Y57-V263 VanDerWaalsContact CD2-CB 3.47Å; Y57-V263 HydrophobicContact CD2-CG1 3.45Å; Y57-V263 VanDerWaalsContact CD2-CG1 3.45Å; Y57-V263 HydrophobicContact CD2-CG2 4.34Å; Y57-V263 HydrophobicContact CE2-CB 3.71Å; Y57-V263 HydrophobicContact CE2-CG1 4.09Å; Y57-V263 HydrophobicContact CE2-CG2 4.14Å; Y57-V263 HydrophobicContact CG-CB 3.95Å; Y57-V263 HydrophobicContact CG-CG1 3.99Å; R59-V263 PolarHBondContact O-N 2.92Å; S60-V263 WeakPolarHBondContact CA-O 3.45Å; S60-V263 WeakPolarHBondContact OG-CG1 3.32Å; I61-V263 PolarHBondContact N-O 2.9Å; V263-F265 HydrophobicContact CB-CE2 4.22Å; V263-F265 HydrophobicContact CB-CZ 4.45Å; V263-F265 HydrophobicContact CG1-CD2 4.29Å; V263-F265 HydrophobicContact CG1-CE2 3.49Å; V263-F265 VanDerWaalsContact CG1-CE2 3.49Å; V263-F265 HydrophobicContact CG1-CZ 4.05Å; V263-F265 HydrophobicContact CG2-CD2 4.29Å; V263-F265 HydrophobicContact CG2-CE1 4.11Å; V263-F265 HydrophobicContact CG2-CE2 3.66Å; V263-F265 HydrophobicContact CG2-CZ 3.54Å; V263-L298 HydrophobicContact CG2-CD2 4.19Å |
| 264 | L | 92.9 | Very high | 77.5 | Confident | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 135.2 | 170.1 | 167.6 | 79.6 | 0 | 0 | 0 | 109.6 | I61 V63 V242 K245 V266 F291 A292 Y293 | I61-L264 HydrophobicContact CB-CD1 4Å; I61-L264 HydrophobicContact CG2-CD1 3.77Å; I61-L264 WeakPolarHBondContact O-CA 3.44Å; V63-L264 HydrophobicContact CG2-CD1 3.76Å; V242-L264 HydrophobicContact CG1-CD2 4.2Å; K245-L264 HydrophobicContact CD-CD1 4.08Å; K245-L264 HydrophobicContact CD-CD2 3.75Å; K245-L264 HydrophobicContact CD-CG 4.31Å; L264-V266 HydrophobicContact CD1-CG2 3.91Å; L264-V266 HydrophobicContact CD2-CG2 3.66Å; L264-V266 HydrophobicContact CG-CG2 3.81Å; L264-F291 HydrophobicContact CD2-CE1 4.29Å; L264-A292 CarbonylContact O-C 2.81Å; L264-A292 VanDerWaalsContact O-CA 3.27Å; L264-A292 WeakPolarHBondContact O-CA 3.16Å; L264-Y293 PolarHBondContact N-O 3.3Å; L264-Y293 PolarHBondContact O-N 3.44Å |
| 265 | F | 93.1 | Very high | 79.7 | Confident | 8 Ų | 8 | 40.7 Ų | 40.7 | 4% | 0.035 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 132.9 | 162.5 | -59 | -77.9 | 0 | 0 | 0 | 109.1 | I61 L62 V63 V263 F267 L290 F291 A292 L319 | I61-F265 PolarHBondContact O-N 3.47Å; L62-F265 HydrophobicContact CD2-CB 3.89Å; L62-F265 HydrophobicContact CD2-CD2 3.62Å; L62-F265 HydrophobicContact CD2-CG 4.13Å; V63-F265 PolarHBondContact N-O 3.39Å; V263-F265 HydrophobicContact CB-CE2 4.22Å; V263-F265 HydrophobicContact CB-CZ 4.45Å; V263-F265 HydrophobicContact CG1-CD2 4.29Å; V263-F265 HydrophobicContact CG1-CE2 3.49Å; V263-F265 VanDerWaalsContact CG1-CE2 3.49Å; V263-F265 HydrophobicContact CG1-CZ 4.05Å; V263-F265 HydrophobicContact CG2-CD2 4.29Å; V263-F265 HydrophobicContact CG2-CE1 4.11Å; V263-F265 HydrophobicContact CG2-CE2 3.66Å; V263-F265 HydrophobicContact CG2-CZ 3.54Å; F265-F267 HydrophobicContact CB-CD1 4.13Å; F265-F267 HydrophobicContact CB-CE1 4.38Å; F265-L290 HydrophobicContact CB-CD1 4.34Å; F265-L290 HydrophobicContact CD1-CD1 4.09Å; F265-F291 CarbonylContact C-O 3.45Å; F265-F291 WeakPolarHBondContact CA-O 3.22Å; F265-A292 HydrophobicContact CD1-CB 3.78Å; F265-A292 HydrophobicContact CE1-CB 3.75Å; F265-L319 HydrophobicContact CE1-CB 4.06Å; F265-L319 HydrophobicContact CE1-CD1 4.03Å; F265-L319 HydrophobicContact CE1-CD2 4.2Å; F265-L319 HydrophobicContact CE1-CG 4.33Å; F265-L319 HydrophobicContact CZ-CB 3.74Å; F265-L319 HydrophobicContact CZ-CD2 4.23Å; F265-L319 HydrophobicContact CZ-CG 4.41Å |
| 266 | V | 95.8 | Very high | 82.1 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.006 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 117.3 | 171.7 | -174.8 | 0 | 0 | 0 | 0 | 106.7 | V63 V65 L68 V242 L264 F291 | V63-V266 HydrophobicContact CB-CB 4.49Å; V63-V266 HydrophobicContact CB-CG1 4.4Å; V63-V266 HydrophobicContact CB-CG2 4.17Å; V63-V266 HydrophobicContact CG1-CG1 4.4Å; V63-V266 CarbonylContact O-C 3.6Å; V63-V266 VanDerWaalsContact O-CA 3.27Å; V63-V266 WeakPolarHBondContact O-CA 3.33Å; V65-V266 HydrophobicContact CG2-CG1 4.1Å; L68-V266 HydrophobicContact CD2-CG1 4.23Å; V242-V266 HydrophobicContact CG2-CG1 4.18Å; V242-V266 HydrophobicContact CG2-CG2 3.77Å; L264-V266 HydrophobicContact CD1-CG2 3.91Å; L264-V266 HydrophobicContact CD2-CG2 3.66Å; L264-V266 HydrophobicContact CG-CG2 3.81Å; V266-F291 HydrophobicContact CB-CB 4.3Å; V266-F291 HydrophobicContact CB-CD1 4.25Å; V266-F291 HydrophobicContact CG2-CD1 4.07Å; V266-F291 PolarHBondContact N-O 3.02Å; V266-F291 PolarHBondContact O-N 3.12Å |
| 267 | F | 95.3 | Very high | 84.8 | Confident | 10 Ų | 10 | 31.1 Ų | 31.1 | 4% | 0.044 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 155.2 | -173.3 | 60.9 | -81.3 | 0 | 0 | 0 | 113.1 | L62 V63 V64 V65 L121 F265 A289 L290 I316 | L62-F267 HydrophobicContact CB-CE1 4.24Å; L62-F267 HydrophobicContact CD2-CE1 4.27Å; V63-F267 PolarHBondContact O-N 2.9Å; V64-F267 WeakPolarHBondContact CA-O 3.4Å; V64-F267 HydrophobicContact CG2-CE1 4.09Å; V64-F267 HydrophobicContact CG2-CE2 3.85Å; V64-F267 HydrophobicContact CG2-CZ 3.53Å; V65-F267 PolarHBondContact N-O 3.1Å; L121-F267 HydrophobicContact CD1-CE2 3.91Å; L121-F267 HydrophobicContact CD2-CE2 4.22Å; F265-F267 HydrophobicContact CB-CD1 4.13Å; F265-F267 HydrophobicContact CB-CE1 4.38Å; F267-A289 CarbonylContact C-O 3.54Å; F267-A289 WeakPolarHBondContact CA-O 3.46Å; F267-A289 VanDerWaalsContact CB-O 3.24Å; F267-A289 WeakPolarHBondContact CB-O 3.21Å; F267-L290 HydrophobicContact CB-CB 4.27Å; F267-L290 HydrophobicContact CB-CD1 3.77Å; F267-L290 HydrophobicContact CD1-CD1 4.34Å; F267-L290 HydrophobicContact CG-CD1 4.3Å; F267-I316 HydrophobicContact CE2-CD1 4.48Å |
| 268 | G | 96.7 | Very high | 87.4 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.149 | C | C | . | . | trans | -84.7 | 144.3 | 166 | 0 | 0 | 0 | 0 | 0 | 110.8 | V65 F106 A289 | V65-G268 WeakPolarHBondContact O-CA 3.5Å; F106-G268 WeakPolarHBondContact CD1-O 3.3Å; F106-G268 WeakPolarHBondContact CE1-O 3.37Å; G268-A289 PolarHBondContact N-O 3.38Å | ||
| 269 | D | 94.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -81.7 | -31.3 | 172.3 | 65.3 | -32.6 | 0 | 0 | 0 | 112.2 | V64 D66 A67 R117 L121 | V64-D269 HydrophobicContact CG1-CB 4.14Å; D66-D269 WeakPolarHBondContact CA-OD1 3.41Å; A67-D269 PolarHBondContact N-OD1 2.73Å; A67-D269 VanDerWaalsContact N-OD1 3.12Å; R117-D269 HydrophobicContact CB-CB 3.88Å; R117-D269 WeakPolarHBondContact CG-O 3.42Å; R117-D269 PolarHBondContact NE-O 3.43Å; L121-D269 HydrophobicContact CD1-CB 3.84Å |
| 270 | H | 95.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.143 | C | C | . | . | trans | -147.5 | -179.1 | 167.1 | 53.7 | 83.8 | 0 | 0 | 0 | 111.9 | D66 A67 A108 T112 R117 D218 H278 | D66-H270 IonicContact OD1-CE1 3.53Å; D66-H270 PolarHBondContact OD1-CE1 2.92Å; D66-H270 VanDerWaalsContact OD1-CE1 3.28Å; D66-H270 IonicContact OD1-NE2 3.43Å; D66-H270 PolarHBondContact OD1-NE2 3.43Å; A67-H270 CarbonylContact C-O 3.51Å; A67-H270 VanDerWaalsContact CA-O 3.24Å; A67-H270 WeakPolarHBondContact CA-O 3.44Å; A108-H270 HydrophobicContact CB-CB 4.48Å; T112-H270 HydrophobicContact CG2-CB 4.04Å; T112-H270 PolarHBondContact O-CD2 3.49Å; T112-H270 PolarHBondContact O-NE2 2.96Å; R117-H270 HydrophobicContact CG-CB 4.17Å; D218-H270 IonicContact OD1-CE1 2.67Å; H270-H278 AromaticContact CE1-CD2 3.75Å; H270-H278 AromaticContact CE1-CE1 3.35Å; H270-H278 PolarHBondContact CE1-CE1 2.98Å; H270-H278 AromaticContact CE1-CG 3.39Å; H270-H278 AromaticContact CE1-ND1 3.13Å; H270-H278 PolarHBondContact CE1-ND1 3.35Å; H270-H278 AromaticContact CE1-NE2 3.79Å; H270-H278 AromaticContact ND1-CG 3.76Å; H270-H278 AromaticContact ND1-ND1 3.72Å; H270-H278 AromaticContact NE2-CE1 3.4Å; H270-H278 PolarHBondContact NE2-CE1 2.93Å; H270-H278 AromaticContact NE2-ND1 3.3Å; H270-H278 PolarHBondContact NE2-ND1 2.95Å | ||
| 271 | G | 97.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | trans | -97.9 | -159.7 | 166.6 | 0 | 0 | 0 | 0 | 0 | 112 | E284 E285 D287 | G271-E284 CarbonylContact C-O 3.53Å; G271-E284 WeakPolarHBondContact CA-O 3.34Å; G271-E285 WeakPolarHBondContact CA-O 3.44Å; G271-E285 PolarHBondContact N-O 3.4Å; G271-D287 WeakPolarHBondContact CA-O 3.24Å | ||
| 272 | M | 98.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 16% | 0.156 | C | C | . | . | trans | -156.5 | 149.6 | 175.2 | 63 | 173.2 | 68.3 | 0 | 0 | 110.4 | A67 R69 F72 V217 P226 M231 E284 | A67-M272 HydrophobicContact CB-CB 4.36Å; A67-M272 HydrophobicContact CB-CE 3.23Å; R69-M272 WeakPolarHBondContact CD-O 3.39Å; R69-M272 HydrophobicContact CG-CG 4.26Å; R69-M272 PolarHBondContact NH1-O 2.82Å; F72-M272 HydrophobicContact CZ-SD 4.24Å; V217-M272 HydrophobicContact CG1-CE 4.22Å; P226-M272 HydrophobicContact CB-SD 4.21Å; P226-M272 HydrophobicContact CG-SD 4.41Å; M231-M272 HydrophobicContact CE-CE 3.97Å; M231-M272 HydrophobicContact CE-SD 3.83Å; M272-E284 CarbonylContact C-O 3.54Å; M272-E284 PolarHBondContact N-O 2.92Å | ||
| 273 | T | 97.9 | Very high | 94.9 | Very high | 21 Ų | 21 | 32.3 Ų | 32.3 | 13% | 0.129 | 18% | 0.182 | C | C | . | . | trans | -65.5 | 170 | 172.4 | 62.3 | 0 | 0 | 0 | 0 | 112.4 | T275 G276 D277 E284 E285 | T273-T275 PolarHBondContact O-N 3.12Å; T273-T275 PolarHBondContact OG1-N 3.49Å; T273-T275 PolarHBondContact OG1-OG1 3.15Å; T273-T275 VanDerWaalsContact OG1-OG1 3.1Å; T273-G276 PolarHBondContact O-N 3.09Å; T273-G276 PolarHBondContact OG1-N 3.3Å; T273-D277 HydrophobicContact CG2-CB 4.5Å; T273-D277 WeakPolarHBondContact CG2-O 3.3Å; T273-D277 PolarHBondContact N-O 3Å; T273-D277 WeakPolarHBondContact OG1-CA 3.47Å; T273-D277 WeakPolarHBondContact OG1-CB 3.39Å; T273-D277 PolarHBondContact OG1-N 2.98Å; T273-D277 PolarHBondContact OG1-O 2.82Å; T273-E284 VanDerWaalsContact CA-OE2 3.23Å; T273-E284 WeakPolarHBondContact CA-OE2 3.43Å; T273-E285 HydrophobicContact CG2-CG 3.73Å | ||
| 274 | Q | 96.5 | Very high | 95.3 | Very high | 75 Ų | 75 | 36 Ų | 36 | 35% | 0.35 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -14.9 | 173.6 | -58.9 | -65.4 | 67.9 | 0 | 0 | 114.8 | Y83 P226 E284 | Y83-Q274 PolarHBondContact OH-NE2 2.71Å; Y83-Q274 VanDerWaalsContact OH-NE2 3.16Å; P226-Q274 WeakPolarHBondContact CD-O 3.35Å; Q274-E284 WeakPolarHBondContact CG-OE1 3.09Å; Q274-E284 PolarHBondContact N-OE2 3.45Å; Q274-E284 VanDerWaalsContact N-OE2 3.11Å |
| 275 | T | 96.7 | Very high | 95.4 | Very high | 93 Ų | 93 | 36.9 Ų | 36.9 | 57% | 0.571 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | -4.4 | 170.8 | 48 | 0 | 0 | 0 | 0 | 112.9 | T273 D277 | T273-T275 PolarHBondContact O-N 3.12Å; T273-T275 PolarHBondContact OG1-N 3.49Å; T273-T275 PolarHBondContact OG1-OG1 3.15Å; T273-T275 VanDerWaalsContact OG1-OG1 3.1Å; T275-D277 PolarHBondContact OG1-OD2 3.03Å |
| 276 | G | 96.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | S | Bend | trans | 82.3 | 14.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114 | H222 T273 | H222-G276 PolarHBondContact ND1-O 2.98Å; T273-G276 PolarHBondContact O-N 3.09Å; T273-G276 PolarHBondContact OG1-N 3.3Å |
| 277 | D | 97 | Very high | 95.4 | Very high | 91 Ų | 91 | 39 Ų | 39 | 49% | 0.487 | 22% | 0.215 | S | C | . | . | trans | -84.5 | 152.8 | 172.8 | -59.3 | -52.4 | 0 | 0 | 0 | 111.1 | T273 T275 | T273-D277 HydrophobicContact CG2-CB 4.5Å; T273-D277 WeakPolarHBondContact CG2-O 3.3Å; T273-D277 PolarHBondContact N-O 3Å; T273-D277 WeakPolarHBondContact OG1-CA 3.47Å; T273-D277 WeakPolarHBondContact OG1-CB 3.39Å; T273-D277 PolarHBondContact OG1-N 2.98Å; T273-D277 PolarHBondContact OG1-O 2.82Å; T275-D277 PolarHBondContact OG1-OD2 3.03Å | ||
| 278 | H | 95.5 | Very high | 95.3 | Very high | 38 Ų | 38 | 38.6 Ų | 38.6 | 18% | 0.176 | 21% | 0.213 | C | C | . | . | trans | -152.1 | 176.5 | 172.2 | 63.6 | 100.8 | 0 | 0 | 0 | 110.3 | T112 D218 H222 H270 E285 | T112-H278 PolarHBondContact O-ND1 2.88Å; D218-H278 IonicContact OD1-CD2 2.98Å; D218-H278 PolarHBondContact OD1-CD2 3.44Å; D218-H278 IonicContact OD1-NE2 3.3Å; D218-H278 PolarHBondContact OD1-NE2 3.32Å; D218-H278 IonicContact OD2-NE2 3.27Å; H222-H278 AromaticContact CE1-CD2 3.31Å; H222-H278 PolarHBondContact CE1-CD2 3.48Å; H222-H278 AromaticContact CE1-NE2 3.1Å; H222-H278 PolarHBondContact CE1-NE2 2.77Å; H222-H278 AromaticContact NE2-CD2 3.88Å; H222-H278 AromaticContact NE2-NE2 3.18Å; H222-H278 PolarHBondContact NE2-NE2 2.97Å; H222-H278 VanDerWaalsContact NE2-NE2 3.18Å; H270-H278 AromaticContact CE1-CD2 3.75Å; H270-H278 AromaticContact CE1-CE1 3.35Å; H270-H278 PolarHBondContact CE1-CE1 2.98Å; H270-H278 AromaticContact CE1-CG 3.39Å; H270-H278 AromaticContact CE1-ND1 3.13Å; H270-H278 PolarHBondContact CE1-ND1 3.35Å; H270-H278 AromaticContact CE1-NE2 3.79Å; H270-H278 AromaticContact ND1-CG 3.76Å; H270-H278 AromaticContact ND1-ND1 3.72Å; H270-H278 AromaticContact NE2-CE1 3.4Å; H270-H278 PolarHBondContact NE2-CE1 2.93Å; H270-H278 AromaticContact NE2-ND1 3.3Å; H270-H278 PolarHBondContact NE2-ND1 2.95Å; H278-E285 WeakPolarHBondContact CA-OE1 3.23Å; H278-E285 HydrophobicContact CB-CG 4.34Å | ||
| 279 | G | 91 | Very high | 95.2 | Very high | 15 Ų | 15 | 38.6 Ų | 38.6 | 16% | 0.155 | 21% | 0.213 | C | C | . | . | S | Bend | trans | 118.2 | -16.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | P111 T112 E285 | P111-G279 WeakPolarHBondContact CB-O 3.23Å; T112-G279 VanDerWaalsContact OG1-C 3.27Å; T112-G279 WeakPolarHBondContact OG1-CA 3.4Å; T112-G279 PolarHBondContact OG1-N 3.05Å; G279-E285 PolarHBondContact N-OE1 2.98Å |
| 280 | G | 90.7 | Very high | 95.1 | Very high | 30 Ų | 30 | 38.7 Ų | 38.7 | 31% | 0.309 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -94.9 | -158.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114 | T112 E285 | T112-G280 WeakPolarHBondContact CG2-O 3.4Å; T112-G280 PolarHBondContact OG1-N 2.88Å; T112-G280 PolarHBondContact OG1-O 3.21Å; G280-E285 VanDerWaalsContact CA-OE1 3.32Å; G280-E285 WeakPolarHBondContact CA-OE1 3.29Å; G280-E285 PolarHBondContact N-OE1 2.96Å |
| 281 | D | 91.6 | Very high | 95.1 | Very high | 120 Ų | 120 | 38.8 Ų | 38.8 | 64% | 0.642 | 21% | 0.214 | S | C | * | . | trans | -122.6 | 14.7 | -174.2 | 68.8 | -18.7 | 0 | 0 | 0 | 113.8 | P110 | P110-D281 HydrophobicContact CB-CB 3.93Å; P110-D281 HydrophobicContact CG-CB 3.93Å | ||
| 282 | S | 96.4 | Very high | 94.8 | Very high | 43 Ų | 43 | 38.9 Ų | 38.9 | 30% | 0.301 | 22% | 0.215 | S | C | . | . | trans | -66.7 | 149.3 | 175.6 | 75 | 0 | 0 | 0 | 0 | 111.1 | E284 E285 L286 | S282-E284 PolarHBondContact O-N 3.49Å; S282-E284 VanDerWaalsContact O-N 3.13Å; S282-E285 WeakPolarHBondContact CB-OE2 3.43Å; S282-E285 PolarHBondContact N-OE2 2.92Å; S282-E285 WeakPolarHBondContact O-CA 3.43Å; S282-E285 WeakPolarHBondContact O-CB 3.49Å; S282-E285 PolarHBondContact O-N 3.44Å; S282-E285 VanDerWaalsContact OG-CD 3.32Å; S282-E285 VanDerWaalsContact OG-CG 3.24Å; S282-E285 WeakPolarHBondContact OG-CG 3.42Å; S282-E285 PolarHBondContact OG-OE2 3.03Å; S282-L286 WeakPolarHBondContact O-CG 3.43Å; S282-L286 PolarHBondContact O-N 3.07Å | ||
| 283 | E | 95 | Very high | 94.4 | Very high | 132 Ų | 132 | 39 Ų | 39 | 62% | 0.617 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -53.5 | -38.5 | -178.4 | -176.9 | 174.5 | -171.6 | 0 | 0 | 112.3 | K105 E285 L286 D287 | K105-E283 IonicContact NZ-OE1 3.68Å; K105-E283 PolarHBondContact NZ-OE1 3.38Å; E283-E285 VanDerWaalsContact C-N 3.29Å; E283-E285 PolarHBondContact O-N 3.41Å; E283-L286 PolarHBondContact O-N 3.21Å; E283-D287 WeakPolarHBondContact CG-OD2 3.42Å; E283-D287 VanDerWaalsContact O-CB 3.26Å; E283-D287 WeakPolarHBondContact O-CB 3.39Å; E283-D287 PolarHBondContact O-N 2.95Å |
| 284 | E | 96.1 | Very high | 93.9 | Very high | 77 Ų | 77 | 38 Ų | 38 | 36% | 0.36 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -63.6 | -33.8 | 177.4 | -59.4 | -172.1 | 156.2 | 0 | 0 | 112.9 | G271 M272 T273 Q274 S282 | G271-E284 CarbonylContact C-O 3.53Å; G271-E284 WeakPolarHBondContact CA-O 3.34Å; M272-E284 CarbonylContact C-O 3.54Å; M272-E284 PolarHBondContact N-O 2.92Å; T273-E284 VanDerWaalsContact CA-OE2 3.23Å; T273-E284 WeakPolarHBondContact CA-OE2 3.43Å; Q274-E284 WeakPolarHBondContact CG-OE1 3.09Å; Q274-E284 PolarHBondContact N-OE2 3.45Å; Q274-E284 VanDerWaalsContact N-OE2 3.11Å; S282-E284 PolarHBondContact O-N 3.49Å; S282-E284 VanDerWaalsContact O-N 3.13Å |
| 285 | E | 96.6 | Very high | 93.4 | Very high | 21 Ų | 21 | 35.8 Ų | 35.8 | 10% | 0.098 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -80.5 | -30.9 | 177.1 | -65.3 | 170.5 | 92.6 | 0 | 0 | 112.2 | T112 G271 T273 H278 G279 G280 S282 E283 | T112-E285 HydrophobicContact CG2-CB 4.33Å; T112-E285 WeakPolarHBondContact CG2-O 3.47Å; G271-E285 WeakPolarHBondContact CA-O 3.44Å; G271-E285 PolarHBondContact N-O 3.4Å; T273-E285 HydrophobicContact CG2-CG 3.73Å; H278-E285 WeakPolarHBondContact CA-OE1 3.23Å; H278-E285 HydrophobicContact CB-CG 4.34Å; G279-E285 PolarHBondContact N-OE1 2.98Å; G280-E285 VanDerWaalsContact CA-OE1 3.32Å; G280-E285 WeakPolarHBondContact CA-OE1 3.29Å; G280-E285 PolarHBondContact N-OE1 2.96Å; S282-E285 WeakPolarHBondContact CB-OE2 3.43Å; S282-E285 PolarHBondContact N-OE2 2.92Å; S282-E285 WeakPolarHBondContact O-CA 3.43Å; S282-E285 WeakPolarHBondContact O-CB 3.49Å; S282-E285 PolarHBondContact O-N 3.44Å; S282-E285 VanDerWaalsContact OG-CD 3.32Å; S282-E285 VanDerWaalsContact OG-CG 3.24Å; S282-E285 WeakPolarHBondContact OG-CG 3.42Å; S282-E285 PolarHBondContact OG-OE2 3.03Å; E283-E285 VanDerWaalsContact C-N 3.29Å; E283-E285 PolarHBondContact O-N 3.41Å |
| 286 | L | 94 | Very high | 92.8 | Very high | 27 Ų | 27 | 32.3 Ų | 32.3 | 14% | 0.141 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -81 | -32.4 | -179.4 | -56.9 | -169.8 | 0 | 0 | 0 | 112.4 | V107 A108 P110 T112 S282 E283 A288 | V107-L286 CarbonylContact C-O 3.59Å; V107-L286 WeakPolarHBondContact CA-O 3.46Å; V107-L286 HydrophobicContact CG1-CB 3.88Å; V107-L286 HydrophobicContact CG1-CD1 4.19Å; A108-L286 PolarHBondContact N-O 3.13Å; A108-L286 WeakPolarHBondContact O-CD2 3.36Å; P110-L286 HydrophobicContact CB-CD2 4.43Å; T112-L286 HydrophobicContact CG2-CD2 3.51Å; S282-L286 WeakPolarHBondContact O-CG 3.43Å; S282-L286 PolarHBondContact O-N 3.07Å; E283-L286 PolarHBondContact O-N 3.21Å; L286-A288 PolarHBondContact O-N 3.09Å |
| 287 | D | 93.1 | Very high | 92.2 | Very high | 27 Ų | 27 | 36 Ų | 36 | 14% | 0.144 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 108.7 | -171.1 | -74.4 | -15.3 | 0 | 0 | 0 | 113.7 | R69 K105 G271 E283 | R69-D287 WeakPolarHBondContact CA-O 3.49Å; K105-D287 WeakPolarHBondContact CE-OD1 3.38Å; K105-D287 WeakPolarHBondContact CE-OD2 3.14Å; K105-D287 IonicContact NZ-OD1 3.63Å; K105-D287 PolarHBondContact NZ-OD1 2.98Å; K105-D287 VanDerWaalsContact NZ-OD1 3.15Å; K105-D287 IonicContact NZ-OD2 3.55Å; K105-D287 PolarHBondContact NZ-OD2 3.22Å; G271-D287 WeakPolarHBondContact CA-O 3.24Å; E283-D287 WeakPolarHBondContact CG-OD2 3.42Å; E283-D287 VanDerWaalsContact O-CB 3.26Å; E283-D287 WeakPolarHBondContact O-CB 3.39Å; E283-D287 PolarHBondContact O-N 2.95Å |
| 288 | A | 94.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 159.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L68 F106 L286 | L68-A288 CarbonylContact O-C 3.38Å; L68-A288 WeakPolarHBondContact O-CA 3.45Å; F106-A288 HydrophobicContact CB-CB 4.4Å; F106-A288 HydrophobicContact CD1-CB 3.63Å; F106-A288 HydrophobicContact CE1-CB 4.39Å; F106-A288 HydrophobicContact CG-CB 4.41Å; F106-A288 PolarHBondContact N-O 3Å; F106-A288 PolarHBondContact O-N 2.72Å; L286-A288 PolarHBondContact O-N 3.09Å |
| 289 | A | 94.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 148.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | L68 I73 F267 G268 | L68-A289 HydrophobicContact CD2-CB 4.3Å; L68-A289 HydrophobicContact CG-CB 4.08Å; L68-A289 PolarHBondContact O-N 3.15Å; I73-A289 HydrophobicContact CB-CB 4.48Å; I73-A289 HydrophobicContact CD1-CB 3.81Å; I73-A289 HydrophobicContact CG1-CB 4.06Å; F267-A289 CarbonylContact C-O 3.54Å; F267-A289 WeakPolarHBondContact CA-O 3.46Å; F267-A289 VanDerWaalsContact CB-O 3.24Å; F267-A289 WeakPolarHBondContact CB-O 3.21Å; G268-A289 PolarHBondContact N-O 3.38Å |
| 290 | L | 93.4 | Very high | 89.9 | Confident | 3 Ų | 3 | 35.5 Ų | 35.5 | 2% | 0.016 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 115.6 | 159.2 | 167.9 | 75.9 | 0 | 0 | 0 | 109.1 | L103 F104 F265 F267 F312 | L103-L290 CarbonylContact C-O 3.51Å; L103-L290 WeakPolarHBondContact CA-O 3.37Å; F104-L290 HydrophobicContact CB-CB 4.26Å; F104-L290 HydrophobicContact CB-CD2 4.1Å; F104-L290 HydrophobicContact CD2-CD2 3.65Å; F104-L290 HydrophobicContact CD2-CG 4.23Å; F104-L290 HydrophobicContact CE2-CD2 4.39Å; F104-L290 HydrophobicContact CG-CD2 4.21Å; F104-L290 PolarHBondContact N-O 3.23Å; F104-L290 PolarHBondContact O-N 2.73Å; F265-L290 HydrophobicContact CB-CD1 4.34Å; F265-L290 HydrophobicContact CD1-CD1 4.09Å; F267-L290 HydrophobicContact CB-CB 4.27Å; F267-L290 HydrophobicContact CB-CD1 3.77Å; F267-L290 HydrophobicContact CD1-CD1 4.34Å; F267-L290 HydrophobicContact CG-CD1 4.3Å; L290-F312 HydrophobicContact CB-CE2 4.41Å; L290-F312 HydrophobicContact CB-CZ 4.38Å; L290-F312 HydrophobicContact CD1-CE2 3.8Å; L290-F312 HydrophobicContact CD1-CZ 3.79Å; L290-F312 HydrophobicContact CD2-CD2 3.55Å; L290-F312 HydrophobicContact CD2-CE2 3.05Å; L290-F312 HydrophobicContact CD2-CZ 3.79Å; L290-F312 HydrophobicContact CG-CE2 3.89Å; L290-F312 HydrophobicContact CG-CZ 4.17Å |
| 291 | F | 93.4 | Very high | 88.8 | Confident | 1 Ų | 1 | 40 Ų | 40 | 0% | 0.004 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 130.9 | 170.1 | 173.2 | -107.5 | 0 | 0 | 0 | 110.1 | V90 L93 L94 M102 L103 V242 L264 F265 V266 Y293 | V90-F291 HydrophobicContact CG1-CD1 4.46Å; V90-F291 HydrophobicContact CG1-CD2 3.64Å; V90-F291 HydrophobicContact CG1-CE1 4.46Å; V90-F291 HydrophobicContact CG1-CE2 3.63Å; V90-F291 HydrophobicContact CG1-CG 4.06Å; V90-F291 HydrophobicContact CG1-CZ 4.06Å; V90-F291 HydrophobicContact CG2-CD1 4.5Å; V90-F291 HydrophobicContact CG2-CE1 4.27Å; V90-F291 HydrophobicContact CG2-CZ 4.41Å; L93-F291 HydrophobicContact CD1-CZ 4.18Å; L94-F291 HydrophobicContact CD2-CD2 4.24Å; L94-F291 HydrophobicContact CD2-CE2 4Å; L94-F291 HydrophobicContact CG-CE2 4.21Å; M102-F291 CarbonylContact O-C 3.4Å; M102-F291 WeakPolarHBondContact O-CA 3.42Å; M102-F291 WeakPolarHBondContact O-CD2 3.26Å; L103-F291 HydrophobicContact CD1-CB 4.39Å; V242-F291 HydrophobicContact CG1-CD1 4.39Å; V242-F291 HydrophobicContact CG1-CE1 3.9Å; L264-F291 HydrophobicContact CD2-CE1 4.29Å; F265-F291 CarbonylContact C-O 3.45Å; F265-F291 WeakPolarHBondContact CA-O 3.22Å; V266-F291 HydrophobicContact CB-CB 4.3Å; V266-F291 HydrophobicContact CB-CD1 4.25Å; V266-F291 HydrophobicContact CG2-CD1 4.07Å; V266-F291 PolarHBondContact N-O 3.02Å; V266-F291 PolarHBondContact O-N 3.12Å; F291-Y293 HydrophobicContact CZ-CD2 4.43Å |
| 292 | A | 91.8 | Very high | 87.1 | Confident | 3 Ų | 3 | 39.7 Ų | 39.7 | 3% | 0.025 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 141.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | S101 M102 L264 F265 L298 | S101-A292 VanDerWaalsContact CA-O 3.29Å; S101-A292 WeakPolarHBondContact CA-O 3.23Å; M102-A292 HydrophobicContact CB-CB 4.49Å; M102-A292 PolarHBondContact N-O 3.29Å; M102-A292 PolarHBondContact O-N 3.41Å; L264-A292 CarbonylContact O-C 2.81Å; L264-A292 VanDerWaalsContact O-CA 3.27Å; L264-A292 WeakPolarHBondContact O-CA 3.16Å; F265-A292 HydrophobicContact CD1-CB 3.78Å; F265-A292 HydrophobicContact CE1-CB 3.75Å; A292-L298 HydrophobicContact CB-CD1 4.13Å |
| 293 | Y | 90.5 | Very high | 84.9 | Confident | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.008 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 137.7 | 173.2 | -178.3 | -84.3 | 0 | 0 | 0 | 112.1 | L93 E97 H100 L246 L264 F291 T295 | L93-Y293 HydrophobicContact CD2-CE2 4.05Å; E97-Y293 WeakPolarHBondContact OE2-CE2 3.21Å; E97-Y293 PolarHBondContact OE2-OH 3.46Å; H100-Y293 HydrophobicContact CB-CE2 4.29Å; H100-Y293 VanDerWaalsContact O-CA 3.29Å; H100-Y293 WeakPolarHBondContact O-CA 3.24Å; H100-Y293 WeakPolarHBondContact O-CD2 3.36Å; L246-Y293 HydrophobicContact CD2-CD1 3.08Å; L246-Y293 HydrophobicContact CD2-CD2 4.03Å; L246-Y293 HydrophobicContact CD2-CE1 3.25Å; L246-Y293 HydrophobicContact CD2-CE2 4.17Å; L246-Y293 HydrophobicContact CD2-CG 3.5Å; L246-Y293 VanDerWaalsContact CD2-CG 3.5Å; L264-Y293 PolarHBondContact N-O 3.3Å; L264-Y293 PolarHBondContact O-N 3.44Å; F291-Y293 HydrophobicContact CZ-CD2 4.43Å; Y293-T295 HydrophobicContact CE1-CG2 4Å |
| 294 | S | 87.5 | Confident | 82.7 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 149.7 | 165.5 | -173.9 | 0 | 0 | 0 | 0 | 110.6 | Y57 H100 T262 S296 | Y57-S294 VanDerWaalsContact CE1-OG 3.27Å; Y57-S294 WeakPolarHBondContact CE1-OG 3.43Å; H100-S294 VanDerWaalsContact CB-O 3.28Å; H100-S294 WeakPolarHBondContact CB-O 3.13Å; H100-S294 PolarHBondContact ND1-O 2.87Å; H100-S294 VanDerWaalsContact ND1-O 3.11Å; H100-S294 PolarHBondContact O-N 2.91Å; T262-S294 PolarHBondContact O-OG 3.44Å; T262-S294 VanDerWaalsContact O-OG 3.09Å; S294-S296 CarbonylContact C-O 3.47Å; S294-S296 PolarHBondContact O-N 3.09Å; S294-S296 VanDerWaalsContact O-O 3.08Å; S294-S296 PolarHBondContact OG-N 3.42Å; S294-S296 VanDerWaalsContact OG-N 3.16Å; S294-S296 PolarHBondContact OG-OG 3.29Å |
| 295 | T | 85.3 | Confident | 80.2 | Confident | 28 Ų | 28 | 47.1 Ų | 47.1 | 17% | 0.172 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -70.7 | -14.5 | 169.5 | 56.3 | 0 | 0 | 0 | 0 | 111.9 | H100 M249 N250 N253 Y293 | H100-T295 PolarHBondContact CE1-O 2.56Å; H100-T295 PolarHBondContact ND1-O 2.79Å; M249-T295 HydrophobicContact CE-CG2 4.23Å; N250-T295 WeakPolarHBondContact OD1-CG2 3.49Å; N253-T295 VanDerWaalsContact ND2-CB 3.28Å; N253-T295 WeakPolarHBondContact ND2-CB 3.45Å; N253-T295 VanDerWaalsContact ND2-CG2 3.33Å; N253-T295 WeakPolarHBondContact ND2-CG2 3.12Å; N253-T295 PolarHBondContact ND2-OG1 3.16Å; N253-T295 VanDerWaalsContact ND2-OG1 3.09Å; Y293-T295 HydrophobicContact CE1-CG2 4Å |
| 296 | S | 84 | Confident | 77.6 | Confident | 20 Ų | 20 | 49.2 Ų | 49.2 | 14% | 0.14 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -87 | 157 | 168.8 | -27.8 | 0 | 0 | 0 | 0 | 109.6 | H100 P260 S294 L298 | H100-S296 VanDerWaalsContact ND1-C 3.32Å; H100-S296 PolarHBondContact ND1-O 2.87Å; P260-S296 VanDerWaalsContact CA-OG 3.26Å; P260-S296 WeakPolarHBondContact CA-OG 3.25Å; P260-S296 WeakPolarHBondContact CB-OG 3.41Å; P260-S296 PolarHBondContact O-OG 3.17Å; S294-S296 CarbonylContact C-O 3.47Å; S294-S296 PolarHBondContact O-N 3.09Å; S294-S296 VanDerWaalsContact O-O 3.08Å; S294-S296 PolarHBondContact OG-N 3.42Å; S294-S296 VanDerWaalsContact OG-N 3.16Å; S294-S296 PolarHBondContact OG-OG 3.29Å; S296-L298 PolarHBondContact O-N 3.24Å |
| 297 | I | 84.9 | Confident | 75.3 | Confident | 77 Ų | 77 | 51.6 Ų | 51.6 | 40% | 0.395 | 28% | 0.276 | S | S | . | . | trans | -62.1 | 124.7 | 172.6 | -65.9 | 173.1 | 0 | 0 | 0 | 108.8 | Q99 H299 P327 | Q99-I297 HydrophobicContact CB-CG2 4.32Å; I297-H299 WeakPolarHBondContact CG2-O 3.21Å; I297-P327 HydrophobicContact CG2-CG 4.48Å | ||
| 298 | L | 82.4 | Confident | 72.5 | Confident | 39 Ų | 39 | 57.4 Ų | 57.4 | 20% | 0.204 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -82.5 | -36.7 | 173.4 | -72.8 | 173.5 | 0 | 0 | 0 | 111.4 | Y57 Q99 H100 M102 V263 A292 S296 | Y57-L298 HydrophobicContact CE2-CD2 4.4Å; Y57-L298 WeakPolarHBondContact OH-CD2 3.43Å; Q99-L298 PolarHBondContact O-N 3Å; H100-L298 VanDerWaalsContact O-CD1 3.27Å; H100-L298 WeakPolarHBondContact O-CD1 3.34Å; M102-L298 HydrophobicContact CG-CD1 4.1Å; M102-L298 HydrophobicContact SD-CB 4.26Å; V263-L298 HydrophobicContact CG2-CD2 4.19Å; A292-L298 HydrophobicContact CB-CD1 4.13Å; S296-L298 PolarHBondContact O-N 3.24Å |
| 299 | H | 77.6 | Confident | 70.1 | Confident | 21 Ų | 21 | 59.3 Ų | 59.3 | 10% | 0.097 | 31% | 0.314 | C | S | . | . | trans | -154.2 | 154.3 | -179.5 | 61 | 97 | 0 | 0 | 0 | 111.7 | P98 M102 I297 E301 | P98-H299 PolarHBondContact O-CE1 2.89Å; P98-H299 PolarHBondContact O-NE2 3.33Å; M102-H299 HydrophobicContact CE-CB 4.43Å; M102-H299 VanDerWaalsContact CE-CD2 3.43Å; M102-H299 WeakPolarHBondContact CE-CD2 3.5Å; M102-H299 WeakPolarHBondContact CG-CD2 3.46Å; M102-H299 WeakPolarHBondContact CG-NE2 3.26Å; M102-H299 PolarHBondContact SD-CD2 3.5Å; I297-H299 WeakPolarHBondContact CG2-O 3.21Å; H299-E301 PolarHBondContact CE1-O 3.18Å; H299-E301 PolarHBondContact ND1-N 3.48Å; H299-E301 PolarHBondContact ND1-O 3.07Å | ||
| 300 | S | 75.6 | Confident | 67.3 | Low | 75 Ų | 75 | 65 Ų | 65 | 52% | 0.524 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -84.1 | -13.8 | 177.1 | 56.9 | 0 | 0 | 0 | 0 | 113.7 | ||
| 301 | E | 66.8 | Low | 64.6 | Low | 123 Ų | 123 | 68 Ų | 68 | 58% | 0.575 | 37% | 0.37 | S | S | * | . | trans | -70.9 | 129.4 | -177.4 | -64.3 | -174.7 | 175.2 | 0 | 0 | 111.7 | H299 Q303 | H299-E301 PolarHBondContact CE1-O 3.18Å; H299-E301 PolarHBondContact ND1-N 3.48Å; H299-E301 PolarHBondContact ND1-O 3.07Å; E301-Q303 VanDerWaalsContact C-N 3.34Å | ||
| 302 | T | 56.2 | Low | 62.4 | Low | 114 Ų | 114 | 68.6 Ų | 68.6 | 70% | 0.699 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -85 | -5.3 | 175.7 | 46.6 | 0 | 0 | 0 | 0 | 113.7 | ||
| 303 | Q | 49.2 | Very low | 59.9 | Low | 161 Ų | 161 | 70.4 Ų | 70.4 | 75% | 0.752 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -133.8 | 108.5 | 176.8 | -65.7 | -153.4 | 9 | 0 | 0 | 110.9 | E301 K305 | E301-Q303 VanDerWaalsContact C-N 3.34Å; Q303-K305 PolarHBondContact O-N 2.9Å |
| 304 | V | 50.2 | Low | 57.4 | Low | 66 Ų | 66 | 73 Ų | 73 | 40% | 0.4 | 41% | 0.406 | S | S | . | . | trans | -76 | 114.5 | 176.9 | -178.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 305 | K | 43.1 | Very low | 55.2 | Low | 181 Ų | 181 | 74.1 Ų | 74.1 | 79% | 0.787 | 41% | 0.412 | S | S | * | . | P | Polyproline II helix | trans | -86 | 140 | 160.7 | -73.4 | 179.3 | 179.8 | 176 | 0 | 108.5 | Q303 L307 | Q303-K305 PolarHBondContact O-N 2.9Å; K305-L307 PolarHBondContact O-N 3.24Å |
| 306 | S | 42.4 | Very low | 53.3 | Low | 65 Ų | 65 | 73.5 Ų | 73.5 | 46% | 0.455 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -52.9 | 122.8 | 175 | 62.9 | 0 | 0 | 0 | 0 | 110.4 | ||
| 307 | L | 46.1 | Very low | 51.3 | Low | 77 Ų | 77 | 75.9 Ų | 75.9 | 40% | 0.403 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -86 | 132.7 | 171.6 | -144.1 | 86 | 0 | 0 | 0 | 108.8 | F104 K305 V311 | F104-L307 HydrophobicContact CD1-CB 3.4Å; F104-L307 VanDerWaalsContact CD1-CB 3.4Å; F104-L307 HydrophobicContact CE1-CB 3.59Å; F104-L307 HydrophobicContact CE1-CD2 4.31Å; F104-L307 HydrophobicContact CE1-CG 4.42Å; K305-L307 PolarHBondContact O-N 3.24Å; L307-V311 HydrophobicContact CD2-CB 4.19Å; L307-V311 HydrophobicContact CD2-CG1 4.31Å |
| 308 | F | 33.4 | Very low | 49.1 | Very low | 149 Ų | 149 | 79.3 Ų | 79.3 | 65% | 0.654 | 42% | 0.423 | S | S | * | . | P | Polyproline II helix | trans | -94.4 | 134.4 | -177.4 | -80.1 | -89 | 0 | 0 | 0 | 113.6 | C310 | F308-C310 PolarHBondContact O-N 3.14Å; F308-C310 VanDerWaalsContact O-N 3.07Å |
| 309 | S | 44.7 | Very low | 47.1 | Very low | 40 Ų | 40 | 79.4 Ų | 79.4 | 28% | 0.28 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 24.6 | -75.9 | 156.6 | 176.2 | 0 | 0 | 0 | 0 | 120.3 | V107 V311 F312 | V107-S309 WeakPolarHBondContact CB-OG 3.44Å; S309-V311 PolarHBondContact O-N 2.91Å; S309-F312 PolarHBondContact O-N 3.28Å |
| 310 | C | 34.8 | Very low | 45.4 | Very low | 120 Ų | 120 | 79.3 Ų | 79.3 | 81% | 0.811 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -67.4 | -18.6 | -164.1 | -141.4 | 0 | 0 | 0 | 0 | 113 | F308 F312 | F308-C310 PolarHBondContact O-N 3.14Å; F308-C310 VanDerWaalsContact O-N 3.07Å; C310-F312 VanDerWaalsContact C-N 3.34Å |
| 311 | V | 37.7 | Very low | 43.4 | Very low | 65 Ų | 65 | 78.2 Ų | 78.2 | 39% | 0.394 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -77.8 | -18.8 | 175.7 | -153.2 | 0 | 0 | 0 | 0 | 111 | L307 S309 A314 N315 | L307-V311 HydrophobicContact CD2-CB 4.19Å; L307-V311 HydrophobicContact CD2-CG1 4.31Å; S309-V311 PolarHBondContact O-N 2.91Å; V311-A314 CarbonylContact O-C 3.59Å; V311-N315 WeakPolarHBondContact CB-ND2 3.25Å; V311-N315 WeakPolarHBondContact CG1-ND2 3.49Å; V311-N315 WeakPolarHBondContact O-CA 3.08Å; V311-N315 WeakPolarHBondContact O-CB 3.45Å; V311-N315 PolarHBondContact O-N 3.25Å; V311-N315 PolarHBondContact O-ND2 2.76Å; V311-N315 PolarHBondContact O-OD1 2.84Å |
| 312 | F | 45.3 | Very low | 41.8 | Very low | 15 Ų | 15 | 75 Ų | 75 | 7% | 0.066 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -80 | -41.4 | -169.3 | -173.9 | -105.6 | 0 | 0 | 0 | 117.3 | F106 L121 L290 S309 C310 A314 N315 I316 | F106-F312 HydrophobicContact CB-CD1 4.43Å; F106-F312 HydrophobicContact CB-CE1 4.4Å; F106-F312 HydrophobicContact CD1-CD1 4.4Å; F106-F312 HydrophobicContact CD1-CE1 4.02Å; F106-F312 HydrophobicContact CD2-CB 4.02Å; F106-F312 AromaticContact CD2-CD1 3.04Å; F106-F312 HydrophobicContact CD2-CD1 3.04Å; F106-F312 AromaticContact CD2-CE1 3.49Å; F106-F312 HydrophobicContact CD2-CE1 3.49Å; F106-F312 VanDerWaalsContact CD2-CE1 3.49Å; F106-F312 AromaticContact CD2-CG 3.77Å; F106-F312 HydrophobicContact CD2-CG 3.77Å; F106-F312 HydrophobicContact CE1-CD1 4.5Å; F106-F312 HydrophobicContact CE1-CE1 4.12Å; F106-F312 HydrophobicContact CE2-CB 4.48Å; F106-F312 AromaticContact CE2-CD1 3.18Å; F106-F312 HydrophobicContact CE2-CD1 3.18Å; F106-F312 AromaticContact CE2-CE1 3.62Å; F106-F312 HydrophobicContact CE2-CE1 3.62Å; F106-F312 HydrophobicContact CE2-CG 4.22Å; F106-F312 AromaticContact CG-CD1 3.72Å; F106-F312 HydrophobicContact CG-CD1 3.72Å; F106-F312 AromaticContact CG-CE1 3.7Å; F106-F312 HydrophobicContact CG-CE1 3.7Å; F106-F312 HydrophobicContact CG-CG 4.45Å; F106-F312 AromaticContact CZ-CD1 3.91Å; F106-F312 HydrophobicContact CZ-CD1 3.91Å; F106-F312 AromaticContact CZ-CE1 3.88Å; F106-F312 HydrophobicContact CZ-CE1 3.88Å; L121-F312 HydrophobicContact CD2-CE1 4.3Å; L290-F312 HydrophobicContact CB-CE2 4.41Å; L290-F312 HydrophobicContact CB-CZ 4.38Å; L290-F312 HydrophobicContact CD1-CE2 3.8Å; L290-F312 HydrophobicContact CD1-CZ 3.79Å; L290-F312 HydrophobicContact CD2-CD2 3.55Å; L290-F312 HydrophobicContact CD2-CE2 3.05Å; L290-F312 HydrophobicContact CD2-CZ 3.79Å; L290-F312 HydrophobicContact CG-CE2 3.89Å; L290-F312 HydrophobicContact CG-CZ 4.17Å; S309-F312 PolarHBondContact O-N 3.28Å; C310-F312 VanDerWaalsContact C-N 3.34Å; F312-A314 PolarHBondContact O-N 2.96Å; F312-N315 VanDerWaalsContact C-N 3.33Å; F312-N315 HydrophobicContact CD2-CB 4.38Å; F312-N315 CarbonylContact O-C 3.57Å; F312-N315 VanDerWaalsContact O-CA 3.24Å; F312-N315 WeakPolarHBondContact O-CA 3.39Å; F312-N315 PolarHBondContact O-N 2.77Å; F312-I316 HydrophobicContact CD1-CD1 4.01Å; F312-I316 HydrophobicContact CD1-CG1 4.04Å; F312-I316 HydrophobicContact CD2-CG1 4.15Å; F312-I316 HydrophobicContact CE1-CD1 3.15Å; F312-I316 HydrophobicContact CE1-CG1 3.47Å; F312-I316 VanDerWaalsContact CE1-CG1 3.47Å; F312-I316 HydrophobicContact CE2-CD1 4.01Å; F312-I316 HydrophobicContact CE2-CG1 3.41Å; F312-I316 VanDerWaalsContact CE2-CG1 3.41Å; F312-I316 HydrophobicContact CG-CG1 4.47Å; F312-I316 HydrophobicContact CZ-CD1 3.19Å; F312-I316 HydrophobicContact CZ-CG1 3.15Å; F312-I316 PolarHBondContact O-N 3.49Å |
| 313 | V | 40 | Very low | 40.7 | Very low | 40 Ų | 40 | 69.7 Ų | 69.7 | 24% | 0.242 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -63.6 | -39.1 | 172.9 | 175.7 | 0 | 0 | 0 | 0 | 109.9 | N315 K317 | V313-N315 VanDerWaalsContact C-N 3.26Å; V313-N315 PolarHBondContact O-N 2.83Å; V313-K317 PolarHBondContact O-N 3.3Å |
| 314 | A | 38.5 | Very low | 40.1 | Very low | 58 Ų | 58 | 63 Ų | 63 | 48% | 0.479 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60.7 | -34 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | V311 F312 R318 | V311-A314 CarbonylContact O-C 3.59Å; F312-A314 PolarHBondContact O-N 2.96Å; A314-R318 WeakPolarHBondContact O-CA 3.18Å; A314-R318 WeakPolarHBondContact O-CB 3.5Å; A314-R318 PolarHBondContact O-N 3.27Å |
| 315 | N | 40.3 | Very low | 39.2 | Very low | 22 Ų | 22 | 63.3 Ų | 63.3 | 12% | 0.118 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -91.8 | -7 | 177.8 | -63 | -33.3 | 0 | 0 | 0 | 116.7 | V311 F312 V313 L319 | V311-N315 WeakPolarHBondContact CB-ND2 3.25Å; V311-N315 WeakPolarHBondContact CG1-ND2 3.49Å; V311-N315 WeakPolarHBondContact O-CA 3.08Å; V311-N315 WeakPolarHBondContact O-CB 3.45Å; V311-N315 PolarHBondContact O-N 3.25Å; V311-N315 PolarHBondContact O-ND2 2.76Å; V311-N315 PolarHBondContact O-OD1 2.84Å; F312-N315 VanDerWaalsContact C-N 3.33Å; F312-N315 HydrophobicContact CD2-CB 4.38Å; F312-N315 CarbonylContact O-C 3.57Å; F312-N315 VanDerWaalsContact O-CA 3.24Å; F312-N315 WeakPolarHBondContact O-CA 3.39Å; F312-N315 PolarHBondContact O-N 2.77Å; V313-N315 VanDerWaalsContact C-N 3.26Å; V313-N315 PolarHBondContact O-N 2.83Å; N315-L319 HydrophobicContact CB-CD1 3.98Å; N315-L319 HydrophobicContact CB-CG 4.16Å; N315-L319 WeakPolarHBondContact O-CA 3.28Å; N315-L319 WeakPolarHBondContact O-CB 3.32Å; N315-L319 WeakPolarHBondContact O-CD1 3.37Å; N315-L319 WeakPolarHBondContact O-CG 3.35Å; N315-L319 PolarHBondContact O-N 2.74Å |
| 316 | I | 46.4 | Very low | 38.4 | Very low | 15 Ų | 15 | 60.5 Ų | 60.5 | 8% | 0.077 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -80.2 | -46 | 161.8 | -77 | 179.5 | 0 | 0 | 0 | 106.3 | L121 I146 F267 F312 L319 I320 | L121-I316 HydrophobicContact CD2-CD1 3.47Å; L121-I316 VanDerWaalsContact CD2-CD1 3.47Å; I146-I316 HydrophobicContact CD1-CG2 3.78Å; F267-I316 HydrophobicContact CE2-CD1 4.48Å; F312-I316 HydrophobicContact CD1-CD1 4.01Å; F312-I316 HydrophobicContact CD1-CG1 4.04Å; F312-I316 HydrophobicContact CD2-CG1 4.15Å; F312-I316 HydrophobicContact CE1-CD1 3.15Å; F312-I316 HydrophobicContact CE1-CG1 3.47Å; F312-I316 VanDerWaalsContact CE1-CG1 3.47Å; F312-I316 HydrophobicContact CE2-CD1 4.01Å; F312-I316 HydrophobicContact CE2-CG1 3.41Å; F312-I316 VanDerWaalsContact CE2-CG1 3.41Å; F312-I316 HydrophobicContact CG-CG1 4.47Å; F312-I316 HydrophobicContact CZ-CD1 3.19Å; F312-I316 HydrophobicContact CZ-CG1 3.15Å; F312-I316 PolarHBondContact O-N 3.49Å; I316-L319 CarbonylContact O-C 3.56Å; I316-I320 HydrophobicContact CG2-CD1 3.57Å; I316-I320 HydrophobicContact CG2-CG1 4.29Å; I316-I320 WeakPolarHBondContact O-CB 3.25Å; I316-I320 VanDerWaalsContact O-CG1 3.23Å; I316-I320 WeakPolarHBondContact O-CG1 3.45Å; I316-I320 PolarHBondContact O-N 3.2Å |
| 317 | K | 41.4 | Very low | 37.8 | Very low | 70 Ų | 70 | 59.4 Ų | 59.4 | 30% | 0.304 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -56.6 | -56.4 | 168.7 | -71.3 | -172.7 | 176.1 | -175.1 | 0 | 108.6 | T123 I146 V313 I320 Y321 | T123-K317 VanDerWaalsContact O-CE 3.24Å; T123-K317 WeakPolarHBondContact O-CE 3.23Å; T123-K317 PolarHBondContact O-NZ 2.9Å; I146-K317 HydrophobicContact CD1-CG 4.34Å; V313-K317 PolarHBondContact O-N 3.3Å; K317-I320 PolarHBondContact O-N 3.34Å; K317-Y321 HydrophobicContact CB-CD2 4.43Å; K317-Y321 WeakPolarHBondContact O-CB 3.36Å; K317-Y321 WeakPolarHBondContact O-CD2 3.38Å; K317-Y321 PolarHBondContact O-N 2.71Å |
| 318 | R | 38.9 | Very low | 37.2 | Very low | 150 Ų | 150 | 67.5 Ų | 67.5 | 57% | 0.566 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -57.5 | -58.8 | 173.7 | -100.1 | 177.4 | 167.3 | -169.5 | -1.6 | 111.3 | A314 I320 Y321 I322 | A314-R318 WeakPolarHBondContact O-CA 3.18Å; A314-R318 WeakPolarHBondContact O-CB 3.5Å; A314-R318 PolarHBondContact O-N 3.27Å; R318-I320 PolarHBondContact O-N 3.31Å; R318-I320 VanDerWaalsContact O-N 3.1Å; R318-Y321 CarbonylContact O-C 3.25Å; R318-Y321 WeakPolarHBondContact O-CA 3.15Å; R318-Y321 WeakPolarHBondContact O-CB 3.24Å; R318-Y321 PolarHBondContact O-N 3.31Å; R318-I322 HydrophobicContact CB-CB 4.44Å; R318-I322 HydrophobicContact CB-CD1 3.59Å; R318-I322 HydrophobicContact CB-CG1 3.85Å; R318-I322 HydrophobicContact CG-CD1 3.44Å; R318-I322 VanDerWaalsContact CG-CD1 3.44Å; R318-I322 HydrophobicContact CG-CG1 3.89Å; R318-I322 WeakPolarHBondContact O-CA 3.32Å; R318-I322 WeakPolarHBondContact O-CB 3.35Å; R318-I322 VanDerWaalsContact O-CG1 3.23Å; R318-I322 WeakPolarHBondContact O-CG1 3.38Å; R318-I322 PolarHBondContact O-N 2.81Å |
| 319 | L | 39.8 | Very low | 37.4 | Very low | 40 Ų | 40 | 63.4 Ų | 63.4 | 21% | 0.209 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.2 | -10.9 | 179.4 | -67.2 | 156.7 | 0 | 0 | 0 | 115.1 | F265 N315 I316 I322 S323 | F265-L319 HydrophobicContact CE1-CB 4.06Å; F265-L319 HydrophobicContact CE1-CD1 4.03Å; F265-L319 HydrophobicContact CE1-CD2 4.2Å; F265-L319 HydrophobicContact CE1-CG 4.33Å; F265-L319 HydrophobicContact CZ-CB 3.74Å; F265-L319 HydrophobicContact CZ-CD2 4.23Å; F265-L319 HydrophobicContact CZ-CG 4.41Å; N315-L319 HydrophobicContact CB-CD1 3.98Å; N315-L319 HydrophobicContact CB-CG 4.16Å; N315-L319 WeakPolarHBondContact O-CA 3.28Å; N315-L319 WeakPolarHBondContact O-CB 3.32Å; N315-L319 WeakPolarHBondContact O-CD1 3.37Å; N315-L319 WeakPolarHBondContact O-CG 3.35Å; N315-L319 PolarHBondContact O-N 2.74Å; I316-L319 CarbonylContact O-C 3.56Å; L319-I322 HydrophobicContact CD2-CG2 4.46Å; L319-S323 VanDerWaalsContact C-N 3.29Å; L319-S323 VanDerWaalsContact O-CA 3.25Å; L319-S323 WeakPolarHBondContact O-CA 3.18Å; L319-S323 WeakPolarHBondContact O-CB 3.41Å; L319-S323 PolarHBondContact O-N 3Å; L319-S323 PolarHBondContact O-OG 3.26Å |
| 320 | I | 42.7 | Very low | 37 | Very low | 20 Ų | 20 | 64.6 Ų | 64.6 | 10% | 0.103 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -94.6 | -19.3 | 165.6 | -65.9 | 173.7 | 0 | 0 | 0 | 110.6 | L62 I146 I316 K317 R318 S323 | L62-I320 HydrophobicContact CD1-CD1 3.84Å; L62-I320 HydrophobicContact CD2-CD1 4.21Å; I146-I320 HydrophobicContact CD1-CD1 3.87Å; I146-I320 HydrophobicContact CG2-CD1 4.2Å; I146-I320 HydrophobicContact CG2-CG2 4.01Å; I316-I320 HydrophobicContact CG2-CD1 3.57Å; I316-I320 HydrophobicContact CG2-CG1 4.29Å; I316-I320 WeakPolarHBondContact O-CB 3.25Å; I316-I320 VanDerWaalsContact O-CG1 3.23Å; I316-I320 WeakPolarHBondContact O-CG1 3.45Å; I316-I320 PolarHBondContact O-N 3.2Å; K317-I320 PolarHBondContact O-N 3.34Å; R318-I320 PolarHBondContact O-N 3.31Å; R318-I320 VanDerWaalsContact O-N 3.1Å; I320-S323 WeakPolarHBondContact CA-OG 3.45Å; I320-S323 PolarHBondContact O-OG 3.46Å |
| 321 | Y | 34.7 | Very low | 37.1 | Very low | 52 Ų | 52 | 61.6 Ų | 61.6 | 20% | 0.204 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -102.7 | 12.9 | 166.2 | -71.8 | -72.5 | 0 | 0 | 0 | 113.8 | V53 K317 R318 T324 | V53-Y321 WeakPolarHBondContact CG2-O 3.35Å; K317-Y321 HydrophobicContact CB-CD2 4.43Å; K317-Y321 WeakPolarHBondContact O-CB 3.36Å; K317-Y321 WeakPolarHBondContact O-CD2 3.38Å; K317-Y321 PolarHBondContact O-N 2.71Å; R318-Y321 CarbonylContact O-C 3.25Å; R318-Y321 WeakPolarHBondContact O-CA 3.15Å; R318-Y321 WeakPolarHBondContact O-CB 3.24Å; R318-Y321 PolarHBondContact O-N 3.31Å; Y321-T324 PolarHBondContact O-OG1 3.28Å |
| 322 | I | 31.2 | Very low | 37.1 | Very low | 55 Ų | 55 | 61.4 Ų | 61.4 | 28% | 0.282 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -154.8 | -14.5 | -167.9 | -69 | -167.9 | 0 | 0 | 0 | 108.6 | R318 L319 T324 V325 | R318-I322 HydrophobicContact CB-CB 4.44Å; R318-I322 HydrophobicContact CB-CD1 3.59Å; R318-I322 HydrophobicContact CB-CG1 3.85Å; R318-I322 HydrophobicContact CG-CD1 3.44Å; R318-I322 VanDerWaalsContact CG-CD1 3.44Å; R318-I322 HydrophobicContact CG-CG1 3.89Å; R318-I322 WeakPolarHBondContact O-CA 3.32Å; R318-I322 WeakPolarHBondContact O-CB 3.35Å; R318-I322 VanDerWaalsContact O-CG1 3.23Å; R318-I322 WeakPolarHBondContact O-CG1 3.38Å; R318-I322 PolarHBondContact O-N 2.81Å; L319-I322 HydrophobicContact CD2-CG2 4.46Å; I322-T324 PolarHBondContact N-OG1 3.08Å; I322-T324 PolarHBondContact O-N 3.21Å; I322-V325 HydrophobicContact CB-CG2 4.17Å; I322-V325 HydrophobicContact CG1-CG2 4.19Å; I322-V325 HydrophobicContact CG2-CB 4.17Å; I322-V325 HydrophobicContact CG2-CG2 3.71Å; I322-V325 PolarHBondContact O-N 3.39Å |
| 323 | S | 33.3 | Very low | 36.6 | Very low | 3 Ų | 3 | 64.3 Ų | 64.3 | 2% | 0.021 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | 10.8 | 132 | 61.3 | 0 | 0 | 0 | 0 | 111.7 | S56 Y57 L319 I320 | S56-S323 PolarHBondContact OG-O 2.98Å; Y57-S323 VanDerWaalsContact CA-O 3.24Å; Y57-S323 WeakPolarHBondContact CA-O 3.46Å; Y57-S323 WeakPolarHBondContact CB-O 3.46Å; Y57-S323 VanDerWaalsContact CD2-C 3.44Å; Y57-S323 WeakPolarHBondContact CD2-O 3.4Å; Y57-S323 PolarHBondContact N-O 3.45Å; L319-S323 VanDerWaalsContact C-N 3.29Å; L319-S323 VanDerWaalsContact O-CA 3.25Å; L319-S323 WeakPolarHBondContact O-CA 3.18Å; L319-S323 WeakPolarHBondContact O-CB 3.41Å; L319-S323 PolarHBondContact O-N 3Å; L319-S323 PolarHBondContact O-OG 3.26Å; I320-S323 WeakPolarHBondContact CA-OG 3.45Å; I320-S323 PolarHBondContact O-OG 3.46Å |
| 324 | T | 37 | Very low | 36.3 | Very low | 19 Ų | 19 | 65.9 Ų | 65.9 | 12% | 0.117 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -126.2 | 20.9 | 171.6 | 74.5 | 0 | 0 | 0 | 0 | 120.3 | P54 A55 S56 Y321 I322 | P54-T324 CarbonylContact C-O 3.53Å; P54-T324 CarbonylContact O-C 3.59Å; P54-T324 WeakPolarHBondContact O-CB 3.47Å; P54-T324 PolarHBondContact O-OG1 2.92Å; A55-T324 VanDerWaalsContact C-CA 3.49Å; A55-T324 CarbonylContact C-O 3.58Å; A55-T324 VanDerWaalsContact C-O 3.25Å; A55-T324 HydrophobicContact CB-CG2 4.08Å; S56-T324 VanDerWaalsContact CB-O 3.24Å; S56-T324 WeakPolarHBondContact CB-O 3.34Å; S56-T324 PolarHBondContact N-O 3.14Å; S56-T324 WeakPolarHBondContact OG-CA 3.25Å; S56-T324 PolarHBondContact OG-N 3.39Å; Y321-T324 PolarHBondContact O-OG1 3.28Å; I322-T324 PolarHBondContact N-OG1 3.08Å; I322-T324 PolarHBondContact O-N 3.21Å |
| 325 | V | 31.9 | Very low | 36.2 | Very low | 74 Ų | 74 | 66.4 Ų | 66.4 | 45% | 0.448 | 32% | 0.318 | S | S | . | . | trans | -100.3 | 140.8 | 167.4 | 174.5 | 0 | 0 | 0 | 0 | 117.3 | S56 I322 | S56-V325 WeakPolarHBondContact CB-O 3.48Å; S56-V325 WeakPolarHBondContact OG-CA 3.43Å; S56-V325 PolarHBondContact OG-N 3.25Å; S56-V325 PolarHBondContact OG-O 3.28Å; I322-V325 HydrophobicContact CB-CG2 4.17Å; I322-V325 HydrophobicContact CG1-CG2 4.19Å; I322-V325 HydrophobicContact CG2-CB 4.17Å; I322-V325 HydrophobicContact CG2-CG2 3.71Å; I322-V325 PolarHBondContact O-N 3.39Å | ||
| 326 | N | 26.6 | Very low | 35.9 | Very low | 122 Ų | 122 | 69.8 Ų | 69.8 | 65% | 0.652 | 33% | 0.333 | S | S | * | . | trans | -103.8 | 132.7 | 151.6 | -179.4 | 33 | 0 | 0 | 0 | 108.3 | F328 | N326-F328 PolarHBondContact ND2-O 2.93Å; N326-F328 PolarHBondContact O-N 3.24Å | ||
| 327 | P | 30.3 | Very low | 35 | Very low | 42 Ų | 42 | 74.4 Ų | 74.4 | 27% | 0.273 | 36% | 0.355 | S | S | . | . | trans | -84.8 | 106.8 | 165.7 | 31.8 | -27.2 | 0 | 0 | 0 | 109.5 | I297 | I297-P327 HydrophobicContact CG2-CG 4.48Š| ||
| 328 | F | 32.2 | Very low | 34.4 | Very low | 246 Ų | 246 | 74.8 Ų | 74.8 | 100% | 1.079 | 36% | 0.359 | S | S | * | . | trans | 76 | 0 | 173.6 | -55.9 | -80.7 | 0 | 0 | 0 | 117.1 | N326 | N326-F328 PolarHBondContact ND2-O 2.93Å; N326-F328 PolarHBondContact O-N 3.24Å |
Retrieved 328 of 328 residues in 149 ms
(Link to these results)