| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 40.9 | Very low | 34.5 | Very low | 53 Ų | 53 | 102.5 Ų | 102.5 | 26% | 0.261 | 54% | 0.539 | S | S | . | . | 0 | -27.8 | 0 | -84.9 | 160.1 | 148.5 | 0 | 0 | 112.6 | V3 N4 M5 E51 E55 L524 | M1-V3 PolarHBondContact O-N 2.88Å; M1-N4 PolarHBondContact O-N 3.46Å; M1-M5 HydrophobicContact CB-CE 4.49Å; M1-M5 HydrophobicContact CB-CG 4.45Å; M1-M5 PolarHBondContact O-N 3.44Å; M1-E51 PolarHBondContact N-OE1 2.93Å; M1-E51 PolarHBondContact N-OE2 3.3Å; M1-E55 HydrophobicContact SD-CG 4.02Å; M1-L524 HydrophobicContact CE-CD1 3.7Å; M1-L524 HydrophobicContact CE-CD2 4.42Å | |||
| 2 | L | 37.5 | Very low | 34 | Very low | 19 Ų | 19 | 104.3 Ų | 104.3 | 10% | 0.099 | 56% | 0.557 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -60.3 | -16.6 | -171 | -65.5 | 165.1 | 0 | 0 | 0 | 117.1 | N6 I22 E51 L54 W80 | L2-N6 PolarHBondContact O-ND2 3.1Å; L2-I22 HydrophobicContact CD2-CD1 3.88Å; L2-E51 HydrophobicContact CD1-CG 4.15Å; L2-E51 WeakPolarHBondContact CG-OE1 3.34Å; L2-E51 PolarHBondContact N-OE1 2.75Å; L2-L54 HydrophobicContact CD1-CD1 3.99Å; L2-L54 HydrophobicContact CD2-CD1 4.05Å; L2-L54 HydrophobicContact CG-CD1 4.47Å; L2-W80 HydrophobicContact CD1-CB 4.41Å; L2-W80 HydrophobicContact CD1-CD2 4.29Å; L2-W80 HydrophobicContact CD1-CE3 3.85Å; L2-W80 HydrophobicContact CD2-CB 4.37Å |
| 3 | V | 38.8 | Very low | 33.8 | Very low | 89 Ų | 89 | 108.8 Ų | 108.8 | 54% | 0.539 | 58% | 0.579 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.4 | -41.3 | 173.3 | -178.4 | 0 | 0 | 0 | 0 | 111.5 | M1 | M1-V3 PolarHBondContact O-N 2.88Š|
| 4 | N | 39.9 | Very low | 33.9 | Very low | 39 Ų | 39 | 109.4 Ų | 109.4 | 21% | 0.209 | 58% | 0.58 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -82 | -28.1 | -171.5 | -59.9 | 0.3 | 0 | 0 | 0 | 113.2 | M1 N6 E7 Q473 | M1-N4 PolarHBondContact O-N 3.46Å; N4-N6 PolarHBondContact O-N 2.72Å; N4-N6 VanDerWaalsContact O-N 3.13Å; N4-E7 PolarHBondContact O-N 3.14Å; N4-Q473 PolarHBondContact OD1-NE2 3.39Å |
| 5 | M | 35.3 | Very low | 33.6 | Very low | 84 Ų | 84 | 106.3 Ų | 106.3 | 41% | 0.414 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -64.4 | -17.5 | 178.5 | -67.4 | -160.8 | -64 | 0 | 0 | 113.3 | M1 | M1-M5 HydrophobicContact CB-CE 4.49Å; M1-M5 HydrophobicContact CB-CG 4.45Å; M1-M5 PolarHBondContact O-N 3.44Å |
| 6 | N | 32.5 | Very low | 34.2 | Very low | 112 Ų | 112 | 106.1 Ų | 106.1 | 60% | 0.599 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -82.4 | -8.9 | 175.2 | -66.4 | -36 | 0 | 0 | 0 | 113.7 | L2 N4 | L2-N6 PolarHBondContact O-ND2 3.1Å; N4-N6 PolarHBondContact O-N 2.72Å; N4-N6 VanDerWaalsContact O-N 3.13Å |
| 7 | E | 33.7 | Very low | 34.8 | Very low | 164 Ų | 164 | 108.6 Ų | 108.6 | 77% | 0.766 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -99.9 | -23.2 | 177 | -66 | -168.2 | 151.3 | 0 | 0 | 113.3 | N4 | N4-E7 PolarHBondContact O-N 3.14Å |
| 8 | E | 33.7 | Very low | 35.6 | Very low | 171 Ų | 171 | 110.3 Ų | 110.3 | 80% | 0.799 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -93.8 | -14.2 | -179.9 | -73.6 | -170.9 | 136.1 | 0 | 0 | 114.8 | ||
| 9 | F | 32.2 | Very low | 36.5 | Very low | 177 Ų | 177 | 107.9 Ų | 107.9 | 78% | 0.776 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -99.8 | 88.4 | 172.1 | -76.9 | -79.3 | 0 | 0 | 0 | 111.3 | ||
| 10 | G | 27.8 | Very low | 37.8 | Very low | 59 Ų | 59 | 105.2 Ų | 105.2 | 61% | 0.608 | 57% | 0.568 | S | S | * | * | trans | -63.6 | 140.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | T12 | G10-T12 PolarHBondContact O-N 3.13Š| ||
| 11 | D | 26.9 | Very low | 39.5 | Very low | 160 Ų | 160 | 102.2 Ų | 102.2 | 86% | 0.856 | 56% | 0.555 | S | S | * | * | trans | 38.1 | 64 | 147.8 | -61.8 | -24.5 | 0 | 0 | 0 | 117.9 | ||||
| 12 | T | 28.7 | Very low | 41.6 | Very low | 124 Ų | 124 | 100.6 Ų | 100.6 | 76% | 0.761 | 55% | 0.547 | S | S | * | . | trans | -98.6 | 106 | 146 | -52.9 | 0 | 0 | 0 | 0 | 108.5 | G10 I14 | G10-T12 PolarHBondContact O-N 3.13Å; T12-I14 VanDerWaalsContact C-N 3.27Å; T12-I14 HydrophobicContact CG2-CG1 4.49Å; T12-I14 PolarHBondContact O-N 3.24Å | ||
| 13 | I | 31.4 | Very low | 43.9 | Very low | 163 Ų | 163 | 99.8 Ų | 99.8 | 84% | 0.836 | 54% | 0.543 | S | S | * | . | trans | -71.4 | 80.5 | -175.6 | -53 | 174 | 0 | 0 | 0 | 110.2 | ||||
| 14 | I | 35.5 | Very low | 46.4 | Very low | 117 Ų | 117 | 96 Ų | 96 | 60% | 0.6 | 52% | 0.52 | S | S | * | . | trans | -91.8 | 125.9 | 156.6 | -54.9 | 178.2 | 0 | 0 | 0 | 106 | T12 S16 L19 | T12-I14 VanDerWaalsContact C-N 3.27Å; T12-I14 HydrophobicContact CG2-CG1 4.49Å; T12-I14 PolarHBondContact O-N 3.24Å; I14-S16 PolarHBondContact O-N 2.9Å; I14-S16 VanDerWaalsContact O-N 3.16Å; I14-L19 HydrophobicContact CG2-CD1 3.9Å | ||
| 15 | S | 29.2 | Very low | 48.8 | Very low | 64 Ų | 64 | 94.4 Ų | 94.4 | 45% | 0.448 | 51% | 0.512 | S | S | . | . | trans | -52.2 | 122.1 | -173.6 | 57.7 | 0 | 0 | 0 | 0 | 111.9 | D17 Q18 | S15-D17 PolarHBondContact O-N 2.59Å; S15-Q18 PolarHBondContact O-N 3.28Å | ||
| 16 | S | 42.5 | Very low | 51.6 | Low | 102 Ų | 102 | 90.4 Ų | 90.4 | 71% | 0.713 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -21.9 | -174.9 | 50.2 | 0 | 0 | 0 | 0 | 115 | I14 Q18 | I14-S16 PolarHBondContact O-N 2.9Å; I14-S16 VanDerWaalsContact O-N 3.16Å; S16-Q18 VanDerWaalsContact C-N 3.35Å; S16-Q18 PolarHBondContact O-N 3.38Å |
| 17 | D | 44.4 | Very low | 54.6 | Low | 149 Ų | 149 | 85.1 Ų | 85.1 | 80% | 0.797 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | 2.6 | -168.5 | -64.8 | -1.3 | 0 | 0 | 0 | 114.6 | S15 | S15-D17 PolarHBondContact O-N 2.59Š|
| 18 | Q | 50.1 | Low | 57.6 | Low | 140 Ų | 140 | 82.5 Ų | 82.5 | 65% | 0.654 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -114.5 | -25.7 | -176.3 | -64.4 | -165.4 | 3.6 | 0 | 0 | 115.8 | S15 S16 | S15-Q18 PolarHBondContact O-N 3.28Å; S16-Q18 VanDerWaalsContact C-N 3.35Å; S16-Q18 PolarHBondContact O-N 3.38Å |
| 19 | L | 53.4 | Low | 60.5 | Low | 64 Ų | 64 | 77 Ų | 77 | 34% | 0.335 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -97 | 134.9 | -176.5 | -74.4 | 155.6 | 0 | 0 | 0 | 111.2 | I14 R84 | I14-L19 HydrophobicContact CG2-CD1 3.9Å; L19-R84 HydrophobicContact CD2-CB 4.42Å |
| 20 | L | 61.3 | Low | 63.2 | Low | 54 Ų | 54 | 70 Ų | 70 | 28% | 0.283 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 153.9 | 173.2 | -71.7 | 171.5 | 0 | 0 | 0 | 110.6 | R84 R86 | L20-R84 WeakPolarHBondContact O-CD 3.43Å; L20-R84 PolarHBondContact O-NH1 3.25Å; L20-R86 HydrophobicContact CD1-CB 4.11Å; L20-R86 HydrophobicContact CD1-CG 3.82Å; L20-R86 HydrophobicContact CG-CG 4.35Å |
| 21 | S | 73.4 | Confident | 66.1 | Low | 42 Ų | 42 | 68.5 Ų | 68.5 | 29% | 0.294 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 147.6 | 163.3 | 60.2 | 0 | 0 | 0 | 0 | 109.7 | L24 T427 | S21-L24 WeakPolarHBondContact O-CB 3.33Å; S21-L24 PolarHBondContact O-N 2.9Å; S21-L24 WeakPolarHBondContact OG-CD1 3.35Å; S21-L24 WeakPolarHBondContact OG-CG 3.17Å; S21-T427 WeakPolarHBondContact OG-CG2 3.13Å |
| 22 | I | 84.6 | Confident | 69.2 | Low | 20 Ų | 20 | 64 Ų | 64 | 10% | 0.103 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | 136 | -176.3 | -156.9 | 173.7 | 0 | 0 | 0 | 111.8 | L2 W80 N424 P426 | L2-I22 HydrophobicContact CD2-CD1 3.88Å; I22-W80 HydrophobicContact CB-CE3 4.4Å; I22-W80 HydrophobicContact CD1-CE3 4.3Å; I22-W80 WeakPolarHBondContact CD1-O 3.26Å; I22-W80 HydrophobicContact CG1-CB 4.28Å; I22-W80 HydrophobicContact CG1-CD2 4.5Å; I22-W80 HydrophobicContact CG1-CE3 3.83Å; I22-W80 HydrophobicContact CG2-CE3 4.1Å; I22-W80 HydrophobicContact CG2-CZ3 4.07Å; I22-N424 PolarHBondContact O-ND2 3.34Å; I22-P426 HydrophobicContact CG2-CB 4.14Å; I22-P426 HydrophobicContact CG2-CG 3.63Å |
| 23 | G | 87.5 | Confident | 72.4 | Confident | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.01 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.2 | 6.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | F79 F433 | G23-F79 WeakPolarHBondContact CA-O 3.33Å; G23-F79 PolarHBondContact N-O 2.79Å; G23-F433 WeakPolarHBondContact O-CE1 3.44Å; G23-F433 WeakPolarHBondContact O-CZ 3.38Å |
| 24 | L | 90.6 | Very high | 75.5 | Confident | 11 Ų | 11 | 50.6 Ų | 50.6 | 6% | 0.058 | 28% | 0.283 | C | S | . | . | trans | -100.6 | 25.3 | -179.3 | -61.7 | -165.1 | 0 | 0 | 0 | 115.6 | S21 N424 Y431 F433 V438 | S21-L24 WeakPolarHBondContact O-CB 3.33Å; S21-L24 PolarHBondContact O-N 2.9Å; S21-L24 WeakPolarHBondContact OG-CD1 3.35Å; S21-L24 WeakPolarHBondContact OG-CG 3.17Å; L24-N424 HydrophobicContact CD2-CB 4.1Å; L24-Y431 HydrophobicContact CD1-CD1 3.92Å; L24-Y431 HydrophobicContact CD1-CE1 3.45Å; L24-Y431 VanDerWaalsContact CD1-CE1 3.45Å; L24-Y431 HydrophobicContact CD1-CE2 4.23Å; L24-Y431 HydrophobicContact CD1-CG 4.48Å; L24-Y431 HydrophobicContact CD2-CD1 3.97Å; L24-Y431 HydrophobicContact CD2-CD2 3.87Å; L24-Y431 HydrophobicContact CD2-CE1 4.24Å; L24-Y431 HydrophobicContact CD2-CE2 4.18Å; L24-Y431 HydrophobicContact CD2-CG 3.78Å; L24-F433 HydrophobicContact CD2-CZ 3.98Å; L24-V438 HydrophobicContact CB-CG1 4.31Å; L24-V438 HydrophobicContact CD2-CG1 4.38Å; L24-V438 WeakPolarHBondContact O-CG2 3.3Å | ||
| 25 | G | 90.4 | Very high | 78.4 | Confident | 4 Ų | 4 | 45.2 Ų | 45.2 | 4% | 0.041 | 26% | 0.255 | C | S | . | . | trans | -79.8 | 140.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q41 F79 | G25-Q41 PolarHBondContact O-NE2 2.67Å; G25-F79 WeakPolarHBondContact O-CE1 3.5Å | ||
| 26 | G | 94.2 | Very high | 81.6 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 167 | 173 | 0 | 0 | 0 | 0 | 0 | 113.9 | R86 C87 F88 D435 | G26-R86 PolarHBondContact N-O 3.35Å; G26-C87 WeakPolarHBondContact O-CA 3.35Å; G26-F88 PolarHBondContact O-N 2.99Å; G26-D435 CarbonylContact C-O 3.58Å; G26-D435 VanDerWaalsContact CA-O 3.31Å; G26-D435 WeakPolarHBondContact CA-O 3.2Å |
| 27 | L | 96.3 | Very high | 84.2 | Confident | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 122.9 | 175.6 | -72.7 | 175.3 | 0 | 0 | 0 | 111.1 | N29 N37 L40 Q41 L75 F79 F88 A90 D435 E436 | L27-N29 PolarHBondContact O-N 3.09Å; L27-N37 HydrophobicContact CB-CB 3.91Å; L27-N37 HydrophobicContact CD1-CB 3.91Å; L27-N37 PolarHBondContact O-ND2 2.84Å; L27-L40 HydrophobicContact CD1-CB 3.91Å; L27-L40 HydrophobicContact CD1-CD1 4.23Å; L27-Q41 HydrophobicContact CD1-CG 4.03Å; L27-L75 HydrophobicContact CD2-CD1 3.96Å; L27-L75 HydrophobicContact CD2-CD2 4.44Å; L27-F79 HydrophobicContact CD1-CZ 4.24Å; L27-F79 HydrophobicContact CD2-CE1 4.33Å; L27-F79 HydrophobicContact CD2-CZ 3.74Å; L27-F79 HydrophobicContact CG-CZ 3.85Å; L27-F88 HydrophobicContact CD2-CB 4.07Å; L27-A90 HydrophobicContact CD2-CB 4.16Å; L27-D435 PolarHBondContact N-O 3.5Å; L27-D435 CarbonylContact O-C 3.57Å; L27-D435 WeakPolarHBondContact O-CA 3.27Å; L27-D435 VanDerWaalsContact O-CB 3.3Å; L27-D435 WeakPolarHBondContact O-CB 3.36Å; L27-E436 PolarHBondContact O-N 2.98Å |
| 28 | R | 95.8 | Very high | 86.8 | Confident | 110 Ų | 110 | 30.6 Ų | 30.6 | 42% | 0.415 | 16% | 0.164 | S | C | . | . | trans | -58.2 | 137.6 | 174.4 | -173.9 | 164.3 | -60.7 | -58.9 | -15.4 | 110.4 | N37 C87 F88 E436 | R28-N37 PolarHBondContact O-ND2 3.39Å; R28-C87 PolarHBondContact NH2-SG 3.39Å; R28-C87 VanDerWaalsContact NH2-SG 3.41Å; R28-F88 WeakPolarHBondContact CB-O 3.19Å; R28-F88 PolarHBondContact N-O 3.48Å; R28-E436 IonicContact CZ-OE2 2.67Å; R28-E436 IonicContact NH1-OE1 3.61Å; R28-E436 IonicContact NH1-OE2 3.28Å; R28-E436 PolarHBondContact NH1-OE2 3.03Å; R28-E436 IonicContact NH2-OE2 3.9Å; R28-E436 PolarHBondContact NH2-OE2 3.25Å | ||
| 29 | N | 94.6 | Very high | 89.1 | Confident | 54 Ų | 54 | 24 Ų | 24 | 29% | 0.289 | 13% | 0.133 | S | C | . | . | trans | -81 | 120.2 | 169.5 | -164.2 | -48.6 | 0 | 0 | 0 | 108.8 | L27 G31 N32 T33 D435 | L27-N29 PolarHBondContact O-N 3.09Å; N29-G31 VanDerWaalsContact C-N 3.3Å; N29-G31 WeakPolarHBondContact OD1-CA 3.26Å; N29-G31 PolarHBondContact OD1-N 3.1Å; N29-N32 PolarHBondContact OD1-N 3.48Å; N29-T33 PolarHBondContact OD1-N 2.86Å; N29-T33 VanDerWaalsContact OD1-N 3.17Å; N29-D435 HydrophobicContact CB-CB 4.18Å; N29-D435 WeakPolarHBondContact CB-OD2 3.3Å; N29-D435 PolarHBondContact ND2-OD2 2.87Å | ||
| 30 | S | 89.7 | Confident | 91.2 | Very high | 31 Ų | 31 | 20.9 Ų | 20.9 | 22% | 0.217 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -96.1 | 20.1 | -178.9 | -61.7 | 0 | 0 | 0 | 0 | 112.8 | T33 N91 Y107 | S30-T33 PolarHBondContact N-OG1 3.46Å; S30-N91 WeakPolarHBondContact CB-OD1 3.49Å; S30-N91 PolarHBondContact OG-OD1 3.18Å; S30-Y107 WeakPolarHBondContact O-CE1 3.09Å |
| 31 | G | 87.1 | Confident | 92.9 | Very high | 28 Ų | 28 | 18.5 Ų | 18.5 | 29% | 0.289 | 10% | 0.104 | S | C | . | . | S | Bend | trans | 105.8 | 95.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | N29 T33 | N29-G31 VanDerWaalsContact C-N 3.3Å; N29-G31 WeakPolarHBondContact OD1-CA 3.26Å; N29-G31 PolarHBondContact OD1-N 3.1Å; G31-T33 PolarHBondContact O-N 2.83Å |
| 32 | N | 92.2 | Very high | 94.1 | Very high | 66 Ų | 66 | 16.6 Ų | 16.6 | 35% | 0.353 | 9% | 0.091 | S | C | . | . | S | Bend | trans | 59.8 | 18.4 | -176 | -74.3 | -44.7 | 0 | 0 | 0 | 115.3 | N29 C34 Y35 Y107 Q109 | N29-N32 PolarHBondContact OD1-N 3.48Å; N32-C34 VanDerWaalsContact C-N 3.26Å; N32-C34 PolarHBondContact O-N 3.33Å; N32-Y35 WeakPolarHBondContact O-CD1 3.25Å; N32-Y35 VanDerWaalsContact O-CE1 3.3Å; N32-Y35 WeakPolarHBondContact O-CE1 3.14Å; N32-Y107 WeakPolarHBondContact CB-O 3.48Å; N32-Y107 PolarHBondContact ND2-O 3.24Å; N32-Q109 HydrophobicContact CB-CG 3.78Å; N32-Q109 WeakPolarHBondContact OD1-CG 3.47Å; N32-Q109 PolarHBondContact OD1-NE2 3.09Å |
| 33 | T | 95.4 | Very high | 94.7 | Very high | 3 Ų | 3 | 15.6 Ų | 15.6 | 2% | 0.018 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | 10.6 | -177.2 | 66.8 | 0 | 0 | 0 | 0 | 114.4 | N29 S30 G31 Y35 M36 N37 L94 | N29-T33 PolarHBondContact OD1-N 2.86Å; N29-T33 VanDerWaalsContact OD1-N 3.17Å; S30-T33 PolarHBondContact N-OG1 3.46Å; G31-T33 PolarHBondContact O-N 2.83Å; T33-Y35 PolarHBondContact O-N 2.69Å; T33-M36 WeakPolarHBondContact O-CB 3.44Å; T33-M36 PolarHBondContact O-N 3.33Å; T33-N37 PolarHBondContact O-N 2.76Å; T33-L94 HydrophobicContact CG2-CD2 3.88Å |
| 34 | C | 97 | Very high | 95.1 | Very high | 2 Ų | 2 | 15.6 Ų | 15.6 | 1% | 0.014 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -62.2 | -27.6 | -176.4 | 55.9 | 0 | 0 | 0 | 0 | 113.3 | N32 M36 N37 A38 H417 | N32-C34 VanDerWaalsContact C-N 3.26Å; N32-C34 PolarHBondContact O-N 3.33Å; C34-M36 VanDerWaalsContact C-N 3.34Å; C34-M36 PolarHBondContact O-N 2.79Å; C34-N37 PolarHBondContact O-N 2.85Å; C34-A38 VanDerWaalsContact O-CB 3.29Å; C34-A38 WeakPolarHBondContact O-CB 3.32Å; C34-A38 PolarHBondContact O-N 2.88Å; C34-H417 VanDerWaalsContact CB-CE1 3.47Å; C34-H417 WeakPolarHBondContact CB-CE1 3.17Å; C34-H417 PolarHBondContact SG-ND1 3.31Å |
| 35 | Y | 96.4 | Very high | 95.3 | Very high | 4 Ų | 4 | 15.7 Ų | 15.7 | 2% | 0.016 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -60.9 | -42.2 | 172.4 | 69.9 | -91.3 | 0 | 0 | 0 | 111.9 | N32 T33 A39 F104 Q110 F115 | N32-Y35 WeakPolarHBondContact O-CD1 3.25Å; N32-Y35 VanDerWaalsContact O-CE1 3.3Å; N32-Y35 WeakPolarHBondContact O-CE1 3.14Å; T33-Y35 PolarHBondContact O-N 2.69Å; Y35-A39 PolarHBondContact O-N 2.88Å; Y35-F104 AromaticContact CE2-CD1 3.67Å; Y35-F104 HydrophobicContact CE2-CD1 3.67Å; Y35-F104 AromaticContact CE2-CE1 3.95Å; Y35-F104 HydrophobicContact CE2-CE1 3.95Å; Y35-F104 AromaticContact CZ-CD1 3.97Å; Y35-Q110 WeakPolarHBondContact CB-O 3.19Å; Y35-Q110 HydrophobicContact CD1-CB 3.89Å; Y35-Q110 HydrophobicContact CD1-CG 4.41Å; Y35-Q110 HydrophobicContact CD2-CB 3.92Å; Y35-Q110 HydrophobicContact CE1-CB 3.83Å; Y35-Q110 HydrophobicContact CE1-CG 3.87Å; Y35-Q110 HydrophobicContact CE2-CB 3.89Å; Y35-Q110 HydrophobicContact CE2-CG 4.29Å; Y35-Q110 HydrophobicContact CG-CB 3.96Å; Y35-F115 HydrophobicContact CD2-CB 3.79Å; Y35-F115 HydrophobicContact CD2-CD2 4.24Å; Y35-F115 AromaticContact CD2-CG 3.98Å; Y35-F115 HydrophobicContact CD2-CG 3.98Å; Y35-F115 HydrophobicContact CE2-CB 4.02Å; Y35-F115 AromaticContact CE2-CD2 3.71Å; Y35-F115 HydrophobicContact CE2-CD2 3.71Å; Y35-F115 HydrophobicContact CE2-CE2 4.47Å; Y35-F115 AromaticContact CE2-CG 3.93Å; Y35-F115 HydrophobicContact CE2-CG 3.93Å |
| 36 | M | 97.2 | Very high | 95.6 | Very high | 1 Ų | 1 | 15.5 Ų | 15.5 | 1% | 0.005 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -70.6 | -47.5 | 175.8 | 169.8 | -179.1 | 82.9 | 0 | 0 | 109.9 | T33 C34 A38 A39 L40 A90 L94 F115 | T33-M36 WeakPolarHBondContact O-CB 3.44Å; T33-M36 PolarHBondContact O-N 3.33Å; C34-M36 VanDerWaalsContact C-N 3.34Å; C34-M36 PolarHBondContact O-N 2.79Å; M36-A38 VanDerWaalsContact C-N 3.3Å; M36-A38 PolarHBondContact O-N 3.29Å; M36-A39 PolarHBondContact O-N 3.45Å; M36-A39 VanDerWaalsContact O-N 3.12Å; M36-L40 HydrophobicContact CE-CD1 4.5Å; M36-L40 HydrophobicContact CG-CD1 3.66Å; M36-L40 HydrophobicContact CG-CG 4.08Å; M36-L40 WeakPolarHBondContact O-CG 3.3Å; M36-L40 PolarHBondContact O-N 3.4Å; M36-L40 HydrophobicContact SD-CD1 4.23Å; M36-A90 HydrophobicContact CE-CB 3.82Å; M36-L94 HydrophobicContact CE-CB 4.12Å; M36-L94 HydrophobicContact CE-CD2 4.5Å; M36-L94 HydrophobicContact SD-CB 3.83Å; M36-L94 HydrophobicContact SD-CD1 3.98Å; M36-L94 HydrophobicContact SD-CG 4.38Å; M36-F115 HydrophobicContact CB-CD1 4.47Å; M36-F115 HydrophobicContact CB-CD2 4.5Å; M36-F115 HydrophobicContact CB-CE1 4.15Å; M36-F115 HydrophobicContact CB-CE2 4.16Å; M36-F115 HydrophobicContact CB-CZ 4Å; M36-F115 HydrophobicContact CG-CE1 3.88Å; M36-F115 HydrophobicContact CG-CE2 3.99Å; M36-F115 HydrophobicContact CG-CZ 3.5Å; M36-F115 HydrophobicContact SD-CE2 4.35Å; M36-F115 HydrophobicContact SD-CZ 4.17Å |
| 37 | N | 97.7 | Very high | 95.4 | Very high | 4 Ų | 4 | 17 Ų | 17 | 2% | 0.021 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -58.7 | -43.5 | -178.4 | -68.7 | -9.3 | 0 | 0 | 0 | 111.2 | L27 R28 T33 C34 Q41 D435 | L27-N37 HydrophobicContact CB-CB 3.91Å; L27-N37 HydrophobicContact CD1-CB 3.91Å; L27-N37 PolarHBondContact O-ND2 2.84Å; R28-N37 PolarHBondContact O-ND2 3.39Å; T33-N37 PolarHBondContact O-N 2.76Å; C34-N37 PolarHBondContact O-N 2.85Å; N37-Q41 WeakPolarHBondContact O-CB 3.23Å; N37-Q41 WeakPolarHBondContact O-CG 3.18Å; N37-Q41 PolarHBondContact O-N 3.46Å; N37-D435 WeakPolarHBondContact CB-OD1 3.41Å; N37-D435 PolarHBondContact ND2-OD1 3.45Å |
| 38 | A | 98.2 | Very high | 95.2 | Very high | 3 Ų | 3 | 17 Ų | 17 | 3% | 0.025 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -62 | -47.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | C34 M36 L40 Q41 A42 I407 T420 | C34-A38 VanDerWaalsContact O-CB 3.29Å; C34-A38 WeakPolarHBondContact O-CB 3.32Å; C34-A38 PolarHBondContact O-N 2.88Å; M36-A38 VanDerWaalsContact C-N 3.3Å; M36-A38 PolarHBondContact O-N 3.29Å; A38-L40 PolarHBondContact O-N 2.86Å; A38-Q41 PolarHBondContact O-N 3.27Å; A38-A42 WeakPolarHBondContact O-CB 3.48Å; A38-A42 PolarHBondContact O-N 3.49Å; A38-I407 HydrophobicContact CB-CG1 4.39Å; A38-I407 HydrophobicContact CB-CG2 4.06Å; A38-T420 WeakPolarHBondContact CA-OG1 3.37Å; A38-T420 WeakPolarHBondContact CB-OG1 3.22Å; A38-T420 PolarHBondContact O-OG1 2.84Å |
| 39 | A | 98.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -60.4 | -44.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113 | Y35 M36 A42 L43 F115 L116 I407 | Y35-A39 PolarHBondContact O-N 2.88Å; M36-A39 PolarHBondContact O-N 3.45Å; M36-A39 VanDerWaalsContact O-N 3.12Å; A39-A42 PolarHBondContact O-N 3.5Å; A39-L43 WeakPolarHBondContact O-CG 3.16Å; A39-L43 PolarHBondContact O-N 2.86Å; A39-F115 HydrophobicContact CB-CD1 3.56Å; A39-F115 HydrophobicContact CB-CE1 3.85Å; A39-L116 HydrophobicContact CB-CB 4.38Å; A39-L116 HydrophobicContact CB-CD1 4.39Å; A39-I407 HydrophobicContact CB-CD1 4.49Å |
| 40 | L | 97.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 9.3 Ų | 9.3 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -64.4 | -41.1 | 178 | -67.6 | 175.9 | 0 | 0 | 0 | 112 | L27 M36 A38 L43 S44 Y72 L75 A90 I93 F119 | L27-L40 HydrophobicContact CD1-CB 3.91Å; L27-L40 HydrophobicContact CD1-CD1 4.23Å; M36-L40 HydrophobicContact CE-CD1 4.5Å; M36-L40 HydrophobicContact CG-CD1 3.66Å; M36-L40 HydrophobicContact CG-CG 4.08Å; M36-L40 WeakPolarHBondContact O-CG 3.3Å; M36-L40 PolarHBondContact O-N 3.4Å; M36-L40 HydrophobicContact SD-CD1 4.23Å; A38-L40 PolarHBondContact O-N 2.86Å; L40-L43 PolarHBondContact O-N 3.23Å; L40-S44 VanDerWaalsContact O-CB 3.26Å; L40-S44 WeakPolarHBondContact O-CB 3.43Å; L40-S44 PolarHBondContact O-N 3.43Å; L40-Y72 HydrophobicContact CD2-CD2 3.89Å; L40-Y72 HydrophobicContact CD2-CE2 3.85Å; L40-L75 HydrophobicContact CB-CD2 4.38Å; L40-L75 HydrophobicContact CD1-CD2 4.09Å; L40-A90 HydrophobicContact CD1-CB 3.95Å; L40-I93 HydrophobicContact CD1-CD1 4.2Å; L40-I93 HydrophobicContact CD2-CD1 4.45Å; L40-F119 HydrophobicContact CD2-CE1 3.99Å; L40-F119 HydrophobicContact CD2-CE2 3.98Å; L40-F119 HydrophobicContact CD2-CZ 3.58Å |
| 41 | Q | 97.3 | Very high | 95.2 | Very high | 4 Ų | 4 | 8.7 Ų | 8.7 | 2% | 0.019 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -64.5 | -40.7 | 175.5 | -71.2 | -71.1 | 8.4 | 0 | 0 | 112.2 | G25 L27 N37 A38 S44 N45 T420 F433 | G25-Q41 PolarHBondContact O-NE2 2.67Å; L27-Q41 HydrophobicContact CD1-CG 4.03Å; N37-Q41 WeakPolarHBondContact O-CB 3.23Å; N37-Q41 WeakPolarHBondContact O-CG 3.18Å; N37-Q41 PolarHBondContact O-N 3.46Å; A38-Q41 PolarHBondContact O-N 3.27Å; Q41-S44 PolarHBondContact O-N 3.07Å; Q41-N45 PolarHBondContact O-N 2.95Å; Q41-N45 PolarHBondContact O-ND2 3.23Å; Q41-T420 HydrophobicContact CB-CG2 4.13Å; Q41-F433 HydrophobicContact CB-CB 4.28Å; Q41-F433 HydrophobicContact CB-CG 4.41Å; Q41-F433 VanDerWaalsContact CD-CD1 3.41Å; Q41-F433 HydrophobicContact CG-CB 3.91Å; Q41-F433 HydrophobicContact CG-CD1 4.21Å; Q41-F433 HydrophobicContact CG-CG 4.19Å |
| 42 | A | 97.8 | Very high | 95.3 | Very high | 1 Ų | 1 | 8.9 Ų | 8.9 | 1% | 0.008 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -66 | -42.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | A38 A39 N45 C46 I407 T420 F457 | A38-A42 WeakPolarHBondContact O-CB 3.48Å; A38-A42 PolarHBondContact O-N 3.49Å; A39-A42 PolarHBondContact O-N 3.5Å; A42-N45 PolarHBondContact O-N 2.62Å; A42-C46 PolarHBondContact O-SG 2.94Å; A42-I407 HydrophobicContact CB-CD1 3.96Å; A42-I407 HydrophobicContact CB-CG1 3.9Å; A42-T420 HydrophobicContact CB-CG2 4.03Å; A42-F457 HydrophobicContact CB-CD2 3.98Å; A42-F457 HydrophobicContact CB-CE1 4.46Å; A42-F457 HydrophobicContact CB-CE2 3.52Å; A42-F457 HydrophobicContact CB-CZ 3.78Å |
| 43 | L | 97.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 5.8 Ų | 5.8 | 0% | 0 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -67.3 | -38.2 | 175 | -70.2 | 178.5 | 0 | 0 | 0 | 112.7 | A39 L40 N45 C46 L49 Y72 L116 F119 L120 F161 F457 | A39-L43 WeakPolarHBondContact O-CG 3.16Å; A39-L43 PolarHBondContact O-N 2.86Å; L40-L43 PolarHBondContact O-N 3.23Å; L43-N45 PolarHBondContact O-N 2.97Å; L43-C46 VanDerWaalsContact O-CB 3.29Å; L43-C46 WeakPolarHBondContact O-CB 3.5Å; L43-C46 PolarHBondContact O-N 3.46Å; L43-L49 HydrophobicContact CB-CD2 4.17Å; L43-L49 HydrophobicContact CD2-CD2 4.21Å; L43-Y72 VanDerWaalsContact C-OH 3.31Å; L43-Y72 WeakPolarHBondContact CB-OH 3.17Å; L43-L116 HydrophobicContact CD1-CD1 3.83Å; L43-L116 HydrophobicContact CD2-CD1 3.8Å; L43-L116 HydrophobicContact CG-CD1 3.76Å; L43-F119 HydrophobicContact CD1-CD1 3.57Å; L43-F119 HydrophobicContact CD1-CE1 3.7Å; L43-L120 HydrophobicContact CD1-CD2 4.26Å; L43-L120 HydrophobicContact CD2-CD1 4.49Å; L43-L120 HydrophobicContact CD2-CD2 3.95Å; L43-L120 HydrophobicContact CD2-CG 4.49Å; L43-F161 HydrophobicContact CD2-CE1 4.2Å; L43-F161 HydrophobicContact CD2-CE2 4.33Å; L43-F161 HydrophobicContact CD2-CZ 3.61Å; L43-F457 HydrophobicContact CD2-CE1 4.3Å |
| 44 | S | 95.7 | Very high | 95.1 | Very high | 1 Ų | 1 | 6.9 Ų | 6.9 | 1% | 0.007 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -62.3 | -31.3 | 176 | 178.6 | 0 | 0 | 0 | 0 | 112.9 | L40 Q41 C46 T50 Y72 F79 W80 | L40-S44 VanDerWaalsContact O-CB 3.26Å; L40-S44 WeakPolarHBondContact O-CB 3.43Å; L40-S44 PolarHBondContact O-N 3.43Å; Q41-S44 PolarHBondContact O-N 3.07Å; S44-C46 VanDerWaalsContact C-N 3.3Å; S44-C46 PolarHBondContact O-N 3.43Å; S44-T50 PolarHBondContact O-OG1 2.94Å; S44-Y72 PolarHBondContact N-OH 3.07Å; S44-F79 VanDerWaalsContact OG-CD2 3.24Å; S44-F79 WeakPolarHBondContact OG-CD2 3.27Å; S44-W80 PolarHBondContact O-NE1 3.49Å; S44-W80 PolarHBondContact OG-NE1 2.98Å |
| 45 | N | 94.4 | Very high | 94.6 | Very high | 12 Ų | 12 | 8.1 Ų | 8.1 | 6% | 0.064 | 4% | 0.042 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | 7.5 | 174.8 | -74.1 | -89.6 | 0 | 0 | 0 | 113.6 | Q41 A42 L43 P47 A422 | Q41-N45 PolarHBondContact O-N 2.95Å; Q41-N45 PolarHBondContact O-ND2 3.23Å; A42-N45 PolarHBondContact O-N 2.62Å; L43-N45 PolarHBondContact O-N 2.97Å; N45-P47 VanDerWaalsContact O-CD 3.22Å; N45-P47 WeakPolarHBondContact O-CD 3.27Å; N45-A422 HydrophobicContact CB-CB 3.79Å |
| 46 | C | 95.7 | Very high | 94 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 4% | 0.042 | C | C | . | . | trans | -90.4 | 98.9 | 171.6 | -67.4 | 0 | 0 | 0 | 0 | 110.4 | A42 L43 S44 H48 L49 T50 F161 I355 | A42-C46 PolarHBondContact O-SG 2.94Å; L43-C46 VanDerWaalsContact O-CB 3.29Å; L43-C46 WeakPolarHBondContact O-CB 3.5Å; L43-C46 PolarHBondContact O-N 3.46Å; S44-C46 VanDerWaalsContact C-N 3.3Å; S44-C46 PolarHBondContact O-N 3.43Å; C46-H48 VanDerWaalsContact C-N 3.31Å; C46-H48 PolarHBondContact O-N 3.05Å; C46-H48 VanDerWaalsContact O-N 3.15Å; C46-L49 HydrophobicContact CB-CB 4.3Å; C46-L49 PolarHBondContact O-N 2.78Å; C46-T50 PolarHBondContact O-N 3.46Å; C46-T50 PolarHBondContact O-OG1 2.93Å; C46-F161 HydrophobicContact CB-CZ 4.4Å; C46-I355 HydrophobicContact CB-CG1 4.41Å | ||
| 47 | P | 91.8 | Very high | 93.3 | Very high | 32 Ų | 32 | 11 Ų | 11 | 21% | 0.208 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -61.8 | -34.1 | -165.9 | 23.2 | -34.8 | 0 | 0 | 0 | 114 | N45 L49 T50 E51 T493 | N45-P47 VanDerWaalsContact O-CD 3.22Å; N45-P47 WeakPolarHBondContact O-CD 3.27Å; P47-L49 VanDerWaalsContact C-N 3.27Å; P47-L49 PolarHBondContact O-N 3.15Å; P47-T50 PolarHBondContact O-N 3.16Å; P47-E51 WeakPolarHBondContact O-CB 3.49Å; P47-E51 WeakPolarHBondContact O-CG 3.4Å; P47-E51 PolarHBondContact O-N 3.19Å; P47-T493 HydrophobicContact CB-CG2 4.23Å |
| 48 | H | 91.7 | Very high | 92.4 | Very high | 1 Ų | 1 | 14.6 Ų | 14.6 | 1% | 0.005 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -60.1 | -36.3 | 176.7 | -46.7 | 75.3 | 0 | 0 | 0 | 112.9 | C46 V160 I355 T493 W494 | C46-H48 VanDerWaalsContact C-N 3.31Å; C46-H48 PolarHBondContact O-N 3.05Å; C46-H48 VanDerWaalsContact O-N 3.15Å; H48-V160 HydrophobicContact CB-CB 4.41Å; H48-V160 HydrophobicContact CB-CG1 3.87Å; H48-V160 HydrophobicContact CB-CG2 3.6Å; H48-I355 VanDerWaalsContact CE1-CD1 3.42Å; H48-I355 WeakPolarHBondContact CE1-CD1 3.46Å; H48-I355 VanDerWaalsContact ND1-CD1 3.34Å; H48-I355 WeakPolarHBondContact ND1-CD1 3.37Å; H48-T493 PolarHBondContact NE2-O 3.39Å; H48-W494 AromaticContact CD2-CD1 3.38Å; H48-W494 AromaticContact CD2-CG 3.82Å; H48-W494 AromaticContact CD2-NE1 3.82Å |
| 49 | L | 93.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -79.6 | -51.5 | 178.2 | -174.8 | 69.2 | 0 | 0 | 0 | 109.6 | L43 C46 P47 F52 F53 Y72 I157 F161 | L43-L49 HydrophobicContact CB-CD2 4.17Å; L43-L49 HydrophobicContact CD2-CD2 4.21Å; C46-L49 HydrophobicContact CB-CB 4.3Å; C46-L49 PolarHBondContact O-N 2.78Å; P47-L49 VanDerWaalsContact C-N 3.27Å; P47-L49 PolarHBondContact O-N 3.15Å; L49-F52 PolarHBondContact O-N 3.3Å; L49-F53 HydrophobicContact CD1-CD2 3.98Å; L49-F53 HydrophobicContact CD1-CE2 3.47Å; L49-F53 VanDerWaalsContact CD1-CE2 3.47Å; L49-F53 HydrophobicContact CD1-CZ 4.32Å; L49-F53 HydrophobicContact CG-CD2 4.23Å; L49-F53 HydrophobicContact CG-CE2 4.1Å; L49-F53 VanDerWaalsContact O-CD2 3.26Å; L49-F53 WeakPolarHBondContact O-CD2 3.44Å; L49-F53 PolarHBondContact O-N 2.98Å; L49-Y72 HydrophobicContact CD2-CE1 4.02Å; L49-I157 HydrophobicContact CD1-CD1 3.6Å; L49-F161 HydrophobicContact CD1-CE2 4.47Å; L49-F161 HydrophobicContact CD2-CE2 4.19Å; L49-F161 HydrophobicContact CD2-CZ 4.39Å |
| 50 | T | 94.3 | Very high | 90.5 | Very high | 2 Ų | 2 | 15.2 Ų | 15.2 | 1% | 0.012 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -61.5 | -48.7 | -175.3 | -60.1 | 0 | 0 | 0 | 0 | 112.5 | S44 C46 P47 F52 F53 L54 L76 W80 | S44-T50 PolarHBondContact O-OG1 2.94Å; C46-T50 PolarHBondContact O-N 3.46Å; C46-T50 PolarHBondContact O-OG1 2.93Å; P47-T50 PolarHBondContact O-N 3.16Å; T50-F52 VanDerWaalsContact C-N 3.31Å; T50-F52 PolarHBondContact O-N 2.92Å; T50-F53 PolarHBondContact O-N 3.36Å; T50-L54 HydrophobicContact CG2-CD1 3.79Å; T50-L54 HydrophobicContact CG2-CG 4.41Å; T50-L54 VanDerWaalsContact O-CG 3.3Å; T50-L54 WeakPolarHBondContact O-CG 3.46Å; T50-L54 PolarHBondContact O-N 3.23Å; T50-L76 HydrophobicContact CG2-CD2 4.18Å; T50-W80 HydrophobicContact CG2-CD2 4.33Å; T50-W80 HydrophobicContact CG2-CG 3.96Å |
| 51 | E | 90.9 | Very high | 89.3 | Confident | 19 Ų | 19 | 16.3 Ų | 16.3 | 9% | 0.089 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -66.7 | -31.3 | 178.6 | -69.8 | -109.5 | -175.1 | 0 | 0 | 112.1 | M1 L2 P47 E55 V489 T493 | M1-E51 PolarHBondContact N-OE1 2.93Å; M1-E51 PolarHBondContact N-OE2 3.3Å; L2-E51 HydrophobicContact CD1-CG 4.15Å; L2-E51 WeakPolarHBondContact CG-OE1 3.34Å; L2-E51 PolarHBondContact N-OE1 2.75Å; P47-E51 WeakPolarHBondContact O-CB 3.49Å; P47-E51 WeakPolarHBondContact O-CG 3.4Å; P47-E51 PolarHBondContact O-N 3.19Å; E51-E55 WeakPolarHBondContact O-CB 3.38Å; E51-E55 WeakPolarHBondContact O-CG 3.32Å; E51-E55 PolarHBondContact O-N 3.07Å; E51-V489 HydrophobicContact CB-CG1 3.96Å; E51-T493 HydrophobicContact CB-CG2 4.02Å; E51-T493 HydrophobicContact CG-CG2 3.95Å |
| 52 | F | 90.5 | Very high | 87.9 | Confident | 32 Ų | 32 | 20.5 Ų | 20.5 | 14% | 0.14 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65.8 | -44.1 | 172.1 | 179.2 | -87 | 0 | 0 | 0 | 111.9 | L49 T50 C56 I156 | L49-F52 PolarHBondContact O-N 3.3Å; T50-F52 VanDerWaalsContact C-N 3.31Å; T50-F52 PolarHBondContact O-N 2.92Å; F52-C56 HydrophobicContact CD2-CB 3.64Å; F52-C56 HydrophobicContact CE2-CB 3.73Å; F52-C56 HydrophobicContact CG-CB 4.07Å; F52-C56 HydrophobicContact CZ-CB 4.22Å; F52-C56 CarbonylContact O-C 3.47Å; F52-C56 VanDerWaalsContact O-CA 3.27Å; F52-C56 WeakPolarHBondContact O-CA 3.47Å; F52-C56 WeakPolarHBondContact O-CB 3.28Å; F52-C56 PolarHBondContact O-N 3.31Å; F52-I156 HydrophobicContact CB-CD1 3.85Å; F52-I156 HydrophobicContact CB-CG1 3.81Å; F52-I156 HydrophobicContact CD1-CB 3.83Å; F52-I156 HydrophobicContact CD1-CD1 4.32Å; F52-I156 HydrophobicContact CD1-CG1 3.67Å; F52-I156 HydrophobicContact CD1-CG2 3.78Å; F52-I156 HydrophobicContact CD2-CB 4.3Å; F52-I156 HydrophobicContact CD2-CD1 3.67Å; F52-I156 HydrophobicContact CD2-CG1 3.95Å; F52-I156 HydrophobicContact CE1-CB 3.85Å; F52-I156 HydrophobicContact CE1-CG1 4.22Å; F52-I156 HydrophobicContact CE1-CG2 3.72Å; F52-I156 HydrophobicContact CE2-CB 4.31Å; F52-I156 HydrophobicContact CE2-CD1 4.31Å; F52-I156 HydrophobicContact CE2-CG1 4.45Å; F52-I156 HydrophobicContact CG-CB 4.07Å; F52-I156 HydrophobicContact CG-CD1 3.68Å; F52-I156 HydrophobicContact CG-CG1 3.51Å; F52-I156 HydrophobicContact CG-CG2 4.49Å; F52-I156 HydrophobicContact CZ-CB 4.1Å; F52-I156 HydrophobicContact CZ-CG2 4.38Å |
| 53 | F | 92 | Very high | 86.5 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.7 | -43.7 | 178.9 | -85.5 | -119.7 | 0 | 0 | 0 | 111.1 | L49 T50 H57 F69 Y72 C73 L76 L123 L127 I156 | L49-F53 HydrophobicContact CD1-CD2 3.98Å; L49-F53 HydrophobicContact CD1-CE2 3.47Å; L49-F53 VanDerWaalsContact CD1-CE2 3.47Å; L49-F53 HydrophobicContact CD1-CZ 4.32Å; L49-F53 HydrophobicContact CG-CD2 4.23Å; L49-F53 HydrophobicContact CG-CE2 4.1Å; L49-F53 VanDerWaalsContact O-CD2 3.26Å; L49-F53 WeakPolarHBondContact O-CD2 3.44Å; L49-F53 PolarHBondContact O-N 2.98Å; T50-F53 PolarHBondContact O-N 3.36Å; F53-H57 WeakPolarHBondContact O-CB 3.35Å; F53-H57 PolarHBondContact O-ND1 2.82Å; F53-F69 AromaticContact CD1-CD2 3.84Å; F53-F69 HydrophobicContact CD1-CD2 3.84Å; F53-F69 AromaticContact CD1-CE2 3.39Å; F53-F69 HydrophobicContact CD1-CE2 3.39Å; F53-F69 HydrophobicContact CD1-CZ 4.24Å; F53-F69 HydrophobicContact CD2-CE2 4.43Å; F53-F69 AromaticContact CE1-CD2 3.19Å; F53-F69 HydrophobicContact CE1-CD2 3.19Å; F53-F69 AromaticContact CE1-CE2 3.25Å; F53-F69 HydrophobicContact CE1-CE2 3.25Å; F53-F69 HydrophobicContact CE1-CG 4.33Å; F53-F69 HydrophobicContact CE1-CZ 4.4Å; F53-F69 HydrophobicContact CE2-CE2 4.32Å; F53-F69 HydrophobicContact CG-CE2 4.01Å; F53-F69 AromaticContact CZ-CD2 3.62Å; F53-F69 HydrophobicContact CZ-CD2 3.62Å; F53-F69 AromaticContact CZ-CE2 3.78Å; F53-F69 HydrophobicContact CZ-CE2 3.78Å; F53-Y72 AromaticContact CD1-CD1 3.95Å; F53-Y72 HydrophobicContact CD1-CD1 3.95Å; F53-Y72 HydrophobicContact CD1-CE1 4.39Å; F53-Y72 AromaticContact CE1-CD1 3.47Å; F53-Y72 HydrophobicContact CE1-CD1 3.47Å; F53-Y72 VanDerWaalsContact CE1-CD1 3.47Å; F53-Y72 HydrophobicContact CE1-CE1 4.11Å; F53-Y72 HydrophobicContact CE1-CG 4.48Å; F53-Y72 AromaticContact CZ-CD1 3.98Å; F53-Y72 HydrophobicContact CZ-CD1 3.98Å; F53-Y72 HydrophobicContact CZ-CE1 4.34Å; F53-C73 HydrophobicContact CD1-CB 4.04Å; F53-L76 HydrophobicContact CB-CD1 3.55Å; F53-L76 HydrophobicContact CD1-CD1 3.87Å; F53-L76 HydrophobicContact CG-CD1 3.75Å; F53-L123 HydrophobicContact CZ-CD1 4.31Å; F53-L123 HydrophobicContact CZ-CD2 4.46Å; F53-L127 HydrophobicContact CE2-CD1 4.1Å; F53-L127 HydrophobicContact CZ-CD1 3.77Å; F53-I156 HydrophobicContact CE2-CG2 4.18Å |
| 54 | L | 90.7 | Very high | 85.4 | Confident | 26 Ų | 26 | 29.1 Ų | 29.1 | 14% | 0.136 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -68.6 | -46.5 | 179 | -63.6 | 172.1 | 0 | 0 | 0 | 112.5 | L2 T50 H57 L76 W80 | L2-L54 HydrophobicContact CD1-CD1 3.99Å; L2-L54 HydrophobicContact CD2-CD1 4.05Å; L2-L54 HydrophobicContact CG-CD1 4.47Å; T50-L54 HydrophobicContact CG2-CD1 3.79Å; T50-L54 HydrophobicContact CG2-CG 4.41Å; T50-L54 VanDerWaalsContact O-CG 3.3Å; T50-L54 WeakPolarHBondContact O-CG 3.46Å; T50-L54 PolarHBondContact O-N 3.23Å; L54-H57 PolarHBondContact O-CE1 2.94Å; L54-H57 PolarHBondContact O-ND1 3.49Å; L54-L76 HydrophobicContact CD2-CB 4.31Å; L54-W80 HydrophobicContact CD1-CB 3.78Å |
| 55 | E | 87.3 | Confident | 84.6 | Confident | 28 Ų | 28 | 38.5 Ų | 38.5 | 13% | 0.131 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -95.6 | -23.1 | -169.3 | -64.5 | -62.3 | 159.8 | 0 | 0 | 114.8 | M1 E51 K485 V489 | M1-E55 HydrophobicContact SD-CG 4.02Å; E51-E55 WeakPolarHBondContact O-CB 3.38Å; E51-E55 WeakPolarHBondContact O-CG 3.32Å; E51-E55 PolarHBondContact O-N 3.07Å; E55-K485 WeakPolarHBondContact O-CE 3.08Å; E55-K485 PolarHBondContact O-NZ 2.81Å; E55-K485 WeakPolarHBondContact OE2-CE 3.44Å; E55-K485 IonicContact OE2-NZ 3.9Å; E55-K485 PolarHBondContact OE2-NZ 3.25Å; E55-V489 HydrophobicContact CB-CG2 3.78Å; E55-V489 HydrophobicContact CG-CG2 4.21Å |
| 56 | C | 83.5 | Confident | 84.2 | Confident | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.007 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -124.3 | 7.2 | -166.2 | -67.1 | 0 | 0 | 0 | 0 | 114.3 | F52 N58 I59 | F52-C56 HydrophobicContact CD2-CB 3.64Å; F52-C56 HydrophobicContact CE2-CB 3.73Å; F52-C56 HydrophobicContact CG-CB 4.07Å; F52-C56 HydrophobicContact CZ-CB 4.22Å; F52-C56 CarbonylContact O-C 3.47Å; F52-C56 VanDerWaalsContact O-CA 3.27Å; F52-C56 WeakPolarHBondContact O-CA 3.47Å; F52-C56 WeakPolarHBondContact O-CB 3.28Å; F52-C56 PolarHBondContact O-N 3.31Å; C56-N58 VanDerWaalsContact C-N 3.27Å; C56-N58 PolarHBondContact O-N 3.21Å; C56-I59 HydrophobicContact CB-CD1 3.9Å; C56-I59 VanDerWaalsContact O-CB 3.29Å; C56-I59 WeakPolarHBondContact O-CB 3.31Å; C56-I59 PolarHBondContact O-N 3.12Å |
| 57 | H | 82.2 | Confident | 83.9 | Confident | 64 Ų | 64 | 40.7 Ų | 40.7 | 30% | 0.296 | 21% | 0.206 | S | C | . | . | G | 310 helix | trans | -57.3 | -35.8 | 179 | 55 | -92.7 | 0 | 0 | 0 | 113.9 | F53 L54 I59 L60 F69 | F53-H57 WeakPolarHBondContact O-CB 3.35Å; F53-H57 PolarHBondContact O-ND1 2.82Å; L54-H57 PolarHBondContact O-CE1 2.94Å; L54-H57 PolarHBondContact O-ND1 3.49Å; H57-I59 PolarHBondContact O-N 2.9Å; H57-L60 WeakPolarHBondContact O-CB 3.48Å; H57-L60 WeakPolarHBondContact O-CG 3.41Å; H57-L60 PolarHBondContact O-N 3.05Å; H57-L60 VanDerWaalsContact O-N 3.08Å; H57-F69 HydrophobicContact CB-CE1 4.31Å; H57-F69 HydrophobicContact CB-CZ 3.68Å |
| 58 | N | 79.4 | Confident | 84 | Confident | 81 Ų | 81 | 39.2 Ų | 39.2 | 43% | 0.433 | 20% | 0.196 | S | C | . | . | G | 310 helix | trans | -61.1 | -11 | -179.7 | -70 | -29.6 | 0 | 0 | 0 | 114.8 | C56 L60 M518 | C56-N58 VanDerWaalsContact C-N 3.27Å; C56-N58 PolarHBondContact O-N 3.21Å; N58-L60 VanDerWaalsContact C-N 3.35Å; N58-M518 WeakPolarHBondContact O-CE 3.18Å |
| 59 | I | 78.3 | Confident | 84.1 | Confident | 5 Ų | 5 | 39.5 Ų | 39.5 | 3% | 0.026 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -79.3 | -23.8 | 179.2 | -68.1 | 171.6 | 0 | 0 | 0 | 112.2 | C56 H57 S130 R131 L132 P486 L522 | C56-I59 HydrophobicContact CB-CD1 3.9Å; C56-I59 VanDerWaalsContact O-CB 3.29Å; C56-I59 WeakPolarHBondContact O-CB 3.31Å; C56-I59 PolarHBondContact O-N 3.12Å; H57-I59 PolarHBondContact O-N 2.9Å; I59-S130 VanDerWaalsContact CG2-OG 3.26Å; I59-S130 WeakPolarHBondContact CG2-OG 3.36Å; I59-R131 PolarHBondContact O-N 3.31Å; I59-L132 HydrophobicContact CG2-CD1 3.44Å; I59-L132 VanDerWaalsContact CG2-CD1 3.44Å; I59-L132 HydrophobicContact CG2-CG 3.77Å; I59-P486 HydrophobicContact CD1-CB 4.46Å; I59-P486 HydrophobicContact CD1-CG 3.25Å; I59-L522 HydrophobicContact CD1-CD2 3.91Å; I59-L522 HydrophobicContact CG1-CD2 3.53Å |
| 60 | L | 78.2 | Confident | 84 | Confident | 10 Ų | 10 | 43.9 Ų | 43.9 | 5% | 0.052 | 22% | 0.22 | C | C | . | . | B | Isolated β-bridge | trans | -70.7 | 151.5 | 179.7 | -55 | 173.9 | 0 | 0 | 0 | 109.9 | H57 N58 P62 L66 F69 L127 | H57-L60 WeakPolarHBondContact O-CB 3.48Å; H57-L60 WeakPolarHBondContact O-CG 3.41Å; H57-L60 PolarHBondContact O-N 3.05Å; H57-L60 VanDerWaalsContact O-N 3.08Å; N58-L60 VanDerWaalsContact C-N 3.35Å; L60-P62 VanDerWaalsContact O-CD 3.29Å; L60-P62 WeakPolarHBondContact O-CD 3.4Å; L60-L66 HydrophobicContact CB-CD1 3.72Å; L60-L66 HydrophobicContact CD1-CD1 4.26Å; L60-F69 HydrophobicContact CD1-CD1 3.96Å; L60-F69 HydrophobicContact CD1-CD2 3.9Å; L60-F69 HydrophobicContact CD1-CE1 3.54Å; L60-F69 HydrophobicContact CD1-CE2 3.45Å; L60-F69 VanDerWaalsContact CD1-CE2 3.45Å; L60-F69 HydrophobicContact CD1-CG 4.14Å; L60-F69 HydrophobicContact CD1-CZ 3.29Å; L60-L127 HydrophobicContact CD1-CD2 3.36Å; L60-L127 HydrophobicContact CD2-CD2 3.58Å; L60-L127 HydrophobicContact CG-CD2 4.1Å |
| 61 | D | 71.6 | Confident | 84 | Confident | 23 Ų | 23 | 46.9 Ų | 46.9 | 12% | 0.123 | 23% | 0.234 | C | C | . | . | trans | -80 | 113.9 | -179.1 | 177.4 | 16.5 | 0 | 0 | 0 | 110.8 | T63 R64 R131 | D61-T63 VanDerWaalsContact CG-OG1 3.27Å; D61-T63 PolarHBondContact O-N 2.91Å; D61-T63 WeakPolarHBondContact OD1-CG2 3.48Å; D61-T63 PolarHBondContact OD1-N 3.14Å; D61-T63 PolarHBondContact OD1-OG1 2.87Å; D61-T63 PolarHBondContact OD2-OG1 3.21Å; D61-R64 HydrophobicContact CB-CG 4.04Å; D61-R64 WeakPolarHBondContact O-CB 3.41Å; D61-R64 PolarHBondContact O-N 2.99Å; D61-R64 VanDerWaalsContact O-N 3.07Å; D61-R131 HydrophobicContact CB-CG 3.95Å; D61-R131 IonicContact OD1-NE 3.29Å | ||
| 62 | P | 68.7 | Low | 84.2 | Confident | 92 Ų | 92 | 46 Ų | 46 | 60% | 0.597 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -11.8 | -179.7 | 32 | -37.3 | 0 | 0 | 0 | 113.2 | L60 R64 R131 | L60-P62 VanDerWaalsContact O-CD 3.29Å; L60-P62 WeakPolarHBondContact O-CD 3.4Å; P62-R64 PolarHBondContact O-N 2.88Å; P62-R131 VanDerWaalsContact CD-CZ 3.42Å; P62-R131 VanDerWaalsContact CD-NH2 3.26Å |
| 63 | T | 67.5 | Low | 84.3 | Confident | 119 Ų | 119 | 45 Ų | 45 | 73% | 0.73 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -18.4 | 171.6 | 80.7 | 0 | 0 | 0 | 0 | 112.2 | D61 | D61-T63 VanDerWaalsContact CG-OG1 3.27Å; D61-T63 PolarHBondContact O-N 2.91Å; D61-T63 WeakPolarHBondContact OD1-CG2 3.48Å; D61-T63 PolarHBondContact OD1-N 3.14Å; D61-T63 PolarHBondContact OD1-OG1 2.87Å; D61-T63 PolarHBondContact OD2-OG1 3.21Å |
| 64 | R | 75 | Confident | 84.3 | Confident | 63 Ų | 63 | 49 Ų | 49 | 24% | 0.238 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -82 | 149 | 179.7 | -63.6 | -175 | 67.7 | -135.8 | -10 | 111.6 | D61 P62 L66 E125 E126 H129 | D61-R64 HydrophobicContact CB-CG 4.04Å; D61-R64 WeakPolarHBondContact O-CB 3.41Å; D61-R64 PolarHBondContact O-N 2.99Å; D61-R64 VanDerWaalsContact O-N 3.07Å; P62-R64 PolarHBondContact O-N 2.88Å; R64-L66 VanDerWaalsContact C-N 3.34Å; R64-L66 HydrophobicContact CB-CD2 4.07Å; R64-L66 HydrophobicContact CB-CG 4.11Å; R64-L66 PolarHBondContact O-N 2.85Å; R64-E125 PolarHBondContact NH2-O 3.32Å; R64-E126 VanDerWaalsContact CZ-O 3.24Å; R64-E126 PolarHBondContact NH1-O 3.27Å; R64-E126 PolarHBondContact NH2-O 3.2Å; R64-H129 VanDerWaalsContact NH1-N 3.17Å; R64-H129 PolarHBondContact NH1-O 3.43Å |
| 65 | R | 79.3 | Confident | 84.4 | Confident | 199 Ų | 199 | 48.2 Ų | 48.2 | 75% | 0.751 | 25% | 0.247 | S | C | * | . | trans | -76.9 | 80.9 | 176.2 | -174.5 | 174.1 | 177.4 | 167.7 | 2.2 | 110.9 | V67 | R65-V67 HydrophobicContact CG-CG2 3.55Å; R65-V67 PolarHBondContact O-N 3.13Å | ||
| 66 | L | 85.2 | Confident | 84.7 | Confident | 12 Ų | 12 | 46.9 Ų | 46.9 | 6% | 0.063 | 24% | 0.241 | C | C | . | . | trans | -92.8 | 49.9 | -177.2 | -58 | 178.9 | 0 | 0 | 0 | 112.5 | L60 R64 F69 N70 E126 | L60-L66 HydrophobicContact CB-CD1 3.72Å; L60-L66 HydrophobicContact CD1-CD1 4.26Å; R64-L66 VanDerWaalsContact C-N 3.34Å; R64-L66 HydrophobicContact CB-CD2 4.07Å; R64-L66 HydrophobicContact CB-CG 4.11Å; R64-L66 PolarHBondContact O-N 2.85Å; L66-F69 HydrophobicContact CB-CB 4.08Å; L66-F69 HydrophobicContact CB-CD1 3.94Å; L66-F69 HydrophobicContact CB-CG 4.37Å; L66-F69 HydrophobicContact CD1-CD1 4.34Å; L66-N70 WeakPolarHBondContact O-CB 3.23Å; L66-N70 PolarHBondContact O-N 3.04Å; L66-N70 PolarHBondContact O-ND2 2.84Å; L66-N70 PolarHBondContact O-OD1 2.73Å; L66-E126 WeakPolarHBondContact CA-OE2 3.34Å; L66-E126 HydrophobicContact CD2-CB 4.09Å; L66-E126 WeakPolarHBondContact CD2-O 3.45Å | ||
| 67 | V | 90.3 | Very high | 85 | Confident | 46 Ų | 46 | 49.3 Ų | 49.3 | 28% | 0.279 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -75.2 | -42.9 | -166.5 | -173.8 | 0 | 0 | 0 | 0 | 112.6 | R65 H71 T96 E126 | R65-V67 HydrophobicContact CG-CG2 3.55Å; R65-V67 PolarHBondContact O-N 3.13Å; V67-H71 PolarHBondContact O-N 2.85Å; V67-H71 PolarHBondContact O-ND1 2.88Å; V67-T96 HydrophobicContact CB-CG2 4.16Å; V67-T96 HydrophobicContact CG1-CG2 3.66Å; V67-E126 PolarHBondContact N-OE2 3.01Å; V67-E126 VanDerWaalsContact N-OE2 3.17Å |
| 68 | L | 93.7 | Very high | 85.3 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -70.6 | -39.8 | 176 | -171.2 | 68.7 | 0 | 0 | 0 | 110.2 | N70 Y72 I93 T96 F97 F119 Q122 L123 E126 | L68-N70 PolarHBondContact O-N 3.15Å; L68-Y72 WeakPolarHBondContact O-CB 3.38Å; L68-Y72 PolarHBondContact O-N 2.86Å; L68-I93 HydrophobicContact CD1-CG2 3.98Å; L68-T96 HydrophobicContact CB-CG2 4.21Å; L68-T96 HydrophobicContact CD1-CG2 4.14Å; L68-F97 HydrophobicContact CD1-CB 4.3Å; L68-F97 HydrophobicContact CD2-CD2 4.23Å; L68-F119 HydrophobicContact CD1-CD2 4.44Å; L68-F119 HydrophobicContact CD1-CE2 3.89Å; L68-F119 HydrophobicContact CD2-CD2 3.92Å; L68-F119 HydrophobicContact CD2-CE2 3.87Å; L68-F119 HydrophobicContact CG-CE2 4.03Å; L68-Q122 HydrophobicContact CB-CG 4.26Å; L68-Q122 HydrophobicContact CD2-CB 3.73Å; L68-Q122 HydrophobicContact CD2-CG 3.45Å; L68-Q122 VanDerWaalsContact CD2-CG 3.45Å; L68-Q122 HydrophobicContact CG-CG 4.48Å; L68-L123 HydrophobicContact CB-CD2 4.39Å; L68-L123 HydrophobicContact CD2-CD2 4.14Å; L68-L123 HydrophobicContact CD2-CG 4.17Å; L68-L123 HydrophobicContact CG-CD2 4.11Å; L68-E126 VanDerWaalsContact CB-OE1 3.32Å; L68-E126 WeakPolarHBondContact CB-OE1 3.38Å; L68-E126 PolarHBondContact N-OE1 3.43Å; L68-E126 PolarHBondContact N-OE2 3.37Å |
| 69 | F | 93 | Very high | 85.7 | Confident | 7 Ų | 7 | 45.2 Ų | 45.2 | 3% | 0.031 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -53.8 | -51.9 | 173.9 | 167.8 | -94.3 | 0 | 0 | 0 | 112 | F53 H57 L60 L66 H71 Y72 C73 L123 E126 L127 | F53-F69 AromaticContact CD1-CD2 3.84Å; F53-F69 HydrophobicContact CD1-CD2 3.84Å; F53-F69 AromaticContact CD1-CE2 3.39Å; F53-F69 HydrophobicContact CD1-CE2 3.39Å; F53-F69 HydrophobicContact CD1-CZ 4.24Å; F53-F69 HydrophobicContact CD2-CE2 4.43Å; F53-F69 AromaticContact CE1-CD2 3.19Å; F53-F69 HydrophobicContact CE1-CD2 3.19Å; F53-F69 AromaticContact CE1-CE2 3.25Å; F53-F69 HydrophobicContact CE1-CE2 3.25Å; F53-F69 HydrophobicContact CE1-CG 4.33Å; F53-F69 HydrophobicContact CE1-CZ 4.4Å; F53-F69 HydrophobicContact CE2-CE2 4.32Å; F53-F69 HydrophobicContact CG-CE2 4.01Å; F53-F69 AromaticContact CZ-CD2 3.62Å; F53-F69 HydrophobicContact CZ-CD2 3.62Å; F53-F69 AromaticContact CZ-CE2 3.78Å; F53-F69 HydrophobicContact CZ-CE2 3.78Å; H57-F69 HydrophobicContact CB-CE1 4.31Å; H57-F69 HydrophobicContact CB-CZ 3.68Å; L60-F69 HydrophobicContact CD1-CD1 3.96Å; L60-F69 HydrophobicContact CD1-CD2 3.9Å; L60-F69 HydrophobicContact CD1-CE1 3.54Å; L60-F69 HydrophobicContact CD1-CE2 3.45Å; L60-F69 VanDerWaalsContact CD1-CE2 3.45Å; L60-F69 HydrophobicContact CD1-CG 4.14Å; L60-F69 HydrophobicContact CD1-CZ 3.29Å; L66-F69 HydrophobicContact CB-CB 4.08Å; L66-F69 HydrophobicContact CB-CD1 3.94Å; L66-F69 HydrophobicContact CB-CG 4.37Å; L66-F69 HydrophobicContact CD1-CD1 4.34Å; F69-H71 PolarHBondContact O-N 3.39Å; F69-Y72 PolarHBondContact O-N 3.43Å; F69-C73 HydrophobicContact CE1-CB 4.23Å; F69-C73 HydrophobicContact CE2-CB 4.41Å; F69-C73 HydrophobicContact CZ-CB 4.01Å; F69-C73 VanDerWaalsContact O-CB 3.31Å; F69-C73 WeakPolarHBondContact O-CB 3.34Å; F69-C73 PolarHBondContact O-N 3.13Å; F69-L123 HydrophobicContact CB-CD2 4.3Å; F69-E126 PolarHBondContact N-OE2 2.87Å; F69-L127 HydrophobicContact CB-CD2 4.48Å; F69-L127 HydrophobicContact CD2-CD1 4.1Å; F69-L127 HydrophobicContact CD2-CD2 3.63Å; F69-L127 HydrophobicContact CD2-CG 4.35Å; F69-L127 HydrophobicContact CE2-CD2 4.16Å; F69-L127 HydrophobicContact CG-CD2 4.07Å |
| 70 | N | 92.2 | Very high | 86.2 | Confident | 91 Ų | 91 | 46 Ų | 46 | 49% | 0.487 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -59.3 | -49.1 | -176.5 | -76.3 | -14.6 | 0 | 0 | 0 | 111.8 | L66 L68 Y72 C73 T74 | L66-N70 WeakPolarHBondContact O-CB 3.23Å; L66-N70 PolarHBondContact O-N 3.04Å; L66-N70 PolarHBondContact O-ND2 2.84Å; L66-N70 PolarHBondContact O-OD1 2.73Å; L68-N70 PolarHBondContact O-N 3.15Å; N70-Y72 VanDerWaalsContact C-N 3.34Å; N70-Y72 PolarHBondContact O-N 3.02Å; N70-C73 WeakPolarHBondContact O-CB 3.34Å; N70-C73 PolarHBondContact O-N 3.13Å; N70-T74 PolarHBondContact O-N 3.42Å; N70-T74 PolarHBondContact O-OG1 3.34Å; N70-T74 VanDerWaalsContact O-OG1 3.13Å |
| 71 | H | 94.3 | Very high | 86.4 | Confident | 65 Ų | 65 | 46.4 Ų | 46.4 | 30% | 0.301 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -64.1 | -37.3 | 179.4 | -66.2 | 104.2 | 0 | 0 | 0 | 112.9 | V67 F69 L75 A92 I93 T96 | V67-H71 PolarHBondContact O-N 2.85Å; V67-H71 PolarHBondContact O-ND1 2.88Å; F69-H71 PolarHBondContact O-N 3.39Å; H71-L75 PolarHBondContact O-N 2.89Å; H71-L75 VanDerWaalsContact O-N 3.09Å; H71-A92 WeakPolarHBondContact CD2-CB 3.26Å; H71-I93 HydrophobicContact CB-CG1 3.68Å; H71-T96 PolarHBondContact CE1-OG1 2.98Å; H71-T96 PolarHBondContact ND1-OG1 3.06Å |
| 72 | Y | 95.4 | Very high | 86.6 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -71.8 | -35.1 | 175.2 | -173.8 | -119.7 | 0 | 0 | 0 | 111.9 | L40 L43 S44 L49 F53 L68 F69 N70 L75 L76 I93 F119 L123 | L40-Y72 HydrophobicContact CD2-CD2 3.89Å; L40-Y72 HydrophobicContact CD2-CE2 3.85Å; L43-Y72 VanDerWaalsContact C-OH 3.31Å; L43-Y72 WeakPolarHBondContact CB-OH 3.17Å; S44-Y72 PolarHBondContact N-OH 3.07Å; L49-Y72 HydrophobicContact CD2-CE1 4.02Å; F53-Y72 AromaticContact CD1-CD1 3.95Å; F53-Y72 HydrophobicContact CD1-CD1 3.95Å; F53-Y72 HydrophobicContact CD1-CE1 4.39Å; F53-Y72 AromaticContact CE1-CD1 3.47Å; F53-Y72 HydrophobicContact CE1-CD1 3.47Å; F53-Y72 VanDerWaalsContact CE1-CD1 3.47Å; F53-Y72 HydrophobicContact CE1-CE1 4.11Å; F53-Y72 HydrophobicContact CE1-CG 4.48Å; F53-Y72 AromaticContact CZ-CD1 3.98Å; F53-Y72 HydrophobicContact CZ-CD1 3.98Å; F53-Y72 HydrophobicContact CZ-CE1 4.34Å; L68-Y72 WeakPolarHBondContact O-CB 3.38Å; L68-Y72 PolarHBondContact O-N 2.86Å; F69-Y72 PolarHBondContact O-N 3.43Å; N70-Y72 VanDerWaalsContact C-N 3.34Å; N70-Y72 PolarHBondContact O-N 3.02Å; Y72-L75 HydrophobicContact CD2-CD2 4.37Å; Y72-L75 PolarHBondContact O-N 2.87Å; Y72-L76 HydrophobicContact CD1-CD1 4.09Å; Y72-L76 HydrophobicContact CE1-CD1 3.6Å; Y72-L76 HydrophobicContact CE1-CG 4.18Å; Y72-L76 HydrophobicContact CE2-CD2 4.32Å; Y72-L76 HydrophobicContact CE2-CG 4.31Å; Y72-L76 WeakPolarHBondContact O-CG 3.35Å; Y72-L76 PolarHBondContact O-N 3.38Å; Y72-I93 HydrophobicContact CD2-CD1 4.31Å; Y72-F119 HydrophobicContact CD1-CE1 4.38Å; Y72-F119 HydrophobicContact CD1-CZ 4.39Å; Y72-F119 HydrophobicContact CD2-CE1 4.2Å; Y72-F119 AromaticContact CD2-CZ 3.79Å; Y72-F119 HydrophobicContact CD2-CZ 3.79Å; Y72-F119 HydrophobicContact CE2-CE1 4.35Å; Y72-F119 HydrophobicContact CE2-CZ 4.33Å; Y72-F119 HydrophobicContact CG-CE1 4.25Å; Y72-F119 AromaticContact CG-CZ 3.84Å; Y72-F119 HydrophobicContact CG-CZ 3.84Å; Y72-L123 HydrophobicContact CD1-CD1 3.94Å; Y72-L123 HydrophobicContact CE1-CD1 4.33Å |
| 73 | C | 93.2 | Very high | 86.6 | Confident | 13 Ų | 13 | 55 Ų | 55 | 9% | 0.088 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.1 | -45.9 | 173 | -164.6 | 0 | 0 | 0 | 0 | 111.3 | F53 F69 N70 L75 L76 S77 | F53-C73 HydrophobicContact CD1-CB 4.04Å; F69-C73 HydrophobicContact CE1-CB 4.23Å; F69-C73 HydrophobicContact CE2-CB 4.41Å; F69-C73 HydrophobicContact CZ-CB 4.01Å; F69-C73 VanDerWaalsContact O-CB 3.31Å; F69-C73 WeakPolarHBondContact O-CB 3.34Å; F69-C73 PolarHBondContact O-N 3.13Å; N70-C73 WeakPolarHBondContact O-CB 3.34Å; N70-C73 PolarHBondContact O-N 3.13Å; C73-L75 VanDerWaalsContact C-N 3.34Å; C73-L75 PolarHBondContact O-N 2.94Å; C73-L76 PolarHBondContact O-N 2.92Å; C73-L76 VanDerWaalsContact O-N 3.14Å; C73-S77 PolarHBondContact O-N 2.86Å; C73-S77 PolarHBondContact O-OG 3.29Å |
| 74 | T | 92.1 | Very high | 86.9 | Confident | 82 Ų | 82 | 52.8 Ų | 52.8 | 50% | 0.503 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -54.8 | -49.7 | 171.9 | -57.1 | 0 | 0 | 0 | 0 | 110.8 | N70 L76 S77 E78 | N70-T74 PolarHBondContact O-N 3.42Å; N70-T74 PolarHBondContact O-OG1 3.34Å; N70-T74 VanDerWaalsContact O-OG1 3.13Å; T74-L76 VanDerWaalsContact C-N 3.26Å; T74-L76 PolarHBondContact O-N 3.39Å; T74-S77 PolarHBondContact O-N 2.86Å; T74-E78 HydrophobicContact CG2-CG 4.33Å; T74-E78 VanDerWaalsContact O-CB 3.31Å; T74-E78 WeakPolarHBondContact O-CB 3.36Å; T74-E78 VanDerWaalsContact O-CG 3.26Å; T74-E78 WeakPolarHBondContact O-CG 3.49Å; T74-E78 PolarHBondContact O-N 3.29Å |
| 75 | L | 93.1 | Very high | 87 | Confident | 10 Ų | 10 | 52.3 Ų | 52.3 | 5% | 0.052 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.4 | -36.2 | 178.3 | -178.4 | 64.7 | 0 | 0 | 0 | 113.2 | L27 L40 H71 Y72 C73 F79 F88 I93 | L27-L75 HydrophobicContact CD2-CD1 3.96Å; L27-L75 HydrophobicContact CD2-CD2 4.44Å; L40-L75 HydrophobicContact CB-CD2 4.38Å; L40-L75 HydrophobicContact CD1-CD2 4.09Å; H71-L75 PolarHBondContact O-N 2.89Å; H71-L75 VanDerWaalsContact O-N 3.09Å; Y72-L75 HydrophobicContact CD2-CD2 4.37Å; Y72-L75 PolarHBondContact O-N 2.87Å; C73-L75 VanDerWaalsContact C-N 3.34Å; C73-L75 PolarHBondContact O-N 2.94Å; L75-F79 HydrophobicContact CD1-CD2 4.19Å; L75-F79 HydrophobicContact CD1-CE1 4.17Å; L75-F79 HydrophobicContact CD1-CE2 3.77Å; L75-F79 HydrophobicContact CD1-CZ 3.76Å; L75-F79 HydrophobicContact CD2-CE2 3.89Å; L75-F79 HydrophobicContact CD2-CZ 4.38Å; L75-F79 HydrophobicContact CG-CD2 3.93Å; L75-F79 HydrophobicContact CG-CE2 3.62Å; L75-F79 HydrophobicContact CG-CZ 4.14Å; L75-F79 WeakPolarHBondContact O-CD2 3.21Å; L75-F79 WeakPolarHBondContact O-CG 3.46Å; L75-F79 PolarHBondContact O-N 3.36Å; L75-F88 HydrophobicContact CD1-CB 4.21Å; L75-F88 HydrophobicContact CD1-CG 4.42Å; L75-I93 HydrophobicContact CB-CD1 4.12Å; L75-I93 HydrophobicContact CD2-CD1 3.67Å |
| 76 | L | 92.8 | Very high | 87 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -72.7 | -43.1 | 176.1 | -68.2 | 176.6 | 0 | 0 | 0 | 112.5 | T50 F53 L54 Y72 C73 T74 E78 F79 W80 | T50-L76 HydrophobicContact CG2-CD2 4.18Å; F53-L76 HydrophobicContact CB-CD1 3.55Å; F53-L76 HydrophobicContact CD1-CD1 3.87Å; F53-L76 HydrophobicContact CG-CD1 3.75Å; L54-L76 HydrophobicContact CD2-CB 4.31Å; Y72-L76 HydrophobicContact CD1-CD1 4.09Å; Y72-L76 HydrophobicContact CE1-CD1 3.6Å; Y72-L76 HydrophobicContact CE1-CG 4.18Å; Y72-L76 HydrophobicContact CE2-CD2 4.32Å; Y72-L76 HydrophobicContact CE2-CG 4.31Å; Y72-L76 WeakPolarHBondContact O-CG 3.35Å; Y72-L76 PolarHBondContact O-N 3.38Å; C73-L76 PolarHBondContact O-N 2.92Å; C73-L76 VanDerWaalsContact O-N 3.14Å; T74-L76 VanDerWaalsContact C-N 3.26Å; T74-L76 PolarHBondContact O-N 3.39Å; L76-E78 PolarHBondContact O-N 2.91Å; L76-F79 PolarHBondContact O-N 3.4Å; L76-W80 WeakPolarHBondContact O-CB 3.44Å; L76-W80 PolarHBondContact O-N 3.47Å |
| 77 | S | 89.9 | Confident | 87 | Confident | 53 Ų | 53 | 52.2 Ų | 52.2 | 37% | 0.371 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -60.1 | -30.6 | 173.4 | -64.7 | 0 | 0 | 0 | 0 | 112.2 | C73 T74 G81 | C73-S77 PolarHBondContact O-N 2.86Å; C73-S77 PolarHBondContact O-OG 3.29Å; T74-S77 PolarHBondContact O-N 2.86Å; S77-G81 WeakPolarHBondContact O-CA 3.44Å; S77-G81 PolarHBondContact O-N 2.86Å |
| 78 | E | 87.9 | Confident | 86.9 | Confident | 55 Ų | 55 | 51.2 Ų | 51.2 | 26% | 0.257 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -75.1 | -47.8 | 175.2 | -81.1 | -57.2 | 164.4 | 0 | 0 | 113.1 | T74 L76 F88 | T74-E78 HydrophobicContact CG2-CG 4.33Å; T74-E78 VanDerWaalsContact O-CB 3.31Å; T74-E78 WeakPolarHBondContact O-CB 3.36Å; T74-E78 VanDerWaalsContact O-CG 3.26Å; T74-E78 WeakPolarHBondContact O-CG 3.49Å; T74-E78 PolarHBondContact O-N 3.29Å; L76-E78 PolarHBondContact O-N 2.91Å; E78-F88 HydrophobicContact CB-CD1 4.02Å; E78-F88 HydrophobicContact CB-CE1 3.38Å; E78-F88 HydrophobicContact CB-CZ 3.77Å; E78-F88 HydrophobicContact CG-CD1 4.3Å; E78-F88 HydrophobicContact CG-CE1 3.82Å; E78-F88 WeakPolarHBondContact OE2-CE1 3.49Å |
| 79 | F | 88.8 | Confident | 86.6 | Confident | 4 Ų | 4 | 55.5 Ų | 55.5 | 2% | 0.018 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.9 | -37.6 | 176.7 | -75.7 | -35 | 0 | 0 | 0 | 113.6 | G23 G25 L27 S44 L75 L76 F88 | G23-F79 WeakPolarHBondContact CA-O 3.33Å; G23-F79 PolarHBondContact N-O 2.79Å; G25-F79 WeakPolarHBondContact O-CE1 3.5Å; L27-F79 HydrophobicContact CD1-CZ 4.24Å; L27-F79 HydrophobicContact CD2-CE1 4.33Å; L27-F79 HydrophobicContact CD2-CZ 3.74Å; L27-F79 HydrophobicContact CG-CZ 3.85Å; S44-F79 VanDerWaalsContact OG-CD2 3.24Å; S44-F79 WeakPolarHBondContact OG-CD2 3.27Å; L75-F79 HydrophobicContact CD1-CD2 4.19Å; L75-F79 HydrophobicContact CD1-CE1 4.17Å; L75-F79 HydrophobicContact CD1-CE2 3.77Å; L75-F79 HydrophobicContact CD1-CZ 3.76Å; L75-F79 HydrophobicContact CD2-CE2 3.89Å; L75-F79 HydrophobicContact CD2-CZ 4.38Å; L75-F79 HydrophobicContact CG-CD2 3.93Å; L75-F79 HydrophobicContact CG-CE2 3.62Å; L75-F79 HydrophobicContact CG-CZ 4.14Å; L75-F79 WeakPolarHBondContact O-CD2 3.21Å; L75-F79 WeakPolarHBondContact O-CG 3.46Å; L75-F79 PolarHBondContact O-N 3.36Å; L76-F79 PolarHBondContact O-N 3.4Å; F79-F88 AromaticContact CD1-CD2 3.69Å; F79-F88 HydrophobicContact CD1-CD2 3.69Å; F79-F88 AromaticContact CD1-CE2 3.47Å; F79-F88 HydrophobicContact CD1-CE2 3.47Å; F79-F88 VanDerWaalsContact CD1-CE2 3.47Å; F79-F88 HydrophobicContact CD1-CZ 4.26Å; F79-F88 AromaticContact CE1-CD2 3.46Å; F79-F88 HydrophobicContact CE1-CD2 3.46Å; F79-F88 VanDerWaalsContact CE1-CD2 3.46Å; F79-F88 AromaticContact CE1-CE2 3.75Å; F79-F88 HydrophobicContact CE1-CE2 3.75Å; F79-F88 HydrophobicContact CE1-CG 4.33Å |
| 80 | W | 88.7 | Confident | 86.6 | Confident | 20 Ų | 20 | 55.3 Ų | 55.3 | 8% | 0.076 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -119 | 11.7 | -170.2 | -60.9 | 91.4 | 0 | 0 | 0 | 113.9 | L2 I22 S44 T50 L54 L76 | L2-W80 HydrophobicContact CD1-CB 4.41Å; L2-W80 HydrophobicContact CD1-CD2 4.29Å; L2-W80 HydrophobicContact CD1-CE3 3.85Å; L2-W80 HydrophobicContact CD2-CB 4.37Å; I22-W80 HydrophobicContact CB-CE3 4.4Å; I22-W80 HydrophobicContact CD1-CE3 4.3Å; I22-W80 WeakPolarHBondContact CD1-O 3.26Å; I22-W80 HydrophobicContact CG1-CB 4.28Å; I22-W80 HydrophobicContact CG1-CD2 4.5Å; I22-W80 HydrophobicContact CG1-CE3 3.83Å; I22-W80 HydrophobicContact CG2-CE3 4.1Å; I22-W80 HydrophobicContact CG2-CZ3 4.07Å; S44-W80 PolarHBondContact O-NE1 3.49Å; S44-W80 PolarHBondContact OG-NE1 2.98Å; T50-W80 HydrophobicContact CG2-CD2 4.33Å; T50-W80 HydrophobicContact CG2-CG 3.96Å; L54-W80 HydrophobicContact CD1-CB 3.78Å; L76-W80 WeakPolarHBondContact O-CB 3.44Å; L76-W80 PolarHBondContact O-N 3.47Å |
| 81 | G | 82.6 | Confident | 86.6 | Confident | 20 Ų | 20 | 53.6 Ų | 53.6 | 21% | 0.206 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -97.5 | -156.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | S77 R84 | S77-G81 WeakPolarHBondContact O-CA 3.44Å; S77-G81 PolarHBondContact O-N 2.86Å; G81-R84 WeakPolarHBondContact O-CG 3.23Å |
| 82 | N | 74.6 | Confident | 86.6 | Confident | 140 Ų | 140 | 52.6 Ų | 52.6 | 75% | 0.749 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -87.4 | -34.1 | -171 | -69.4 | -22.8 | 0 | 0 | 0 | 113.9 | R84 | N82-R84 PolarHBondContact O-NE 3.01Å; N82-R84 VanDerWaalsContact O-NE 3.1Å |
| 83 | E | 70.2 | Confident | 86.5 | Confident | 154 Ų | 154 | 52.8 Ų | 52.8 | 72% | 0.72 | 28% | 0.279 | S | S | * | . | trans | -68.5 | -37 | -171.2 | -59.1 | -162.1 | -167.5 | 0 | 0 | 113.3 | P85 | E83-P85 WeakPolarHBondContact O-CD 3.06Š| ||
| 84 | R | 72.7 | Confident | 86.5 | Confident | 73 Ų | 73 | 53 Ų | 53 | 28% | 0.275 | 28% | 0.28 | S | S | . | . | trans | 46.4 | 45.1 | 167 | -60.6 | 178.1 | -74.7 | 169.4 | -20.4 | 116.1 | L19 L20 G81 N82 | L19-R84 HydrophobicContact CD2-CB 4.42Å; L20-R84 WeakPolarHBondContact O-CD 3.43Å; L20-R84 PolarHBondContact O-NH1 3.25Å; G81-R84 WeakPolarHBondContact O-CG 3.23Å; N82-R84 PolarHBondContact O-NE 3.01Å; N82-R84 VanDerWaalsContact O-NE 3.1Å | ||
| 85 | P | 77.1 | Confident | 86.5 | Confident | 54 Ų | 54 | 53.9 Ų | 53.9 | 35% | 0.351 | 28% | 0.281 | S | S | . | . | trans | -66.7 | 157.9 | 174.6 | 31.1 | -36.9 | 0 | 0 | 0 | 111.4 | E83 C87 F88 | E83-P85 WeakPolarHBondContact O-CD 3.06Å; P85-C87 PolarHBondContact O-N 3.18Å; P85-F88 HydrophobicContact CB-CZ 4.49Å; P85-F88 VanDerWaalsContact CD-CZ 3.49Å; P85-F88 HydrophobicContact CG-CD1 4.12Å; P85-F88 HydrophobicContact CG-CE1 3.22Å; P85-F88 HydrophobicContact CG-CE2 4.23Å; P85-F88 HydrophobicContact CG-CZ 3.35Å; P85-F88 VanDerWaalsContact O-CE2 3.25Å; P85-F88 WeakPolarHBondContact O-CE2 3.26Å | ||
| 86 | R | 80 | Confident | 86.5 | Confident | 170 Ų | 170 | 54.4 Ų | 54.4 | 64% | 0.642 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -75 | -24.6 | -168.3 | -57.8 | -171.9 | 177 | 146.1 | 2.9 | 114.4 | L20 G26 | L20-R86 HydrophobicContact CD1-CB 4.11Å; L20-R86 HydrophobicContact CD1-CG 3.82Å; L20-R86 HydrophobicContact CG-CG 4.35Å; G26-R86 PolarHBondContact N-O 3.35Å |
| 87 | C | 84.7 | Confident | 86.5 | Confident | 38 Ų | 38 | 54.5 Ų | 54.5 | 26% | 0.257 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 135.3 | -173.3 | 175.1 | 0 | 0 | 0 | 0 | 110 | G26 R28 P85 E436 | G26-C87 WeakPolarHBondContact O-CA 3.35Å; R28-C87 PolarHBondContact NH2-SG 3.39Å; R28-C87 VanDerWaalsContact NH2-SG 3.41Å; P85-C87 PolarHBondContact O-N 3.18Å; C87-E436 HydrophobicContact CB-CB 4.24Å; C87-E436 VanDerWaalsContact SG-CB 3.5Å |
| 88 | F | 87.4 | Confident | 86.6 | Confident | 26 Ų | 26 | 52.5 Ų | 52.5 | 11% | 0.114 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 160.5 | -178.8 | -61.1 | -87.3 | 0 | 0 | 0 | 112.1 | G26 L27 R28 L75 E78 F79 P85 | G26-F88 PolarHBondContact O-N 2.99Å; L27-F88 HydrophobicContact CD2-CB 4.07Å; R28-F88 WeakPolarHBondContact CB-O 3.19Å; R28-F88 PolarHBondContact N-O 3.48Å; L75-F88 HydrophobicContact CD1-CB 4.21Å; L75-F88 HydrophobicContact CD1-CG 4.42Å; E78-F88 HydrophobicContact CB-CD1 4.02Å; E78-F88 HydrophobicContact CB-CE1 3.38Å; E78-F88 HydrophobicContact CB-CZ 3.77Å; E78-F88 HydrophobicContact CG-CD1 4.3Å; E78-F88 HydrophobicContact CG-CE1 3.82Å; E78-F88 WeakPolarHBondContact OE2-CE1 3.49Å; F79-F88 AromaticContact CD1-CD2 3.69Å; F79-F88 HydrophobicContact CD1-CD2 3.69Å; F79-F88 AromaticContact CD1-CE2 3.47Å; F79-F88 HydrophobicContact CD1-CE2 3.47Å; F79-F88 VanDerWaalsContact CD1-CE2 3.47Å; F79-F88 HydrophobicContact CD1-CZ 4.26Å; F79-F88 AromaticContact CE1-CD2 3.46Å; F79-F88 HydrophobicContact CE1-CD2 3.46Å; F79-F88 VanDerWaalsContact CE1-CD2 3.46Å; F79-F88 AromaticContact CE1-CE2 3.75Å; F79-F88 HydrophobicContact CE1-CE2 3.75Å; F79-F88 HydrophobicContact CE1-CG 4.33Å; P85-F88 HydrophobicContact CB-CZ 4.49Å; P85-F88 VanDerWaalsContact CD-CZ 3.49Å; P85-F88 HydrophobicContact CG-CD1 4.12Å; P85-F88 HydrophobicContact CG-CE1 3.22Å; P85-F88 HydrophobicContact CG-CE2 4.23Å; P85-F88 HydrophobicContact CG-CZ 3.35Å; P85-F88 VanDerWaalsContact O-CE2 3.25Å; P85-F88 WeakPolarHBondContact O-CE2 3.26Å |
| 89 | N | 89 | Confident | 86.8 | Confident | 90 Ų | 90 | 55.3 Ų | 55.3 | 48% | 0.481 | 29% | 0.287 | S | S | . | . | trans | -110.5 | 118 | 171.6 | -173 | -7.8 | 0 | 0 | 0 | 110.1 | N91 | N89-N91 PolarHBondContact ND2-ND2 3.1Å; N89-N91 VanDerWaalsContact ND2-ND2 3.2Å; N89-N91 VanDerWaalsContact OD1-CB 3.32Å; N89-N91 WeakPolarHBondContact OD1-CB 3.3Å; N89-N91 PolarHBondContact OD1-N 3.26Å; N89-N91 PolarHBondContact OD1-ND2 2.78Å; N89-N91 PolarHBondContact OD1-OD1 3.35Å | ||
| 90 | A | 92.7 | Very high | 86.8 | Confident | 4 Ų | 4 | 58.5 Ų | 58.5 | 3% | 0.033 | 31% | 0.307 | C | S | . | . | trans | -91.9 | 14.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114 | L27 M36 L40 A92 I93 L94 | L27-A90 HydrophobicContact CD2-CB 4.16Å; M36-A90 HydrophobicContact CE-CB 3.82Å; L40-A90 HydrophobicContact CD1-CB 3.95Å; A90-A92 VanDerWaalsContact C-N 3.29Å; A90-A92 PolarHBondContact O-N 2.83Å; A90-I93 HydrophobicContact CB-CD1 4.49Å; A90-I93 WeakPolarHBondContact O-CB 3.4Å; A90-I93 PolarHBondContact O-N 3.01Å; A90-L94 PolarHBondContact O-N 3.31Å; A90-L94 VanDerWaalsContact O-N 3.13Å | ||
| 91 | N | 91.6 | Very high | 87 | Confident | 54 Ų | 54 | 59.2 Ų | 59.2 | 29% | 0.289 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -51.5 | -43.6 | -179 | -78.7 | -2.3 | 0 | 0 | 0 | 113.1 | S30 N89 I93 L94 D95 | S30-N91 WeakPolarHBondContact CB-OD1 3.49Å; S30-N91 PolarHBondContact OG-OD1 3.18Å; N89-N91 PolarHBondContact ND2-ND2 3.1Å; N89-N91 VanDerWaalsContact ND2-ND2 3.2Å; N89-N91 VanDerWaalsContact OD1-CB 3.32Å; N89-N91 WeakPolarHBondContact OD1-CB 3.3Å; N89-N91 PolarHBondContact OD1-N 3.26Å; N89-N91 PolarHBondContact OD1-ND2 2.78Å; N89-N91 PolarHBondContact OD1-OD1 3.35Å; N91-I93 PolarHBondContact O-N 2.8Å; N91-L94 CarbonylContact O-C 3.57Å; N91-L94 WeakPolarHBondContact O-CA 3.41Å; N91-L94 WeakPolarHBondContact O-CB 3.47Å; N91-L94 PolarHBondContact O-N 3.45Å; N91-D95 WeakPolarHBondContact O-CB 3.48Å; N91-D95 VanDerWaalsContact O-CG 3.24Å; N91-D95 PolarHBondContact O-N 2.92Å |
| 92 | A | 93.3 | Very high | 87.4 | Confident | 44 Ų | 44 | 61.6 Ų | 61.6 | 36% | 0.364 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.8 | -29.4 | -179 | 0 | 0 | 0 | 0 | 0 | 113.4 | H71 A90 T96 | H71-A92 WeakPolarHBondContact CD2-CB 3.26Å; A90-A92 VanDerWaalsContact C-N 3.29Å; A90-A92 PolarHBondContact O-N 2.83Å; A92-T96 VanDerWaalsContact O-CB 3.29Å; A92-T96 WeakPolarHBondContact O-CB 3.22Å; A92-T96 PolarHBondContact O-N 3.48Å; A92-T96 PolarHBondContact O-OG1 3.42Å |
| 93 | I | 95.1 | Very high | 88.2 | Confident | 4 Ų | 4 | 59.8 Ų | 59.8 | 2% | 0.021 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -69.1 | -48.8 | 169.8 | -63.5 | 176 | 0 | 0 | 0 | 109.8 | L40 L68 H71 Y72 L75 A90 N91 T96 F97 F119 | L40-I93 HydrophobicContact CD1-CD1 4.2Å; L40-I93 HydrophobicContact CD2-CD1 4.45Å; L68-I93 HydrophobicContact CD1-CG2 3.98Å; H71-I93 HydrophobicContact CB-CG1 3.68Å; Y72-I93 HydrophobicContact CD2-CD1 4.31Å; L75-I93 HydrophobicContact CB-CD1 4.12Å; L75-I93 HydrophobicContact CD2-CD1 3.67Å; A90-I93 HydrophobicContact CB-CD1 4.49Å; A90-I93 WeakPolarHBondContact O-CB 3.4Å; A90-I93 PolarHBondContact O-N 3.01Å; N91-I93 PolarHBondContact O-N 2.8Å; I93-T96 PolarHBondContact O-N 3.17Å; I93-F97 WeakPolarHBondContact O-CB 3.49Å; I93-F97 PolarHBondContact O-N 3.42Å; I93-F119 HydrophobicContact CG2-CE2 3.67Å; I93-F119 HydrophobicContact CG2-CZ 4.4Å |
| 94 | L | 93.4 | Very high | 89.2 | Confident | 18 Ų | 18 | 52.6 Ų | 52.6 | 9% | 0.094 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.7 | -46.2 | -179.9 | -177.3 | 60.1 | 0 | 0 | 0 | 112.2 | T33 M36 A90 N91 F97 C98 | T33-L94 HydrophobicContact CG2-CD2 3.88Å; M36-L94 HydrophobicContact CE-CB 4.12Å; M36-L94 HydrophobicContact CE-CD2 4.5Å; M36-L94 HydrophobicContact SD-CB 3.83Å; M36-L94 HydrophobicContact SD-CD1 3.98Å; M36-L94 HydrophobicContact SD-CG 4.38Å; A90-L94 PolarHBondContact O-N 3.31Å; A90-L94 VanDerWaalsContact O-N 3.13Å; N91-L94 CarbonylContact O-C 3.57Å; N91-L94 WeakPolarHBondContact O-CA 3.41Å; N91-L94 WeakPolarHBondContact O-CB 3.47Å; N91-L94 PolarHBondContact O-N 3.45Å; L94-F97 PolarHBondContact O-N 3.46Å; L94-C98 WeakPolarHBondContact O-CB 3.42Å; L94-C98 PolarHBondContact O-N 3.31Å; L94-C98 PolarHBondContact O-SG 3.27Å |
| 95 | D | 92.1 | Very high | 89.9 | Confident | 101 Ų | 101 | 55.9 Ų | 55.9 | 54% | 0.54 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.4 | -47.5 | 179.9 | -66.3 | -32.8 | 0 | 0 | 0 | 110.8 | N91 C98 I99 | N91-D95 WeakPolarHBondContact O-CB 3.48Å; N91-D95 VanDerWaalsContact O-CG 3.24Å; N91-D95 PolarHBondContact O-N 2.92Å; D95-C98 PolarHBondContact O-N 3.44Å; D95-I99 PolarHBondContact O-N 3.39Å |
| 96 | T | 92.1 | Very high | 90.3 | Very high | 21 Ų | 21 | 55.6 Ų | 55.6 | 13% | 0.129 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.2 | -47.8 | 174 | -62.2 | 0 | 0 | 0 | 0 | 111.4 | V67 L68 H71 A92 I93 C98 I99 | V67-T96 HydrophobicContact CB-CG2 4.16Å; V67-T96 HydrophobicContact CG1-CG2 3.66Å; L68-T96 HydrophobicContact CB-CG2 4.21Å; L68-T96 HydrophobicContact CD1-CG2 4.14Å; H71-T96 PolarHBondContact CE1-OG1 2.98Å; H71-T96 PolarHBondContact ND1-OG1 3.06Å; A92-T96 VanDerWaalsContact O-CB 3.29Å; A92-T96 WeakPolarHBondContact O-CB 3.22Å; A92-T96 PolarHBondContact O-N 3.48Å; A92-T96 PolarHBondContact O-OG1 3.42Å; I93-T96 PolarHBondContact O-N 3.17Å; T96-C98 VanDerWaalsContact C-N 3.35Å; T96-C98 PolarHBondContact O-N 2.97Å; T96-I99 WeakPolarHBondContact O-CB 3.42Å; T96-I99 PolarHBondContact O-N 3.12Å |
| 97 | F | 92.9 | Very high | 90.8 | Very high | 1 Ų | 1 | 55.7 Ų | 55.7 | 0% | 0.004 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.4 | -38.2 | -178.7 | -171.9 | -109 | 0 | 0 | 0 | 112.1 | L68 I93 L94 I99 V100 H101 F104 F115 L118 F119 | L68-F97 HydrophobicContact CD1-CB 4.3Å; L68-F97 HydrophobicContact CD2-CD2 4.23Å; I93-F97 WeakPolarHBondContact O-CB 3.49Å; I93-F97 PolarHBondContact O-N 3.42Å; L94-F97 PolarHBondContact O-N 3.46Å; F97-I99 PolarHBondContact O-N 3.26Å; F97-V100 PolarHBondContact O-N 3.17Å; F97-V100 VanDerWaalsContact O-N 3.11Å; F97-H101 AromaticContact CD2-CD2 3.86Å; F97-H101 HydrophobicContact CE1-CB 4.18Å; F97-H101 AromaticContact CE2-CD2 3.34Å; F97-H101 WeakPolarHBondContact CE2-CD2 3.46Å; F97-H101 HydrophobicContact CZ-CB 4.3Å; F97-H101 AromaticContact CZ-CD2 3.59Å; F97-H101 PolarHBondContact O-N 3.18Å; F97-F104 HydrophobicContact CD1-CB 4.38Å; F97-F104 HydrophobicContact CD1-CD2 4.1Å; F97-F104 HydrophobicContact CD1-CG 4.24Å; F97-F104 HydrophobicContact CE1-CB 4.42Å; F97-F104 HydrophobicContact CE1-CD1 4.37Å; F97-F104 AromaticContact CE1-CD2 3.4Å; F97-F104 HydrophobicContact CE1-CD2 3.4Å; F97-F104 VanDerWaalsContact CE1-CD2 3.4Å; F97-F104 AromaticContact CE1-CE2 3.67Å; F97-F104 HydrophobicContact CE1-CE2 3.67Å; F97-F104 AromaticContact CE1-CG 3.8Å; F97-F104 HydrophobicContact CE1-CG 3.8Å; F97-F104 HydrophobicContact CE1-CZ 4.27Å; F97-F104 HydrophobicContact CZ-CD2 4.28Å; F97-F104 HydrophobicContact CZ-CE2 4.16Å; F97-F115 HydrophobicContact CD1-CD2 4.02Å; F97-F115 AromaticContact CD1-CE2 3.57Å; F97-F115 HydrophobicContact CD1-CE2 3.57Å; F97-F115 AromaticContact CE1-CD2 3.45Å; F97-F115 HydrophobicContact CE1-CD2 3.45Å; F97-F115 VanDerWaalsContact CE1-CD2 3.45Å; F97-F115 AromaticContact CE1-CE2 3.45Å; F97-F115 HydrophobicContact CE1-CE2 3.45Å; F97-F115 VanDerWaalsContact CE1-CE2 3.45Å; F97-F115 HydrophobicContact CG-CE2 4.23Å; F97-F115 HydrophobicContact CZ-CD2 4.03Å; F97-F115 HydrophobicContact CZ-CE2 4.05Å; F97-L118 HydrophobicContact CE2-CB 4.33Å; F97-L118 HydrophobicContact CZ-CB 3.79Å; F97-F119 HydrophobicContact CD2-CD2 4.21Å; F97-F119 HydrophobicContact CE2-CB 4.14Å; F97-F119 HydrophobicContact CE2-CD2 4.32Å; F97-F119 HydrophobicContact CZ-CB 4.45Å |
| 98 | C | 92.8 | Very high | 91 | Very high | 12 Ų | 12 | 56.6 Ų | 56.6 | 8% | 0.081 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -68.6 | -13.7 | 176.2 | -76 | 0 | 0 | 0 | 0 | 114.4 | L94 D95 T96 F104 R105 | L94-C98 WeakPolarHBondContact O-CB 3.42Å; L94-C98 PolarHBondContact O-N 3.31Å; L94-C98 PolarHBondContact O-SG 3.27Å; D95-C98 PolarHBondContact O-N 3.44Å; T96-C98 VanDerWaalsContact C-N 3.35Å; T96-C98 PolarHBondContact O-N 2.97Å; C98-F104 VanDerWaalsContact SG-C 3.55Å; C98-F104 PolarHBondContact SG-O 3.06Å; C98-R105 HydrophobicContact CB-CG 3.7Å; C98-R105 PolarHBondContact O-NE 2.81Å; C98-R105 PolarHBondContact O-NH2 2.87Å |
| 99 | I | 90.1 | Very high | 91.1 | Very high | 113 Ų | 113 | 58.7 Ų | 58.7 | 58% | 0.579 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -70.8 | -43.5 | 168.3 | -68.6 | 160.5 | 0 | 0 | 0 | 110 | D95 T96 F97 | D95-I99 PolarHBondContact O-N 3.39Å; T96-I99 WeakPolarHBondContact O-CB 3.42Å; T96-I99 PolarHBondContact O-N 3.12Å; F97-I99 PolarHBondContact O-N 3.26Å |
| 100 | V | 89.4 | Confident | 91.3 | Very high | 72 Ų | 72 | 56.6 Ų | 56.6 | 44% | 0.436 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -85.5 | -36.6 | -177.1 | -173.7 | 0 | 0 | 0 | 0 | 112.3 | F97 P102 | F97-V100 PolarHBondContact O-N 3.17Å; F97-V100 VanDerWaalsContact O-N 3.11Å; V100-P102 WeakPolarHBondContact O-CD 3.35Å |
| 101 | H | 92.5 | Very high | 91.3 | Very high | 34 Ų | 34 | 58.4 Ų | 58.4 | 16% | 0.157 | 32% | 0.315 | C | S | . | . | trans | -121.3 | 77.7 | -179.7 | -59 | -73 | 0 | 0 | 0 | 111.5 | F97 M103 F104 | F97-H101 AromaticContact CD2-CD2 3.86Å; F97-H101 HydrophobicContact CE1-CB 4.18Å; F97-H101 AromaticContact CE2-CD2 3.34Å; F97-H101 WeakPolarHBondContact CE2-CD2 3.46Å; F97-H101 HydrophobicContact CZ-CB 4.3Å; F97-H101 AromaticContact CZ-CD2 3.59Å; F97-H101 PolarHBondContact O-N 3.18Å; H101-M103 HydrophobicContact CB-CG 4.5Å; H101-M103 PolarHBondContact O-N 2.72Å; H101-F104 HydrophobicContact CB-CD2 3.78Å; H101-F104 HydrophobicContact CB-CE2 4.16Å; H101-F104 PolarHBondContact O-N 2.95Å; H101-F104 VanDerWaalsContact O-N 3.14Å | ||
| 102 | P | 91.9 | Very high | 91.5 | Very high | 71 Ų | 71 | 55.9 Ų | 55.9 | 46% | 0.461 | 30% | 0.301 | S | S | . | . | G | 310 helix | trans | -58.6 | -17.7 | -175.8 | -27.5 | 36 | 0 | 0 | 0 | 116 | V100 F104 R105 | V100-P102 WeakPolarHBondContact O-CD 3.35Å; P102-F104 PolarHBondContact O-N 3.32Å; P102-R105 VanDerWaalsContact O-CB 3.28Å; P102-R105 WeakPolarHBondContact O-CB 3.33Å; P102-R105 WeakPolarHBondContact O-CG 3.46Å; P102-R105 PolarHBondContact O-N 3.01Å; P102-R105 VanDerWaalsContact O-N 3.09Å |
| 103 | M | 90.9 | Very high | 91.6 | Very high | 102 Ų | 102 | 55 Ų | 55 | 50% | 0.502 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -60.9 | -23.2 | 175.3 | 53.7 | 167 | 43.3 | 0 | 0 | 113.9 | H101 R105 Q110 L118 | H101-M103 HydrophobicContact CB-CG 4.5Å; H101-M103 PolarHBondContact O-N 2.72Å; M103-R105 VanDerWaalsContact C-N 3.33Å; M103-Q110 PolarHBondContact O-NE2 3.35Å; M103-L118 HydrophobicContact SD-CD1 4.18Å |
| 104 | F | 91.8 | Very high | 91.6 | Very high | 2 Ų | 2 | 58.5 Ų | 58.5 | 1% | 0.009 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -86.6 | 1.3 | 176.3 | -65.9 | -85 | 0 | 0 | 0 | 113.7 | Y35 F97 C98 H101 P102 Q110 E114 F115 L118 | Y35-F104 AromaticContact CE2-CD1 3.67Å; Y35-F104 HydrophobicContact CE2-CD1 3.67Å; Y35-F104 AromaticContact CE2-CE1 3.95Å; Y35-F104 HydrophobicContact CE2-CE1 3.95Å; Y35-F104 AromaticContact CZ-CD1 3.97Å; F97-F104 HydrophobicContact CD1-CB 4.38Å; F97-F104 HydrophobicContact CD1-CD2 4.1Å; F97-F104 HydrophobicContact CD1-CG 4.24Å; F97-F104 HydrophobicContact CE1-CB 4.42Å; F97-F104 HydrophobicContact CE1-CD1 4.37Å; F97-F104 AromaticContact CE1-CD2 3.4Å; F97-F104 HydrophobicContact CE1-CD2 3.4Å; F97-F104 VanDerWaalsContact CE1-CD2 3.4Å; F97-F104 AromaticContact CE1-CE2 3.67Å; F97-F104 HydrophobicContact CE1-CE2 3.67Å; F97-F104 AromaticContact CE1-CG 3.8Å; F97-F104 HydrophobicContact CE1-CG 3.8Å; F97-F104 HydrophobicContact CE1-CZ 4.27Å; F97-F104 HydrophobicContact CZ-CD2 4.28Å; F97-F104 HydrophobicContact CZ-CE2 4.16Å; C98-F104 VanDerWaalsContact SG-C 3.55Å; C98-F104 PolarHBondContact SG-O 3.06Å; H101-F104 HydrophobicContact CB-CD2 3.78Å; H101-F104 HydrophobicContact CB-CE2 4.16Å; H101-F104 PolarHBondContact O-N 2.95Å; H101-F104 VanDerWaalsContact O-N 3.14Å; P102-F104 PolarHBondContact O-N 3.32Å; F104-Q110 HydrophobicContact CD1-CB 4.07Å; F104-Q110 HydrophobicContact CD1-CG 3.81Å; F104-Q110 HydrophobicContact CE1-CB 3.89Å; F104-Q110 HydrophobicContact CE1-CG 4.1Å; F104-E114 HydrophobicContact CZ-CG 4.22Å; F104-F115 HydrophobicContact CD1-CD2 4.06Å; F104-F115 HydrophobicContact CE1-CB 3.75Å; F104-F115 AromaticContact CE1-CD2 3.97Å; F104-F115 HydrophobicContact CE1-CD2 3.97Å; F104-F115 HydrophobicContact CE1-CG 4.38Å; F104-F115 HydrophobicContact CZ-CB 4.11Å; F104-F115 HydrophobicContact CZ-CD2 4.44Å; F104-L118 HydrophobicContact CE2-CD1 3.71Å; F104-L118 HydrophobicContact CZ-CD1 4.13Å |
| 105 | R | 87.9 | Confident | 91.8 | Very high | 142 Ų | 142 | 57.7 Ų | 57.7 | 54% | 0.536 | 30% | 0.302 | S | S | . | . | trans | -69.1 | 149 | 177.4 | -70.3 | 176.2 | -172.9 | -171.3 | 2.7 | 111.8 | C98 P102 M103 | C98-R105 HydrophobicContact CB-CG 3.7Å; C98-R105 PolarHBondContact O-NE 2.81Å; C98-R105 PolarHBondContact O-NH2 2.87Å; P102-R105 VanDerWaalsContact O-CB 3.28Å; P102-R105 WeakPolarHBondContact O-CB 3.33Å; P102-R105 WeakPolarHBondContact O-CG 3.46Å; P102-R105 PolarHBondContact O-N 3.01Å; P102-R105 VanDerWaalsContact O-N 3.09Å; M103-R105 VanDerWaalsContact C-N 3.33Å | ||
| 106 | G | 85.7 | Confident | 92 | Very high | 49 Ų | 49 | 53.1 Ų | 53.1 | 51% | 0.505 | 28% | 0.278 | S | S | . | . | S | Bend | trans | 83.4 | -157.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 107 | Y | 89.2 | Confident | 92.2 | Very high | 172 Ų | 172 | 59.1 Ų | 59.1 | 68% | 0.675 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -119.1 | 27.3 | -168.9 | -51.5 | -75.2 | 0 | 0 | 0 | 112.6 | S30 N32 | S30-Y107 WeakPolarHBondContact O-CE1 3.09Å; N32-Y107 WeakPolarHBondContact CB-O 3.48Å; N32-Y107 PolarHBondContact ND2-O 3.24Å |
| 108 | A | 89.3 | Confident | 92.4 | Very high | 56 Ų | 56 | 61 Ų | 61 | 46% | 0.463 | 31% | 0.308 | S | S | . | . | trans | -75.9 | 147.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 109 | Q | 89.8 | Confident | 92.7 | Very high | 71 Ų | 71 | 60.5 Ų | 60.5 | 33% | 0.332 | 30% | 0.304 | S | S | . | . | trans | -73.1 | 142.7 | 167.7 | -65.5 | -168.1 | -8.4 | 0 | 0 | 109.8 | N32 G416 | N32-Q109 HydrophobicContact CB-CG 3.78Å; N32-Q109 WeakPolarHBondContact OD1-CG 3.47Å; N32-Q109 PolarHBondContact OD1-NE2 3.09Å; Q109-G416 PolarHBondContact NE2-O 2.91Å; Q109-G416 PolarHBondContact OE1-O 2.89Å | ||
| 110 | Q | 92.1 | Very high | 93 | Very high | 45 Ų | 45 | 55.4 Ų | 55.4 | 21% | 0.21 | 28% | 0.278 | C | S | . | . | trans | -131.7 | 163.8 | -175 | -58 | -69.2 | 1.5 | 0 | 0 | 110.7 | Y35 M103 F104 A112 Y418 | Y35-Q110 WeakPolarHBondContact CB-O 3.19Å; Y35-Q110 HydrophobicContact CD1-CB 3.89Å; Y35-Q110 HydrophobicContact CD1-CG 4.41Å; Y35-Q110 HydrophobicContact CD2-CB 3.92Å; Y35-Q110 HydrophobicContact CE1-CB 3.83Å; Y35-Q110 HydrophobicContact CE1-CG 3.87Å; Y35-Q110 HydrophobicContact CE2-CB 3.89Å; Y35-Q110 HydrophobicContact CE2-CG 4.29Å; Y35-Q110 HydrophobicContact CG-CB 3.96Å; M103-Q110 PolarHBondContact O-NE2 3.35Å; F104-Q110 HydrophobicContact CD1-CB 4.07Å; F104-Q110 HydrophobicContact CD1-CG 3.81Å; F104-Q110 HydrophobicContact CE1-CB 3.89Å; F104-Q110 HydrophobicContact CE1-CG 4.1Å; Q110-A112 PolarHBondContact O-N 3.35Å; Q110-Y418 WeakPolarHBondContact O-CE2 3.49Å | ||
| 111 | D | 93.2 | Very high | 93.2 | Very high | 43 Ų | 43 | 55 Ų | 55 | 23% | 0.23 | 28% | 0.275 | C | S | . | . | trans | -76.9 | 121.1 | 175.6 | -163.4 | -31.3 | 0 | 0 | 0 | 111 | Q113 E114 F115 Y454 | D111-Q113 PolarHBondContact O-N 3.4Å; D111-Q113 WeakPolarHBondContact OD1-CB 3.49Å; D111-Q113 PolarHBondContact OD1-N 3.4Å; D111-E114 HydrophobicContact CB-CB 4.11Å; D111-E114 PolarHBondContact O-N 3.19Å; D111-F115 PolarHBondContact O-N 3.13Å; D111-Y454 WeakPolarHBondContact OD1-CE1 3.31Å; D111-Y454 PolarHBondContact OD1-OH 3.13Å; D111-Y454 PolarHBondContact OD2-OH 3.44Å | ||
| 112 | A | 96.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.9 | -27.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q110 L116 I407 Y418 | Q110-A112 PolarHBondContact O-N 3.35Å; A112-L116 WeakPolarHBondContact O-CB 3.45Å; A112-L116 PolarHBondContact O-N 3.29Å; A112-I407 HydrophobicContact CB-CG2 4.26Å; A112-Y418 HydrophobicContact CB-CD1 3.77Å; A112-Y418 HydrophobicContact CB-CE1 3.55Å; A112-Y418 HydrophobicContact CB-CE2 4.49Å; A112-Y418 HydrophobicContact CB-CG 4.33Å |
| 113 | Q | 95.6 | Very high | 93.4 | Very high | 27 Ų | 27 | 51.7 Ų | 51.7 | 13% | 0.126 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -72.6 | -40.2 | 176.6 | -168.1 | -90.1 | -5.7 | 0 | 0 | 111.9 | D111 R117 D186 H359 Y454 I455 | D111-Q113 PolarHBondContact O-N 3.4Å; D111-Q113 WeakPolarHBondContact OD1-CB 3.49Å; D111-Q113 PolarHBondContact OD1-N 3.4Å; Q113-R117 WeakPolarHBondContact O-CB 3.42Å; Q113-R117 PolarHBondContact O-N 3.48Å; Q113-D186 PolarHBondContact NE2-OD2 2.76Å; Q113-H359 HydrophobicContact CG-CB 4.01Å; Q113-Y454 HydrophobicContact CB-CE1 4.22Å; Q113-I455 HydrophobicContact CB-CD1 3.75Å; Q113-I455 HydrophobicContact CG-CD1 4.16Å |
| 114 | E | 95.3 | Very high | 93.5 | Very high | 77 Ų | 77 | 48.3 Ų | 48.3 | 36% | 0.36 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -67.4 | -45.8 | 177.7 | -173.6 | 169.8 | -151.1 | 0 | 0 | 110.6 | F104 D111 R117 L118 | F104-E114 HydrophobicContact CZ-CG 4.22Å; D111-E114 HydrophobicContact CB-CB 4.11Å; D111-E114 PolarHBondContact O-N 3.19Å; E114-R117 PolarHBondContact O-N 3.3Å; E114-L118 HydrophobicContact CG-CD1 3.94Å; E114-L118 WeakPolarHBondContact O-CB 3.37Å; E114-L118 WeakPolarHBondContact O-CG 3.29Å; E114-L118 PolarHBondContact O-N 3.29Å |
| 115 | F | 97 | Very high | 93.4 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -56.5 | -54.1 | 172.8 | 178.1 | -92.7 | 0 | 0 | 0 | 111.5 | Y35 M36 A39 F97 F104 D111 R117 L118 F119 | Y35-F115 HydrophobicContact CD2-CB 3.79Å; Y35-F115 HydrophobicContact CD2-CD2 4.24Å; Y35-F115 AromaticContact CD2-CG 3.98Å; Y35-F115 HydrophobicContact CD2-CG 3.98Å; Y35-F115 HydrophobicContact CE2-CB 4.02Å; Y35-F115 AromaticContact CE2-CD2 3.71Å; Y35-F115 HydrophobicContact CE2-CD2 3.71Å; Y35-F115 HydrophobicContact CE2-CE2 4.47Å; Y35-F115 AromaticContact CE2-CG 3.93Å; Y35-F115 HydrophobicContact CE2-CG 3.93Å; M36-F115 HydrophobicContact CB-CD1 4.47Å; M36-F115 HydrophobicContact CB-CD2 4.5Å; M36-F115 HydrophobicContact CB-CE1 4.15Å; M36-F115 HydrophobicContact CB-CE2 4.16Å; M36-F115 HydrophobicContact CB-CZ 4Å; M36-F115 HydrophobicContact CG-CE1 3.88Å; M36-F115 HydrophobicContact CG-CE2 3.99Å; M36-F115 HydrophobicContact CG-CZ 3.5Å; M36-F115 HydrophobicContact SD-CE2 4.35Å; M36-F115 HydrophobicContact SD-CZ 4.17Å; A39-F115 HydrophobicContact CB-CD1 3.56Å; A39-F115 HydrophobicContact CB-CE1 3.85Å; F97-F115 HydrophobicContact CD1-CD2 4.02Å; F97-F115 AromaticContact CD1-CE2 3.57Å; F97-F115 HydrophobicContact CD1-CE2 3.57Å; F97-F115 AromaticContact CE1-CD2 3.45Å; F97-F115 HydrophobicContact CE1-CD2 3.45Å; F97-F115 VanDerWaalsContact CE1-CD2 3.45Å; F97-F115 AromaticContact CE1-CE2 3.45Å; F97-F115 HydrophobicContact CE1-CE2 3.45Å; F97-F115 VanDerWaalsContact CE1-CE2 3.45Å; F97-F115 HydrophobicContact CG-CE2 4.23Å; F97-F115 HydrophobicContact CZ-CD2 4.03Å; F97-F115 HydrophobicContact CZ-CE2 4.05Å; F104-F115 HydrophobicContact CD1-CD2 4.06Å; F104-F115 HydrophobicContact CE1-CB 3.75Å; F104-F115 AromaticContact CE1-CD2 3.97Å; F104-F115 HydrophobicContact CE1-CD2 3.97Å; F104-F115 HydrophobicContact CE1-CG 4.38Å; F104-F115 HydrophobicContact CZ-CB 4.11Å; F104-F115 HydrophobicContact CZ-CD2 4.44Å; D111-F115 PolarHBondContact O-N 3.13Å; F115-R117 VanDerWaalsContact C-N 3.31Å; F115-R117 PolarHBondContact O-N 3.26Å; F115-L118 PolarHBondContact O-N 2.85Å; F115-F119 HydrophobicContact CE1-CB 4.15Å; F115-F119 HydrophobicContact CE1-CD2 4.16Å; F115-F119 HydrophobicContact CE1-CG 4.19Å; F115-F119 HydrophobicContact CZ-CB 4.31Å; F115-F119 AromaticContact CZ-CD2 3.75Å; F115-F119 HydrophobicContact CZ-CD2 3.75Å; F115-F119 HydrophobicContact CZ-CE2 4.4Å; F115-F119 HydrophobicContact CZ-CG 4.22Å; F115-F119 WeakPolarHBondContact O-CB 3.43Å; F115-F119 PolarHBondContact O-N 3.34Å |
| 116 | L | 97.5 | Very high | 93.5 | Very high | 6 Ų | 6 | 46.1 Ų | 46.1 | 3% | 0.031 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -54.9 | -46.1 | -178.8 | 176.4 | 68.1 | 0 | 0 | 0 | 111.9 | A39 L43 A112 L120 T357 I455 F457 | A39-L116 HydrophobicContact CB-CB 4.38Å; A39-L116 HydrophobicContact CB-CD1 4.39Å; L43-L116 HydrophobicContact CD1-CD1 3.83Å; L43-L116 HydrophobicContact CD2-CD1 3.8Å; L43-L116 HydrophobicContact CG-CD1 3.76Å; A112-L116 WeakPolarHBondContact O-CB 3.45Å; A112-L116 PolarHBondContact O-N 3.29Å; L116-L120 HydrophobicContact CD1-CD1 4.24Å; L116-L120 HydrophobicContact CG-CD1 4.33Å; L116-L120 WeakPolarHBondContact O-CB 3.31Å; L116-L120 WeakPolarHBondContact O-CG 3.44Å; L116-L120 PolarHBondContact O-N 3.38Å; L116-T357 HydrophobicContact CD2-CG2 4.08Å; L116-I455 HydrophobicContact CD2-CD1 4.11Å; L116-I455 HydrophobicContact CD2-CG2 4.37Å; L116-F457 HydrophobicContact CD1-CZ 4.1Å; L116-F457 HydrophobicContact CD2-CE1 4.33Å; L116-F457 HydrophobicContact CD2-CE2 4.44Å; L116-F457 HydrophobicContact CD2-CZ 3.61Å |
| 117 | R | 96.2 | Very high | 93.7 | Very high | 147 Ų | 147 | 44.1 Ų | 44.1 | 56% | 0.555 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -65.5 | -46.1 | -179.1 | -178.6 | 176.1 | 174.2 | -168.5 | 0.2 | 112 | Q113 E114 F115 V121 | Q113-R117 WeakPolarHBondContact O-CB 3.42Å; Q113-R117 PolarHBondContact O-N 3.48Å; E114-R117 PolarHBondContact O-N 3.3Å; F115-R117 VanDerWaalsContact C-N 3.31Å; F115-R117 PolarHBondContact O-N 3.26Å; R117-V121 VanDerWaalsContact O-CG2 3.31Å; R117-V121 WeakPolarHBondContact O-CG2 3.45Å; R117-V121 PolarHBondContact O-N 3.14Å |
| 118 | L | 96.9 | Very high | 93.4 | Very high | 41 Ų | 41 | 37.4 Ų | 37.4 | 22% | 0.215 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -70.4 | -36.1 | -179.9 | -68.8 | 173.5 | 0 | 0 | 0 | 111.7 | F97 M103 F104 E114 F115 V121 Q122 | F97-L118 HydrophobicContact CE2-CB 4.33Å; F97-L118 HydrophobicContact CZ-CB 3.79Å; M103-L118 HydrophobicContact SD-CD1 4.18Å; F104-L118 HydrophobicContact CE2-CD1 3.71Å; F104-L118 HydrophobicContact CZ-CD1 4.13Å; E114-L118 HydrophobicContact CG-CD1 3.94Å; E114-L118 WeakPolarHBondContact O-CB 3.37Å; E114-L118 WeakPolarHBondContact O-CG 3.29Å; E114-L118 PolarHBondContact O-N 3.29Å; F115-L118 PolarHBondContact O-N 2.85Å; L118-V121 PolarHBondContact O-N 3.23Å; L118-Q122 PolarHBondContact O-N 3.43Å |
| 119 | F | 97.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.4 | -47.6 | 173.5 | -172.4 | -96.1 | 0 | 0 | 0 | 112.1 | L40 L43 L68 Y72 I93 F97 F115 V121 Q122 L123 | L40-F119 HydrophobicContact CD2-CE1 3.99Å; L40-F119 HydrophobicContact CD2-CE2 3.98Å; L40-F119 HydrophobicContact CD2-CZ 3.58Å; L43-F119 HydrophobicContact CD1-CD1 3.57Å; L43-F119 HydrophobicContact CD1-CE1 3.7Å; L68-F119 HydrophobicContact CD1-CD2 4.44Å; L68-F119 HydrophobicContact CD1-CE2 3.89Å; L68-F119 HydrophobicContact CD2-CD2 3.92Å; L68-F119 HydrophobicContact CD2-CE2 3.87Å; L68-F119 HydrophobicContact CG-CE2 4.03Å; Y72-F119 HydrophobicContact CD1-CE1 4.38Å; Y72-F119 HydrophobicContact CD1-CZ 4.39Å; Y72-F119 HydrophobicContact CD2-CE1 4.2Å; Y72-F119 AromaticContact CD2-CZ 3.79Å; Y72-F119 HydrophobicContact CD2-CZ 3.79Å; Y72-F119 HydrophobicContact CE2-CE1 4.35Å; Y72-F119 HydrophobicContact CE2-CZ 4.33Å; Y72-F119 HydrophobicContact CG-CE1 4.25Å; Y72-F119 AromaticContact CG-CZ 3.84Å; Y72-F119 HydrophobicContact CG-CZ 3.84Å; I93-F119 HydrophobicContact CG2-CE2 3.67Å; I93-F119 HydrophobicContact CG2-CZ 4.4Å; F97-F119 HydrophobicContact CD2-CD2 4.21Å; F97-F119 HydrophobicContact CE2-CB 4.14Å; F97-F119 HydrophobicContact CE2-CD2 4.32Å; F97-F119 HydrophobicContact CZ-CB 4.45Å; F115-F119 HydrophobicContact CE1-CB 4.15Å; F115-F119 HydrophobicContact CE1-CD2 4.16Å; F115-F119 HydrophobicContact CE1-CG 4.19Å; F115-F119 HydrophobicContact CZ-CB 4.31Å; F115-F119 AromaticContact CZ-CD2 3.75Å; F115-F119 HydrophobicContact CZ-CD2 3.75Å; F115-F119 HydrophobicContact CZ-CE2 4.4Å; F115-F119 HydrophobicContact CZ-CG 4.22Å; F115-F119 WeakPolarHBondContact O-CB 3.43Å; F115-F119 PolarHBondContact O-N 3.34Å; F119-V121 VanDerWaalsContact C-N 3.34Å; F119-V121 PolarHBondContact O-N 3.27Å; F119-Q122 PolarHBondContact O-N 3.5Å; F119-L123 HydrophobicContact CD1-CD1 3.91Å; F119-L123 HydrophobicContact CD1-CG 4.48Å; F119-L123 HydrophobicContact CE1-CD1 3.44Å; F119-L123 VanDerWaalsContact CE1-CD1 3.44Å; F119-L123 HydrophobicContact CE1-CG 4.21Å; F119-L123 HydrophobicContact CZ-CD1 4.06Å; F119-L123 PolarHBondContact O-N 3.39Å |
| 120 | L | 96.7 | Very high | 91.3 | Very high | 7 Ų | 7 | 36.1 Ų | 36.1 | 4% | 0.037 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.8 | -37.3 | 174.3 | -72.1 | 174.9 | 0 | 0 | 0 | 112.3 | L43 L116 H124 I157 F161 | L43-L120 HydrophobicContact CD1-CD2 4.26Å; L43-L120 HydrophobicContact CD2-CD1 4.49Å; L43-L120 HydrophobicContact CD2-CD2 3.95Å; L43-L120 HydrophobicContact CD2-CG 4.49Å; L116-L120 HydrophobicContact CD1-CD1 4.24Å; L116-L120 HydrophobicContact CG-CD1 4.33Å; L116-L120 WeakPolarHBondContact O-CB 3.31Å; L116-L120 WeakPolarHBondContact O-CG 3.44Å; L116-L120 PolarHBondContact O-N 3.38Å; L120-H124 WeakPolarHBondContact O-CB 3.34Å; L120-H124 PolarHBondContact O-N 2.96Å; L120-I157 HydrophobicContact CB-CG2 4.14Å; L120-I157 HydrophobicContact CD2-CD1 4.18Å; L120-I157 HydrophobicContact CD2-CG2 4.08Å; L120-F161 HydrophobicContact CD1-CG 4.47Å; L120-F161 HydrophobicContact CD2-CD2 4.17Å; L120-F161 HydrophobicContact CD2-CE2 3.92Å; L120-F161 HydrophobicContact CD2-CZ 4.43Å |
| 121 | V | 94.3 | Very high | 89.9 | Confident | 63 Ų | 63 | 38.5 Ų | 38.5 | 38% | 0.382 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -63.9 | -44.9 | 174.1 | 167.7 | 0 | 0 | 0 | 0 | 111.4 | R117 L118 F119 H124 E125 | R117-V121 VanDerWaalsContact O-CG2 3.31Å; R117-V121 WeakPolarHBondContact O-CG2 3.45Å; R117-V121 PolarHBondContact O-N 3.14Å; L118-V121 PolarHBondContact O-N 3.23Å; F119-V121 VanDerWaalsContact C-N 3.34Å; F119-V121 PolarHBondContact O-N 3.27Å; V121-H124 WeakPolarHBondContact O-CB 3.23Å; V121-H124 PolarHBondContact O-N 3.42Å; V121-H124 VanDerWaalsContact O-N 3.16Å; V121-E125 WeakPolarHBondContact O-CG 3.14Å; V121-E125 PolarHBondContact O-N 3.17Å |
| 122 | Q | 94.1 | Very high | 88.5 | Confident | 35 Ų | 35 | 37.1 Ų | 37.1 | 16% | 0.164 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.8 | -42.8 | 179.3 | -178.8 | 56.6 | 29.2 | 0 | 0 | 112 | L68 L118 F119 H124 E125 E126 | L68-Q122 HydrophobicContact CB-CG 4.26Å; L68-Q122 HydrophobicContact CD2-CB 3.73Å; L68-Q122 HydrophobicContact CD2-CG 3.45Å; L68-Q122 VanDerWaalsContact CD2-CG 3.45Å; L68-Q122 HydrophobicContact CG-CG 4.48Å; L118-Q122 PolarHBondContact O-N 3.43Å; F119-Q122 PolarHBondContact O-N 3.5Å; Q122-H124 VanDerWaalsContact C-N 3.28Å; Q122-H124 PolarHBondContact O-N 2.62Å; Q122-E125 PolarHBondContact O-N 3.36Å; Q122-E126 PolarHBondContact NE2-OE1 2.97Å; Q122-E126 PolarHBondContact O-N 3.45Å |
| 123 | L | 94.2 | Very high | 86.8 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.3 | -37.5 | 171.4 | -72.5 | -179.5 | 0 | 0 | 0 | 111.8 | F53 L68 F69 Y72 F119 E126 L127 I157 | F53-L123 HydrophobicContact CZ-CD1 4.31Å; F53-L123 HydrophobicContact CZ-CD2 4.46Å; L68-L123 HydrophobicContact CB-CD2 4.39Å; L68-L123 HydrophobicContact CD2-CD2 4.14Å; L68-L123 HydrophobicContact CD2-CG 4.17Å; L68-L123 HydrophobicContact CG-CD2 4.11Å; F69-L123 HydrophobicContact CB-CD2 4.3Å; Y72-L123 HydrophobicContact CD1-CD1 3.94Å; Y72-L123 HydrophobicContact CE1-CD1 4.33Å; F119-L123 HydrophobicContact CD1-CD1 3.91Å; F119-L123 HydrophobicContact CD1-CG 4.48Å; F119-L123 HydrophobicContact CE1-CD1 3.44Å; F119-L123 VanDerWaalsContact CE1-CD1 3.44Å; F119-L123 HydrophobicContact CE1-CG 4.21Å; F119-L123 HydrophobicContact CZ-CD1 4.06Å; F119-L123 PolarHBondContact O-N 3.39Å; L123-E126 PolarHBondContact O-N 2.97Å; L123-L127 HydrophobicContact CB-CD1 4.4Å; L123-L127 WeakPolarHBondContact O-CB 3.06Å; L123-L127 WeakPolarHBondContact O-CD1 3.31Å; L123-L127 WeakPolarHBondContact O-CG 3.17Å; L123-L127 PolarHBondContact O-N 2.75Å; L123-I157 HydrophobicContact CB-CD1 3.94Å; L123-I157 HydrophobicContact CB-CG1 3.95Å; L123-I157 HydrophobicContact CD1-CD1 4.24Å |
| 124 | H | 92.9 | Very high | 84.5 | Confident | 31 Ų | 31 | 41.3 Ų | 41.3 | 14% | 0.144 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.6 | -49.6 | 176.2 | 172.4 | 51.2 | 0 | 0 | 0 | 111.7 | L120 V121 Q122 E126 L127 K128 N153 S155 I157 T158 | L120-H124 WeakPolarHBondContact O-CB 3.34Å; L120-H124 PolarHBondContact O-N 2.96Å; V121-H124 WeakPolarHBondContact O-CB 3.23Å; V121-H124 PolarHBondContact O-N 3.42Å; V121-H124 VanDerWaalsContact O-N 3.16Å; Q122-H124 VanDerWaalsContact C-N 3.28Å; Q122-H124 PolarHBondContact O-N 2.62Å; H124-E126 VanDerWaalsContact C-N 3.33Å; H124-E126 PolarHBondContact O-N 3.4Å; H124-L127 CarbonylContact O-C 3.59Å; H124-L127 PolarHBondContact O-N 2.62Å; H124-K128 VanDerWaalsContact CD2-CE 3.44Å; H124-K128 WeakPolarHBondContact CD2-CE 3.05Å; H124-K128 WeakPolarHBondContact CE1-CE 3.5Å; H124-K128 WeakPolarHBondContact NE2-CE 3.32Å; H124-K128 WeakPolarHBondContact O-CG 3.18Å; H124-K128 PolarHBondContact O-N 2.93Å; H124-N153 PolarHBondContact CE1-O 3.46Å; H124-N153 VanDerWaalsContact CE1-O 3.23Å; H124-S155 PolarHBondContact ND1-OG 3.28Å; H124-I157 HydrophobicContact CB-CB 4.06Å; H124-I157 HydrophobicContact CB-CG1 4.37Å; H124-I157 HydrophobicContact CB-CG2 4.06Å; H124-T158 WeakPolarHBondContact CE1-CG2 3.41Å |
| 125 | E | 90 | Very high | 82 | Confident | 85 Ų | 85 | 40.5 Ų | 40.5 | 40% | 0.397 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -59 | -42.4 | 176 | -61.8 | -52.2 | 139.1 | 0 | 0 | 112.1 | R64 V121 Q122 L127 K128 | R64-E125 PolarHBondContact NH2-O 3.32Å; V121-E125 WeakPolarHBondContact O-CG 3.14Å; V121-E125 PolarHBondContact O-N 3.17Å; Q122-E125 PolarHBondContact O-N 3.36Å; E125-L127 VanDerWaalsContact C-N 3.27Å; E125-L127 PolarHBondContact O-N 2.79Å; E125-K128 WeakPolarHBondContact OE1-CE 3.44Å; E125-K128 IonicContact OE1-NZ 3.87Å; E125-K128 PolarHBondContact OE1-NZ 2.71Å; E125-K128 WeakPolarHBondContact OE2-CE 3.37Å; E125-K128 IonicContact OE2-NZ 2.79Å; E125-K128 PolarHBondContact OE2-NZ 3.34Å |
| 126 | E | 90.4 | Very high | 79.3 | Confident | 14 Ų | 14 | 44.8 Ų | 44.8 | 7% | 0.065 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.9 | -28.1 | 174.6 | -74.2 | -178.3 | -152.2 | 0 | 0 | 112.4 | R64 L66 V67 L68 F69 Q122 L123 H124 | R64-E126 VanDerWaalsContact CZ-O 3.24Å; R64-E126 PolarHBondContact NH1-O 3.27Å; R64-E126 PolarHBondContact NH2-O 3.2Å; L66-E126 WeakPolarHBondContact CA-OE2 3.34Å; L66-E126 HydrophobicContact CD2-CB 4.09Å; L66-E126 WeakPolarHBondContact CD2-O 3.45Å; V67-E126 PolarHBondContact N-OE2 3.01Å; V67-E126 VanDerWaalsContact N-OE2 3.17Å; L68-E126 VanDerWaalsContact CB-OE1 3.32Å; L68-E126 WeakPolarHBondContact CB-OE1 3.38Å; L68-E126 PolarHBondContact N-OE1 3.43Å; L68-E126 PolarHBondContact N-OE2 3.37Å; F69-E126 PolarHBondContact N-OE2 2.87Å; Q122-E126 PolarHBondContact NE2-OE1 2.97Å; Q122-E126 PolarHBondContact O-N 3.45Å; L123-E126 PolarHBondContact O-N 2.97Å; H124-E126 VanDerWaalsContact C-N 3.33Å; H124-E126 PolarHBondContact O-N 3.4Å |
| 127 | L | 88.7 | Confident | 76.7 | Confident | 6 Ų | 6 | 52.2 Ų | 52.2 | 3% | 0.031 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -108.2 | 2.1 | -171.4 | -60.8 | 172.6 | 0 | 0 | 0 | 116.1 | F53 L60 F69 L123 H124 E125 H129 S155 I156 I157 | F53-L127 HydrophobicContact CE2-CD1 4.1Å; F53-L127 HydrophobicContact CZ-CD1 3.77Å; L60-L127 HydrophobicContact CD1-CD2 3.36Å; L60-L127 HydrophobicContact CD2-CD2 3.58Å; L60-L127 HydrophobicContact CG-CD2 4.1Å; F69-L127 HydrophobicContact CB-CD2 4.48Å; F69-L127 HydrophobicContact CD2-CD1 4.1Å; F69-L127 HydrophobicContact CD2-CD2 3.63Å; F69-L127 HydrophobicContact CD2-CG 4.35Å; F69-L127 HydrophobicContact CE2-CD2 4.16Å; F69-L127 HydrophobicContact CG-CD2 4.07Å; L123-L127 HydrophobicContact CB-CD1 4.4Å; L123-L127 WeakPolarHBondContact O-CB 3.06Å; L123-L127 WeakPolarHBondContact O-CD1 3.31Å; L123-L127 WeakPolarHBondContact O-CG 3.17Å; L123-L127 PolarHBondContact O-N 2.75Å; H124-L127 CarbonylContact O-C 3.59Å; H124-L127 PolarHBondContact O-N 2.62Å; E125-L127 VanDerWaalsContact C-N 3.27Å; E125-L127 PolarHBondContact O-N 2.79Å; L127-H129 VanDerWaalsContact C-N 3.3Å; L127-H129 PolarHBondContact O-N 2.95Å; L127-S155 WeakPolarHBondContact O-CB 3.37Å; L127-I156 HydrophobicContact CD1-CG2 3.73Å; L127-I157 HydrophobicContact CD1-CD1 4.42Å; L127-I157 HydrophobicContact CD1-CG1 4.19Å |
| 128 | K | 83.8 | Confident | 73.8 | Confident | 32 Ų | 32 | 51.8 Ų | 51.8 | 14% | 0.139 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -61.5 | -26.3 | 177 | -86.6 | 171.3 | -169.9 | 177.1 | 0 | 116.1 | H124 E125 N154 | H124-K128 VanDerWaalsContact CD2-CE 3.44Å; H124-K128 WeakPolarHBondContact CD2-CE 3.05Å; H124-K128 WeakPolarHBondContact CE1-CE 3.5Å; H124-K128 WeakPolarHBondContact NE2-CE 3.32Å; H124-K128 WeakPolarHBondContact O-CG 3.18Å; H124-K128 PolarHBondContact O-N 2.93Å; E125-K128 WeakPolarHBondContact OE1-CE 3.44Å; E125-K128 IonicContact OE1-NZ 3.87Å; E125-K128 PolarHBondContact OE1-NZ 2.71Å; E125-K128 WeakPolarHBondContact OE2-CE 3.37Å; E125-K128 IonicContact OE2-NZ 2.79Å; E125-K128 PolarHBondContact OE2-NZ 3.34Å; K128-N154 WeakPolarHBondContact CA-O 3.46Å |
| 129 | H | 68.7 | Low | 70.5 | Confident | 73 Ų | 73 | 51.3 Ų | 51.3 | 34% | 0.338 | 26% | 0.262 | S | S | . | . | trans | -119.6 | 103.1 | -177.3 | -50.7 | -33.8 | 0 | 0 | 0 | 109.2 | R64 L127 | R64-H129 VanDerWaalsContact NH1-N 3.17Å; R64-H129 PolarHBondContact NH1-O 3.43Å; L127-H129 VanDerWaalsContact C-N 3.3Å; L127-H129 PolarHBondContact O-N 2.95Å | ||
| 130 | S | 66 | Low | 67.3 | Low | 27 Ų | 27 | 56.6 Ų | 56.6 | 19% | 0.189 | 29% | 0.289 | C | S | . | . | B | Isolated β-bridge | trans | -93.7 | 151.7 | 168.2 | 162.2 | 0 | 0 | 0 | 0 | 109.3 | I59 L132 S133 | I59-S130 VanDerWaalsContact CG2-OG 3.26Å; I59-S130 WeakPolarHBondContact CG2-OG 3.36Å; S130-L132 PolarHBondContact O-N 3.17Å; S130-L132 VanDerWaalsContact O-N 3.08Å; S130-L132 WeakPolarHBondContact OG-CB 3.39Å; S130-L132 PolarHBondContact OG-N 2.86Å; S130-L132 VanDerWaalsContact OG-N 3.1Å; S130-S133 WeakPolarHBondContact O-CB 3.08Å; S130-S133 PolarHBondContact O-N 3.44Å; S130-S133 PolarHBondContact O-OG 3.44Å |
| 131 | R | 62.1 | Low | 64 | Low | 95 Ų | 95 | 65.6 Ų | 65.6 | 36% | 0.358 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -21.9 | 171.2 | -68.9 | 177.4 | 155.9 | -171.1 | -8 | 113 | I59 D61 P62 S133 R512 L515 M518 | I59-R131 PolarHBondContact O-N 3.31Å; D61-R131 HydrophobicContact CB-CG 3.95Å; D61-R131 IonicContact OD1-NE 3.29Å; P62-R131 VanDerWaalsContact CD-CZ 3.42Å; P62-R131 VanDerWaalsContact CD-NH2 3.26Å; R131-S133 VanDerWaalsContact C-N 3.31Å; R131-R512 PolarHBondContact O-NH2 3.39Å; R131-L515 HydrophobicContact CB-CD2 4.03Å; R131-M518 PolarHBondContact NH1-SD 3.05Å; R131-M518 VanDerWaalsContact NH1-SD 3.39Å |
| 132 | L | 64.4 | Low | 60.9 | Low | 14 Ų | 14 | 68.9 Ų | 68.9 | 7% | 0.073 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -18.7 | 175.9 | -58.6 | 175.7 | 0 | 0 | 0 | 113.2 | I59 S130 N134 E503 F504 R512 L515 L522 | I59-L132 HydrophobicContact CG2-CD1 3.44Å; I59-L132 VanDerWaalsContact CG2-CD1 3.44Å; I59-L132 HydrophobicContact CG2-CG 3.77Å; S130-L132 PolarHBondContact O-N 3.17Å; S130-L132 VanDerWaalsContact O-N 3.08Å; S130-L132 WeakPolarHBondContact OG-CB 3.39Å; S130-L132 PolarHBondContact OG-N 2.86Å; S130-L132 VanDerWaalsContact OG-N 3.1Å; L132-N134 PolarHBondContact O-N 3.21Å; L132-N134 VanDerWaalsContact O-N 3.17Å; L132-E503 HydrophobicContact CB-CB 3.89Å; L132-E503 HydrophobicContact CD1-CB 4.08Å; L132-E503 WeakPolarHBondContact CD1-OE2 3.47Å; L132-E503 HydrophobicContact CD2-CB 4.25Å; L132-E503 HydrophobicContact CG-CB 4.28Å; L132-F504 HydrophobicContact CD2-CB 3.89Å; L132-F504 HydrophobicContact CD2-CD1 4.46Å; L132-R512 PolarHBondContact O-NH1 3.45Å; L132-L515 HydrophobicContact CD2-CD1 3.7Å; L132-L522 HydrophobicContact CD2-CD2 4.22Å |
| 133 | S | 60 | Low | 57.6 | Low | 48 Ų | 48 | 73.8 Ų | 73.8 | 34% | 0.336 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -68.2 | 114 | 176 | 66.9 | 0 | 0 | 0 | 0 | 110.7 | S130 R131 P135 | S130-S133 WeakPolarHBondContact O-CB 3.08Å; S130-S133 PolarHBondContact O-N 3.44Å; S130-S133 PolarHBondContact O-OG 3.44Å; R131-S133 VanDerWaalsContact C-N 3.31Å; S133-P135 WeakPolarHBondContact O-CD 3.2Å |
| 134 | N | 48.5 | Very low | 54.5 | Low | 67 Ų | 67 | 79.2 Ų | 79.2 | 36% | 0.358 | 41% | 0.405 | S | S | . | . | trans | -68.5 | 120.6 | -179.9 | -179 | -18.7 | 0 | 0 | 0 | 109.8 | L132 D136 | L132-N134 PolarHBondContact O-N 3.21Å; L132-N134 VanDerWaalsContact O-N 3.17Å; N134-D136 VanDerWaalsContact C-N 3.28Å; N134-D136 PolarHBondContact O-N 3.42Å; N134-D136 WeakPolarHBondContact OD1-CB 3.3Å; N134-D136 PolarHBondContact OD1-N 2.99Å; N134-D136 PolarHBondContact OD1-OD2 2.9Å | ||
| 135 | P | 42.4 | Very low | 51.3 | Low | 59 Ų | 59 | 83.9 Ų | 83.9 | 38% | 0.383 | 44% | 0.435 | S | S | . | . | G | 310 helix | trans | -60.5 | -32.4 | -178.6 | 24 | -33.8 | 0 | 0 | 0 | 113.7 | S133 K137 K138 | S133-P135 WeakPolarHBondContact O-CD 3.2Å; P135-K137 VanDerWaalsContact C-N 3.25Å; P135-K137 PolarHBondContact O-N 2.85Å; P135-K138 WeakPolarHBondContact O-CB 3.35Å; P135-K138 WeakPolarHBondContact O-CG 3.29Å; P135-K138 PolarHBondContact O-N 3.16Å; P135-K138 VanDerWaalsContact O-N 3.17Å |
| 136 | D | 41 | Very low | 48.3 | Very low | 90 Ų | 90 | 86.6 Ų | 86.6 | 48% | 0.481 | 46% | 0.458 | S | S | . | . | G | 310 helix | trans | -69.2 | -21 | -168.7 | -58.8 | -36.7 | 0 | 0 | 0 | 113.6 | N134 K138 | N134-D136 VanDerWaalsContact C-N 3.28Å; N134-D136 PolarHBondContact O-N 3.42Å; N134-D136 WeakPolarHBondContact OD1-CB 3.3Å; N134-D136 PolarHBondContact OD1-N 2.99Å; N134-D136 PolarHBondContact OD1-OD2 2.9Å; D136-K138 PolarHBondContact O-N 2.96Å |
| 137 | K | 41 | Very low | 45.3 | Very low | 163 Ų | 163 | 89.3 Ų | 89.3 | 71% | 0.709 | 49% | 0.49 | S | S | * | . | G | 310 helix | trans | -72.3 | -10 | 177.1 | -72.3 | -173.8 | 177 | 177.1 | 0 | 114 | P135 G139 | P135-K137 VanDerWaalsContact C-N 3.25Å; P135-K137 PolarHBondContact O-N 2.85Å; K137-G139 PolarHBondContact O-N 2.88Å; K137-G139 VanDerWaalsContact O-N 3.12Å |
| 138 | K | 36 | Very low | 42.4 | Very low | 138 Ų | 138 | 93.9 Ų | 93.9 | 60% | 0.6 | 52% | 0.523 | S | S | * | . | G | 310 helix | trans | -69.9 | -1.7 | -180 | -68 | 174.8 | 179.1 | 169.3 | 0 | 114.5 | P135 D136 | P135-K138 WeakPolarHBondContact O-CB 3.35Å; P135-K138 WeakPolarHBondContact O-CG 3.29Å; P135-K138 PolarHBondContact O-N 3.16Å; P135-K138 VanDerWaalsContact O-N 3.17Å; D136-K138 PolarHBondContact O-N 2.96Å |
| 139 | G | 28.6 | Very low | 40 | Very low | 30 Ų | 30 | 96.4 Ų | 96.4 | 31% | 0.309 | 54% | 0.544 | S | S | . | . | G | 310 helix | trans | -95.1 | -28.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 117 | K137 K141 | K137-G139 PolarHBondContact O-N 2.88Å; K137-G139 VanDerWaalsContact O-N 3.12Å; G139-K141 PolarHBondContact O-N 3.19Å; G139-K141 VanDerWaalsContact O-N 3.13Å |
| 140 | I | 29.2 | Very low | 38.6 | Very low | 111 Ų | 111 | 98.1 Ų | 98.1 | 57% | 0.569 | 56% | 0.556 | S | S | * | * | trans | -89 | 89.4 | -164.5 | -47.9 | -179.9 | 0 | 0 | 0 | 112.1 | Q142 | I140-Q142 VanDerWaalsContact C-N 3.3Å; I140-Q142 HydrophobicContact CG2-CG 3.72Å; I140-Q142 PolarHBondContact O-N 3.32Å | ||
| 141 | K | 26.9 | Very low | 37.8 | Very low | 196 Ų | 196 | 102.7 Ų | 102.7 | 85% | 0.852 | 58% | 0.578 | S | S | * | * | trans | -68.9 | 85.6 | 161.5 | -75.9 | -177.4 | 177.8 | 174.5 | 0 | 110.4 | G139 T143 | G139-K141 PolarHBondContact O-N 3.19Å; G139-K141 VanDerWaalsContact O-N 3.13Å; K141-T143 PolarHBondContact O-N 3.19Å | ||
| 142 | Q | 29.4 | Very low | 37.5 | Very low | 132 Ų | 132 | 100 Ų | 100 | 62% | 0.617 | 57% | 0.574 | S | S | * | * | trans | -64.3 | 107.9 | 171.1 | -68.1 | -170.8 | -1 | 0 | 0 | 110.2 | I140 T144 | I140-Q142 VanDerWaalsContact C-N 3.3Å; I140-Q142 HydrophobicContact CG2-CG 3.72Å; I140-Q142 PolarHBondContact O-N 3.32Å; Q142-T144 PolarHBondContact O-N 3.44Å | ||
| 143 | T | 25.5 | Very low | 38 | Very low | 138 Ų | 138 | 103 Ų | 103 | 85% | 0.847 | 59% | 0.59 | S | S | * | * | trans | -78.6 | 63.6 | 175.3 | 52.1 | 0 | 0 | 0 | 0 | 111.4 | K141 | K141-T143 PolarHBondContact O-N 3.19Š| ||
| 144 | T | 29.4 | Very low | 39.1 | Very low | 114 Ų | 114 | 102.8 Ų | 102.8 | 70% | 0.699 | 59% | 0.585 | S | S | * | * | trans | -137.6 | 140.4 | 173.2 | 41.5 | 0 | 0 | 0 | 0 | 112.1 | Q142 | Q142-T144 PolarHBondContact O-N 3.44Š| ||
| 145 | T | 25.5 | Very low | 41.1 | Very low | 129 Ų | 129 | 100 Ų | 100 | 79% | 0.791 | 57% | 0.571 | S | S | * | * | trans | -63.7 | 146.7 | -173.4 | 44.7 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 146 | T | 27.3 | Very low | 43.4 | Very low | 142 Ų | 142 | 97.8 Ų | 97.8 | 87% | 0.871 | 56% | 0.556 | S | S | * | * | S | Bend | trans | 62.5 | 105 | 163.3 | 54.6 | 0 | 0 | 0 | 0 | 118.2 | ||
| 147 | G | 27.2 | Very low | 46 | Very low | 72 Ų | 72 | 93.5 Ų | 93.5 | 74% | 0.742 | 53% | 0.533 | S | S | * | . | trans | 98 | 9 | 145.2 | 0 | 0 | 0 | 0 | 0 | 118.8 | S149 | G147-S149 PolarHBondContact O-N 3.26Š| ||
| 148 | S | 27.8 | Very low | 48.5 | Very low | 102 Ų | 102 | 86.1 Ų | 86.1 | 71% | 0.713 | 50% | 0.501 | S | S | * | . | trans | -73.6 | 121.6 | 175.5 | -168.4 | 0 | 0 | 0 | 0 | 111.5 | D150 | S148-D150 PolarHBondContact O-N 3.33Š| ||
| 149 | S | 32.9 | Very low | 51.2 | Low | 84 Ų | 84 | 81.6 Ų | 81.6 | 59% | 0.587 | 48% | 0.484 | S | S | * | . | trans | -71.6 | 117.4 | 176.8 | -173.1 | 0 | 0 | 0 | 0 | 110.2 | G147 N151 | G147-S149 PolarHBondContact O-N 3.26Å; S149-N151 PolarHBondContact O-N 2.83Å | ||
| 150 | D | 39.4 | Very low | 54.4 | Low | 110 Ų | 110 | 80.2 Ų | 80.2 | 59% | 0.588 | 47% | 0.469 | S | S | * | . | trans | -76.6 | 93.7 | 178.6 | -156 | 8.8 | 0 | 0 | 0 | 108.9 | S148 S152 N153 | S148-D150 PolarHBondContact O-N 3.33Å; D150-S152 PolarHBondContact O-N 3.13Å; D150-N153 PolarHBondContact O-N 3.34Å | ||
| 151 | N | 50 | Low | 57.6 | Low | 122 Ų | 122 | 74.9 Ų | 74.9 | 65% | 0.652 | 44% | 0.442 | S | S | * | . | G | 310 helix | trans | -63.6 | -8.4 | -165.1 | -151.4 | 44.4 | 0 | 0 | 0 | 114 | S149 N153 N154 | S149-N151 PolarHBondContact O-N 2.83Å; N151-N153 VanDerWaalsContact C-N 3.25Å; N151-N153 PolarHBondContact O-N 2.98Å; N151-N154 PolarHBondContact OD1-ND2 3.03Å |
| 152 | S | 55.3 | Low | 60.9 | Low | 40 Ų | 40 | 68.4 Ų | 68.4 | 28% | 0.28 | 42% | 0.415 | S | S | . | . | G | 310 helix | trans | -71.9 | -12.6 | 172.4 | 62.1 | 0 | 0 | 0 | 0 | 114.6 | D150 | D150-S152 PolarHBondContact O-N 3.13Š|
| 153 | N | 74.2 | Confident | 64.1 | Low | 75 Ų | 75 | 62.1 Ų | 62.1 | 40% | 0.401 | 39% | 0.386 | S | S | . | . | G | 310 helix | trans | -108.2 | 11.5 | -177.1 | -69.2 | -49.8 | 0 | 0 | 0 | 113.6 | H124 D150 N151 | H124-N153 PolarHBondContact CE1-O 3.46Å; H124-N153 VanDerWaalsContact CE1-O 3.23Å; D150-N153 PolarHBondContact O-N 3.34Å; N151-N153 VanDerWaalsContact C-N 3.25Å; N151-N153 PolarHBondContact O-N 2.98Å |
| 154 | N | 84.5 | Confident | 67.6 | Low | 44 Ų | 44 | 59.9 Ų | 59.9 | 24% | 0.235 | 36% | 0.361 | C | S | . | . | trans | -94.1 | 154.3 | 179.2 | -65.8 | -27.9 | 0 | 0 | 0 | 111.8 | K128 N151 | K128-N154 WeakPolarHBondContact CA-O 3.46Å; N151-N154 PolarHBondContact OD1-ND2 3.03Å | ||
| 155 | S | 89.9 | Confident | 70.8 | Confident | 9 Ų | 9 | 54.7 Ų | 54.7 | 6% | 0.063 | 33% | 0.329 | C | S | . | . | trans | -158.8 | 167.8 | -179.5 | 64.7 | 0 | 0 | 0 | 0 | 109.5 | H124 L127 I157 T158 D159 | H124-S155 PolarHBondContact ND1-OG 3.28Å; L127-S155 WeakPolarHBondContact O-CB 3.37Å; S155-I157 PolarHBondContact O-N 3.1Å; S155-I157 VanDerWaalsContact O-N 3.07Å; S155-I157 PolarHBondContact OG-N 2.76Å; S155-T158 PolarHBondContact N-OG1 2.99Å; S155-T158 PolarHBondContact O-N 3.02Å; S155-T158 VanDerWaalsContact O-N 3.15Å; S155-T158 PolarHBondContact O-OG1 3.2Å; S155-T158 PolarHBondContact OG-N 2.92Å; S155-T158 PolarHBondContact OG-OG1 3.08Å; S155-D159 WeakPolarHBondContact O-CB 3.43Å; S155-D159 PolarHBondContact O-N 3.13Å | ||
| 156 | I | 90.9 | Very high | 74.2 | Confident | 12 Ų | 12 | 49.2 Ų | 49.2 | 6% | 0.062 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -53.9 | -31.4 | 171.8 | -172.4 | 63.2 | 0 | 0 | 0 | 113.1 | F52 F53 L127 D159 V160 | F52-I156 HydrophobicContact CB-CD1 3.85Å; F52-I156 HydrophobicContact CB-CG1 3.81Å; F52-I156 HydrophobicContact CD1-CB 3.83Å; F52-I156 HydrophobicContact CD1-CD1 4.32Å; F52-I156 HydrophobicContact CD1-CG1 3.67Å; F52-I156 HydrophobicContact CD1-CG2 3.78Å; F52-I156 HydrophobicContact CD2-CB 4.3Å; F52-I156 HydrophobicContact CD2-CD1 3.67Å; F52-I156 HydrophobicContact CD2-CG1 3.95Å; F52-I156 HydrophobicContact CE1-CB 3.85Å; F52-I156 HydrophobicContact CE1-CG1 4.22Å; F52-I156 HydrophobicContact CE1-CG2 3.72Å; F52-I156 HydrophobicContact CE2-CB 4.31Å; F52-I156 HydrophobicContact CE2-CD1 4.31Å; F52-I156 HydrophobicContact CE2-CG1 4.45Å; F52-I156 HydrophobicContact CG-CB 4.07Å; F52-I156 HydrophobicContact CG-CD1 3.68Å; F52-I156 HydrophobicContact CG-CG1 3.51Å; F52-I156 HydrophobicContact CG-CG2 4.49Å; F52-I156 HydrophobicContact CZ-CB 4.1Å; F52-I156 HydrophobicContact CZ-CG2 4.38Å; F53-I156 HydrophobicContact CE2-CG2 4.18Å; L127-I156 HydrophobicContact CD1-CG2 3.73Å; I156-D159 PolarHBondContact O-N 2.86Å; I156-V160 HydrophobicContact CD1-CG2 3.79Å; I156-V160 HydrophobicContact CG1-CG2 4.12Å; I156-V160 WeakPolarHBondContact O-CB 3.13Å; I156-V160 VanDerWaalsContact O-CG2 3.28Å; I156-V160 WeakPolarHBondContact O-CG2 3.39Å; I156-V160 PolarHBondContact O-N 2.67Å |
| 157 | I | 94.7 | Very high | 77.5 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -67.2 | -46.1 | -179.4 | -57.4 | -58 | 0 | 0 | 0 | 111.3 | L49 L120 L123 H124 L127 S155 F161 M185 | L49-I157 HydrophobicContact CD1-CD1 3.6Å; L120-I157 HydrophobicContact CB-CG2 4.14Å; L120-I157 HydrophobicContact CD2-CD1 4.18Å; L120-I157 HydrophobicContact CD2-CG2 4.08Å; L123-I157 HydrophobicContact CB-CD1 3.94Å; L123-I157 HydrophobicContact CB-CG1 3.95Å; L123-I157 HydrophobicContact CD1-CD1 4.24Å; H124-I157 HydrophobicContact CB-CB 4.06Å; H124-I157 HydrophobicContact CB-CG1 4.37Å; H124-I157 HydrophobicContact CB-CG2 4.06Å; L127-I157 HydrophobicContact CD1-CD1 4.42Å; L127-I157 HydrophobicContact CD1-CG1 4.19Å; S155-I157 PolarHBondContact O-N 3.1Å; S155-I157 VanDerWaalsContact O-N 3.07Å; S155-I157 PolarHBondContact OG-N 2.76Å; I157-F161 PolarHBondContact O-N 3.38Å; I157-M185 HydrophobicContact CG2-CE 3.47Å; I157-M185 VanDerWaalsContact CG2-CE 3.47Å |
| 158 | T | 94 | Very high | 80.7 | Confident | 8 Ų | 8 | 40.2 Ų | 40.2 | 5% | 0.049 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -69.3 | -39.2 | 175.1 | 45.8 | 0 | 0 | 0 | 0 | 111.7 | H124 S155 V160 Q162 | H124-T158 WeakPolarHBondContact CE1-CG2 3.41Å; S155-T158 PolarHBondContact N-OG1 2.99Å; S155-T158 PolarHBondContact O-N 3.02Å; S155-T158 VanDerWaalsContact O-N 3.15Å; S155-T158 PolarHBondContact O-OG1 3.2Å; S155-T158 PolarHBondContact OG-N 2.92Å; S155-T158 PolarHBondContact OG-OG1 3.08Å; T158-V160 VanDerWaalsContact C-N 3.28Å; T158-V160 PolarHBondContact O-N 3.17Å; T158-Q162 HydrophobicContact CG2-CB 4.41Å; T158-Q162 WeakPolarHBondContact O-CA 3.46Å; T158-Q162 WeakPolarHBondContact O-CB 3.47Å; T158-Q162 PolarHBondContact O-N 2.9Å |
| 159 | D | 92.1 | Very high | 84 | Confident | 44 Ų | 44 | 36.3 Ų | 36.3 | 24% | 0.235 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57.3 | -39.7 | 177.2 | -84.5 | 25.8 | 0 | 0 | 0 | 112.4 | S155 I156 R490 W494 | S155-D159 WeakPolarHBondContact O-CB 3.43Å; S155-D159 PolarHBondContact O-N 3.13Å; I156-D159 PolarHBondContact O-N 2.86Å; D159-R490 IonicContact OD2-CZ 3.11Å; D159-R490 IonicContact OD2-NE 2.77Å; D159-R490 IonicContact OD2-NH2 2.75Å; D159-R490 PolarHBondContact OD2-NH2 3.18Å; D159-W494 HydrophobicContact CB-CH2 3.63Å; D159-W494 HydrophobicContact CB-CZ2 3.82Å |
| 160 | V | 95.4 | Very high | 87 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -87 | -44.7 | -176.8 | 174.1 | 0 | 0 | 0 | 0 | 113 | H48 I156 T158 E354 I355 | H48-V160 HydrophobicContact CB-CB 4.41Å; H48-V160 HydrophobicContact CB-CG1 3.87Å; H48-V160 HydrophobicContact CB-CG2 3.6Å; I156-V160 HydrophobicContact CD1-CG2 3.79Å; I156-V160 HydrophobicContact CG1-CG2 4.12Å; I156-V160 WeakPolarHBondContact O-CB 3.13Å; I156-V160 VanDerWaalsContact O-CG2 3.28Å; I156-V160 WeakPolarHBondContact O-CG2 3.39Å; I156-V160 PolarHBondContact O-N 2.67Å; T158-V160 VanDerWaalsContact C-N 3.28Å; T158-V160 PolarHBondContact O-N 3.17Å; V160-E354 PolarHBondContact O-N 3.39Å; V160-E354 VanDerWaalsContact O-N 3.15Å; V160-I355 HydrophobicContact CG1-CB 3.96Å; V160-I355 HydrophobicContact CG1-CG1 3.58Å; V160-I355 PolarHBondContact O-N 3.15Å |
| 161 | F | 97.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -109.9 | -13.5 | -167.6 | -64.2 | -84.8 | 0 | 0 | 0 | 114.9 | L43 C46 L49 L120 I157 G163 M185 P353 I355 F457 | L43-F161 HydrophobicContact CD2-CE1 4.2Å; L43-F161 HydrophobicContact CD2-CE2 4.33Å; L43-F161 HydrophobicContact CD2-CZ 3.61Å; C46-F161 HydrophobicContact CB-CZ 4.4Å; L49-F161 HydrophobicContact CD1-CE2 4.47Å; L49-F161 HydrophobicContact CD2-CE2 4.19Å; L49-F161 HydrophobicContact CD2-CZ 4.39Å; L120-F161 HydrophobicContact CD1-CG 4.47Å; L120-F161 HydrophobicContact CD2-CD2 4.17Å; L120-F161 HydrophobicContact CD2-CE2 3.92Å; L120-F161 HydrophobicContact CD2-CZ 4.43Å; I157-F161 PolarHBondContact O-N 3.38Å; F161-G163 PolarHBondContact O-N 2.86Å; F161-M185 HydrophobicContact CB-CE 3.57Å; F161-M185 HydrophobicContact CB-SD 4.26Å; F161-M185 HydrophobicContact CG-CE 4.48Å; F161-P353 WeakPolarHBondContact O-CB 3.42Å; F161-I355 HydrophobicContact CD1-CB 3.86Å; F161-I355 HydrophobicContact CD1-CG2 3.8Å; F161-I355 HydrophobicContact CE1-CB 3.81Å; F161-I355 HydrophobicContact CE1-CG2 3.47Å; F161-I355 VanDerWaalsContact CE1-CG2 3.47Å; F161-I355 HydrophobicContact CZ-CG2 4.43Å; F161-F457 HydrophobicContact CE1-CD1 4.48Å; F161-F457 HydrophobicContact CE1-CE1 4.34Å |
| 162 | Q | 96.7 | Very high | 91.9 | Very high | 60 Ų | 60 | 30.9 Ų | 30.9 | 28% | 0.28 | 15% | 0.154 | S | C | . | . | trans | -82 | 110.5 | -174.2 | -170.9 | -179.1 | -128.7 | 0 | 0 | 112.1 | T158 S183 F184 M185 | T158-Q162 HydrophobicContact CG2-CB 4.41Å; T158-Q162 WeakPolarHBondContact O-CA 3.46Å; T158-Q162 WeakPolarHBondContact O-CB 3.47Å; T158-Q162 PolarHBondContact O-N 2.9Å; Q162-S183 PolarHBondContact OE1-OG 3.41Å; Q162-F184 CarbonylContact C-O 3.57Å; Q162-F184 WeakPolarHBondContact CA-O 3.33Å; Q162-M185 HydrophobicContact CB-SD 3.82Å; Q162-M185 HydrophobicContact CG-SD 4.33Å | ||
| 163 | G | 96.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 166.9 | 160.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | F161 S183 F184 A351 | F161-G163 PolarHBondContact O-N 2.86Å; G163-S183 WeakPolarHBondContact O-CA 3.49Å; G163-F184 VanDerWaalsContact C-CE1 3.43Å; G163-F184 PolarHBondContact N-O 3.07Å; G163-F184 PolarHBondContact O-N 3.48Å; G163-A351 WeakPolarHBondContact CA-O 2.99Å |
| 164 | R | 97.4 | Very high | 94.8 | Very high | 90 Ų | 90 | 30.1 Ų | 30.1 | 34% | 0.34 | 15% | 0.154 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 141 | 172 | -63.2 | -179.3 | -68.8 | 121.5 | -1.4 | 110.4 | E181 V350 A351 | R164-E181 WeakPolarHBondContact CD-OE1 3.14Å; R164-E181 IonicContact CZ-OE1 2.91Å; R164-E181 IonicContact NE-OE1 3.65Å; R164-E181 IonicContact NH1-OE1 2.66Å; R164-E181 PolarHBondContact NH1-OE1 3.25Å; R164-E181 IonicContact NH1-OE2 3.9Å; R164-V350 HydrophobicContact CB-CG1 3.73Å; R164-V350 PolarHBondContact O-N 3Å; R164-A351 HydrophobicContact CB-CB 3.97Å; R164-A351 HydrophobicContact CG-CB 4.34Å; R164-A351 PolarHBondContact N-O 3.25Å; R164-A351 PolarHBondContact O-N 3.01Å; R164-A351 VanDerWaalsContact O-N 3.08Å |
| 165 | L | 97.3 | Very high | 95.3 | Very high | 5 Ų | 5 | 32.6 Ų | 32.6 | 3% | 0.026 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 160.1 | 175.9 | 64.5 | 72.2 | 0 | 0 | 0 | 111.5 | E181 E182 F184 L187 F347 R348 L349 | L165-E181 CarbonylContact O-C 3.55Å; L165-E181 WeakPolarHBondContact O-CA 3.16Å; L165-E182 HydrophobicContact CD1-CB 3.89Å; L165-E182 HydrophobicContact CD1-CG 4.42Å; L165-E182 PolarHBondContact N-O 3.07Å; L165-E182 PolarHBondContact O-N 3.19Å; L165-F184 HydrophobicContact CB-CD1 4.4Å; L165-F184 HydrophobicContact CB-CE1 4.32Å; L165-F184 HydrophobicContact CD2-CD1 4.02Å; L165-F184 HydrophobicContact CD2-CE1 4.44Å; L165-F184 HydrophobicContact CG-CD1 4.15Å; L165-L187 HydrophobicContact CD2-CD2 4.47Å; L165-F347 HydrophobicContact CD1-CD1 3.59Å; L165-F347 HydrophobicContact CD1-CE1 4Å; L165-F347 HydrophobicContact CD2-CD1 4.18Å; L165-F347 HydrophobicContact CD2-CG 4.47Å; L165-R348 CarbonylContact C-O 3.55Å; L165-R348 WeakPolarHBondContact CA-O 3.32Å; L165-R348 WeakPolarHBondContact CB-O 3.44Å; L165-L349 HydrophobicContact CB-CD2 4.46Å |
| 166 | I | 97 | Very high | 95.5 | Very high | 15 Ų | 15 | 37.4 Ų | 37.4 | 8% | 0.077 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 114.2 | 170.3 | -66.2 | 168.4 | 0 | 0 | 0 | 108.3 | N179 R180 F347 R348 V350 H391 | I166-N179 HydrophobicContact CG2-CB 3.99Å; I166-R180 CarbonylContact C-O 3.59Å; I166-R180 WeakPolarHBondContact CA-O 3.03Å; I166-F347 WeakPolarHBondContact O-CA 3.47Å; I166-R348 PolarHBondContact N-O 2.88Å; I166-R348 PolarHBondContact O-N 3Å; I166-V350 HydrophobicContact CD1-CB 4.09Å; I166-V350 HydrophobicContact CD1-CG1 4.42Å; I166-V350 HydrophobicContact CD1-CG2 4.07Å; I166-V350 HydrophobicContact CG1-CB 4.23Å; I166-V350 HydrophobicContact CG1-CG1 4.14Å; I166-H391 HydrophobicContact CD1-CB 4.48Å; I166-H391 WeakPolarHBondContact CD1-ND1 3.38Å |
| 167 | S | 95.7 | Very high | 95.7 | Very high | 7 Ų | 7 | 41.4 Ų | 41.4 | 5% | 0.049 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 111.9 | 166.9 | -165 | 0 | 0 | 0 | 0 | 109.4 | N179 R180 K345 F347 | S167-N179 CarbonylContact O-C 3.51Å; S167-N179 WeakPolarHBondContact O-CA 3.26Å; S167-R180 PolarHBondContact N-O 3.17Å; S167-R180 PolarHBondContact O-N 2.97Å; S167-K345 WeakPolarHBondContact OG-CE 3.36Å; S167-F347 WeakPolarHBondContact OG-CE1 3.29Å |
| 168 | S | 96.1 | Very high | 95.7 | Very high | 18 Ų | 18 | 43.9 Ų | 43.9 | 13% | 0.126 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 123.1 | 178.6 | -59.6 | 0 | 0 | 0 | 0 | 109.7 | N179 K345 Q346 | S168-N179 PolarHBondContact OG-OD1 3.34Å; S168-K345 CarbonylContact O-C 3.51Å; S168-K345 WeakPolarHBondContact O-CA 3.36Å; S168-Q346 PolarHBondContact N-O 3.47Å; S168-Q346 PolarHBondContact O-N 2.99Å |
| 169 | V | 96.1 | Very high | 95.7 | Very high | 20 Ų | 20 | 47.4 Ų | 47.4 | 12% | 0.121 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 118.3 | 176.5 | -173.9 | 0 | 0 | 0 | 0 | 110.7 | L177 S178 L326 Y332 L344 K345 | V169-L177 CarbonylContact O-C 3.57Å; V169-L177 WeakPolarHBondContact O-CA 3.35Å; V169-S178 PolarHBondContact N-O 2.94Å; V169-S178 PolarHBondContact O-N 3.12Å; V169-L326 HydrophobicContact CG1-CD1 4.21Å; V169-Y332 HydrophobicContact CG1-CD1 3.62Å; V169-Y332 HydrophobicContact CG1-CD2 3.88Å; V169-Y332 HydrophobicContact CG1-CE1 3.57Å; V169-Y332 HydrophobicContact CG1-CE2 3.84Å; V169-Y332 HydrophobicContact CG1-CG 3.76Å; V169-L344 CarbonylContact C-O 3.59Å; V169-L344 WeakPolarHBondContact CA-O 3.47Å; V169-K345 HydrophobicContact CG2-CB 4.32Å; V169-K345 HydrophobicContact CG2-CG 4.11Å |
| 170 | R | 96.8 | Very high | 95.9 | Very high | 119 Ų | 119 | 51.7 Ų | 51.7 | 45% | 0.449 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 125.4 | 175.8 | -169.7 | -170.2 | -55.4 | -147.8 | 6.5 | 110.4 | L172 L177 G343 L344 | R170-L172 PolarHBondContact O-N 2.84Å; R170-L177 HydrophobicContact CB-CD1 4.17Å; R170-G343 CarbonylContact O-C 3.56Å; R170-G343 WeakPolarHBondContact O-CA 3.38Å; R170-L344 HydrophobicContact CB-CB 4.46Å; R170-L344 PolarHBondContact N-O 3.15Å; R170-L344 PolarHBondContact O-N 2.86Å |
| 171 | C | 96.4 | Very high | 95.9 | Very high | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.007 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 126.2 | 172.3 | -161.9 | 0 | 0 | 0 | 0 | 112.1 | S173 C174 S175 R176 Y332 | C171-S173 VanDerWaalsContact C-N 3.31Å; C171-S173 PolarHBondContact SG-N 2.78Å; C171-S173 VanDerWaalsContact SG-N 3.44Å; C171-C174 VanDerWaalsContact CB-SG 3.59Å; C171-C174 VanDerWaalsContact SG-SG 3.61Å; C171-S175 WeakPolarHBondContact O-CA 3.44Å; C171-S175 PolarHBondContact O-N 2.68Å; C171-R176 HydrophobicContact CB-CB 4.48Å; C171-R176 PolarHBondContact N-O 2.97Å; C171-Y332 WeakPolarHBondContact CA-OH 3.37Å; C171-Y332 WeakPolarHBondContact CB-OH 3.44Å; C171-Y332 PolarHBondContact N-OH 2.76Å |
| 172 | L | 95.1 | Very high | 95.7 | Very high | 82 Ų | 82 | 58.5 Ų | 58.5 | 43% | 0.429 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -13.3 | 171.5 | -67.2 | 178.2 | 0 | 0 | 0 | 113.2 | R170 E325 N342 L344 | R170-L172 PolarHBondContact O-N 2.84Å; L172-E325 HydrophobicContact CD1-CG 4.33Å; L172-N342 HydrophobicContact CB-CB 4.36Å; L172-N342 HydrophobicContact CD1-CB 4.07Å; L172-N342 PolarHBondContact N-O 2.83Å; L172-L344 HydrophobicContact CD1-CG 4.44Å; L172-L344 HydrophobicContact CD2-CD1 4.02Å; L172-L344 HydrophobicContact CD2-CG 4.02Å; L172-L344 HydrophobicContact CG-CG 4.43Å |
| 173 | S | 94.2 | Very high | 95.7 | Very high | 64 Ų | 64 | 59 Ų | 59 | 45% | 0.448 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -30.2 | 174.5 | -58.3 | 0 | 0 | 0 | 0 | 115.1 | C171 R339 | C171-S173 VanDerWaalsContact C-N 3.31Å; C171-S173 PolarHBondContact SG-N 2.78Å; C171-S173 VanDerWaalsContact SG-N 3.44Å; S173-R339 PolarHBondContact OG-NH2 2.88Å |
| 174 | C | 95.8 | Very high | 95.6 | Very high | 34 Ų | 34 | 60 Ų | 60 | 23% | 0.23 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -139.2 | 8.6 | -173.4 | 75.3 | 0 | 0 | 0 | 0 | 115 | C171 R176 C334 C337 | C171-C174 VanDerWaalsContact CB-SG 3.59Å; C171-C174 VanDerWaalsContact SG-SG 3.61Å; C174-R176 PolarHBondContact O-N 2.87Å; C174-C334 VanDerWaalsContact SG-SG 3.69Å; C174-C337 PolarHBondContact SG-SG 2.98Å |
| 175 | S | 95.1 | Very high | 95.5 | Very high | 96 Ų | 96 | 57.9 Ų | 57.9 | 67% | 0.671 | 30% | 0.302 | S | S | * | . | trans | 56.1 | 6.7 | -179.8 | -50.9 | 0 | 0 | 0 | 0 | 116.6 | C171 L177 | C171-S175 WeakPolarHBondContact O-CA 3.44Å; C171-S175 PolarHBondContact O-N 2.68Å; S175-L177 PolarHBondContact O-N 2.99Å | ||
| 176 | R | 94.9 | Very high | 95.5 | Very high | 110 Ų | 110 | 58.9 Ų | 58.9 | 42% | 0.415 | 31% | 0.307 | S | S | . | . | trans | -58.9 | 121.6 | 172.4 | 176.5 | 172 | 176.5 | 179.2 | 1.6 | 109.4 | C171 C174 G335 | C171-R176 HydrophobicContact CB-CB 4.48Å; C171-R176 PolarHBondContact N-O 2.97Å; C174-R176 PolarHBondContact O-N 2.87Å; R176-G335 VanDerWaalsContact NH1-C 3.31Å; R176-G335 PolarHBondContact NH1-O 3.38Å | ||
| 177 | L | 95.2 | Very high | 95.5 | Very high | 96 Ų | 96 | 58.3 Ų | 58.3 | 50% | 0.503 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 139 | 164.9 | -169.4 | 66.7 | 0 | 0 | 0 | 109.1 | V169 R170 S175 N179 | V169-L177 CarbonylContact O-C 3.57Å; V169-L177 WeakPolarHBondContact O-CA 3.35Å; R170-L177 HydrophobicContact CB-CD1 4.17Å; S175-L177 PolarHBondContact O-N 2.99Å; L177-N179 WeakPolarHBondContact CG-OD1 3.41Å |
| 178 | S | 94.1 | Very high | 95.6 | Very high | 53 Ų | 53 | 59.2 Ų | 59.2 | 37% | 0.371 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 116.7 | 174.3 | -170.1 | 0 | 0 | 0 | 0 | 108.2 | V169 | V169-S178 PolarHBondContact N-O 2.94Å; V169-S178 PolarHBondContact O-N 3.12Å |
| 179 | N | 94.9 | Very high | 95.6 | Very high | 82 Ų | 82 | 58.3 Ų | 58.3 | 44% | 0.439 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 140.9 | 179.3 | -66.5 | 5.8 | 0 | 0 | 0 | 109.4 | I166 S167 S168 L177 | I166-N179 HydrophobicContact CG2-CB 3.99Å; S167-N179 CarbonylContact O-C 3.51Å; S167-N179 WeakPolarHBondContact O-CA 3.26Å; S168-N179 PolarHBondContact OG-OD1 3.34Å; L177-N179 WeakPolarHBondContact CG-OD1 3.41Å |
| 180 | R | 94.7 | Very high | 95.4 | Very high | 133 Ų | 133 | 59.3 Ų | 59.3 | 50% | 0.502 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 131.2 | 172.1 | -178.5 | 177.4 | -177.8 | -138.9 | 4.4 | 108.6 | I166 S167 E182 | I166-R180 CarbonylContact C-O 3.59Å; I166-R180 WeakPolarHBondContact CA-O 3.03Å; S167-R180 PolarHBondContact N-O 3.17Å; S167-R180 PolarHBondContact O-N 2.97Å; R180-E182 WeakPolarHBondContact CD-OE1 3.15Å; R180-E182 HydrophobicContact CG-CG 4Å; R180-E182 IonicContact CZ-OE1 2.84Å; R180-E182 IonicContact NE-OE1 2.86Å; R180-E182 IonicContact NH1-OE1 2.73Å; R180-E182 PolarHBondContact NH1-OE1 3.4Å |
| 181 | E | 95.7 | Very high | 95.1 | Very high | 93 Ų | 93 | 54.7 Ų | 54.7 | 44% | 0.435 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 136 | 170.3 | -161.7 | 176.7 | 129.6 | 0 | 0 | 109.7 | R164 L165 V350 | R164-E181 WeakPolarHBondContact CD-OE1 3.14Å; R164-E181 IonicContact CZ-OE1 2.91Å; R164-E181 IonicContact NE-OE1 3.65Å; R164-E181 IonicContact NH1-OE1 2.66Å; R164-E181 PolarHBondContact NH1-OE1 3.25Å; R164-E181 IonicContact NH1-OE2 3.9Å; L165-E181 CarbonylContact O-C 3.55Å; L165-E181 WeakPolarHBondContact O-CA 3.16Å; E181-V350 HydrophobicContact CG-CG1 4.23Å |
| 182 | E | 94.4 | Very high | 94.4 | Very high | 51 Ų | 51 | 57.4 Ų | 57.4 | 24% | 0.238 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 128.7 | -177.2 | -51.9 | -175.7 | 144.7 | 0 | 0 | 109.1 | L165 R180 | L165-E182 HydrophobicContact CD1-CB 3.89Å; L165-E182 HydrophobicContact CD1-CG 4.42Å; L165-E182 PolarHBondContact N-O 3.07Å; L165-E182 PolarHBondContact O-N 3.19Å; R180-E182 WeakPolarHBondContact CD-OE1 3.15Å; R180-E182 HydrophobicContact CG-CG 4Å; R180-E182 IonicContact CZ-OE1 2.84Å; R180-E182 IonicContact NE-OE1 2.86Å; R180-E182 IonicContact NH1-OE1 2.73Å; R180-E182 PolarHBondContact NH1-OE1 3.4Å |
| 183 | S | 95.4 | Very high | 93.4 | Very high | 70 Ų | 70 | 56.8 Ų | 56.8 | 49% | 0.49 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 149.5 | 171.5 | -62.8 | 0 | 0 | 0 | 0 | 111.2 | Q162 G163 | Q162-S183 PolarHBondContact OE1-OG 3.41Å; G163-S183 WeakPolarHBondContact O-CA 3.49Å |
| 184 | F | 96 | Very high | 92.1 | Very high | 21 Ų | 21 | 56.2 Ų | 56.2 | 9% | 0.092 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 150.4 | 172.6 | 67.9 | -92.8 | 0 | 0 | 0 | 111.1 | Q162 G163 L165 L187 L349 P353 L356 | Q162-F184 CarbonylContact C-O 3.57Å; Q162-F184 WeakPolarHBondContact CA-O 3.33Å; G163-F184 VanDerWaalsContact C-CE1 3.43Å; G163-F184 PolarHBondContact N-O 3.07Å; G163-F184 PolarHBondContact O-N 3.48Å; L165-F184 HydrophobicContact CB-CD1 4.4Å; L165-F184 HydrophobicContact CB-CE1 4.32Å; L165-F184 HydrophobicContact CD2-CD1 4.02Å; L165-F184 HydrophobicContact CD2-CE1 4.44Å; L165-F184 HydrophobicContact CG-CD1 4.15Å; F184-L187 HydrophobicContact CB-CD2 4.3Å; F184-L187 HydrophobicContact CD1-CD2 4.01Å; F184-L187 HydrophobicContact CD2-CD2 3.52Å; F184-L187 HydrophobicContact CD2-CG 3.77Å; F184-L187 HydrophobicContact CE1-CD2 4.18Å; F184-L187 HydrophobicContact CE2-CD1 4.05Å; F184-L187 HydrophobicContact CE2-CD2 3.72Å; F184-L187 HydrophobicContact CE2-CG 3.64Å; F184-L187 HydrophobicContact CG-CD2 3.68Å; F184-L187 HydrophobicContact CG-CG 4.43Å; F184-L187 HydrophobicContact CZ-CD1 4.2Å; F184-L187 HydrophobicContact CZ-CD2 4.03Å; F184-L187 HydrophobicContact CZ-CG 4.19Å; F184-L349 HydrophobicContact CE1-CD2 3.61Å; F184-L349 HydrophobicContact CZ-CD2 3.65Å; F184-P353 HydrophobicContact CE2-CG 4.35Å; F184-L356 HydrophobicContact CE2-CD1 4.37Å |
| 185 | M | 95.5 | Very high | 90.3 | Very high | 45 Ų | 45 | 60.3 Ų | 60.3 | 22% | 0.222 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -107.6 | -26.2 | 173.8 | -59.8 | -65.4 | -74.9 | 0 | 0 | 111.6 | I157 F161 Q162 | I157-M185 HydrophobicContact CG2-CE 3.47Å; I157-M185 VanDerWaalsContact CG2-CE 3.47Å; F161-M185 HydrophobicContact CB-CE 3.57Å; F161-M185 HydrophobicContact CB-SD 4.26Å; F161-M185 HydrophobicContact CG-CE 4.48Å; Q162-M185 HydrophobicContact CB-SD 3.82Å; Q162-M185 HydrophobicContact CG-SD 4.33Å |
| 186 | D | 97.1 | Very high | 88.2 | Confident | 27 Ų | 27 | 61.6 Ų | 61.6 | 14% | 0.144 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 155.4 | 172.1 | 73.2 | -64.9 | 0 | 0 | 0 | 110.2 | Q113 S188 T357 | Q113-D186 PolarHBondContact NE2-OD2 2.76Å; D186-S188 PolarHBondContact OD2-OG 3.04Å; D186-T357 CarbonylContact C-O 3.51Å; D186-T357 VanDerWaalsContact CA-O 3.29Å; D186-T357 WeakPolarHBondContact CA-O 3.4Å; D186-T357 HydrophobicContact CB-CG2 4.03Å |
| 187 | L | 97.3 | Very high | 85.4 | Confident | 2 Ų | 2 | 62.3 Ų | 62.3 | 1% | 0.01 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 114.7 | 166.6 | -61.5 | 177.7 | 0 | 0 | 0 | 109.2 | L165 F184 L189 Y320 F321 L356 T357 L358 H359 | L165-L187 HydrophobicContact CD2-CD2 4.47Å; F184-L187 HydrophobicContact CB-CD2 4.3Å; F184-L187 HydrophobicContact CD1-CD2 4.01Å; F184-L187 HydrophobicContact CD2-CD2 3.52Å; F184-L187 HydrophobicContact CD2-CG 3.77Å; F184-L187 HydrophobicContact CE1-CD2 4.18Å; F184-L187 HydrophobicContact CE2-CD1 4.05Å; F184-L187 HydrophobicContact CE2-CD2 3.72Å; F184-L187 HydrophobicContact CE2-CG 3.64Å; F184-L187 HydrophobicContact CG-CD2 3.68Å; F184-L187 HydrophobicContact CG-CG 4.43Å; F184-L187 HydrophobicContact CZ-CD1 4.2Å; F184-L187 HydrophobicContact CZ-CD2 4.03Å; F184-L187 HydrophobicContact CZ-CG 4.19Å; L187-L189 HydrophobicContact CB-CD2 4.1Å; L187-L189 PolarHBondContact O-N 2.89Å; L187-Y320 HydrophobicContact CD2-CE1 4.07Å; L187-F321 HydrophobicContact CD1-CZ 4.15Å; L187-L356 HydrophobicContact CD1-CD1 4.29Å; L187-T357 PolarHBondContact N-O 3.19Å; L187-L358 HydrophobicContact CB-CD2 3.83Å; L187-L358 HydrophobicContact CD1-CD2 4.08Å; L187-L358 HydrophobicContact CG-CD2 4.34Å; L187-H359 PolarHBondContact O-N 2.95Å |
| 188 | S | 96.6 | Very high | 82.1 | Confident | 26 Ų | 26 | 63.7 Ų | 63.7 | 18% | 0.182 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 96.5 | 178.5 | -70.7 | 0 | 0 | 0 | 0 | 110.8 | D186 H359 K361 | D186-S188 PolarHBondContact OD2-OG 3.04Å; S188-H359 CarbonylContact C-O 3.55Å; S188-H359 WeakPolarHBondContact CA-O 3.37Å; S188-H359 WeakPolarHBondContact CB-ND1 3.46Å; S188-H359 PolarHBondContact OG-ND1 3.22Å; S188-K361 VanDerWaalsContact CB-CE 3.49Å; S188-K361 WeakPolarHBondContact O-CE 3.48Å |
| 189 | L | 96.1 | Very high | 79.1 | Confident | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 136 | -171.1 | -53 | -178.6 | 0 | 0 | 0 | 113.1 | L187 L313 C316 L317 Y320 L358 H359 L360 K361 | L187-L189 HydrophobicContact CB-CD2 4.1Å; L187-L189 PolarHBondContact O-N 2.89Å; L189-L313 HydrophobicContact CD1-CD1 3.71Å; L189-C316 HydrophobicContact CB-CB 4.24Å; L189-C316 HydrophobicContact CD1-CB 4.19Å; L189-L317 HydrophobicContact CD1-CD2 3.86Å; L189-L317 HydrophobicContact CD1-CG 4.09Å; L189-L317 HydrophobicContact CD2-CD2 3.95Å; L189-Y320 HydrophobicContact CD2-CD1 4.47Å; L189-Y320 HydrophobicContact CD2-CD2 3.94Å; L189-Y320 HydrophobicContact CD2-CG 3.85Å; L189-L358 HydrophobicContact CD1-CB 4.33Å; L189-L358 HydrophobicContact CD1-CD1 4.43Å; L189-L358 HydrophobicContact CD1-CD2 4.39Å; L189-H359 PolarHBondContact N-O 3.23Å; L189-L360 HydrophobicContact CB-CD2 4.47Å; L189-L360 HydrophobicContact CD1-CD2 4.36Å; L189-K361 VanDerWaalsContact O-CB 3.3Å; L189-K361 WeakPolarHBondContact O-CB 3.32Å; L189-K361 WeakPolarHBondContact O-CG 3.36Å; L189-K361 PolarHBondContact O-N 3.1Å |
| 190 | S | 92.4 | Very high | 76 | Confident | 40 Ų | 40 | 71.2 Ų | 71.2 | 28% | 0.28 | 38% | 0.381 | S | S | . | . | trans | -77.9 | 137 | 171.1 | -60.4 | 0 | 0 | 0 | 0 | 111.3 | T192 | S190-T192 VanDerWaalsContact C-N 3.28Å; S190-T192 PolarHBondContact O-N 2.68Å | ||
| 191 | L | 89.7 | Confident | 72.8 | Confident | 22 Ų | 22 | 70.8 Ų | 70.8 | 12% | 0.115 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -84.1 | 66.3 | -179.3 | -62.2 | -171.5 | 0 | 0 | 0 | 112.5 | L311 L360 R362 L373 V377 | L191-L311 HydrophobicContact CB-CD2 3.84Å; L191-L311 HydrophobicContact CD2-CD2 4.2Å; L191-L360 HydrophobicContact CD2-CB 4.15Å; L191-L360 HydrophobicContact CD2-CD2 4.08Å; L191-R362 HydrophobicContact CD1-CG 3.65Å; L191-L373 HydrophobicContact CB-CD1 4.05Å; L191-L373 HydrophobicContact CD1-CB 4.14Å; L191-L373 HydrophobicContact CD1-CD1 4.15Å; L191-V377 HydrophobicContact CD1-CG2 4.28Å; L191-V377 HydrophobicContact CD2-CG2 3.8Å |
| 192 | T | 81.8 | Confident | 69.9 | Low | 58 Ų | 58 | 70.8 Ų | 70.8 | 36% | 0.356 | 41% | 0.409 | S | S | . | . | trans | -142.4 | 137.4 | -173.6 | 44.5 | 0 | 0 | 0 | 0 | 111.6 | S190 H319 | S190-T192 VanDerWaalsContact C-N 3.28Å; S190-T192 PolarHBondContact O-N 2.68Å; T192-H319 WeakPolarHBondContact O-CB 3.45Å; T192-H319 PolarHBondContact OG1-CD2 3.07Å; T192-H319 VanDerWaalsContact OG1-CD2 3.22Å; T192-H319 PolarHBondContact OG1-CE1 3.49Å; T192-H319 VanDerWaalsContact OG1-CE1 3.3Å; T192-H319 VanDerWaalsContact OG1-CG 3.28Å; T192-H319 PolarHBondContact OG1-ND1 2.85Å; T192-H319 PolarHBondContact OG1-NE2 3.09Å | ||
| 193 | K | 74.8 | Confident | 66.9 | Low | 70 Ų | 70 | 74.1 Ų | 74.1 | 30% | 0.304 | 44% | 0.437 | S | S | . | . | trans | -71.2 | 151.1 | 171.4 | -65.9 | -176.6 | -176.6 | 167.6 | 0 | 111.2 | T195 D306 S309 L311 D315 | K193-T195 PolarHBondContact O-N 2.95Å; K193-D306 PolarHBondContact NZ-O 2.89Å; K193-S309 WeakPolarHBondContact CE-O 3.26Å; K193-S309 PolarHBondContact NZ-O 3.4Å; K193-S309 PolarHBondContact NZ-OG 2.67Å; K193-L311 HydrophobicContact CG-CD1 3.62Å; K193-D315 HydrophobicContact CG-CB 4.32Å | ||
| 194 | P | 66.9 | Low | 64.1 | Low | 51 Ų | 51 | 76.7 Ų | 76.7 | 33% | 0.331 | 45% | 0.45 | S | S | . | . | trans | -57.4 | 127.3 | 168.1 | -22.5 | 33.6 | 0 | 0 | 0 | 110.9 | V196 | P194-V196 PolarHBondContact O-N 3.37Š| ||
| 195 | T | 57.5 | Low | 61.1 | Low | 121 Ų | 121 | 82.8 Ų | 82.8 | 74% | 0.742 | 48% | 0.483 | S | S | * | . | trans | -79.4 | 109.1 | 174.2 | -62.4 | 0 | 0 | 0 | 0 | 108.9 | K193 Q197 | K193-T195 PolarHBondContact O-N 2.95Å; T195-Q197 HydrophobicContact CG2-CG 4.45Å; T195-Q197 PolarHBondContact O-N 3.04Å | ||
| 196 | V | 51.4 | Low | 57.8 | Low | 122 Ų | 122 | 89 Ų | 89 | 74% | 0.739 | 51% | 0.512 | S | S | * | . | trans | -68.3 | 93.5 | 173.8 | -177.7 | 0 | 0 | 0 | 0 | 109.2 | P194 T198 | P194-V196 PolarHBondContact O-N 3.37Å; V196-T198 PolarHBondContact O-N 3.42Å | ||
| 197 | Q | 35.1 | Very low | 54.8 | Low | 126 Ų | 126 | 93.4 Ų | 93.4 | 59% | 0.589 | 54% | 0.542 | S | S | * | . | trans | -71.3 | 93.3 | 171.2 | -67.9 | -174.8 | -2.2 | 0 | 0 | 109.3 | T195 Y199 | T195-Q197 HydrophobicContact CG2-CG 4.45Å; T195-Q197 PolarHBondContact O-N 3.04Å; Q197-Y199 HydrophobicContact CB-CD2 4.03Å; Q197-Y199 HydrophobicContact CB-CE2 3.67Å; Q197-Y199 PolarHBondContact O-N 2.97Å; Q197-Y199 VanDerWaalsContact OE1-CZ 3.27Å; Q197-Y199 PolarHBondContact OE1-OH 3.26Å | ||
| 198 | T | 26.4 | Very low | 52 | Low | 125 Ų | 125 | 99.7 Ų | 99.7 | 77% | 0.767 | 58% | 0.581 | S | S | * | * | trans | -71.7 | 83 | 168.3 | 19.1 | 0 | 0 | 0 | 0 | 109.2 | V196 S200 | V196-T198 PolarHBondContact O-N 3.42Å; T198-S200 PolarHBondContact O-N 3Å | ||
| 199 | Y | 30.9 | Very low | 48.9 | Very low | 190 Ų | 190 | 108.4 Ų | 108.4 | 75% | 0.745 | 62% | 0.615 | S | S | * | * | trans | -62.1 | 100.4 | 165.4 | -75.3 | -81.5 | 0 | 0 | 0 | 108.8 | Q197 S201 | Q197-Y199 HydrophobicContact CB-CD2 4.03Å; Q197-Y199 HydrophobicContact CB-CE2 3.67Å; Q197-Y199 PolarHBondContact O-N 2.97Å; Q197-Y199 VanDerWaalsContact OE1-CZ 3.27Å; Q197-Y199 PolarHBondContact OE1-OH 3.26Å; Y199-S201 VanDerWaalsContact C-N 3.3Å; Y199-S201 PolarHBondContact O-N 2.69Å | ||
| 200 | S | 29.5 | Very low | 46 | Very low | 102 Ų | 102 | 114 Ų | 114 | 71% | 0.713 | 65% | 0.654 | S | S | * | * | trans | -71.4 | 90.7 | 167.6 | 29.7 | 0 | 0 | 0 | 0 | 108 | T198 S202 | T198-S200 PolarHBondContact O-N 3Å; S200-S202 PolarHBondContact O-N 3.39Å; S200-S202 PolarHBondContact O-OG 3.31Å | ||
| 201 | S | 29.3 | Very low | 43.3 | Very low | 125 Ų | 125 | 117.6 Ų | 117.6 | 87% | 0.874 | 68% | 0.68 | S | S | * | * | trans | -56.8 | 103 | 175.8 | 37.3 | 0 | 0 | 0 | 0 | 110.2 | Y199 | Y199-S201 VanDerWaalsContact C-N 3.3Å; Y199-S201 PolarHBondContact O-N 2.69Å | ||
| 202 | S | 33 | Very low | 40.5 | Very low | 93 Ų | 93 | 123.7 Ų | 123.7 | 65% | 0.65 | 71% | 0.712 | S | S | * | * | trans | -128.1 | 118.3 | 179.3 | 43.9 | 0 | 0 | 0 | 0 | 109 | S200 | S200-S202 PolarHBondContact O-N 3.39Å; S200-S202 PolarHBondContact O-OG 3.31Å | ||
| 203 | S | 33.1 | Very low | 38.3 | Very low | 120 Ų | 120 | 130.1 Ų | 130.1 | 84% | 0.839 | 74% | 0.74 | S | S | * | * | trans | 65 | 141.9 | -176.8 | 81 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 204 | V | 35 | Very low | 36.3 | Very low | 124 Ų | 124 | 134.5 Ų | 134.5 | 75% | 0.752 | 77% | 0.767 | S | S | * | * | cis | -153.5 | 146.9 | 15.6 | 166.5 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 205 | D | 33.5 | Very low | 34.6 | Very low | 149 Ų | 149 | 135.2 Ų | 135.2 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | cis | -148.8 | -166.1 | 2.4 | -142.5 | -39.3 | 0 | 0 | 0 | 111.1 | ||||
| 206 | Q | 26.4 | Very low | 33.5 | Very low | 175 Ų | 175 | 135.6 Ų | 135.6 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -106.7 | 150.6 | 161.4 | -69.1 | -175.9 | -11.7 | 0 | 0 | 113 | ||||
| 207 | P | 34.8 | Very low | 32.5 | Very low | 120 Ų | 120 | 137 Ų | 137 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | trans | -124.9 | 120.3 | 142.8 | 13.6 | 6.8 | 0 | 0 | 0 | 113.3 | ||||
| 208 | T | 36.9 | Very low | 32.3 | Very low | 135 Ų | 135 | 137.1 Ų | 137.1 | 83% | 0.828 | 81% | 0.808 | S | S | * | * | trans | 17.2 | 125.8 | 147.6 | 52.6 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 209 | K | 32 | Very low | 32.5 | Very low | 208 Ų | 208 | 137.6 Ų | 137.6 | 90% | 0.904 | 81% | 0.811 | S | S | * | * | trans | -52.2 | 145.3 | 164.7 | -56.6 | 169.3 | 177.6 | 176.1 | 0 | 113.9 | ||||
| 210 | S | 36.4 | Very low | 32.5 | Very low | 117 Ų | 117 | 132.1 Ų | 132.1 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | -178 | 161.8 | 116.5 | 56.5 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 211 | S | 35.3 | Very low | 32.6 | Very low | 117 Ų | 117 | 132.4 Ų | 132.4 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | trans | 77.4 | 98.9 | 166.2 | -155 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 212 | L | 31.4 | Very low | 32.6 | Very low | 150 Ų | 150 | 134.2 Ų | 134.2 | 79% | 0.785 | 81% | 0.813 | S | S | * | * | trans | -76.9 | 152.3 | 157.1 | -61.6 | 84.9 | 0 | 0 | 0 | 110 | ||||
| 213 | M | 35.2 | Very low | 32.5 | Very low | 193 Ų | 193 | 137 Ų | 137 | 95% | 0.951 | 82% | 0.819 | S | S | * | * | -158.7 | 137.8 | 127.4 | -112.5 | 177.5 | 179.1 | 0 | 0 | 111.3 | |||||
| 214 | N | 31.8 | Very low | 32.6 | Very low | 162 Ų | 162 | 141.3 Ų | 141.3 | 87% | 0.866 | 82% | 0.823 | S | S | * | * | trans | -81.7 | 151.4 | -176.4 | -66.5 | -30.7 | 0 | 0 | 0 | 111.7 | ||||
| 215 | G | 32.3 | Very low | 32.6 | Very low | 66 Ų | 66 | 141.2 Ų | 141.2 | 68% | 0.68 | 82% | 0.819 | S | S | * | * | trans | -164.4 | 84.3 | 177 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 216 | S | 34.3 | Very low | 32.5 | Very low | 129 Ų | 129 | 136.8 Ų | 136.8 | 90% | 0.902 | 81% | 0.808 | S | S | * | * | trans | 67.8 | 131.5 | 157.1 | 17.8 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 217 | I | 30 | Very low | 33 | Very low | 150 Ų | 150 | 134.4 Ų | 134.4 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | trans | -89.3 | 145.9 | 174.9 | -66.6 | 155.6 | 0 | 0 | 0 | 110 | T219 | I217-T219 HydrophobicContact CG2-CG2 4.14Š| ||
| 218 | S | 31.7 | Very low | 32.8 | Very low | 129 Ų | 129 | 135 Ų | 135 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | trans | -151.9 | 125.8 | 147.2 | -78.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 219 | T | 29.6 | Very low | 32.5 | Very low | 136 Ų | 136 | 139.3 Ų | 139.3 | 83% | 0.834 | 81% | 0.806 | S | S | * | * | trans | -89.3 | 139.4 | -167.9 | 46.1 | 0 | 0 | 0 | 0 | 113 | I217 | I217-T219 HydrophobicContact CG2-CG2 4.14Š| ||
| 220 | G | 31.2 | Very low | 32.4 | Very low | 75 Ų | 75 | 136.7 Ų | 136.7 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | trans | -163.1 | 58.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 221 | S | 31.3 | Very low | 32.1 | Very low | 107 Ų | 107 | 140.6 Ų | 140.6 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | trans | 61.1 | 117.5 | 146.6 | -156.6 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 222 | L | 29.7 | Very low | 32 | Very low | 164 Ų | 164 | 141.7 Ų | 141.7 | 86% | 0.859 | 81% | 0.805 | S | S | * | * | trans | 68.3 | 89.9 | 142.9 | -69.2 | 169.2 | 0 | 0 | 0 | 121.1 | ||||
| 223 | L | 31.6 | Very low | 32.1 | Very low | 150 Ų | 150 | 140 Ų | 140 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | trans | -88.6 | 131.1 | 148.2 | -75.3 | 162.7 | 0 | 0 | 0 | 110.3 | ||||
| 224 | K | 33.5 | Very low | 32.2 | Very low | 212 Ų | 212 | 136.6 Ų | 136.6 | 92% | 0.922 | 80% | 0.801 | S | S | * | * | trans | -91.7 | 102.2 | 159.5 | -89 | -174.7 | 174.4 | -179.6 | 0 | 108.8 | ||||
| 225 | N | 35.4 | Very low | 32.2 | Very low | 122 Ų | 122 | 135.8 Ų | 135.8 | 65% | 0.652 | 80% | 0.797 | S | S | * | * | trans | -84 | 146 | 172.6 | -69.6 | -22.3 | 0 | 0 | 0 | 110.8 | ||||
| 226 | G | 31.7 | Very low | 32.3 | Very low | 56 Ų | 56 | 141.1 Ų | 141.1 | 58% | 0.577 | 81% | 0.809 | S | S | * | * | trans | -68.1 | 171.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | I228 | G226-I228 PolarHBondContact O-N 2.97Š| ||
| 227 | P | 36.6 | Very low | 32.1 | Very low | 125 Ų | 125 | 142.9 Ų | 142.9 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | trans | -67.4 | 114.1 | -172.6 | 26.4 | -33.9 | 0 | 0 | 0 | 112.5 | ||||
| 228 | I | 30.9 | Very low | 32.3 | Very low | 131 Ų | 131 | 144.3 Ų | 144.3 | 67% | 0.672 | 81% | 0.806 | S | S | * | * | trans | -87.8 | 109.5 | 170.1 | -58.5 | 174.8 | 0 | 0 | 0 | 108.3 | G226 L230 | G226-I228 PolarHBondContact O-N 2.97Å; I228-L230 HydrophobicContact CG2-CG 4.17Å; I228-L230 PolarHBondContact O-N 3.16Å | ||
| 229 | Y | 30.9 | Very low | 32.3 | Very low | 227 Ų | 227 | 144.4 Ų | 144.4 | 89% | 0.89 | 80% | 0.801 | S | S | * | * | trans | -73.3 | 91.2 | 169 | -90.8 | -85.9 | 0 | 0 | 0 | 110.9 | K231 | Y229-K231 PolarHBondContact O-N 3.33Š| ||
| 230 | L | 29.4 | Very low | 32.2 | Very low | 152 Ų | 152 | 145.7 Ų | 145.7 | 80% | 0.796 | 80% | 0.798 | S | S | * | * | trans | -73.6 | 111.8 | 169.1 | -79.7 | 161.9 | 0 | 0 | 0 | 110.5 | I228 | I228-L230 HydrophobicContact CG2-CG 4.17Å; I228-L230 PolarHBondContact O-N 3.16Å | ||
| 231 | K | 29.8 | Very low | 32.5 | Very low | 199 Ų | 199 | 148.5 Ų | 148.5 | 87% | 0.865 | 80% | 0.802 | S | S | * | * | trans | -80.7 | 112.8 | 160.4 | -98.3 | 176.4 | 177.4 | 163.8 | 0 | 109.1 | Y229 | Y229-K231 PolarHBondContact O-N 3.33Š| ||
| 232 | T | 33 | Very low | 32.4 | Very low | 141 Ų | 141 | 147.7 Ų | 147.7 | 87% | 0.865 | 80% | 0.797 | S | S | * | * | trans | -63.1 | 132.1 | 167.6 | 42.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 233 | S | 34.1 | Very low | 32.8 | Very low | 113 Ų | 113 | 149.2 Ų | 149.2 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | trans | -120.1 | 125.2 | 165.9 | -62.8 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 234 | S | 37.5 | Very low | 33.1 | Very low | 123 Ų | 123 | 146.8 Ų | 146.8 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | trans | -99.1 | 128.4 | 170.2 | 38.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 235 | D | 32.6 | Very low | 33.3 | Very low | 145 Ų | 145 | 143.3 Ų | 143.3 | 78% | 0.775 | 79% | 0.789 | S | S | * | * | trans | -66.3 | 147.6 | -178.3 | -67.2 | -71.6 | 0 | 0 | 0 | 113.3 | ||||
| 236 | L | 33 | Very low | 33.1 | Very low | 178 Ų | 178 | 142.3 Ų | 142.3 | 93% | 0.932 | 79% | 0.791 | S | S | * | * | trans | -150.5 | 113.1 | 142.6 | -111.8 | 161.2 | 0 | 0 | 0 | 109.3 | ||||
| 237 | Q | 31.2 | Very low | 33.2 | Very low | 165 Ų | 165 | 150.3 Ų | 150.3 | 77% | 0.771 | 80% | 0.804 | S | S | * | * | trans | -77.5 | 144.7 | -178.7 | -60.8 | 168.1 | -13.7 | 0 | 0 | 111 | ||||
| 238 | Q | 32.8 | Very low | 33.1 | Very low | 180 Ų | 180 | 153.8 Ų | 153.8 | 84% | 0.841 | 80% | 0.801 | S | S | * | * | -171.3 | 119.8 | 122.4 | -102.8 | 166.4 | 30 | 0 | 0 | 114.5 | |||||
| 239 | T | 32.1 | Very low | 33.1 | Very low | 131 Ų | 131 | 157.1 Ų | 157.1 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | 56.7 | 118.4 | 142.3 | 57.1 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 240 | Q | 28.9 | Very low | 33.3 | Very low | 164 Ų | 164 | 151.9 Ų | 151.9 | 77% | 0.766 | 80% | 0.803 | S | S | * | * | trans | -83.7 | 178 | 151 | -58 | -166.8 | -6.7 | 0 | 0 | 111.2 | ||||
| 241 | P | 36.3 | Very low | 33.6 | Very low | 133 Ų | 133 | 151.3 Ų | 151.3 | 86% | 0.864 | 81% | 0.806 | S | S | * | * | -142.5 | 159.2 | 87.3 | 37.2 | -21.8 | 0 | 0 | 0 | 115.8 | |||||
| 242 | S | 29.7 | Very low | 33.9 | Very low | 91 Ų | 91 | 146.4 Ų | 146.4 | 64% | 0.636 | 80% | 0.797 | S | S | * | * | trans | -101.4 | 159.1 | 175.1 | 55.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 243 | K | 38.5 | Very low | 34.2 | Very low | 195 Ų | 195 | 151.2 Ų | 151.2 | 85% | 0.848 | 80% | 0.799 | S | S | * | * | trans | -172 | 126.2 | 155.5 | -110 | 162.5 | -167.5 | -179.9 | 0 | 114.1 | ||||
| 244 | S | 37.1 | Very low | 34.2 | Very low | 99 Ų | 99 | 149.1 Ų | 149.1 | 69% | 0.692 | 80% | 0.795 | S | S | * | * | trans | 44.6 | 144.4 | 134.7 | 64.4 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 245 | T | 37.2 | Very low | 34.3 | Very low | 140 Ų | 140 | 148.9 Ų | 148.9 | 86% | 0.859 | 79% | 0.794 | S | S | * | * | cis | -169.3 | 161.9 | -1.8 | 16 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 246 | S | 31.8 | Very low | 34.5 | Very low | 100 Ų | 100 | 150.7 Ų | 150.7 | 70% | 0.699 | 80% | 0.795 | S | S | * | * | trans | -58.3 | 140.9 | 178.9 | -179 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 247 | R | 33.9 | Very low | 34.6 | Very low | 224 Ų | 224 | 149.7 Ų | 149.7 | 85% | 0.845 | 79% | 0.787 | S | S | * | * | trans | 156.1 | 159.3 | 136 | -91.8 | 177.5 | -112.2 | -149.9 | -3.6 | 111.3 | ||||
| 248 | R | 33.6 | Very low | 34.9 | Very low | 199 Ų | 199 | 150.9 Ų | 150.9 | 75% | 0.751 | 79% | 0.79 | S | S | * | * | cis | -178.6 | 141.1 | -30.4 | -116.6 | -168.2 | -157.4 | -173.6 | 10 | 107.6 | ||||
| 249 | Y | 31.3 | Very low | 34.8 | Very low | 201 Ų | 201 | 150.3 Ų | 150.3 | 79% | 0.788 | 79% | 0.791 | S | S | * | * | trans | 63.9 | 128.5 | 153.5 | -79.2 | -86 | 0 | 0 | 0 | 124.4 | ||||
| 250 | S | 36.1 | Very low | 35.1 | Very low | 117 Ų | 117 | 149.5 Ų | 149.5 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | 115.9 | 152.8 | 124.9 | 74 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 251 | T | 34.6 | Very low | 35.6 | Very low | 139 Ų | 139 | 146.5 Ų | 146.5 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | trans | -122.3 | 158.7 | -155.5 | 49.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 252 | S | 37.3 | Very low | 35.6 | Very low | 96 Ų | 96 | 147 Ų | 147 | 67% | 0.671 | 78% | 0.783 | S | S | * | * | trans | 154.8 | 138.6 | 130.8 | -179 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 253 | R | 38.2 | Very low | 36.3 | Very low | 242 Ų | 242 | 151.6 Ų | 151.6 | 91% | 0.913 | 79% | 0.792 | S | S | * | * | trans | 18.3 | 133.3 | 149.2 | -59.8 | 164.6 | 160.4 | 165.4 | -7.7 | 118.2 | ||||
| 254 | G | 35.3 | Very low | 36.5 | Very low | 69 Ų | 69 | 148.6 Ų | 148.6 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | cis | 118.1 | 132.3 | 15.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 255 | S | 38.4 | Very low | 36.7 | Very low | 118 Ų | 118 | 150.7 Ų | 150.7 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | trans | 173.1 | 123.8 | 141.2 | -81.5 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 256 | K | 37 | Very low | 37.1 | Very low | 183 Ų | 183 | 148.9 Ų | 148.9 | 80% | 0.796 | 78% | 0.783 | S | S | * | * | trans | 48.3 | 131.3 | 133.8 | -66.2 | -176.6 | 178.2 | 177.9 | 0 | 124.5 | ||||
| 257 | M | 35.9 | Very low | 37.9 | Very low | 157 Ų | 157 | 150.6 Ų | 150.6 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | trans | 75.5 | 152.2 | 139.9 | -72.4 | 179.5 | 168.9 | 0 | 0 | 118.4 | ||||
| 258 | K | 36.5 | Very low | 38.7 | Very low | 191 Ų | 191 | 145.5 Ų | 145.5 | 83% | 0.83 | 78% | 0.778 | S | S | * | * | cis | -153 | 177.6 | 9.7 | -132.6 | 167.7 | -173.9 | -178.5 | 0 | 111.5 | ||||
| 259 | L | 31.5 | Very low | 39.5 | Very low | 167 Ų | 167 | 142.6 Ų | 142.6 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | trans | -117.7 | 136.2 | -170.4 | -167.5 | 97.6 | 0 | 0 | 0 | 113.2 | ||||
| 260 | S | 38.2 | Very low | 40.2 | Very low | 114 Ų | 114 | 138.1 Ų | 138.1 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | trans | 153.8 | 147.2 | 160.9 | 55.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 261 | S | 39.2 | Very low | 40.9 | Very low | 101 Ų | 101 | 142.3 Ų | 142.3 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | cis | -167 | 138.1 | -0.9 | 47.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 262 | L | 37.1 | Very low | 41.6 | Very low | 143 Ų | 143 | 141.9 Ų | 141.9 | 75% | 0.749 | 77% | 0.77 | S | S | * | * | trans | 51.4 | 157.7 | 138.2 | -62.5 | 171.7 | 0 | 0 | 0 | 124.3 | ||||
| 263 | F | 42.5 | Very low | 42.5 | Very low | 189 Ų | 189 | 143.2 Ų | 143.2 | 83% | 0.829 | 77% | 0.774 | S | S | * | * | trans | 76.1 | 129.2 | 170.7 | -50.1 | -73.9 | 0 | 0 | 0 | 115.3 | ||||
| 264 | T | 43.7 | Very low | 43.3 | Very low | 132 Ų | 132 | 136.6 Ų | 136.6 | 81% | 0.81 | 76% | 0.76 | S | S | * | * | cis | -146.8 | 149.6 | 8.9 | 47.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 265 | L | 40.8 | Very low | 44.3 | Very low | 142 Ų | 142 | 134.6 Ų | 134.6 | 74% | 0.743 | 74% | 0.74 | S | S | * | * | trans | -95.6 | 174.4 | 159.7 | -90 | 160.1 | 0 | 0 | 0 | 109.6 | I268 | L265-I268 HydrophobicContact CD2-CD1 4.21Å; L265-I268 HydrophobicContact CD2-CG1 4.47Å | ||
| 266 | P | 46.8 | Very low | 45.6 | Very low | 102 Ų | 102 | 134.4 Ų | 134.4 | 66% | 0.662 | 73% | 0.728 | S | S | * | * | cis | -136.5 | 163.4 | 9.1 | 40.1 | -22.6 | 0 | 0 | 0 | 117.2 | ||||
| 267 | T | 47.6 | Very low | 47.3 | Very low | 136 Ų | 136 | 129.4 Ų | 129.4 | 83% | 0.834 | 72% | 0.715 | S | S | * | * | trans | -162.8 | 80.7 | 147.1 | -0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 268 | I | 50.3 | Low | 49.2 | Very low | 118 Ų | 118 | 130.3 Ų | 130.3 | 61% | 0.605 | 71% | 0.709 | S | S | * | * | trans | -91 | -10.6 | -165.8 | -79.3 | 174 | 0 | 0 | 0 | 114.6 | L265 | L265-I268 HydrophobicContact CD2-CD1 4.21Å; L265-I268 HydrophobicContact CD2-CG1 4.47Å | ||
| 269 | V | 50.8 | Low | 51.2 | Low | 137 Ų | 137 | 126.3 Ų | 126.3 | 83% | 0.83 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -90.8 | -16.8 | -167.5 | -172.3 | 0 | 0 | 0 | 0 | 114.7 | ||
| 270 | S | 46.7 | Very low | 53.6 | Low | 107 Ų | 107 | 123.5 Ų | 123.5 | 75% | 0.748 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -96.4 | -8.8 | -175.6 | -166.9 | 0 | 0 | 0 | 0 | 115.8 | ||
| 271 | R | 50.3 | Low | 55.7 | Low | 205 Ų | 205 | 121.7 Ų | 121.7 | 77% | 0.774 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -97.7 | -4.3 | -175.1 | -85.4 | -174.3 | 167 | -179 | -3.5 | 115.5 | V273 T274 G275 | R271-V273 VanDerWaalsContact C-N 3.33Å; R271-V273 PolarHBondContact O-N 3.38Å; R271-T274 PolarHBondContact O-OG1 2.83Å; R271-G275 PolarHBondContact O-N 3.23Å |
| 272 | L | 49.3 | Very low | 57.9 | Low | 130 Ų | 130 | 120.6 Ų | 120.6 | 68% | 0.681 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | -21.4 | -178.8 | -79.6 | 162.5 | 0 | 0 | 0 | 114 | ||
| 273 | V | 55.5 | Low | 60.3 | Low | 124 Ų | 124 | 118.9 Ų | 118.9 | 75% | 0.752 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | -26.3 | -179.7 | -174.8 | 0 | 0 | 0 | 0 | 112.5 | R271 | R271-V273 VanDerWaalsContact C-N 3.33Å; R271-V273 PolarHBondContact O-N 3.38Å |
| 274 | T | 56.6 | Low | 62.5 | Low | 104 Ų | 104 | 114.8 Ų | 114.8 | 64% | 0.638 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | -10.3 | 176.8 | 57.8 | 0 | 0 | 0 | 0 | 113.9 | R271 | R271-T274 PolarHBondContact O-OG1 2.83Š|
| 275 | G | 56.6 | Low | 64.6 | Low | 27 Ų | 27 | 112.2 Ų | 112.2 | 28% | 0.278 | 61% | 0.612 | S | S | . | * | S | Bend | trans | -80.4 | -25.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | R271 W278 L279 | R271-G275 PolarHBondContact O-N 3.23Å; G275-W278 PolarHBondContact O-N 2.81Å; G275-L279 PolarHBondContact O-N 3.32Å |
| 276 | I | 64.4 | Low | 66.9 | Low | 114 Ų | 114 | 110 Ų | 110 | 59% | 0.585 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -61.7 | -45.1 | -175.6 | -59.5 | 168.6 | 0 | 0 | 0 | 112.2 | W278 L279 L280 | I276-W278 VanDerWaalsContact C-N 3.29Å; I276-W278 PolarHBondContact O-N 3.35Å; I276-L279 PolarHBondContact O-N 3.1Å; I276-L280 WeakPolarHBondContact O-CB 3.35Å; I276-L280 PolarHBondContact O-N 3.25Å |
| 277 | P | 74 | Confident | 68.8 | Low | 78 Ų | 78 | 108.1 Ų | 108.1 | 51% | 0.506 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -63.3 | -32.6 | 175.9 | -23 | 35 | 0 | 0 | 0 | 113.6 | T281 | P277-T281 WeakPolarHBondContact O-CB 3.49Å; P277-T281 WeakPolarHBondContact O-CG2 3.2Å; P277-T281 PolarHBondContact O-N 3.31Å; P277-T281 PolarHBondContact O-OG1 2.95Å |
| 278 | W | 75.2 | Confident | 70.7 | Confident | 176 Ų | 176 | 107.6 Ų | 107.6 | 67% | 0.667 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -74.2 | -41.7 | 178.8 | -159.6 | 77.9 | 0 | 0 | 0 | 111.7 | G275 I276 T281 M282 | G275-W278 PolarHBondContact O-N 2.81Å; I276-W278 VanDerWaalsContact C-N 3.29Å; I276-W278 PolarHBondContact O-N 3.35Å; W278-T281 WeakPolarHBondContact CA-OG1 3.42Å; W278-T281 PolarHBondContact O-N 3.06Å; W278-T281 PolarHBondContact O-OG1 2.94Å; W278-T281 VanDerWaalsContact O-OG1 3.06Å; W278-M282 HydrophobicContact CZ3-SD 4.39Å; W278-M282 WeakPolarHBondContact O-CB 3.37Å; W278-M282 PolarHBondContact O-N 2.83Å |
| 279 | L | 78 | Confident | 72.5 | Confident | 106 Ų | 106 | 107.1 Ų | 107.1 | 56% | 0.555 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -62.4 | -41.5 | 171.5 | -82.8 | 163.9 | 0 | 0 | 0 | 112.2 | G275 I276 M282 L283 | G275-L279 PolarHBondContact O-N 3.32Å; I276-L279 PolarHBondContact O-N 3.1Å; L279-M282 PolarHBondContact O-N 3.29Å; L279-L283 WeakPolarHBondContact O-CB 3.13Å; L279-L283 PolarHBondContact O-N 2.79Å |
| 280 | L | 82.3 | Confident | 74.2 | Confident | 109 Ų | 109 | 107.1 Ų | 107.1 | 57% | 0.571 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -65.1 | -43.5 | 178.2 | -164.3 | 75.6 | 0 | 0 | 0 | 111.7 | I276 L283 L284 | I276-L280 WeakPolarHBondContact O-CB 3.35Å; I276-L280 PolarHBondContact O-N 3.25Å; L280-L283 PolarHBondContact O-N 2.78Å; L280-L284 HydrophobicContact CG-CD1 4.32Å; L280-L284 WeakPolarHBondContact O-CB 3.12Å; L280-L284 VanDerWaalsContact O-CG 3.27Å; L280-L284 WeakPolarHBondContact O-CG 3.45Å; L280-L284 PolarHBondContact O-N 2.88Å |
| 281 | T | 82.4 | Confident | 76 | Confident | 75 Ų | 75 | 106.7 Ų | 106.7 | 46% | 0.46 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -68.4 | -33.6 | 175.2 | 46.2 | 0 | 0 | 0 | 0 | 112.7 | P277 W278 L284 T285 | P277-T281 WeakPolarHBondContact O-CB 3.49Å; P277-T281 WeakPolarHBondContact O-CG2 3.2Å; P277-T281 PolarHBondContact O-N 3.31Å; P277-T281 PolarHBondContact O-OG1 2.95Å; W278-T281 WeakPolarHBondContact CA-OG1 3.42Å; W278-T281 PolarHBondContact O-N 3.06Å; W278-T281 PolarHBondContact O-OG1 2.94Å; W278-T281 VanDerWaalsContact O-OG1 3.06Å; T281-L284 PolarHBondContact O-N 2.83Å; T281-T285 WeakPolarHBondContact O-CB 3.34Å; T281-T285 WeakPolarHBondContact O-CG2 3.3Å; T281-T285 PolarHBondContact O-N 2.89Å; T281-T285 PolarHBondContact O-OG1 2.82Å |
| 282 | M | 85.4 | Confident | 77.5 | Confident | 78 Ų | 78 | 99.9 Ų | 99.9 | 38% | 0.384 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -68.4 | -38.1 | 172.6 | -146 | -149.3 | 88.2 | 0 | 0 | 112 | W278 L279 T285 L286 | W278-M282 HydrophobicContact CZ3-SD 4.39Å; W278-M282 WeakPolarHBondContact O-CB 3.37Å; W278-M282 PolarHBondContact O-N 2.83Å; L279-M282 PolarHBondContact O-N 3.29Å; M282-T285 WeakPolarHBondContact CA-OG1 3.21Å; M282-T285 PolarHBondContact O-OG1 3.17Å; M282-L286 HydrophobicContact CE-CD1 3.36Å; M282-L286 HydrophobicContact CE-CG 3.93Å; M282-L286 WeakPolarHBondContact O-CB 3.45Å; M282-L286 WeakPolarHBondContact O-CG 3.3Å; M282-L286 PolarHBondContact O-N 2.73Å |
| 283 | L | 86.9 | Confident | 79.1 | Confident | 107 Ų | 107 | 100.4 Ų | 100.4 | 56% | 0.56 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.6 | -44.9 | 172.7 | -112.6 | 122.8 | 0 | 0 | 0 | 111.7 | L279 L280 T285 L286 T287 | L279-L283 WeakPolarHBondContact O-CB 3.13Å; L279-L283 PolarHBondContact O-N 2.79Å; L280-L283 PolarHBondContact O-N 2.78Å; L283-T285 VanDerWaalsContact C-N 3.34Å; L283-T285 PolarHBondContact O-N 2.85Å; L283-L286 PolarHBondContact O-N 3.28Å; L283-T287 WeakPolarHBondContact O-CG2 3.45Å; L283-T287 PolarHBondContact O-N 3.21Å; L283-T287 PolarHBondContact O-OG1 2.86Å |
| 284 | L | 88.6 | Confident | 80.3 | Confident | 103 Ų | 103 | 96.8 Ų | 96.8 | 54% | 0.539 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64 | -36.3 | 177.9 | -73.6 | 168 | 0 | 0 | 0 | 112.6 | L280 T281 T287 H288 | L280-L284 HydrophobicContact CG-CD1 4.32Å; L280-L284 WeakPolarHBondContact O-CB 3.12Å; L280-L284 VanDerWaalsContact O-CG 3.27Å; L280-L284 WeakPolarHBondContact O-CG 3.45Å; L280-L284 PolarHBondContact O-N 2.88Å; T281-L284 PolarHBondContact O-N 2.83Å; L284-T287 WeakPolarHBondContact CA-OG1 3.28Å; L284-T287 PolarHBondContact O-OG1 2.83Å; L284-T287 VanDerWaalsContact O-OG1 3.1Å; L284-H288 VanDerWaalsContact O-CB 3.3Å; L284-H288 WeakPolarHBondContact O-CB 3.42Å; L284-H288 PolarHBondContact O-N 2.71Å |
| 285 | T | 88.1 | Confident | 81 | Confident | 78 Ų | 78 | 98.1 Ų | 98.1 | 48% | 0.479 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -72.4 | -40.3 | 174.4 | 46.3 | 0 | 0 | 0 | 0 | 111.8 | T281 M282 L283 H288 I289 | T281-T285 WeakPolarHBondContact O-CB 3.34Å; T281-T285 WeakPolarHBondContact O-CG2 3.3Å; T281-T285 PolarHBondContact O-N 2.89Å; T281-T285 PolarHBondContact O-OG1 2.82Å; M282-T285 WeakPolarHBondContact CA-OG1 3.21Å; M282-T285 PolarHBondContact O-OG1 3.17Å; L283-T285 VanDerWaalsContact C-N 3.34Å; L283-T285 PolarHBondContact O-N 2.85Å; T285-H288 PolarHBondContact O-N 2.87Å; T285-I289 WeakPolarHBondContact O-CB 3.36Å; T285-I289 VanDerWaalsContact O-CG1 3.25Å; T285-I289 WeakPolarHBondContact O-CG1 3.2Å; T285-I289 PolarHBondContact O-N 3.08Å |
| 286 | L | 90 | Very high | 82 | Confident | 95 Ų | 95 | 100.9 Ų | 100.9 | 50% | 0.497 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.3 | -41.9 | 172.3 | -77.6 | -174.5 | 0 | 0 | 0 | 112.8 | M282 L283 H288 I289 F290 | M282-L286 HydrophobicContact CE-CD1 3.36Å; M282-L286 HydrophobicContact CE-CG 3.93Å; M282-L286 WeakPolarHBondContact O-CB 3.45Å; M282-L286 WeakPolarHBondContact O-CG 3.3Å; M282-L286 PolarHBondContact O-N 2.73Å; L283-L286 PolarHBondContact O-N 3.28Å; L286-H288 VanDerWaalsContact C-N 3.34Å; L286-I289 PolarHBondContact O-N 3.43Å; L286-F290 WeakPolarHBondContact O-CB 3.42Å; L286-F290 PolarHBondContact O-N 3.13Å |
| 287 | T | 86.5 | Confident | 82.2 | Confident | 63 Ų | 63 | 102.3 Ų | 102.3 | 39% | 0.387 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -68 | -34.7 | 175.7 | 55.5 | 0 | 0 | 0 | 0 | 111.5 | L283 L284 F290 L291 | L283-T287 WeakPolarHBondContact O-CG2 3.45Å; L283-T287 PolarHBondContact O-N 3.21Å; L283-T287 PolarHBondContact O-OG1 2.86Å; L284-T287 WeakPolarHBondContact CA-OG1 3.28Å; L284-T287 PolarHBondContact O-OG1 2.83Å; L284-T287 VanDerWaalsContact O-OG1 3.1Å; T287-F290 PolarHBondContact O-N 3.23Å; T287-L291 VanDerWaalsContact O-CB 3.25Å; T287-L291 WeakPolarHBondContact O-CB 3.22Å; T287-L291 WeakPolarHBondContact O-CD1 3.46Å; T287-L291 WeakPolarHBondContact O-CG 3.13Å; T287-L291 PolarHBondContact O-N 3.31Å |
| 288 | H | 87.2 | Confident | 81.7 | Confident | 125 Ų | 125 | 103.1 Ų | 103.1 | 58% | 0.579 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -68.9 | -37.1 | 173.8 | -157.9 | -65.8 | 0 | 0 | 0 | 112.5 | L284 T285 L286 T292 | L284-H288 VanDerWaalsContact O-CB 3.3Å; L284-H288 WeakPolarHBondContact O-CB 3.42Å; L284-H288 PolarHBondContact O-N 2.71Å; T285-H288 PolarHBondContact O-N 2.87Å; L286-H288 VanDerWaalsContact C-N 3.34Å; H288-T292 WeakPolarHBondContact O-CB 3.32Å; H288-T292 WeakPolarHBondContact O-CG2 3.43Å; H288-T292 PolarHBondContact O-N 2.89Å; H288-T292 PolarHBondContact O-OG1 3.41Å |
| 289 | I | 88.1 | Confident | 80.9 | Confident | 108 Ų | 108 | 97 Ų | 97 | 55% | 0.554 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.7 | -43.4 | 172 | -69.3 | 163.7 | 0 | 0 | 0 | 110.3 | T285 L286 T292 Y293 | T285-I289 WeakPolarHBondContact O-CB 3.36Å; T285-I289 VanDerWaalsContact O-CG1 3.25Å; T285-I289 WeakPolarHBondContact O-CG1 3.2Å; T285-I289 PolarHBondContact O-N 3.08Å; L286-I289 PolarHBondContact O-N 3.43Å; I289-T292 WeakPolarHBondContact CA-OG1 3.29Å; I289-T292 PolarHBondContact O-OG1 2.86Å; I289-T292 VanDerWaalsContact O-OG1 3.07Å; I289-Y293 VanDerWaalsContact O-CB 3.24Å; I289-Y293 WeakPolarHBondContact O-CB 3.31Å; I289-Y293 PolarHBondContact O-N 3.03Å |
| 290 | F | 87.1 | Confident | 80.3 | Confident | 138 Ų | 138 | 94.5 Ų | 94.5 | 61% | 0.605 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -65.2 | -43.1 | 176.4 | -178.4 | -101.2 | 0 | 0 | 0 | 112.2 | L286 T287 Y293 V294 | L286-F290 WeakPolarHBondContact O-CB 3.42Å; L286-F290 PolarHBondContact O-N 3.13Å; T287-F290 PolarHBondContact O-N 3.23Å; F290-Y293 PolarHBondContact O-N 2.99Å; F290-V294 HydrophobicContact CD1-CG2 4.18Å; F290-V294 HydrophobicContact CD2-CG2 4.48Å; F290-V294 HydrophobicContact CE1-CG2 3.79Å; F290-V294 HydrophobicContact CE2-CG2 4.1Å; F290-V294 HydrophobicContact CZ-CG2 3.74Å; F290-V294 WeakPolarHBondContact O-CB 3.48Å; F290-V294 VanDerWaalsContact O-CG2 3.3Å; F290-V294 WeakPolarHBondContact O-CG2 3.44Å; F290-V294 PolarHBondContact O-N 3.05Å |
| 291 | L | 84.1 | Confident | 79.3 | Confident | 97 Ų | 97 | 94.3 Ų | 94.3 | 51% | 0.508 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.2 | -42 | 177.1 | -76.5 | 166.3 | 0 | 0 | 0 | 111.9 | T287 V294 Q295 | T287-L291 VanDerWaalsContact O-CB 3.25Å; T287-L291 WeakPolarHBondContact O-CB 3.22Å; T287-L291 WeakPolarHBondContact O-CD1 3.46Å; T287-L291 WeakPolarHBondContact O-CG 3.13Å; T287-L291 PolarHBondContact O-N 3.31Å; L291-V294 PolarHBondContact O-N 2.85Å; L291-Q295 VanDerWaalsContact O-CB 3.29Å; L291-Q295 WeakPolarHBondContact O-CB 3.39Å; L291-Q295 VanDerWaalsContact O-CG 3.24Å; L291-Q295 WeakPolarHBondContact O-CG 3.36Å; L291-Q295 PolarHBondContact O-N 3.46Å |
| 292 | T | 80.8 | Confident | 78.2 | Confident | 63 Ų | 63 | 98.5 Ų | 98.5 | 39% | 0.387 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68.9 | -35.9 | 175.2 | 48.6 | 0 | 0 | 0 | 0 | 112.2 | H288 I289 Q295 S296 | H288-T292 WeakPolarHBondContact O-CB 3.32Å; H288-T292 WeakPolarHBondContact O-CG2 3.43Å; H288-T292 PolarHBondContact O-N 2.89Å; H288-T292 PolarHBondContact O-OG1 3.41Å; I289-T292 WeakPolarHBondContact CA-OG1 3.29Å; I289-T292 PolarHBondContact O-OG1 2.86Å; I289-T292 VanDerWaalsContact O-OG1 3.07Å; T292-Q295 PolarHBondContact O-N 3.17Å; T292-S296 PolarHBondContact O-N 3.23Å |
| 293 | Y | 83.2 | Confident | 76.8 | Confident | 140 Ų | 140 | 100.3 Ų | 100.3 | 55% | 0.549 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.8 | -51 | 170.1 | -178.6 | -94.8 | 0 | 0 | 0 | 111.2 | I289 F290 Q295 S296 F297 | I289-Y293 VanDerWaalsContact O-CB 3.24Å; I289-Y293 WeakPolarHBondContact O-CB 3.31Å; I289-Y293 PolarHBondContact O-N 3.03Å; F290-Y293 PolarHBondContact O-N 2.99Å; Y293-Q295 VanDerWaalsContact C-N 3.34Å; Y293-Q295 PolarHBondContact O-N 3.48Å; Y293-S296 WeakPolarHBondContact O-CB 3.1Å; Y293-S296 PolarHBondContact O-N 3.14Å; Y293-S296 PolarHBondContact O-OG 2.9Å; Y293-F297 HydrophobicContact CD1-CD2 4.35Å; Y293-F297 HydrophobicContact CD1-CE2 4.39Å; Y293-F297 HydrophobicContact CD2-CE2 4.26Å; Y293-F297 HydrophobicContact CE1-CD2 4.03Å; Y293-F297 AromaticContact CE1-CE2 3.79Å; Y293-F297 HydrophobicContact CE1-CE2 3.79Å; Y293-F297 HydrophobicContact CE2-CD2 4.48Å; Y293-F297 AromaticContact CE2-CE2 3.66Å; Y293-F297 HydrophobicContact CE2-CE2 3.66Å; Y293-F297 AromaticContact CZ-CE2 3.39Å; Y293-F297 WeakPolarHBondContact O-CD2 3.21Å; Y293-F297 PolarHBondContact O-N 3.38Å |
| 294 | V | 80.9 | Confident | 75.2 | Confident | 49 Ų | 49 | 101 Ų | 101 | 30% | 0.297 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.6 | -41.5 | 176.5 | 170.2 | 0 | 0 | 0 | 0 | 111.4 | F290 L291 S296 F297 L298 | F290-V294 HydrophobicContact CD1-CG2 4.18Å; F290-V294 HydrophobicContact CD2-CG2 4.48Å; F290-V294 HydrophobicContact CE1-CG2 3.79Å; F290-V294 HydrophobicContact CE2-CG2 4.1Å; F290-V294 HydrophobicContact CZ-CG2 3.74Å; F290-V294 WeakPolarHBondContact O-CB 3.48Å; F290-V294 VanDerWaalsContact O-CG2 3.3Å; F290-V294 WeakPolarHBondContact O-CG2 3.44Å; F290-V294 PolarHBondContact O-N 3.05Å; L291-V294 PolarHBondContact O-N 2.85Å; V294-S296 PolarHBondContact O-N 2.79Å; V294-F297 PolarHBondContact O-N 3.03Å; V294-L298 HydrophobicContact CG1-CD1 3.87Å; V294-L298 HydrophobicContact CG1-CG 4.14Å; V294-L298 WeakPolarHBondContact O-CG 3.34Å; V294-L298 PolarHBondContact O-N 3.21Å |
| 295 | Q | 71.7 | Confident | 73.7 | Confident | 132 Ų | 132 | 101.4 Ų | 101.4 | 62% | 0.617 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.3 | -24.1 | 173.4 | -78.3 | 175.7 | -20.6 | 0 | 0 | 113.6 | L291 T292 Y293 | L291-Q295 VanDerWaalsContact O-CB 3.29Å; L291-Q295 WeakPolarHBondContact O-CB 3.39Å; L291-Q295 VanDerWaalsContact O-CG 3.24Å; L291-Q295 WeakPolarHBondContact O-CG 3.36Å; L291-Q295 PolarHBondContact O-N 3.46Å; T292-Q295 PolarHBondContact O-N 3.17Å; Y293-Q295 VanDerWaalsContact C-N 3.34Å; Y293-Q295 PolarHBondContact O-N 3.48Å |
| 296 | S | 77.4 | Confident | 72.2 | Confident | 85 Ų | 85 | 102.6 Ų | 102.6 | 59% | 0.594 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -77.6 | -18.8 | 173.5 | 77.2 | 0 | 0 | 0 | 0 | 113.9 | T292 Y293 V294 | T292-S296 PolarHBondContact O-N 3.23Å; Y293-S296 WeakPolarHBondContact O-CB 3.1Å; Y293-S296 PolarHBondContact O-N 3.14Å; Y293-S296 PolarHBondContact O-OG 2.9Å; V294-S296 PolarHBondContact O-N 2.79Å |
| 297 | F | 68.3 | Low | 70.2 | Confident | 144 Ų | 144 | 105.8 Ų | 105.8 | 63% | 0.632 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -99.8 | -21.8 | 173.5 | -76.3 | -87.9 | 0 | 0 | 0 | 113.5 | Y293 V294 | Y293-F297 HydrophobicContact CD1-CD2 4.35Å; Y293-F297 HydrophobicContact CD1-CE2 4.39Å; Y293-F297 HydrophobicContact CD2-CE2 4.26Å; Y293-F297 HydrophobicContact CE1-CD2 4.03Å; Y293-F297 AromaticContact CE1-CE2 3.79Å; Y293-F297 HydrophobicContact CE1-CE2 3.79Å; Y293-F297 HydrophobicContact CE2-CD2 4.48Å; Y293-F297 AromaticContact CE2-CE2 3.66Å; Y293-F297 HydrophobicContact CE2-CE2 3.66Å; Y293-F297 AromaticContact CZ-CE2 3.39Å; Y293-F297 WeakPolarHBondContact O-CD2 3.21Å; Y293-F297 PolarHBondContact O-N 3.38Å; V294-F297 PolarHBondContact O-N 3.03Å |
| 298 | L | 63.4 | Low | 68.3 | Low | 95 Ų | 95 | 111 Ų | 111 | 50% | 0.497 | 54% | 0.541 | S | S | . | . | S | Bend | trans | -71.9 | 127.9 | 169.8 | -71 | 172.9 | 0 | 0 | 0 | 109.3 | V294 S300 | V294-L298 HydrophobicContact CG1-CD1 3.87Å; V294-L298 HydrophobicContact CG1-CG 4.14Å; V294-L298 WeakPolarHBondContact O-CG 3.34Å; V294-L298 PolarHBondContact O-N 3.21Å; L298-S300 PolarHBondContact O-N 3.19Å |
| 299 | P | 59.3 | Low | 67 | Low | 48 Ų | 48 | 107.5 Ų | 107.5 | 31% | 0.312 | 53% | 0.531 | S | S | . | . | P | Polyproline II helix | trans | -55 | 140.7 | 171.1 | -19.8 | 28.9 | 0 | 0 | 0 | 109.8 | Q303 | P299-Q303 HydrophobicContact CB-CB 3.71Š|
| 300 | S | 63.9 | Low | 66.5 | Low | 52 Ų | 52 | 105.8 Ų | 105.8 | 36% | 0.364 | 53% | 0.526 | S | S | . | . | P | Polyproline II helix | trans | -52.1 | 150.9 | 175 | 62.1 | 0 | 0 | 0 | 0 | 110.3 | L298 K302 Q303 W304 | L298-S300 PolarHBondContact O-N 3.19Å; S300-K302 CarbonylContact O-C 3.51Å; S300-K302 PolarHBondContact O-N 3.05Å; S300-Q303 CarbonylContact O-C 3.54Å; S300-Q303 WeakPolarHBondContact O-CA 3.04Å; S300-Q303 WeakPolarHBondContact O-CB 3.38Å; S300-Q303 PolarHBondContact O-N 2.83Å; S300-Q303 WeakPolarHBondContact OG-CG 3.21Å; S300-Q303 PolarHBondContact OG-N 3.29Å; S300-Q303 PolarHBondContact OG-OE1 3.17Å; S300-W304 PolarHBondContact O-N 2.91Å |
| 301 | P | 62.1 | Low | 66.7 | Low | 105 Ų | 105 | 100.2 Ų | 100.2 | 68% | 0.682 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -51.9 | -32.1 | -178.4 | -30.3 | 36 | 0 | 0 | 0 | 113.7 | W304 I305 | P301-W304 PolarHBondContact O-N 2.99Å; P301-I305 WeakPolarHBondContact O-CB 3.29Å; P301-I305 WeakPolarHBondContact O-CD1 3.03Å; P301-I305 WeakPolarHBondContact O-CG1 3.34Å; P301-I305 PolarHBondContact O-N 3.26Å |
| 302 | K | 59.4 | Low | 67.1 | Low | 164 Ų | 164 | 97.6 Ų | 97.6 | 71% | 0.713 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.7 | -50.1 | 171 | -68.6 | -178.4 | 178.2 | 175.8 | 0 | 112.7 | S300 W304 I305 D306 | S300-K302 CarbonylContact O-C 3.51Å; S300-K302 PolarHBondContact O-N 3.05Å; K302-W304 VanDerWaalsContact C-N 3.27Å; K302-W304 PolarHBondContact O-N 3.34Å; K302-I305 CarbonylContact O-C 3.58Å; K302-I305 PolarHBondContact O-N 3.17Å; K302-D306 WeakPolarHBondContact O-CB 3.38Å; K302-D306 VanDerWaalsContact O-CG 3.26Å; K302-D306 PolarHBondContact O-N 3.32Å |
| 303 | Q | 56.8 | Low | 67.8 | Low | 115 Ų | 115 | 94.7 Ų | 94.7 | 54% | 0.537 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.8 | -31.3 | 174.1 | -71 | 163.5 | -41.1 | 0 | 0 | 112.8 | P299 S300 K307 | P299-Q303 HydrophobicContact CB-CB 3.71Å; S300-Q303 CarbonylContact O-C 3.54Å; S300-Q303 WeakPolarHBondContact O-CA 3.04Å; S300-Q303 WeakPolarHBondContact O-CB 3.38Å; S300-Q303 PolarHBondContact O-N 2.83Å; S300-Q303 WeakPolarHBondContact OG-CG 3.21Å; S300-Q303 PolarHBondContact OG-N 3.29Å; S300-Q303 PolarHBondContact OG-OE1 3.17Å; Q303-K307 WeakPolarHBondContact O-CB 3.28Å; Q303-K307 PolarHBondContact O-N 3.16Å |
| 304 | W | 52.5 | Low | 68.4 | Low | 121 Ų | 121 | 94 Ų | 94 | 46% | 0.458 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -67.3 | -46.8 | 173.8 | -133.6 | 87.1 | 0 | 0 | 0 | 110.3 | S300 P301 K302 K307 W308 | S300-W304 PolarHBondContact O-N 2.91Å; P301-W304 PolarHBondContact O-N 2.99Å; K302-W304 VanDerWaalsContact C-N 3.27Å; K302-W304 PolarHBondContact O-N 3.34Å; W304-K307 PolarHBondContact O-N 3.47Å; W304-W308 HydrophobicContact CE3-CD2 4.49Å; W304-W308 HydrophobicContact CE3-CG 4.48Å; W304-W308 AromaticContact CE3-NE1 3.86Å; W304-W308 AromaticContact CH2-CE2 3.85Å; W304-W308 HydrophobicContact CH2-CH2 4.18Å; W304-W308 AromaticContact CH2-CZ2 3.54Å; W304-W308 HydrophobicContact CH2-CZ2 3.54Å; W304-W308 HydrophobicContact CZ2-CZ2 4.14Å; W304-W308 HydrophobicContact CZ3-CD2 4.18Å; W304-W308 AromaticContact CZ3-CE2 3.71Å; W304-W308 HydrophobicContact CZ3-CH2 4.38Å; W304-W308 AromaticContact CZ3-CZ2 3.83Å; W304-W308 HydrophobicContact CZ3-CZ2 3.83Å; W304-W308 AromaticContact CZ3-NE1 3.91Å; W304-W308 WeakPolarHBondContact O-CB 3.36Å; W304-W308 PolarHBondContact O-N 2.95Å; W304-W308 VanDerWaalsContact O-N 3.12Å |
| 305 | I | 57.2 | Low | 69 | Low | 113 Ų | 113 | 93.5 Ų | 93.5 | 58% | 0.579 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -64.1 | -41.9 | 174.1 | -69.2 | 162.9 | 0 | 0 | 0 | 111.6 | P301 K302 K307 W308 S309 | P301-I305 WeakPolarHBondContact O-CB 3.29Å; P301-I305 WeakPolarHBondContact O-CD1 3.03Å; P301-I305 WeakPolarHBondContact O-CG1 3.34Å; P301-I305 PolarHBondContact O-N 3.26Å; K302-I305 CarbonylContact O-C 3.58Å; K302-I305 PolarHBondContact O-N 3.17Å; I305-K307 PolarHBondContact O-N 3.29Å; I305-W308 CarbonylContact O-C 3.43Å; I305-W308 PolarHBondContact O-N 3.02Å; I305-S309 WeakPolarHBondContact O-CB 3.43Å; I305-S309 PolarHBondContact O-N 2.93Å |
| 306 | D | 56.3 | Low | 70.1 | Confident | 102 Ų | 102 | 87.2 Ų | 87.2 | 55% | 0.545 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -72.2 | -28.2 | -179.6 | -70.3 | -29.9 | 0 | 0 | 0 | 113 | K193 K302 W308 S309 | K193-D306 PolarHBondContact NZ-O 2.89Å; K302-D306 WeakPolarHBondContact O-CB 3.38Å; K302-D306 VanDerWaalsContact O-CG 3.26Å; K302-D306 PolarHBondContact O-N 3.32Å; D306-W308 VanDerWaalsContact C-N 3.34Å; D306-S309 WeakPolarHBondContact CA-OG 3.5Å; D306-S309 PolarHBondContact O-OG 2.97Å; D306-S309 VanDerWaalsContact O-OG 3.13Å |
| 307 | K | 47.4 | Very low | 71 | Confident | 162 Ų | 162 | 83.2 Ų | 83.2 | 70% | 0.704 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -72.7 | -27 | 170.8 | -179.1 | 176.2 | -179.4 | -179.2 | 0 | 112.3 | Q303 W304 I305 | Q303-K307 WeakPolarHBondContact O-CB 3.28Å; Q303-K307 PolarHBondContact O-N 3.16Å; W304-K307 PolarHBondContact O-N 3.47Å; I305-K307 PolarHBondContact O-N 3.29Å |
| 308 | W | 47.3 | Very low | 72.3 | Confident | 173 Ų | 173 | 78.2 Ų | 78.2 | 66% | 0.655 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -104.3 | -8.5 | -179.7 | -72.7 | 60.2 | 0 | 0 | 0 | 113.7 | W304 I305 D306 T310 | W304-W308 HydrophobicContact CE3-CD2 4.49Å; W304-W308 HydrophobicContact CE3-CG 4.48Å; W304-W308 AromaticContact CE3-NE1 3.86Å; W304-W308 AromaticContact CH2-CE2 3.85Å; W304-W308 HydrophobicContact CH2-CH2 4.18Å; W304-W308 AromaticContact CH2-CZ2 3.54Å; W304-W308 HydrophobicContact CH2-CZ2 3.54Å; W304-W308 HydrophobicContact CZ2-CZ2 4.14Å; W304-W308 HydrophobicContact CZ3-CD2 4.18Å; W304-W308 AromaticContact CZ3-CE2 3.71Å; W304-W308 HydrophobicContact CZ3-CH2 4.38Å; W304-W308 AromaticContact CZ3-CZ2 3.83Å; W304-W308 HydrophobicContact CZ3-CZ2 3.83Å; W304-W308 AromaticContact CZ3-NE1 3.91Å; W304-W308 WeakPolarHBondContact O-CB 3.36Å; W304-W308 PolarHBondContact O-N 2.95Å; W304-W308 VanDerWaalsContact O-N 3.12Å; I305-W308 CarbonylContact O-C 3.43Å; I305-W308 PolarHBondContact O-N 3.02Å; D306-W308 VanDerWaalsContact C-N 3.34Å; W308-T310 PolarHBondContact O-N 3.38Å |
| 309 | S | 60.7 | Low | 73.8 | Confident | 51 Ų | 51 | 76.4 Ų | 76.4 | 36% | 0.357 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -64.4 | 123.1 | 171.5 | 54.1 | 0 | 0 | 0 | 0 | 107.9 | K193 I305 D306 L311 | K193-S309 WeakPolarHBondContact CE-O 3.26Å; K193-S309 PolarHBondContact NZ-O 3.4Å; K193-S309 PolarHBondContact NZ-OG 2.67Å; I305-S309 WeakPolarHBondContact O-CB 3.43Å; I305-S309 PolarHBondContact O-N 2.93Å; D306-S309 WeakPolarHBondContact CA-OG 3.5Å; D306-S309 PolarHBondContact O-OG 2.97Å; D306-S309 VanDerWaalsContact O-OG 3.13Å; S309-L311 PolarHBondContact O-N 3.05Å |
| 310 | T | 77.6 | Confident | 75.5 | Confident | 73 Ų | 73 | 76.6 Ų | 76.6 | 45% | 0.448 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 131.3 | -170.4 | 33 | 0 | 0 | 0 | 0 | 110.2 | W308 T312 N378 | W308-T310 PolarHBondContact O-N 3.38Å; T310-T312 PolarHBondContact O-N 2.87Å; T310-N378 VanDerWaalsContact CB-ND2 3.31Å; T310-N378 WeakPolarHBondContact CB-ND2 3.16Å; T310-N378 PolarHBondContact OG1-ND2 3.48Å |
| 311 | L | 90.3 | Very high | 77.1 | Confident | 20 Ų | 20 | 74.3 Ų | 74.3 | 11% | 0.105 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 128.2 | 179.5 | 179.6 | 66.8 | 0 | 0 | 0 | 108.8 | L191 K193 S309 D315 V377 N378 | L191-L311 HydrophobicContact CB-CD2 3.84Å; L191-L311 HydrophobicContact CD2-CD2 4.2Å; K193-L311 HydrophobicContact CG-CD1 3.62Å; S309-L311 PolarHBondContact O-N 3.05Å; L311-D315 HydrophobicContact CD1-CB 3.62Å; L311-V377 HydrophobicContact CD2-CG2 4.31Å; L311-V377 CarbonylContact O-C 2.85Å; L311-V377 WeakPolarHBondContact O-CA 3.19Å; L311-N378 PolarHBondContact O-N 3.42Å |
| 312 | T | 93.7 | Very high | 78.6 | Confident | 43 Ų | 43 | 71.4 Ų | 71.4 | 26% | 0.264 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 160.2 | 177.5 | 65.6 | 0 | 0 | 0 | 0 | 111.6 | T310 E314 D315 C316 N378 | T310-T312 PolarHBondContact O-N 2.87Å; T312-E314 PolarHBondContact O-N 3.33Å; T312-D315 WeakPolarHBondContact CB-OD2 3.02Å; T312-D315 PolarHBondContact N-OD2 2.97Å; T312-D315 WeakPolarHBondContact O-CB 3.44Å; T312-D315 PolarHBondContact O-N 3.34Å; T312-D315 PolarHBondContact OG1-N 3.08Å; T312-D315 PolarHBondContact OG1-OD2 3.21Å; T312-C316 PolarHBondContact O-N 3.25Å; T312-C316 PolarHBondContact O-SG 3.34Å; T312-N378 CarbonylContact C-O 3.59Å; T312-N378 WeakPolarHBondContact CA-O 3.47Å; T312-N378 HydrophobicContact CG2-CB 4.18Å |
| 313 | L | 95.4 | Very high | 80.2 | Confident | 1 Ų | 1 | 68.2 Ų | 68.2 | 1% | 0.005 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.2 | -34.3 | 168.9 | -174.8 | 63.8 | 0 | 0 | 0 | 111.1 | L189 C316 L317 L358 L360 N378 F379 L384 L456 Y458 | L189-L313 HydrophobicContact CD1-CD1 3.71Å; L313-C316 WeakPolarHBondContact O-CB 3.48Å; L313-C316 PolarHBondContact O-N 2.89Å; L313-L317 HydrophobicContact CG-CD1 4.11Å; L313-L317 WeakPolarHBondContact O-CG 3.37Å; L313-L317 PolarHBondContact O-N 3.15Å; L313-L358 HydrophobicContact CD1-CD1 4.04Å; L313-L358 HydrophobicContact CD2-CD1 3.86Å; L313-L358 HydrophobicContact CG-CD1 4.33Å; L313-L360 HydrophobicContact CD1-CD2 4.13Å; L313-N378 PolarHBondContact N-O 2.99Å; L313-F379 HydrophobicContact CB-CB 4Å; L313-F379 HydrophobicContact CD2-CB 3.89Å; L313-F379 HydrophobicContact CG-CB 4.48Å; L313-L384 HydrophobicContact CD2-CD1 4.13Å; L313-L384 HydrophobicContact CD2-CD2 3.89Å; L313-L456 HydrophobicContact CD1-CD1 3.99Å; L313-L456 HydrophobicContact CD2-CD1 3.99Å; L313-Y458 HydrophobicContact CD2-CE2 3.78Å |
| 314 | E | 94.3 | Very high | 81.9 | Confident | 125 Ų | 125 | 65.1 Ų | 65.1 | 58% | 0.584 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -64.6 | -38.8 | 175.3 | -169.8 | -179.2 | 170.3 | 0 | 0 | 112.1 | T312 C316 S318 | T312-E314 PolarHBondContact O-N 3.33Å; E314-C316 VanDerWaalsContact C-N 3.33Å; E314-C316 PolarHBondContact O-N 2.92Å; E314-S318 WeakPolarHBondContact O-CB 3.43Å; E314-S318 PolarHBondContact O-N 3.01Å; E314-S318 PolarHBondContact O-OG 3.31Å |
| 315 | D | 94 | Very high | 83.8 | Confident | 39 Ų | 39 | 65 Ų | 65 | 21% | 0.209 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59 | -44.8 | 170.5 | -70.4 | -62.6 | 0 | 0 | 0 | 111.1 | K193 L311 T312 S318 H319 | K193-D315 HydrophobicContact CG-CB 4.32Å; L311-D315 HydrophobicContact CD1-CB 3.62Å; T312-D315 WeakPolarHBondContact CB-OD2 3.02Å; T312-D315 PolarHBondContact N-OD2 2.97Å; T312-D315 WeakPolarHBondContact O-CB 3.44Å; T312-D315 PolarHBondContact O-N 3.34Å; T312-D315 PolarHBondContact OG1-N 3.08Å; T312-D315 PolarHBondContact OG1-OD2 3.21Å; D315-S318 PolarHBondContact O-N 3.46Å; D315-H319 WeakPolarHBondContact O-CB 3.47Å; D315-H319 PolarHBondContact O-N 2.95Å |
| 316 | C | 95.4 | Very high | 85.4 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -67.3 | -43.2 | -177.9 | -59 | 0 | 0 | 0 | 0 | 111.7 | L189 T312 L313 E314 H319 Y320 | L189-C316 HydrophobicContact CB-CB 4.24Å; L189-C316 HydrophobicContact CD1-CB 4.19Å; T312-C316 PolarHBondContact O-N 3.25Å; T312-C316 PolarHBondContact O-SG 3.34Å; L313-C316 WeakPolarHBondContact O-CB 3.48Å; L313-C316 PolarHBondContact O-N 2.89Å; E314-C316 VanDerWaalsContact C-N 3.33Å; E314-C316 PolarHBondContact O-N 2.92Å; C316-H319 PolarHBondContact O-N 2.99Å; C316-Y320 WeakPolarHBondContact O-CB 3.45Å; C316-Y320 PolarHBondContact O-N 2.91Å |
| 317 | L | 96.4 | Very high | 87 | Confident | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.6 | -45.9 | 173.2 | -70.4 | 165.9 | 0 | 0 | 0 | 110.8 | L189 L313 H319 Y320 F321 L358 L384 L386 F389 | L189-L317 HydrophobicContact CD1-CD2 3.86Å; L189-L317 HydrophobicContact CD1-CG 4.09Å; L189-L317 HydrophobicContact CD2-CD2 3.95Å; L313-L317 HydrophobicContact CG-CD1 4.11Å; L313-L317 WeakPolarHBondContact O-CG 3.37Å; L313-L317 PolarHBondContact O-N 3.15Å; L317-H319 VanDerWaalsContact C-N 3.29Å; L317-H319 PolarHBondContact O-N 3.06Å; L317-Y320 WeakPolarHBondContact O-CB 3.5Å; L317-Y320 PolarHBondContact O-N 3.15Å; L317-Y320 VanDerWaalsContact O-N 3.1Å; L317-F321 HydrophobicContact CB-CD2 4.46Å; L317-F321 HydrophobicContact CD2-CE2 4.06Å; L317-F321 WeakPolarHBondContact O-CD2 3.35Å; L317-F321 PolarHBondContact O-N 3.07Å; L317-L358 HydrophobicContact CD2-CD2 4.44Å; L317-L384 HydrophobicContact CD1-CD1 4.06Å; L317-L386 HydrophobicContact CD1-CD2 4.13Å; L317-F389 HydrophobicContact CB-CD2 4.48Å; L317-F389 HydrophobicContact CB-CE1 4.38Å; L317-F389 HydrophobicContact CB-CE2 3.76Å; L317-F389 HydrophobicContact CB-CZ 3.7Å; L317-F389 HydrophobicContact CD1-CE2 4.14Å; L317-F389 HydrophobicContact CG-CE2 4.49Å |
| 318 | S | 95.7 | Very high | 88.8 | Confident | 39 Ų | 39 | 54.2 Ų | 54.2 | 27% | 0.273 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.8 | -37.3 | 177.3 | -63.9 | 0 | 0 | 0 | 0 | 112.4 | E314 D315 S322 | E314-S318 WeakPolarHBondContact O-CB 3.43Å; E314-S318 PolarHBondContact O-N 3.01Å; E314-S318 PolarHBondContact O-OG 3.31Å; D315-S318 PolarHBondContact O-N 3.46Å; S318-S322 WeakPolarHBondContact O-CB 3.45Å; S318-S322 PolarHBondContact O-N 2.96Å; S318-S322 VanDerWaalsContact O-N 3.12Å |
| 319 | H | 94.4 | Very high | 90.6 | Very high | 58 Ų | 58 | 54.4 Ų | 54.4 | 27% | 0.269 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -66 | -48.2 | 171.3 | 179.9 | 88.5 | 0 | 0 | 0 | 111.4 | T192 D315 C316 L317 F321 S322 | T192-H319 WeakPolarHBondContact O-CB 3.45Å; T192-H319 PolarHBondContact OG1-CD2 3.07Å; T192-H319 VanDerWaalsContact OG1-CD2 3.22Å; T192-H319 PolarHBondContact OG1-CE1 3.49Å; T192-H319 VanDerWaalsContact OG1-CE1 3.3Å; T192-H319 VanDerWaalsContact OG1-CG 3.28Å; T192-H319 PolarHBondContact OG1-ND1 2.85Å; T192-H319 PolarHBondContact OG1-NE2 3.09Å; D315-H319 WeakPolarHBondContact O-CB 3.47Å; D315-H319 PolarHBondContact O-N 2.95Å; C316-H319 PolarHBondContact O-N 2.99Å; L317-H319 VanDerWaalsContact C-N 3.29Å; L317-H319 PolarHBondContact O-N 3.06Å; H319-F321 VanDerWaalsContact C-N 3.31Å; H319-F321 PolarHBondContact O-N 2.83Å; H319-S322 WeakPolarHBondContact O-CB 3.46Å; H319-S322 PolarHBondContact O-N 3.39Å; H319-S322 VanDerWaalsContact O-N 3.13Å; H319-S322 PolarHBondContact O-OG 3.14Å |
| 320 | Y | 95.1 | Very high | 91.8 | Very high | 51 Ų | 51 | 55.8 Ų | 55.8 | 20% | 0.2 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.6 | -38.5 | 179.2 | -174 | -90.2 | 0 | 0 | 0 | 113.2 | L187 L189 C316 L317 F347 | L187-Y320 HydrophobicContact CD2-CE1 4.07Å; L189-Y320 HydrophobicContact CD2-CD1 4.47Å; L189-Y320 HydrophobicContact CD2-CD2 3.94Å; L189-Y320 HydrophobicContact CD2-CG 3.85Å; C316-Y320 WeakPolarHBondContact O-CB 3.45Å; C316-Y320 PolarHBondContact O-N 2.91Å; L317-Y320 WeakPolarHBondContact O-CB 3.5Å; L317-Y320 PolarHBondContact O-N 3.15Å; L317-Y320 VanDerWaalsContact O-N 3.1Å; Y320-F347 HydrophobicContact CE1-CD2 4.06Å |
| 321 | F | 96.2 | Very high | 92.2 | Very high | 5 Ų | 5 | 52.3 Ų | 52.3 | 2% | 0.022 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 6.4 | 178.5 | -64.5 | -67.4 | 0 | 0 | 0 | 114.3 | L187 L317 H319 F347 R348 L349 F389 | L187-F321 HydrophobicContact CD1-CZ 4.15Å; L317-F321 HydrophobicContact CB-CD2 4.46Å; L317-F321 HydrophobicContact CD2-CE2 4.06Å; L317-F321 WeakPolarHBondContact O-CD2 3.35Å; L317-F321 PolarHBondContact O-N 3.07Å; H319-F321 VanDerWaalsContact C-N 3.31Å; H319-F321 PolarHBondContact O-N 2.83Å; F321-F347 HydrophobicContact CD1-CB 3.85Å; F321-F347 WeakPolarHBondContact CD1-O 3.43Å; F321-F347 HydrophobicContact CE1-CB 4.15Å; F321-R348 PolarHBondContact O-NH1 3.35Å; F321-L349 HydrophobicContact CE1-CD1 4.48Å; F321-L349 HydrophobicContact CE1-CD2 4.14Å; F321-L349 HydrophobicContact CE1-CG 3.91Å; F321-L349 HydrophobicContact CE2-CD1 4.39Å; F321-L349 HydrophobicContact CZ-CD1 3.85Å; F321-L349 HydrophobicContact CZ-CD2 3.89Å; F321-L349 HydrophobicContact CZ-CG 3.72Å; F321-F389 HydrophobicContact CB-CD1 3.75Å; F321-F389 HydrophobicContact CB-CE1 4.45Å; F321-F389 HydrophobicContact CB-CG 4.43Å; F321-F389 HydrophobicContact CD1-CB 4.32Å; F321-F389 HydrophobicContact CD2-CB 3.57Å; F321-F389 AromaticContact CD2-CD1 3.38Å; F321-F389 HydrophobicContact CD2-CD1 3.38Å; F321-F389 HydrophobicContact CD2-CD2 4.02Å; F321-F389 HydrophobicContact CD2-CE1 4.07Å; F321-F389 AromaticContact CD2-CG 3.34Å; F321-F389 HydrophobicContact CD2-CG 3.34Å; F321-F389 HydrophobicContact CE1-CB 4.47Å; F321-F389 HydrophobicContact CE2-CB 3.75Å; F321-F389 HydrophobicContact CE2-CD1 4.25Å; F321-F389 HydrophobicContact CE2-CD2 4.1Å; F321-F389 AromaticContact CE2-CG 3.75Å; F321-F389 HydrophobicContact CE2-CG 3.75Å; F321-F389 HydrophobicContact CG-CB 3.89Å; F321-F389 AromaticContact CG-CD1 3.8Å; F321-F389 HydrophobicContact CG-CD1 3.8Å; F321-F389 AromaticContact CG-CG 4Å; F321-F389 HydrophobicContact CG-CG 4Å; F321-F389 HydrophobicContact CZ-CB 4.21Å |
| 322 | S | 94.2 | Very high | 92.2 | Very high | 44 Ų | 44 | 52.6 Ų | 52.6 | 31% | 0.308 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -72.8 | 169.9 | 174.3 | 71.5 | 0 | 0 | 0 | 0 | 112.6 | S318 H319 | S318-S322 WeakPolarHBondContact O-CB 3.45Å; S318-S322 PolarHBondContact O-N 2.96Å; S318-S322 VanDerWaalsContact O-N 3.12Å; H319-S322 WeakPolarHBondContact O-CB 3.46Å; H319-S322 PolarHBondContact O-N 3.39Å; H319-S322 VanDerWaalsContact O-N 3.13Å; H319-S322 PolarHBondContact O-OG 3.14Å |
| 323 | E | 93.1 | Very high | 92.2 | Very high | 96 Ų | 96 | 56.3 Ų | 56.3 | 45% | 0.449 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -79.6 | 118.7 | 170.2 | -63.1 | -164.9 | 152 | 0 | 0 | 109.8 | K345 Q346 | E323-K345 WeakPolarHBondContact CA-O 3.49Å; E323-Q346 HydrophobicContact CG-CB 4.25Å; E323-Q346 HydrophobicContact CG-CG 4.34Å |
| 324 | A | 92 | Very high | 92.2 | Very high | 51 Ų | 51 | 56.3 Ų | 56.3 | 42% | 0.421 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 133.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111 | L344 K345 | A324-L344 WeakPolarHBondContact O-CA 3.33Å; A324-K345 PolarHBondContact N-O 2.98Å; A324-K345 PolarHBondContact O-N 2.94Å |
| 325 | E | 92.8 | Very high | 92.1 | Very high | 117 Ų | 117 | 52.9 Ų | 52.9 | 55% | 0.547 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 122.2 | 176.3 | -151.7 | -169.4 | 166.4 | 0 | 0 | 111.1 | L172 V327 L344 | L172-E325 HydrophobicContact CD1-CG 4.33Å; E325-V327 HydrophobicContact CB-CG1 4.25Å; E325-V327 HydrophobicContact CG-CG1 3.58Å; E325-V327 WeakPolarHBondContact OE1-CG1 3.5Å; E325-L344 HydrophobicContact CB-CD2 4.29Å; E325-L344 HydrophobicContact CG-CD2 4.07Å |
| 326 | L | 90.9 | Very high | 92.1 | Very high | 31 Ų | 31 | 59.5 Ų | 59.5 | 16% | 0.162 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 106.6 | 170.8 | -60.3 | -175.9 | 0 | 0 | 0 | 108.3 | V169 Y332 N342 G343 K345 | V169-L326 HydrophobicContact CG1-CD1 4.21Å; L326-Y332 HydrophobicContact CD1-CD1 4.44Å; L326-N342 CarbonylContact O-C 3.56Å; L326-N342 WeakPolarHBondContact O-CA 3.45Å; L326-N342 WeakPolarHBondContact O-CB 3.19Å; L326-G343 PolarHBondContact N-O 2.87Å; L326-G343 PolarHBondContact O-N 2.91Å; L326-K345 HydrophobicContact CD1-CB 3.99Å; L326-K345 HydrophobicContact CD1-CD 4.42Å; L326-K345 HydrophobicContact CD2-CB 4.31Å; L326-K345 HydrophobicContact CD2-CD 4.39Å; L326-K345 HydrophobicContact CG-CB 4.01Å |
| 327 | V | 89.3 | Confident | 92 | Very high | 62 Ų | 62 | 61.2 Ų | 61.2 | 38% | 0.376 | 33% | 0.333 | S | S | . | . | trans | -129 | 157 | -177.4 | -60.4 | 0 | 0 | 0 | 0 | 112.2 | E325 E329 N330 | E325-V327 HydrophobicContact CB-CG1 4.25Å; E325-V327 HydrophobicContact CG-CG1 3.58Å; E325-V327 WeakPolarHBondContact OE1-CG1 3.5Å; V327-E329 PolarHBondContact O-N 3.33Å; V327-N330 WeakPolarHBondContact O-CB 3.42Å; V327-N330 PolarHBondContact O-N 2.83Å; V327-N330 VanDerWaalsContact O-N 3.16Å | ||
| 328 | G | 85.5 | Confident | 91.8 | Very high | 58 Ų | 58 | 67.3 Ų | 67.3 | 60% | 0.598 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | 60 | -129.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | N330 G331 | G328-N330 PolarHBondContact O-N 3.35Å; G328-G331 PolarHBondContact O-N 2.92Å |
| 329 | E | 85.1 | Confident | 91.7 | Very high | 177 Ų | 177 | 72.4 Ų | 72.4 | 83% | 0.827 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -61.9 | -32.1 | 179.2 | -60.1 | -178.7 | 167.2 | 0 | 0 | 112.3 | V327 G331 R340 | V327-E329 PolarHBondContact O-N 3.33Å; E329-G331 PolarHBondContact O-N 2.85Å; E329-R340 PolarHBondContact O-NH2 2.87Å |
| 330 | N | 87.1 | Confident | 91.7 | Very high | 80 Ų | 80 | 76.6 Ų | 76.6 | 43% | 0.428 | 39% | 0.392 | S | S | . | . | G | 310 helix | trans | -76.1 | -4 | 174.7 | -65.3 | -24.9 | 0 | 0 | 0 | 113.4 | V327 G328 | V327-N330 WeakPolarHBondContact O-CB 3.42Å; V327-N330 PolarHBondContact O-N 2.83Å; V327-N330 VanDerWaalsContact O-N 3.16Å; G328-N330 PolarHBondContact O-N 3.35Å |
| 331 | G | 85.9 | Confident | 91.6 | Very high | 1 Ų | 1 | 74.4 Ų | 74.4 | 1% | 0.01 | 38% | 0.384 | C | S | . | . | trans | -59.2 | 136.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | G328 E329 R340 | G328-G331 PolarHBondContact O-N 2.92Å; E329-G331 PolarHBondContact O-N 2.85Å; G331-R340 PolarHBondContact O-NE 2.91Å; G331-R340 PolarHBondContact O-NH2 2.73Å; G331-R340 VanDerWaalsContact O-NH2 3.13Å | ||
| 332 | Y | 90.8 | Very high | 91.5 | Very high | 26 Ų | 26 | 77.4 Ų | 77.4 | 10% | 0.102 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 154.9 | -173.5 | 87.8 | -75.7 | 0 | 0 | 0 | 112.4 | V169 C171 L326 C334 R340 C341 | V169-Y332 HydrophobicContact CG1-CD1 3.62Å; V169-Y332 HydrophobicContact CG1-CD2 3.88Å; V169-Y332 HydrophobicContact CG1-CE1 3.57Å; V169-Y332 HydrophobicContact CG1-CE2 3.84Å; V169-Y332 HydrophobicContact CG1-CG 3.76Å; C171-Y332 WeakPolarHBondContact CA-OH 3.37Å; C171-Y332 WeakPolarHBondContact CB-OH 3.44Å; C171-Y332 PolarHBondContact N-OH 2.76Å; L326-Y332 HydrophobicContact CD1-CD1 4.44Å; Y332-C334 HydrophobicContact CE2-CB 3.98Å; Y332-C334 PolarHBondContact O-N 2.96Å; Y332-R340 CarbonylContact O-C 3.51Å; Y332-R340 VanDerWaalsContact O-CA 3.31Å; Y332-R340 WeakPolarHBondContact O-CA 3.27Å; Y332-C341 WeakPolarHBondContact CD1-O 3.46Å; Y332-C341 PolarHBondContact N-O 3.17Å; Y332-C341 VanDerWaalsContact N-O 3.13Å; Y332-C341 PolarHBondContact O-N 2.95Å |
| 333 | F | 93.2 | Very high | 91.5 | Very high | 121 Ų | 121 | 75.3 Ų | 75.3 | 53% | 0.531 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 111.1 | 176.3 | -169.2 | -91.9 | 0 | 0 | 0 | 111.5 | G335 N338 | F333-G335 PolarHBondContact O-N 2.9Å; F333-N338 WeakPolarHBondContact CZ-OD1 3.41Å |
| 334 | C | 94.2 | Very high | 91.7 | Very high | 1 Ų | 1 | 72.9 Ų | 72.9 | 1% | 0.007 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 105.6 | 178.8 | -176.1 | 0 | 0 | 0 | 0 | 110.8 | C174 Y332 R336 C337 N338 R339 C341 | C174-C334 VanDerWaalsContact SG-SG 3.69Å; Y332-C334 HydrophobicContact CE2-CB 3.98Å; Y332-C334 PolarHBondContact O-N 2.96Å; C334-R336 PolarHBondContact O-N 3.26Å; C334-C337 HydrophobicContact CB-CB 4.06Å; C334-C337 CarbonylContact O-C 3.55Å; C334-C337 PolarHBondContact O-N 2.87Å; C334-N338 PolarHBondContact O-N 3.08Å; C334-R339 PolarHBondContact N-O 2.78Å; C334-C341 HydrophobicContact CB-CB 4.18Å |
| 335 | G | 92.6 | Very high | 91.8 | Very high | 52 Ų | 52 | 72.3 Ų | 72.3 | 54% | 0.536 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | 3.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | R176 F333 | R176-G335 VanDerWaalsContact NH1-C 3.31Å; R176-G335 PolarHBondContact NH1-O 3.38Å; F333-G335 PolarHBondContact O-N 2.9Å |
| 336 | R | 93.5 | Very high | 92 | Very high | 178 Ų | 178 | 68.8 Ų | 68.8 | 67% | 0.672 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.7 | -30.5 | 165.6 | -167.3 | -177.5 | -160.4 | -171.5 | 8.4 | 112.6 | C334 | C334-R336 PolarHBondContact O-N 3.26Š|
| 337 | C | 94.3 | Very high | 92.3 | Very high | 37 Ų | 37 | 68.7 Ų | 68.7 | 25% | 0.25 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -13.4 | 175.7 | -55.9 | 0 | 0 | 0 | 0 | 112.7 | C174 C334 R339 | C174-C337 PolarHBondContact SG-SG 2.98Å; C334-C337 HydrophobicContact CB-CB 4.06Å; C334-C337 CarbonylContact O-C 3.55Å; C334-C337 PolarHBondContact O-N 2.87Å; C337-R339 HydrophobicContact CB-CG 3.86Å; C337-R339 PolarHBondContact O-N 2.73Å |
| 338 | N | 93 | Very high | 92.7 | Very high | 129 Ų | 129 | 68.7 Ų | 68.7 | 69% | 0.69 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | 34.7 | -174.4 | -155.3 | 38.9 | 0 | 0 | 0 | 114.1 | F333 C334 | F333-N338 WeakPolarHBondContact CZ-OD1 3.41Å; C334-N338 PolarHBondContact O-N 3.08Å |
| 339 | R | 93.1 | Very high | 93.3 | Very high | 145 Ų | 145 | 66 Ų | 66 | 55% | 0.547 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 167.4 | -179.4 | 69.5 | -178.4 | -169.3 | 177 | 2.4 | 111.1 | S173 C334 C337 | S173-R339 PolarHBondContact OG-NH2 2.88Å; C334-R339 PolarHBondContact N-O 2.78Å; C337-R339 HydrophobicContact CB-CG 3.86Å; C337-R339 PolarHBondContact O-N 2.73Å |
| 340 | R | 93.7 | Very high | 93.9 | Very high | 146 Ų | 146 | 58.2 Ų | 58.2 | 55% | 0.551 | 28% | 0.275 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 131.3 | 165.2 | -61.7 | -173.9 | 89.9 | 125.6 | -7.7 | 109.4 | E329 G331 Y332 H791 | E329-R340 PolarHBondContact O-NH2 2.87Å; G331-R340 PolarHBondContact O-NE 2.91Å; G331-R340 PolarHBondContact O-NH2 2.73Å; G331-R340 VanDerWaalsContact O-NH2 3.13Å; Y332-R340 CarbonylContact O-C 3.51Å; Y332-R340 VanDerWaalsContact O-CA 3.31Å; Y332-R340 WeakPolarHBondContact O-CA 3.27Å; R340-H791 PolarHBondContact NH2-NE2 2.85Å |
| 341 | C | 92.5 | Very high | 94.3 | Very high | 5 Ų | 5 | 55 Ų | 55 | 3% | 0.034 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 155.1 | -178.9 | -70.6 | 0 | 0 | 0 | 0 | 110 | Y332 C334 | Y332-C341 WeakPolarHBondContact CD1-O 3.46Å; Y332-C341 PolarHBondContact N-O 3.17Å; Y332-C341 VanDerWaalsContact N-O 3.13Å; Y332-C341 PolarHBondContact O-N 2.95Å; C334-C341 HydrophobicContact CB-CB 4.18Å |
| 342 | N | 95.6 | Very high | 94.9 | Very high | 69 Ų | 69 | 55.3 Ų | 55.3 | 37% | 0.369 | 26% | 0.261 | S | S | . | . | trans | -65.4 | 149 | 163.9 | -62.6 | 12.1 | 0 | 0 | 0 | 110 | L172 L326 | L172-N342 HydrophobicContact CB-CB 4.36Å; L172-N342 HydrophobicContact CD1-CB 4.07Å; L172-N342 PolarHBondContact N-O 2.83Å; L326-N342 CarbonylContact O-C 3.56Å; L326-N342 WeakPolarHBondContact O-CA 3.45Å; L326-N342 WeakPolarHBondContact O-CB 3.19Å | ||
| 343 | G | 94.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 163.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | R170 L326 | R170-G343 CarbonylContact O-C 3.56Å; R170-G343 WeakPolarHBondContact O-CA 3.38Å; L326-G343 PolarHBondContact N-O 2.87Å; L326-G343 PolarHBondContact O-N 2.91Å |
| 344 | L | 95.9 | Very high | 95.3 | Very high | 44 Ų | 44 | 48.9 Ų | 48.9 | 23% | 0.23 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 121 | 169 | -63.7 | 170.5 | 0 | 0 | 0 | 108.3 | V169 R170 L172 A324 E325 | V169-L344 CarbonylContact C-O 3.59Å; V169-L344 WeakPolarHBondContact CA-O 3.47Å; R170-L344 HydrophobicContact CB-CB 4.46Å; R170-L344 PolarHBondContact N-O 3.15Å; R170-L344 PolarHBondContact O-N 2.86Å; L172-L344 HydrophobicContact CD1-CG 4.44Å; L172-L344 HydrophobicContact CD2-CD1 4.02Å; L172-L344 HydrophobicContact CD2-CG 4.02Å; L172-L344 HydrophobicContact CG-CG 4.43Å; A324-L344 WeakPolarHBondContact O-CA 3.33Å; E325-L344 HydrophobicContact CB-CD2 4.29Å; E325-L344 HydrophobicContact CG-CD2 4.07Å |
| 345 | K | 95.5 | Very high | 95.5 | Very high | 40 Ų | 40 | 48.9 Ų | 48.9 | 17% | 0.174 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 135.3 | 175.9 | -175.5 | 179.2 | -176.3 | -171.5 | 0 | 109.3 | S167 S168 V169 E323 A324 L326 F347 | S167-K345 WeakPolarHBondContact OG-CE 3.36Å; S168-K345 CarbonylContact O-C 3.51Å; S168-K345 WeakPolarHBondContact O-CA 3.36Å; V169-K345 HydrophobicContact CG2-CB 4.32Å; V169-K345 HydrophobicContact CG2-CG 4.11Å; E323-K345 WeakPolarHBondContact CA-O 3.49Å; A324-K345 PolarHBondContact N-O 2.98Å; A324-K345 PolarHBondContact O-N 2.94Å; L326-K345 HydrophobicContact CD1-CB 3.99Å; L326-K345 HydrophobicContact CD1-CD 4.42Å; L326-K345 HydrophobicContact CD2-CB 4.31Å; L326-K345 HydrophobicContact CD2-CD 4.39Å; L326-K345 HydrophobicContact CG-CB 4.01Å; K345-F347 HydrophobicContact CD-CZ 4.41Å |
| 346 | Q | 96.4 | Very high | 95.8 | Very high | 43 Ų | 43 | 46.4 Ų | 46.4 | 20% | 0.201 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 147.3 | 175.2 | -174.2 | 177.3 | 73.7 | 0 | 0 | 110 | S168 E323 | S168-Q346 PolarHBondContact N-O 3.47Å; S168-Q346 PolarHBondContact O-N 2.99Å; E323-Q346 HydrophobicContact CG-CB 4.25Å; E323-Q346 HydrophobicContact CG-CG 4.34Å |
| 347 | F | 97.1 | Very high | 96 | Very high | 29 Ų | 29 | 38 Ų | 38 | 13% | 0.127 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 149 | 172.7 | -60.3 | -66.5 | 0 | 0 | 0 | 111.4 | L165 I166 S167 Y320 F321 K345 | L165-F347 HydrophobicContact CD1-CD1 3.59Å; L165-F347 HydrophobicContact CD1-CE1 4Å; L165-F347 HydrophobicContact CD2-CD1 4.18Å; L165-F347 HydrophobicContact CD2-CG 4.47Å; I166-F347 WeakPolarHBondContact O-CA 3.47Å; S167-F347 WeakPolarHBondContact OG-CE1 3.29Å; Y320-F347 HydrophobicContact CE1-CD2 4.06Å; F321-F347 HydrophobicContact CD1-CB 3.85Å; F321-F347 WeakPolarHBondContact CD1-O 3.43Å; F321-F347 HydrophobicContact CE1-CB 4.15Å; K345-F347 HydrophobicContact CD-CZ 4.41Å |
| 348 | R | 97.8 | Very high | 96.2 | Very high | 62 Ų | 62 | 36.3 Ų | 36.3 | 23% | 0.234 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 143 | 167.6 | -72.5 | -64.9 | -179.5 | -90.9 | 5.8 | 110.2 | L165 I166 F321 F389 H391 | L165-R348 CarbonylContact C-O 3.55Å; L165-R348 WeakPolarHBondContact CA-O 3.32Å; L165-R348 WeakPolarHBondContact CB-O 3.44Å; I166-R348 PolarHBondContact N-O 2.88Å; I166-R348 PolarHBondContact O-N 3Å; F321-R348 PolarHBondContact O-NH1 3.35Å; R348-F389 WeakPolarHBondContact CA-O 3.3Å; R348-F389 VanDerWaalsContact CD-O 3.27Å; R348-F389 WeakPolarHBondContact CD-O 3.47Å; R348-H391 HydrophobicContact CB-CB 3.84Å |
| 349 | L | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 128 | -178.6 | -64.6 | 168.9 | 0 | 0 | 0 | 111.1 | L165 F184 F321 L352 L386 F389 L390 H391 | L165-L349 HydrophobicContact CB-CD2 4.46Å; F184-L349 HydrophobicContact CE1-CD2 3.61Å; F184-L349 HydrophobicContact CZ-CD2 3.65Å; F321-L349 HydrophobicContact CE1-CD1 4.48Å; F321-L349 HydrophobicContact CE1-CD2 4.14Å; F321-L349 HydrophobicContact CE1-CG 3.91Å; F321-L349 HydrophobicContact CE2-CD1 4.39Å; F321-L349 HydrophobicContact CZ-CD1 3.85Å; F321-L349 HydrophobicContact CZ-CD2 3.89Å; F321-L349 HydrophobicContact CZ-CG 3.72Å; L349-L352 HydrophobicContact CB-CD2 4.05Å; L349-L352 HydrophobicContact CD1-CD2 3.72Å; L349-L352 HydrophobicContact CG-CD2 4.35Å; L349-L386 HydrophobicContact CD1-CB 4.28Å; L349-L386 HydrophobicContact CD1-CD1 4Å; L349-F389 HydrophobicContact CD1-CB 4.09Å; L349-F389 PolarHBondContact N-O 2.86Å; L349-L390 HydrophobicContact CB-CD2 3.98Å; L349-L390 HydrophobicContact CD1-CD2 4.4Å; L349-L390 CarbonylContact O-C 3.5Å; L349-H391 WeakPolarHBondContact O-CB 3.48Å; L349-H391 PolarHBondContact O-N 3.21Å |
| 350 | V | 97.2 | Very high | 96.6 | Very high | 14 Ų | 14 | 24 Ų | 24 | 9% | 0.085 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | -16.3 | 177.3 | 72.8 | 0 | 0 | 0 | 0 | 113 | R164 I166 E181 H391 D393 | R164-V350 HydrophobicContact CB-CG1 3.73Å; R164-V350 PolarHBondContact O-N 3Å; I166-V350 HydrophobicContact CD1-CB 4.09Å; I166-V350 HydrophobicContact CD1-CG1 4.42Å; I166-V350 HydrophobicContact CD1-CG2 4.07Å; I166-V350 HydrophobicContact CG1-CB 4.23Å; I166-V350 HydrophobicContact CG1-CG1 4.14Å; E181-V350 HydrophobicContact CG-CG1 4.23Å; V350-H391 HydrophobicContact CB-CB 4.34Å; V350-D393 HydrophobicContact CG2-CB 4.29Å |
| 351 | A | 96.7 | Very high | 96.6 | Very high | 13 Ų | 13 | 19.3 Ų | 19.3 | 11% | 0.107 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 141 | 163.2 | 0 | 0 | 0 | 0 | 0 | 111 | G163 R164 D396 | G163-A351 WeakPolarHBondContact CA-O 2.99Å; R164-A351 HydrophobicContact CB-CB 3.97Å; R164-A351 HydrophobicContact CG-CB 4.34Å; R164-A351 PolarHBondContact N-O 3.25Å; R164-A351 PolarHBondContact O-N 3.01Å; R164-A351 VanDerWaalsContact O-N 3.08Å; A351-D396 VanDerWaalsContact CA-OD2 3.3Å; A351-D396 WeakPolarHBondContact CA-OD2 3.4Å |
| 352 | L | 97.4 | Very high | 96.5 | Very high | 8 Ų | 8 | 19 Ų | 19 | 4% | 0.042 | 9% | 0.092 | C | C | . | . | trans | -102.1 | 130.6 | -178 | -65.8 | -172.5 | 0 | 0 | 0 | 111.6 | L349 L386 L390 D396 T399 Y401 K460 | L349-L352 HydrophobicContact CB-CD2 4.05Å; L349-L352 HydrophobicContact CD1-CD2 3.72Å; L349-L352 HydrophobicContact CG-CD2 4.35Å; L352-L386 HydrophobicContact CD2-CB 4.48Å; L352-L386 HydrophobicContact CD2-CD1 3.91Å; L352-L390 HydrophobicContact CD1-CD2 4.13Å; L352-L390 HydrophobicContact CD2-CD2 3.92Å; L352-L390 HydrophobicContact CG-CD2 4.23Å; L352-D396 HydrophobicContact CB-CB 4.27Å; L352-D396 HydrophobicContact CD1-CB 4.12Å; L352-D396 HydrophobicContact CG-CB 4.23Å; L352-D396 PolarHBondContact N-OD2 3.29Å; L352-T399 HydrophobicContact CD1-CG2 4.12Å; L352-Y401 WeakPolarHBondContact CB-OH 3.46Å; L352-Y401 HydrophobicContact CD1-CE2 4.49Å; L352-K460 WeakPolarHBondContact O-CE 3.42Å; L352-K460 PolarHBondContact O-NZ 3.14Å | ||
| 353 | P | 97.1 | Very high | 96 | Very high | 4 Ų | 4 | 17.9 Ų | 17.9 | 3% | 0.026 | 8% | 0.084 | C | C | . | . | trans | -76 | 150.7 | 177.3 | 32.4 | -34.8 | 0 | 0 | 0 | 111.6 | F161 F184 I355 L356 Y401 K460 | F161-P353 WeakPolarHBondContact O-CB 3.42Å; F184-P353 HydrophobicContact CE2-CG 4.35Å; P353-I355 VanDerWaalsContact C-N 3.33Å; P353-L356 HydrophobicContact CG-CB 4.17Å; P353-L356 HydrophobicContact CG-CD1 4.04Å; P353-Y401 WeakPolarHBondContact O-CE1 3.29Å; P353-Y401 PolarHBondContact O-OH 2.81Å; P353-K460 VanDerWaalsContact O-CE 3.29Å; P353-K460 WeakPolarHBondContact O-CE 3.22Å | ||
| 354 | E | 96.1 | Very high | 95.2 | Very high | 8 Ų | 8 | 20 Ų | 20 | 4% | 0.037 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -65 | -37.6 | 175 | -65 | -57 | 113.9 | 0 | 0 | 112 | V160 K460 W494 A495 | V160-E354 PolarHBondContact O-N 3.39Å; V160-E354 VanDerWaalsContact O-N 3.15Å; E354-K460 PolarHBondContact O-N 3.18Å; E354-K460 VanDerWaalsContact OE1-CD 3.29Å; E354-K460 WeakPolarHBondContact OE1-CD 3.43Å; E354-K460 WeakPolarHBondContact OE1-CE 3.48Å; E354-K460 IonicContact OE1-NZ 3.7Å; E354-K460 PolarHBondContact OE1-NZ 3.43Å; E354-W494 HydrophobicContact CG-CB 4.47Å; E354-W494 HydrophobicContact CG-CD2 3.77Å; E354-W494 HydrophobicContact CG-CE3 3.64Å; E354-W494 HydrophobicContact CG-CG 4.17Å; E354-W494 HydrophobicContact CG-CZ3 4.14Å; E354-W494 WeakPolarHBondContact OE2-CA 3.37Å; E354-W494 WeakPolarHBondContact OE2-CB 3.29Å; E354-A495 PolarHBondContact OE2-N 2.69Å |
| 355 | I | 97.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 110.4 | 166.2 | -58.6 | -59.6 | 0 | 0 | 0 | 110 | C46 H48 V160 F161 P353 I404 F457 Y458 R459 | C46-I355 HydrophobicContact CB-CG1 4.41Å; H48-I355 VanDerWaalsContact CE1-CD1 3.42Å; H48-I355 WeakPolarHBondContact CE1-CD1 3.46Å; H48-I355 VanDerWaalsContact ND1-CD1 3.34Å; H48-I355 WeakPolarHBondContact ND1-CD1 3.37Å; V160-I355 HydrophobicContact CG1-CB 3.96Å; V160-I355 HydrophobicContact CG1-CG1 3.58Å; V160-I355 PolarHBondContact O-N 3.15Å; F161-I355 HydrophobicContact CD1-CB 3.86Å; F161-I355 HydrophobicContact CD1-CG2 3.8Å; F161-I355 HydrophobicContact CE1-CB 3.81Å; F161-I355 HydrophobicContact CE1-CG2 3.47Å; F161-I355 VanDerWaalsContact CE1-CG2 3.47Å; F161-I355 HydrophobicContact CZ-CG2 4.43Å; P353-I355 VanDerWaalsContact C-N 3.33Å; I355-I404 HydrophobicContact CD1-CD1 3.7Å; I355-F457 HydrophobicContact CG2-CD1 4.1Å; I355-Y458 CarbonylContact C-O 3.59Å; I355-Y458 WeakPolarHBondContact CA-O 3.29Å; I355-R459 HydrophobicContact CD1-CB 3.77Å; I355-R459 HydrophobicContact CD1-CG 4.36Å |
| 356 | L | 98.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 115.2 | 173.3 | 177.3 | 78.2 | 0 | 0 | 0 | 110.2 | F184 L187 P353 L358 L384 L386 Y401 Y458 | F184-L356 HydrophobicContact CE2-CD1 4.37Å; L187-L356 HydrophobicContact CD1-CD1 4.29Å; P353-L356 HydrophobicContact CG-CB 4.17Å; P353-L356 HydrophobicContact CG-CD1 4.04Å; L356-L358 HydrophobicContact CD1-CD2 3.92Å; L356-L358 HydrophobicContact CD2-CD1 3.92Å; L356-L358 HydrophobicContact CD2-CD2 3.89Å; L356-L358 HydrophobicContact CD2-CG 3.95Å; L356-L358 HydrophobicContact CG-CD1 4.47Å; L356-L358 HydrophobicContact CG-CD2 3.75Å; L356-L358 HydrophobicContact CG-CG 3.95Å; L356-L384 HydrophobicContact CD2-CD2 4.2Å; L356-L386 HydrophobicContact CD1-CD1 4.29Å; L356-L386 HydrophobicContact CD2-CD1 3.87Å; L356-L386 HydrophobicContact CD2-CD2 4.47Å; L356-Y401 HydrophobicContact CB-CD1 3.85Å; L356-Y401 HydrophobicContact CB-CE1 3.47Å; L356-Y401 VanDerWaalsContact CB-CE1 3.47Å; L356-Y401 HydrophobicContact CD2-CD1 4.44Å; L356-Y401 HydrophobicContact CD2-CE1 4.46Å; L356-Y458 PolarHBondContact N-O 3.38Å; L356-Y458 PolarHBondContact O-N 2.99Å |
| 357 | T | 98.5 | Very high | 91.1 | Very high | 3 Ų | 3 | 25 Ų | 25 | 2% | 0.018 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 119.5 | 174.1 | -48.4 | 0 | 0 | 0 | 0 | 110.1 | L116 D186 L187 I455 F457 | L116-T357 HydrophobicContact CD2-CG2 4.08Å; D186-T357 CarbonylContact C-O 3.51Å; D186-T357 VanDerWaalsContact CA-O 3.29Å; D186-T357 WeakPolarHBondContact CA-O 3.4Å; D186-T357 HydrophobicContact CB-CG2 4.03Å; L187-T357 PolarHBondContact N-O 3.19Å; T357-I455 HydrophobicContact CG2-CG2 3.53Å; T357-F457 HydrophobicContact CG2-CE1 4.16Å; T357-F457 HydrophobicContact CG2-CZ 4.23Å |
| 358 | L | 98.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 109.3 | 178.7 | -55.9 | 178.7 | 0 | 0 | 0 | 110.3 | L187 L189 L313 L317 L356 L384 I455 L456 Y458 | L187-L358 HydrophobicContact CB-CD2 3.83Å; L187-L358 HydrophobicContact CD1-CD2 4.08Å; L187-L358 HydrophobicContact CG-CD2 4.34Å; L189-L358 HydrophobicContact CD1-CB 4.33Å; L189-L358 HydrophobicContact CD1-CD1 4.43Å; L189-L358 HydrophobicContact CD1-CD2 4.39Å; L313-L358 HydrophobicContact CD1-CD1 4.04Å; L313-L358 HydrophobicContact CD2-CD1 3.86Å; L313-L358 HydrophobicContact CG-CD1 4.33Å; L317-L358 HydrophobicContact CD2-CD2 4.44Å; L356-L358 HydrophobicContact CD1-CD2 3.92Å; L356-L358 HydrophobicContact CD2-CD1 3.92Å; L356-L358 HydrophobicContact CD2-CD2 3.89Å; L356-L358 HydrophobicContact CD2-CG 3.95Å; L356-L358 HydrophobicContact CG-CD1 4.47Å; L356-L358 HydrophobicContact CG-CD2 3.75Å; L356-L358 HydrophobicContact CG-CG 3.95Å; L358-L384 HydrophobicContact CD1-CD2 4.16Å; L358-I455 CarbonylContact O-C 3.58Å; L358-I455 WeakPolarHBondContact O-CA 3.34Å; L358-L456 HydrophobicContact CB-CB 4.29Å; L358-L456 PolarHBondContact N-O 2.91Å; L358-L456 PolarHBondContact O-N 3.32Å; L358-Y458 HydrophobicContact CD1-CD2 3.98Å; L358-Y458 HydrophobicContact CD1-CE2 4.11Å |
| 359 | H | 97.9 | Very high | 88.4 | Confident | 16 Ų | 16 | 34.9 Ų | 34.9 | 7% | 0.074 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 128.2 | 172.9 | 159.9 | -139.2 | 0 | 0 | 0 | 109.8 | Q113 L187 S188 L189 Y454 | Q113-H359 HydrophobicContact CG-CB 4.01Å; L187-H359 PolarHBondContact O-N 2.95Å; S188-H359 CarbonylContact C-O 3.55Å; S188-H359 WeakPolarHBondContact CA-O 3.37Å; S188-H359 WeakPolarHBondContact CB-ND1 3.46Å; S188-H359 PolarHBondContact OG-ND1 3.22Å; L189-H359 PolarHBondContact N-O 3.23Å; H359-Y454 AromaticContact CD2-CE2 3.51Å; H359-Y454 AromaticContact CD2-CZ 3.71Å; H359-Y454 AromaticContact NE2-CE2 3.29Å; H359-Y454 VanDerWaalsContact NE2-CE2 3.29Å; H359-Y454 WeakPolarHBondContact NE2-CE2 3.36Å; H359-Y454 AromaticContact NE2-CZ 3.49Å; H359-Y454 PolarHBondContact NE2-OH 3.31Å |
| 360 | L | 96.6 | Very high | 87.5 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 108.7 | 174.3 | -60.2 | -176.5 | 0 | 0 | 0 | 109.2 | L189 L191 L313 R362 V377 Y454 L456 | L189-L360 HydrophobicContact CB-CD2 4.47Å; L189-L360 HydrophobicContact CD1-CD2 4.36Å; L191-L360 HydrophobicContact CD2-CB 4.15Å; L191-L360 HydrophobicContact CD2-CD2 4.08Å; L313-L360 HydrophobicContact CD1-CD2 4.13Å; L360-R362 HydrophobicContact CB-CG 4.49Å; L360-R362 PolarHBondContact O-N 3.47Å; L360-V377 HydrophobicContact CD1-CB 4.21Å; L360-V377 HydrophobicContact CD1-CG1 4.3Å; L360-V377 HydrophobicContact CD1-CG2 4.27Å; L360-Y454 PolarHBondContact N-O 3.47Å; L360-Y454 WeakPolarHBondContact O-CD2 3.32Å; L360-Y454 WeakPolarHBondContact O-CE2 3.45Å; L360-L456 HydrophobicContact CD1-CD1 4.42Å |
| 361 | K | 93.4 | Very high | 86.8 | Confident | 47 Ų | 47 | 39.4 Ų | 39.4 | 20% | 0.204 | 21% | 0.209 | C | C | . | . | trans | -65.4 | 72.9 | -178.6 | -68.8 | 180 | 172.7 | 174.4 | 0 | 111.8 | S188 L189 | S188-K361 VanDerWaalsContact CB-CE 3.49Å; S188-K361 WeakPolarHBondContact O-CE 3.48Å; L189-K361 VanDerWaalsContact O-CB 3.3Å; L189-K361 WeakPolarHBondContact O-CB 3.32Å; L189-K361 WeakPolarHBondContact O-CG 3.36Å; L189-K361 PolarHBondContact O-N 3.1Å | ||
| 362 | R | 90.8 | Very high | 86.4 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | trans | -79.6 | -30.7 | -179.3 | -75.1 | -173.2 | -174.2 | -83.7 | 5.2 | 112.8 | L191 L360 K372 L373 S375 K450 A453 Y454 | L191-R362 HydrophobicContact CD1-CG 3.65Å; L360-R362 HydrophobicContact CB-CG 4.49Å; L360-R362 PolarHBondContact O-N 3.47Å; R362-K372 HydrophobicContact CB-CG 4.28Å; R362-K372 CarbonylContact O-C 3.58Å; R362-K372 WeakPolarHBondContact O-CA 3.31Å; R362-L373 WeakPolarHBondContact CD-O 3.39Å; R362-L373 WeakPolarHBondContact CG-O 3.26Å; R362-L373 PolarHBondContact NH1-O 3.07Å; R362-L373 PolarHBondContact O-N 2.85Å; R362-S375 PolarHBondContact NH1-O 2.78Å; R362-K450 PolarHBondContact NH2-O 2.91Å; R362-A453 VanDerWaalsContact CZ-O 3.28Å; R362-A453 PolarHBondContact NE-O 2.89Å; R362-A453 PolarHBondContact NH2-O 3.2Å; R362-Y454 HydrophobicContact CB-CD2 4.44Å | ||
| 363 | F | 84.9 | Confident | 85.8 | Confident | 45 Ų | 45 | 43.8 Ų | 43.8 | 20% | 0.197 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 128.4 | 179.3 | -57.3 | -67.9 | 0 | 0 | 0 | 110.6 | K372 H409 Y454 | F363-K372 HydrophobicContact CD1-CB 4.05Å; F363-K372 HydrophobicContact CD1-CG 4.07Å; F363-K372 HydrophobicContact CE1-CB 4.25Å; F363-K372 HydrophobicContact CE1-CD 3.96Å; F363-K372 HydrophobicContact CE1-CG 4.02Å; F363-H409 AromaticContact CE1-CE1 3.76Å; F363-H409 AromaticContact CE1-ND1 3.71Å; F363-H409 AromaticContact CZ-CE1 3.43Å; F363-H409 VanDerWaalsContact CZ-CE1 3.43Å; F363-H409 WeakPolarHBondContact CZ-CE1 3.42Å; F363-H409 AromaticContact CZ-ND1 3.22Å; F363-H409 WeakPolarHBondContact CZ-ND1 3.17Å; F363-Y454 AromaticContact CD2-CE2 3.76Å; F363-Y454 HydrophobicContact CD2-CE2 3.76Å; F363-Y454 AromaticContact CD2-CZ 3.84Å; F363-Y454 WeakPolarHBondContact CD2-OH 3.35Å; F363-Y454 HydrophobicContact CE2-CD2 4.4Å; F363-Y454 HydrophobicContact CE2-CE1 4.24Å; F363-Y454 AromaticContact CE2-CE2 3.67Å; F363-Y454 HydrophobicContact CE2-CE2 3.67Å; F363-Y454 AromaticContact CE2-CZ 3.57Å |
| 364 | S | 77 | Confident | 85.1 | Confident | 43 Ų | 43 | 48 Ų | 48 | 30% | 0.301 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 126.2 | 169.6 | -179.6 | 0 | 0 | 0 | 0 | 108.8 | S371 | S364-S371 PolarHBondContact N-O 3.21Å; S364-S371 PolarHBondContact O-N 3.28Å; S364-S371 PolarHBondContact O-OG 3.19Å |
| 365 | S | 64.5 | Low | 84.6 | Confident | 38 Ų | 38 | 50 Ų | 50 | 27% | 0.266 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 114.4 | 175.1 | -65.1 | 0 | 0 | 0 | 0 | 109.3 | S370 T786 | S365-S370 WeakPolarHBondContact OG-CB 3.29Å; S365-S370 PolarHBondContact OG-OG 3.11Å; S365-T786 WeakPolarHBondContact CB-OG1 3.27Å |
| 366 | N | 69.4 | Low | 84.2 | Confident | 82 Ų | 82 | 52.5 Ų | 52.5 | 44% | 0.439 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 161 | 163.8 | -73.1 | -28.9 | 0 | 0 | 0 | 108.4 | L368 Y369 | N366-L368 PolarHBondContact O-N 2.98Å; N366-Y369 HydrophobicContact CB-CE1 4.38Å; N366-Y369 PolarHBondContact N-O 3.13Å; N366-Y369 PolarHBondContact ND2-OH 2.83Å; N366-Y369 PolarHBondContact O-N 3.14Å; N366-Y369 VanDerWaalsContact O-N 3.1Å; N366-Y369 VanDerWaalsContact O-O 3.12Å |
| 367 | H | 68.3 | Low | 84 | Confident | 113 Ų | 113 | 52.5 Ų | 52.5 | 52% | 0.523 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52 | -17.1 | -179.5 | -70.1 | -112.6 | 0 | 0 | 0 | 115.4 | Y785 | H367-Y785 HydrophobicContact CB-CE1 3.92Å; H367-Y785 AromaticContact CE1-CD1 3.81Å; H367-Y785 AromaticContact CE1-CE1 3.64Å; H367-Y785 AromaticContact CE1-CE2 3.95Å; H367-Y785 AromaticContact CE1-CZ 3.69Å; H367-Y785 AromaticContact CG-CE1 3.58Å; H367-Y785 AromaticContact ND1-CD1 3.59Å; H367-Y785 AromaticContact ND1-CE1 2.98Å; H367-Y785 WeakPolarHBondContact ND1-CE1 3.48Å; H367-Y785 AromaticContact ND1-CE2 3.77Å; H367-Y785 AromaticContact ND1-CZ 3.07Å; H367-Y785 PolarHBondContact ND1-OH 3.03Å |
| 368 | L | 69.2 | Low | 83.8 | Confident | 165 Ų | 165 | 54.4 Ų | 54.4 | 86% | 0.864 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.3 | -20 | -175.9 | -63.3 | 172.3 | 0 | 0 | 0 | 114.3 | N366 | N366-L368 PolarHBondContact O-N 2.98Š|
| 369 | Y | 69.7 | Low | 83.7 | Confident | 134 Ų | 134 | 55.1 Ų | 55.1 | 53% | 0.525 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.5 | 145.4 | -177.4 | 63.3 | -88.1 | 0 | 0 | 0 | 111.8 | N366 | N366-Y369 HydrophobicContact CB-CE1 4.38Å; N366-Y369 PolarHBondContact N-O 3.13Å; N366-Y369 PolarHBondContact ND2-OH 2.83Å; N366-Y369 PolarHBondContact O-N 3.14Å; N366-Y369 VanDerWaalsContact O-N 3.1Å; N366-Y369 VanDerWaalsContact O-O 3.12Å |
| 370 | S | 78.8 | Confident | 83.6 | Confident | 67 Ų | 67 | 56.7 Ų | 56.7 | 47% | 0.469 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 140.1 | 164.8 | -57.6 | 0 | 0 | 0 | 0 | 110.3 | S365 C413 | S365-S370 WeakPolarHBondContact OG-CB 3.29Å; S365-S370 PolarHBondContact OG-OG 3.11Å; S370-C413 VanDerWaalsContact CB-CB 3.49Å |
| 371 | S | 83.3 | Confident | 83.6 | Confident | 42 Ų | 42 | 60.2 Ų | 60.2 | 29% | 0.294 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 148.3 | -179 | 61 | 0 | 0 | 0 | 0 | 111.3 | S364 C413 | S364-S371 PolarHBondContact N-O 3.21Å; S364-S371 PolarHBondContact O-N 3.28Å; S364-S371 PolarHBondContact O-OG 3.19Å; S371-C413 PolarHBondContact N-SG 3.29Å; S371-C413 VanDerWaalsContact N-SG 3.39Å; S371-C413 PolarHBondContact O-SG 3.46Å |
| 372 | K | 87 | Confident | 83.6 | Confident | 39 Ų | 39 | 63.9 Ų | 63.9 | 17% | 0.17 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 125.9 | 177.7 | -178.4 | -173.5 | 170.7 | -176.9 | 0 | 109.8 | R362 F363 S374 H409 G411 | R362-K372 HydrophobicContact CB-CG 4.28Å; R362-K372 CarbonylContact O-C 3.58Å; R362-K372 WeakPolarHBondContact O-CA 3.31Å; F363-K372 HydrophobicContact CD1-CB 4.05Å; F363-K372 HydrophobicContact CD1-CG 4.07Å; F363-K372 HydrophobicContact CE1-CB 4.25Å; F363-K372 HydrophobicContact CE1-CD 3.96Å; F363-K372 HydrophobicContact CE1-CG 4.02Å; K372-S374 PolarHBondContact O-N 3.49Å; K372-H409 WeakPolarHBondContact CE-ND1 3.5Å; K372-H409 VanDerWaalsContact NZ-C 3.29Å; K372-H409 PolarHBondContact NZ-ND1 3.15Å; K372-H409 PolarHBondContact NZ-O 2.91Å; K372-G411 WeakPolarHBondContact CD-O 3.34Å; K372-G411 PolarHBondContact NZ-O 3.14Å |
| 373 | L | 84.6 | Confident | 83.8 | Confident | 74 Ų | 74 | 68.7 Ų | 68.7 | 39% | 0.387 | 37% | 0.374 | S | S | . | . | trans | -75 | 103.2 | 173.8 | -62.5 | 175.4 | 0 | 0 | 0 | 110 | L191 R362 S375 | L191-L373 HydrophobicContact CB-CD1 4.05Å; L191-L373 HydrophobicContact CD1-CB 4.14Å; L191-L373 HydrophobicContact CD1-CD1 4.15Å; R362-L373 WeakPolarHBondContact CD-O 3.39Å; R362-L373 WeakPolarHBondContact CG-O 3.26Å; R362-L373 PolarHBondContact NH1-O 3.07Å; R362-L373 PolarHBondContact O-N 2.85Å; L373-S375 VanDerWaalsContact C-N 3.32Å | ||
| 374 | S | 83.7 | Confident | 84.4 | Confident | 92 Ų | 92 | 67 Ų | 67 | 64% | 0.643 | 37% | 0.367 | S | S | * | . | trans | -85.5 | 2.2 | 175.7 | 54.4 | 0 | 0 | 0 | 0 | 114.1 | K372 | K372-S374 PolarHBondContact O-N 3.49Š| ||
| 375 | S | 84.2 | Confident | 85.3 | Confident | 50 Ų | 50 | 68.4 Ų | 68.4 | 35% | 0.35 | 37% | 0.371 | S | S | . | . | trans | -60 | 133 | 179.8 | 51.8 | 0 | 0 | 0 | 0 | 111.4 | R362 L373 | R362-S375 PolarHBondContact NH1-O 2.78Å; L373-S375 VanDerWaalsContact C-N 3.32Å | ||
| 376 | P | 90.9 | Very high | 86.9 | Confident | 53 Ų | 53 | 66.6 Ų | 66.6 | 34% | 0.344 | 36% | 0.358 | S | S | . | . | trans | -64.1 | 137.2 | 177.9 | 24.8 | -32.9 | 0 | 0 | 0 | 111.4 | K450 | P376-K450 CarbonylContact C-O 3.57Å; P376-K450 VanDerWaalsContact CA-O 3.32Å; P376-K450 WeakPolarHBondContact CA-O 3.22Å; P376-K450 HydrophobicContact CB-CB 4.09Å | ||
| 377 | V | 93.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 118.6 | 173.7 | -176.7 | 0 | 0 | 0 | 0 | 108.1 | L191 L311 L360 F379 K450 | L191-V377 HydrophobicContact CD1-CG2 4.28Å; L191-V377 HydrophobicContact CD2-CG2 3.8Å; L311-V377 HydrophobicContact CD2-CG2 4.31Å; L311-V377 CarbonylContact O-C 2.85Å; L311-V377 WeakPolarHBondContact O-CA 3.19Å; L360-V377 HydrophobicContact CD1-CB 4.21Å; L360-V377 HydrophobicContact CD1-CG1 4.3Å; L360-V377 HydrophobicContact CD1-CG2 4.27Å; V377-F379 WeakPolarHBondContact O-CD1 3.27Å; V377-F379 PolarHBondContact O-N 3.46Å; V377-K450 PolarHBondContact N-O 3.13Å; V377-K450 WeakPolarHBondContact O-CB 3.19Å; V377-K450 WeakPolarHBondContact O-CG 3.43Å |
| 378 | N | 94.6 | Very high | 89.5 | Confident | 42 Ų | 42 | 63.6 Ų | 63.6 | 23% | 0.225 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 106.3 | 176.2 | -86.1 | -28.6 | 0 | 0 | 0 | 110.3 | T310 L311 T312 L313 K450 | T310-N378 VanDerWaalsContact CB-ND2 3.31Å; T310-N378 WeakPolarHBondContact CB-ND2 3.16Å; T310-N378 PolarHBondContact OG1-ND2 3.48Å; L311-N378 PolarHBondContact O-N 3.42Å; T312-N378 CarbonylContact C-O 3.59Å; T312-N378 WeakPolarHBondContact CA-O 3.47Å; T312-N378 HydrophobicContact CG2-CB 4.18Å; L313-N378 PolarHBondContact N-O 2.99Å; N378-K450 VanDerWaalsContact OD1-CD 3.24Å; N378-K450 WeakPolarHBondContact OD1-CD 3.45Å; N378-K450 VanDerWaalsContact OD1-CE 3.23Å; N378-K450 WeakPolarHBondContact OD1-CE 3.48Å; N378-K450 PolarHBondContact OD1-NZ 3.36Å |
| 379 | F | 96.1 | Very high | 90.9 | Very high | 15 Ų | 15 | 56.4 Ų | 56.4 | 7% | 0.066 | 32% | 0.316 | C | S | . | . | trans | -112.1 | 141.4 | 172 | 50.5 | -97.2 | 0 | 0 | 0 | 110.8 | L313 V377 L403 V406 L449 K450 A453 L456 | L313-F379 HydrophobicContact CB-CB 4Å; L313-F379 HydrophobicContact CD2-CB 3.89Å; L313-F379 HydrophobicContact CG-CB 4.48Å; V377-F379 WeakPolarHBondContact O-CD1 3.27Å; V377-F379 PolarHBondContact O-N 3.46Å; F379-L403 HydrophobicContact CD2-CD2 3.85Å; F379-L403 HydrophobicContact CE2-CD2 3.73Å; F379-V406 HydrophobicContact CE2-CG2 4.26Å; F379-V406 HydrophobicContact CZ-CG2 4.45Å; F379-L449 HydrophobicContact CZ-CB 4.28Å; F379-K450 HydrophobicContact CE1-CG 4.22Å; F379-K450 HydrophobicContact CZ-CG 4.41Å; F379-A453 HydrophobicContact CD1-CB 4.49Å; F379-A453 HydrophobicContact CE1-CB 3.47Å; F379-A453 VanDerWaalsContact CE1-CB 3.47Å; F379-A453 HydrophobicContact CZ-CB 3.82Å; F379-L456 HydrophobicContact CB-CD1 3.8Å; F379-L456 HydrophobicContact CD1-CD1 3.98Å; F379-L456 HydrophobicContact CD1-CD2 3.96Å; F379-L456 HydrophobicContact CD2-CD2 4.14Å; F379-L456 HydrophobicContact CE1-CD2 3.95Å; F379-L456 HydrophobicContact CE2-CD2 4.13Å; F379-L456 HydrophobicContact CG-CD1 3.85Å; F379-L456 HydrophobicContact CG-CD2 4.06Å; F379-L456 HydrophobicContact CZ-CD2 4.04Å | ||
| 380 | P | 95.5 | Very high | 92.2 | Very high | 49 Ų | 49 | 52 Ų | 52 | 32% | 0.318 | 30% | 0.302 | S | S | . | . | trans | -78.2 | 140.6 | 179.9 | 32.2 | -35.6 | 0 | 0 | 0 | 111.4 | L384 Y458 | P380-L384 HydrophobicContact CG-CB 3.94Å; P380-L384 HydrophobicContact CG-CD1 4.11Å; P380-Y458 WeakPolarHBondContact CD-OH 3.42Å; P380-Y458 WeakPolarHBondContact O-CE1 3.2Å; P380-Y458 PolarHBondContact O-OH 3.01Å | ||
| 381 | L | 95.3 | Very high | 93.1 | Very high | 75 Ų | 75 | 50.2 Ų | 50.2 | 39% | 0.393 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -74.1 | -27.2 | 174 | -60.2 | -177.6 | 0 | 0 | 0 | 112.8 | L403 W430 M446 | L381-L403 HydrophobicContact CD2-CD2 3.62Å; L381-L403 PolarHBondContact O-N 2.67Å; L381-W430 HydrophobicContact CD2-CZ2 4.4Å; L381-M446 HydrophobicContact CD1-CE 4.31Å; L381-M446 HydrophobicContact CD2-CE 3.76Å |
| 382 | K | 94.9 | Very high | 93.6 | Very high | 124 Ų | 124 | 58.4 Ų | 58.4 | 54% | 0.539 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -140.4 | 153.7 | -178.9 | -65.8 | -173.6 | 176 | 176.2 | 0 | 111.4 | D402 | K382-D402 WeakPolarHBondContact CA-OD1 3.43Å; K382-D402 VanDerWaalsContact CB-OD1 3.3Å; K382-D402 WeakPolarHBondContact CB-OD1 3.5Å; K382-D402 HydrophobicContact CG-CB 4.47Å |
| 383 | N | 94.5 | Very high | 94 | Very high | 100 Ų | 100 | 60.6 Ų | 60.6 | 54% | 0.535 | 32% | 0.324 | S | S | . | . | trans | 57.2 | 43.6 | 175 | -48 | -51.5 | 0 | 0 | 0 | 115.2 | D385 Y401 D402 | N383-D385 PolarHBondContact O-N 3.27Å; N383-Y401 CarbonylContact C-O 3.55Å; N383-Y401 WeakPolarHBondContact CA-O 3.35Å; N383-Y401 PolarHBondContact N-O 3.24Å; N383-D402 PolarHBondContact N-OD1 3.03Å | ||
| 384 | L | 96.9 | Very high | 94.5 | Very high | 11 Ų | 11 | 58.3 Ų | 58.3 | 6% | 0.058 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 114 | 163.1 | 174.2 | 64.4 | 0 | 0 | 0 | 108.9 | L313 L317 L356 L358 P380 L386 T400 Y401 Y458 | L313-L384 HydrophobicContact CD2-CD1 4.13Å; L313-L384 HydrophobicContact CD2-CD2 3.89Å; L317-L384 HydrophobicContact CD1-CD1 4.06Å; L356-L384 HydrophobicContact CD2-CD2 4.2Å; L358-L384 HydrophobicContact CD1-CD2 4.16Å; P380-L384 HydrophobicContact CG-CB 3.94Å; P380-L384 HydrophobicContact CG-CD1 4.11Å; L384-L386 HydrophobicContact CG-CD2 4.43Å; L384-T400 CarbonylContact O-C 3.53Å; L384-T400 VanDerWaalsContact O-CA 3.31Å; L384-T400 WeakPolarHBondContact O-CA 3.37Å; L384-Y401 PolarHBondContact N-O 2.86Å; L384-Y401 PolarHBondContact O-N 3.39Å; L384-Y458 HydrophobicContact CB-CD1 4.18Å; L384-Y458 HydrophobicContact CB-CE1 3.86Å; L384-Y458 HydrophobicContact CD2-CD1 3.93Å; L384-Y458 HydrophobicContact CD2-CD2 3.93Å; L384-Y458 HydrophobicContact CD2-CE1 3.86Å; L384-Y458 HydrophobicContact CD2-CE2 3.82Å; L384-Y458 HydrophobicContact CD2-CG 3.98Å |
| 385 | D | 96.9 | Very high | 95 | Very high | 71 Ų | 71 | 64.9 Ų | 64.9 | 38% | 0.38 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 123.4 | -179.4 | -178.9 | 21.8 | 0 | 0 | 0 | 111.8 | N383 S387 T399 T400 | N383-D385 PolarHBondContact O-N 3.27Å; D385-S387 WeakPolarHBondContact OD1-CB 3.32Å; D385-S387 PolarHBondContact OD1-N 3Å; D385-S387 PolarHBondContact OD1-OG 3.01Å; D385-S387 PolarHBondContact OD2-OG 2.83Å; D385-T399 PolarHBondContact OD1-OG1 3.44Å; D385-T400 HydrophobicContact CB-CG2 4.41Å |
| 386 | L | 97.5 | Very high | 95.5 | Very high | 1 Ų | 1 | 64.4 Ų | 64.4 | 1% | 0.005 | 32% | 0.318 | C | S | . | . | trans | -96.1 | -2.3 | 174.2 | -61.7 | -170.9 | 0 | 0 | 0 | 114.1 | L317 L349 L352 L356 L384 P388 F389 T399 Y401 | L317-L386 HydrophobicContact CD1-CD2 4.13Å; L349-L386 HydrophobicContact CD1-CB 4.28Å; L349-L386 HydrophobicContact CD1-CD1 4Å; L352-L386 HydrophobicContact CD2-CB 4.48Å; L352-L386 HydrophobicContact CD2-CD1 3.91Å; L356-L386 HydrophobicContact CD1-CD1 4.29Å; L356-L386 HydrophobicContact CD2-CD1 3.87Å; L356-L386 HydrophobicContact CD2-CD2 4.47Å; L384-L386 HydrophobicContact CG-CD2 4.43Å; L386-P388 VanDerWaalsContact C-N 3.28Å; L386-P388 VanDerWaalsContact O-N 3.14Å; L386-F389 HydrophobicContact CD2-CD2 4.12Å; L386-F389 HydrophobicContact CD2-CE2 4.44Å; L386-F389 PolarHBondContact O-N 3.26Å; L386-T399 PolarHBondContact N-O 3.31Å; L386-Y401 HydrophobicContact CD1-CD2 4.14Å; L386-Y401 HydrophobicContact CD1-CE2 3.56Å; L386-Y401 HydrophobicContact CG-CD2 4.15Å; L386-Y401 HydrophobicContact CG-CE2 3.98Å | ||
| 387 | S | 96.3 | Very high | 95.5 | Very high | 50 Ų | 50 | 70.2 Ų | 70.2 | 35% | 0.35 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -48.4 | -38.1 | 179.4 | -52.9 | 0 | 0 | 0 | 0 | 114.7 | D385 F389 T399 | D385-S387 WeakPolarHBondContact OD1-CB 3.32Å; D385-S387 PolarHBondContact OD1-N 3Å; D385-S387 PolarHBondContact OD1-OG 3.01Å; D385-S387 PolarHBondContact OD2-OG 2.83Å; S387-F389 PolarHBondContact O-N 2.84Å; S387-T399 WeakPolarHBondContact OG-CB 3.18Å; S387-T399 PolarHBondContact OG-OG1 2.79Å |
| 388 | P | 96.9 | Very high | 95.6 | Very high | 82 Ų | 82 | 71.2 Ų | 71.2 | 53% | 0.532 | 34% | 0.343 | S | S | . | . | G | 310 helix | trans | -63.8 | -19.5 | 177.6 | -24.6 | 36.2 | 0 | 0 | 0 | 115.3 | L386 | L386-P388 VanDerWaalsContact C-N 3.28Å; L386-P388 VanDerWaalsContact O-N 3.14Å |
| 389 | F | 97.3 | Very high | 95.6 | Very high | 13 Ų | 13 | 70.2 Ų | 70.2 | 6% | 0.057 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -105.1 | 0.3 | -171.9 | -48.4 | -58.6 | 0 | 0 | 0 | 113.7 | L317 F321 R348 L349 L386 S387 | L317-F389 HydrophobicContact CB-CD2 4.48Å; L317-F389 HydrophobicContact CB-CE1 4.38Å; L317-F389 HydrophobicContact CB-CE2 3.76Å; L317-F389 HydrophobicContact CB-CZ 3.7Å; L317-F389 HydrophobicContact CD1-CE2 4.14Å; L317-F389 HydrophobicContact CG-CE2 4.49Å; F321-F389 HydrophobicContact CB-CD1 3.75Å; F321-F389 HydrophobicContact CB-CE1 4.45Å; F321-F389 HydrophobicContact CB-CG 4.43Å; F321-F389 HydrophobicContact CD1-CB 4.32Å; F321-F389 HydrophobicContact CD2-CB 3.57Å; F321-F389 AromaticContact CD2-CD1 3.38Å; F321-F389 HydrophobicContact CD2-CD1 3.38Å; F321-F389 HydrophobicContact CD2-CD2 4.02Å; F321-F389 HydrophobicContact CD2-CE1 4.07Å; F321-F389 AromaticContact CD2-CG 3.34Å; F321-F389 HydrophobicContact CD2-CG 3.34Å; F321-F389 HydrophobicContact CE1-CB 4.47Å; F321-F389 HydrophobicContact CE2-CB 3.75Å; F321-F389 HydrophobicContact CE2-CD1 4.25Å; F321-F389 HydrophobicContact CE2-CD2 4.1Å; F321-F389 AromaticContact CE2-CG 3.75Å; F321-F389 HydrophobicContact CE2-CG 3.75Å; F321-F389 HydrophobicContact CG-CB 3.89Å; F321-F389 AromaticContact CG-CD1 3.8Å; F321-F389 HydrophobicContact CG-CD1 3.8Å; F321-F389 AromaticContact CG-CG 4Å; F321-F389 HydrophobicContact CG-CG 4Å; F321-F389 HydrophobicContact CZ-CB 4.21Å; R348-F389 WeakPolarHBondContact CA-O 3.3Å; R348-F389 VanDerWaalsContact CD-O 3.27Å; R348-F389 WeakPolarHBondContact CD-O 3.47Å; L349-F389 HydrophobicContact CD1-CB 4.09Å; L349-F389 PolarHBondContact N-O 2.86Å; L386-F389 HydrophobicContact CD2-CD2 4.12Å; L386-F389 HydrophobicContact CD2-CE2 4.44Å; L386-F389 PolarHBondContact O-N 3.26Å; S387-F389 PolarHBondContact O-N 2.84Å |
| 390 | L | 97.6 | Very high | 95.6 | Very high | 43 Ų | 43 | 71.5 Ų | 71.5 | 23% | 0.225 | 35% | 0.348 | C | S | . | . | B | Isolated β-bridge | trans | -71.6 | 148.6 | -176.6 | -54.8 | -175.9 | 0 | 0 | 0 | 112.9 | L349 L352 C394 T399 | L349-L390 HydrophobicContact CB-CD2 3.98Å; L349-L390 HydrophobicContact CD1-CD2 4.4Å; L349-L390 CarbonylContact O-C 3.5Å; L352-L390 HydrophobicContact CD1-CD2 4.13Å; L352-L390 HydrophobicContact CD2-CD2 3.92Å; L352-L390 HydrophobicContact CG-CD2 4.23Å; L390-C394 HydrophobicContact CB-CB 4.23Å; L390-T399 HydrophobicContact CD1-CG2 3.72Å |
| 391 | H | 97 | Very high | 95.7 | Very high | 29 Ų | 29 | 69.2 Ų | 69.2 | 13% | 0.134 | 33% | 0.333 | C | S | . | . | trans | -80.1 | 149.4 | 163 | -163.8 | -111 | 0 | 0 | 0 | 109.4 | I166 R348 L349 V350 D393 C394 | I166-H391 HydrophobicContact CD1-CB 4.48Å; I166-H391 WeakPolarHBondContact CD1-ND1 3.38Å; R348-H391 HydrophobicContact CB-CB 3.84Å; L349-H391 WeakPolarHBondContact O-CB 3.48Å; L349-H391 PolarHBondContact O-N 3.21Å; V350-H391 HydrophobicContact CB-CB 4.34Å; H391-D393 IonicContact CE1-OD2 3.89Å; H391-D393 PolarHBondContact CE1-OD2 3.07Å; H391-D393 PolarHBondContact ND1-N 2.86Å; H391-D393 IonicContact ND1-OD2 3.95Å; H391-D393 PolarHBondContact ND1-OD2 3.17Å; H391-D393 PolarHBondContact O-N 2.87Å; H391-C394 WeakPolarHBondContact O-CB 3.39Å; H391-C394 PolarHBondContact O-N 2.94Å | ||
| 392 | R | 95.3 | Very high | 95.8 | Very high | 213 Ų | 213 | 66.7 Ų | 66.7 | 80% | 0.804 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -19 | 176.4 | 58.8 | 164.6 | -168.3 | -142.8 | -3.8 | 115.1 | ||
| 393 | D | 94.9 | Very high | 95.9 | Very high | 85 Ų | 85 | 61 Ų | 61 | 46% | 0.455 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | 2.1 | -179.1 | -52.5 | -31.9 | 0 | 0 | 0 | 112.1 | V350 H391 | V350-D393 HydrophobicContact CG2-CB 4.29Å; H391-D393 IonicContact CE1-OD2 3.89Å; H391-D393 PolarHBondContact CE1-OD2 3.07Å; H391-D393 PolarHBondContact ND1-N 2.86Å; H391-D393 IonicContact ND1-OD2 3.95Å; H391-D393 PolarHBondContact ND1-OD2 3.17Å; H391-D393 PolarHBondContact O-N 2.87Å |
| 394 | C | 95.8 | Very high | 96 | Very high | 26 Ų | 26 | 57.2 Ų | 57.2 | 18% | 0.176 | 28% | 0.275 | C | S | . | . | trans | -63.1 | 134.1 | 173.1 | -171.5 | 0 | 0 | 0 | 0 | 110.1 | L390 H391 D396 | L390-C394 HydrophobicContact CB-CB 4.23Å; H391-C394 WeakPolarHBondContact O-CB 3.39Å; H391-C394 PolarHBondContact O-N 2.94Å; C394-D396 PolarHBondContact SG-OD2 3.22Å; C394-D396 VanDerWaalsContact SG-OD2 3.38Å | ||
| 395 | R | 94.3 | Very high | 96.1 | Very high | 230 Ų | 230 | 56.8 Ų | 56.8 | 87% | 0.868 | 27% | 0.273 | S | S | * | . | trans | -114.2 | -8.2 | -176.3 | -63.1 | -172.4 | -177.5 | -175.5 | 0.6 | 114.5 | K397 | R395-K397 PolarHBondContact O-N 2.91Š| ||
| 396 | D | 93.2 | Very high | 96.1 | Very high | 41 Ų | 41 | 53.4 Ų | 53.4 | 22% | 0.219 | 26% | 0.255 | C | S | . | . | trans | -57.4 | 133.9 | 173.7 | -58.2 | -79.5 | 0 | 0 | 0 | 110.2 | A351 L352 C394 K460 | A351-D396 VanDerWaalsContact CA-OD2 3.3Å; A351-D396 WeakPolarHBondContact CA-OD2 3.4Å; L352-D396 HydrophobicContact CB-CB 4.27Å; L352-D396 HydrophobicContact CD1-CB 4.12Å; L352-D396 HydrophobicContact CG-CB 4.23Å; L352-D396 PolarHBondContact N-OD2 3.29Å; C394-D396 PolarHBondContact SG-OD2 3.22Å; C394-D396 VanDerWaalsContact SG-OD2 3.38Å; D396-K460 IonicContact OD1-NZ 2.67Å; D396-K460 PolarHBondContact OD1-NZ 3.28Å | ||
| 397 | K | 91.9 | Very high | 96.2 | Very high | 175 Ų | 175 | 53.4 Ų | 53.4 | 76% | 0.761 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -88.5 | -29.8 | 176.5 | -60 | 168.7 | -173.8 | 167.1 | 0 | 111.1 | R395 E496 | R395-K397 PolarHBondContact O-N 2.91Å; K397-E496 WeakPolarHBondContact CB-OE1 3.43Å; K397-E496 WeakPolarHBondContact CG-OE1 3.36Å; K397-E496 PolarHBondContact N-OE1 3.03Å; K397-E496 VanDerWaalsContact N-OE1 3.17Å; K397-E496 PolarHBondContact N-OE2 3.27Å |
| 398 | I | 94.2 | Very high | 96.3 | Very high | 21 Ų | 21 | 51 Ų | 51 | 11% | 0.108 | 24% | 0.238 | C | C | . | . | trans | -103.8 | 112.4 | -176.3 | -55.2 | -60.2 | 0 | 0 | 0 | 109.7 | K460 R461 D462 A495 E496 | I398-K460 HydrophobicContact CG2-CB 4.31Å; I398-R461 VanDerWaalsContact CG2-O 3.25Å; I398-R461 WeakPolarHBondContact CG2-O 3.39Å; I398-D462 HydrophobicContact CD1-CB 3.92Å; I398-D462 HydrophobicContact CG1-CB 4.05Å; I398-D462 HydrophobicContact CG2-CB 4.5Å; I398-A495 HydrophobicContact CB-CB 4.2Å; I398-A495 HydrophobicContact CG1-CB 4.26Å; I398-A495 HydrophobicContact CG2-CB 3.98Å; I398-E496 HydrophobicContact CB-CG 4.31Å; I398-E496 HydrophobicContact CG1-CG 3.86Å; I398-E496 PolarHBondContact N-OE2 3.03Å | ||
| 399 | T | 95.8 | Very high | 96.2 | Very high | 21 Ų | 21 | 47.4 Ų | 47.4 | 13% | 0.129 | 21% | 0.214 | C | C | . | . | trans | -113.1 | -4.6 | -173.4 | 58.7 | 0 | 0 | 0 | 0 | 113.4 | L352 D385 L386 S387 L390 | L352-T399 HydrophobicContact CD1-CG2 4.12Å; D385-T399 PolarHBondContact OD1-OG1 3.44Å; L386-T399 PolarHBondContact N-O 3.31Å; S387-T399 WeakPolarHBondContact OG-CB 3.18Å; S387-T399 PolarHBondContact OG-OG1 2.79Å; L390-T399 HydrophobicContact CD1-CG2 3.72Å | ||
| 400 | T | 96.4 | Very high | 96.1 | Very high | 42 Ų | 42 | 50.8 Ų | 50.8 | 26% | 0.258 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 142.7 | -176.2 | 49 | 0 | 0 | 0 | 0 | 112.5 | L384 D385 R461 | L384-T400 CarbonylContact O-C 3.53Å; L384-T400 VanDerWaalsContact O-CA 3.31Å; L384-T400 WeakPolarHBondContact O-CA 3.37Å; D385-T400 HydrophobicContact CB-CG2 4.41Å; T400-R461 PolarHBondContact O-N 3.35Å; T400-R461 PolarHBondContact OG1-O 2.97Å |
| 401 | Y | 97.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 148.9 | -176 | -68.7 | -106.1 | 0 | 0 | 0 | 113.5 | L352 P353 L356 N383 L384 L386 R459 K460 | L352-Y401 WeakPolarHBondContact CB-OH 3.46Å; L352-Y401 HydrophobicContact CD1-CE2 4.49Å; P353-Y401 WeakPolarHBondContact O-CE1 3.29Å; P353-Y401 PolarHBondContact O-OH 2.81Å; L356-Y401 HydrophobicContact CB-CD1 3.85Å; L356-Y401 HydrophobicContact CB-CE1 3.47Å; L356-Y401 VanDerWaalsContact CB-CE1 3.47Å; L356-Y401 HydrophobicContact CD2-CD1 4.44Å; L356-Y401 HydrophobicContact CD2-CE1 4.46Å; N383-Y401 CarbonylContact C-O 3.55Å; N383-Y401 WeakPolarHBondContact CA-O 3.35Å; N383-Y401 PolarHBondContact N-O 3.24Å; L384-Y401 PolarHBondContact N-O 2.86Å; L384-Y401 PolarHBondContact O-N 3.39Å; L386-Y401 HydrophobicContact CD1-CD2 4.14Å; L386-Y401 HydrophobicContact CD1-CE2 3.56Å; L386-Y401 HydrophobicContact CG-CD2 4.15Å; L386-Y401 HydrophobicContact CG-CE2 3.98Å; Y401-R459 CarbonylContact C-O 3.59Å; Y401-R459 VanDerWaalsContact CA-O 3.22Å; Y401-R459 WeakPolarHBondContact CA-O 3.29Å; Y401-K460 HydrophobicContact CD1-CB 4.46Å; Y401-K460 HydrophobicContact CD1-CG 4.09Å; Y401-K460 VanDerWaalsContact CD1-N 3.3Å; Y401-K460 HydrophobicContact CE1-CB 4.22Å; Y401-K460 HydrophobicContact CE1-CG 3.42Å; Y401-K460 VanDerWaalsContact CE1-CG 3.42Å; Y401-K460 HydrophobicContact CE2-CG 4.09Å; Y401-K460 VanDerWaalsContact CZ-CG 3.42Å |
| 402 | D | 96.3 | Very high | 95.1 | Very high | 22 Ų | 22 | 51.5 Ų | 51.5 | 12% | 0.118 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 144.1 | 169.5 | -72.4 | -8.8 | 0 | 0 | 0 | 110.8 | K382 N383 Y458 R459 R461 | K382-D402 WeakPolarHBondContact CA-OD1 3.43Å; K382-D402 VanDerWaalsContact CB-OD1 3.3Å; K382-D402 WeakPolarHBondContact CB-OD1 3.5Å; K382-D402 HydrophobicContact CG-CB 4.47Å; N383-D402 PolarHBondContact N-OD1 3.03Å; D402-Y458 VanDerWaalsContact C-CD1 3.45Å; D402-Y458 CarbonylContact O-C 3.5Å; D402-Y458 WeakPolarHBondContact O-CA 3.3Å; D402-R459 PolarHBondContact N-O 2.88Å; D402-R459 PolarHBondContact O-N 3.31Å; D402-R461 WeakPolarHBondContact OD1-CD 3.21Å; D402-R461 WeakPolarHBondContact OD2-CD 3.45Å; D402-R461 IonicContact OD2-CZ 2.97Å; D402-R461 IonicContact OD2-NE 2.68Å; D402-R461 IonicContact OD2-NH1 3.17Å; D402-R461 PolarHBondContact OD2-NH1 2.94Å |
| 403 | L | 97.6 | Very high | 94.1 | Very high | 6 Ų | 6 | 43.8 Ų | 43.8 | 3% | 0.031 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 128.6 | 178.8 | -170.5 | 75.8 | 0 | 0 | 0 | 109.5 | F379 L381 V406 W430 L456 Y458 | F379-L403 HydrophobicContact CD2-CD2 3.85Å; F379-L403 HydrophobicContact CE2-CD2 3.73Å; L381-L403 HydrophobicContact CD2-CD2 3.62Å; L381-L403 PolarHBondContact O-N 2.67Å; L403-V406 HydrophobicContact CD1-CG2 4.17Å; L403-V406 HydrophobicContact CD2-CG2 3.64Å; L403-V406 HydrophobicContact CG-CG2 4.18Å; L403-W430 HydrophobicContact CB-CH2 4.26Å; L403-W430 HydrophobicContact CB-CZ2 4.48Å; L403-W430 HydrophobicContact CD2-CH2 3.86Å; L403-W430 HydrophobicContact CD2-CZ2 4.32Å; L403-W430 HydrophobicContact CG-CH2 3.85Å; L403-W430 HydrophobicContact CG-CZ2 4.47Å; L403-W430 WeakPolarHBondContact O-CH2 3.18Å; L403-W430 WeakPolarHBondContact O-CZ2 3.37Å; L403-L456 HydrophobicContact CD1-CB 3.95Å; L403-L456 HydrophobicContact CD1-CD2 4.24Å; L403-Y458 HydrophobicContact CB-CD1 4.14Å; L403-Y458 HydrophobicContact CB-CE1 3.7Å; L403-Y458 HydrophobicContact CD1-CD1 4.32Å; L403-Y458 HydrophobicContact CD1-CD2 3.9Å; L403-Y458 HydrophobicContact CD1-CE1 3.96Å; L403-Y458 HydrophobicContact CD1-CE2 3.52Å; L403-Y458 HydrophobicContact CD1-CG 4.27Å; L403-Y458 HydrophobicContact CG-CE1 4.43Å |
| 404 | I | 96.9 | Very high | 93 | Very high | 20 Ų | 20 | 44.2 Ų | 44.2 | 10% | 0.103 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | -23.8 | 177.4 | 57.6 | 162.4 | 0 | 0 | 0 | 113.1 | I355 A422 Y423 F457 R459 | I355-I404 HydrophobicContact CD1-CD1 3.7Å; I404-A422 WeakPolarHBondContact O-CA 3.28Å; I404-Y423 PolarHBondContact O-N 2.68Å; I404-F457 HydrophobicContact CD1-CB 4.44Å; I404-F457 HydrophobicContact CG1-CB 3.97Å; I404-F457 VanDerWaalsContact CG1-O 3.29Å; I404-F457 WeakPolarHBondContact CG1-O 3.39Å; I404-F457 PolarHBondContact N-O 2.88Å; I404-R459 HydrophobicContact CD1-CB 4.29Å; I404-R459 HydrophobicContact CG1-CB 4.46Å; I404-R459 HydrophobicContact CG2-CB 3.73Å |
| 405 | G | 97.7 | Very high | 92.3 | Very high | 2 Ų | 2 | 44.6 Ų | 44.6 | 2% | 0.021 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 150.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | C421 F457 | G405-C421 CarbonylContact C-O 3.55Å; G405-C421 WeakPolarHBondContact CA-O 3.24Å; G405-F457 PolarHBondContact N-O 3.05Å; G405-F457 PolarHBondContact O-N 3.22Å |
| 406 | V | 98.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 113.5 | 177.1 | -178.2 | 0 | 0 | 0 | 0 | 108.8 | F379 L403 C408 T420 C421 A453 I455 L456 | F379-V406 HydrophobicContact CE2-CG2 4.26Å; F379-V406 HydrophobicContact CZ-CG2 4.45Å; L403-V406 HydrophobicContact CD1-CG2 4.17Å; L403-V406 HydrophobicContact CD2-CG2 3.64Å; L403-V406 HydrophobicContact CG-CG2 4.18Å; V406-C408 PolarHBondContact O-N 2.96Å; V406-T420 CarbonylContact O-C 3.49Å; V406-T420 WeakPolarHBondContact O-CA 3.4Å; V406-C421 HydrophobicContact CB-CB 4.38Å; V406-C421 PolarHBondContact N-O 3.24Å; V406-C421 PolarHBondContact O-N 3.3Å; V406-A453 HydrophobicContact CG1-CB 3.48Å; V406-A453 VanDerWaalsContact CG1-CB 3.48Å; V406-I455 CarbonylContact C-O 3.59Å; V406-I455 WeakPolarHBondContact CA-O 3.45Å; V406-L456 HydrophobicContact CB-CD2 4.45Å; V406-L456 HydrophobicContact CG1-CD2 3.98Å; V406-L456 HydrophobicContact CG2-CD2 3.9Å |
| 407 | I | 98.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 119.5 | 163.8 | -65.4 | 171.7 | 0 | 0 | 0 | 107.1 | A38 A39 A42 A112 Y418 T419 Y454 I455 F457 | A38-I407 HydrophobicContact CB-CG1 4.39Å; A38-I407 HydrophobicContact CB-CG2 4.06Å; A39-I407 HydrophobicContact CB-CD1 4.49Å; A42-I407 HydrophobicContact CB-CD1 3.96Å; A42-I407 HydrophobicContact CB-CG1 3.9Å; A112-I407 HydrophobicContact CB-CG2 4.26Å; I407-Y418 HydrophobicContact CG2-CD1 3.88Å; I407-T419 WeakPolarHBondContact CA-O 3.34Å; I407-Y454 WeakPolarHBondContact O-CA 3.47Å; I407-Y454 WeakPolarHBondContact O-CB 3.43Å; I407-Y454 PolarHBondContact O-N 3.41Å; I407-I455 HydrophobicContact CB-CB 4.11Å; I407-I455 HydrophobicContact CB-CG1 4.48Å; I407-I455 HydrophobicContact CD1-CB 4.34Å; I407-I455 HydrophobicContact CD1-CD1 4.13Å; I407-I455 PolarHBondContact N-O 3.17Å; I407-I455 PolarHBondContact O-N 2.79Å; I407-F457 HydrophobicContact CD1-CE2 3.76Å; I407-F457 HydrophobicContact CD1-CZ 4.24Å; I407-F457 HydrophobicContact CG1-CE2 4.08Å |
| 408 | C | 97.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 146.9 | 175.7 | -68.1 | 0 | 0 | 0 | 0 | 110.3 | V406 Y410 Y418 T419 S452 | V406-C408 PolarHBondContact O-N 2.96Å; C408-Y410 HydrophobicContact CB-CE2 3.9Å; C408-Y418 VanDerWaalsContact O-CA 3.3Å; C408-Y418 WeakPolarHBondContact O-CA 3.45Å; C408-T419 PolarHBondContact N-O 2.95Å; C408-T419 PolarHBondContact O-N 3.1Å; C408-T419 VanDerWaalsContact O-N 3.1Å; C408-S452 WeakPolarHBondContact CA-O 3.47Å |
| 409 | H | 96.5 | Very high | 92.7 | Very high | 6 Ų | 6 | 26.3 Ų | 26.3 | 3% | 0.028 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 128.3 | 170.5 | -175.5 | -127.1 | 0 | 0 | 0 | 110.9 | F363 K372 G412 H417 Y418 S452 Y454 | F363-H409 AromaticContact CE1-CE1 3.76Å; F363-H409 AromaticContact CE1-ND1 3.71Å; F363-H409 AromaticContact CZ-CE1 3.43Å; F363-H409 VanDerWaalsContact CZ-CE1 3.43Å; F363-H409 WeakPolarHBondContact CZ-CE1 3.42Å; F363-H409 AromaticContact CZ-ND1 3.22Å; F363-H409 WeakPolarHBondContact CZ-ND1 3.17Å; K372-H409 WeakPolarHBondContact CE-ND1 3.5Å; K372-H409 VanDerWaalsContact NZ-C 3.29Å; K372-H409 PolarHBondContact NZ-ND1 3.15Å; K372-H409 PolarHBondContact NZ-O 2.91Å; H409-G412 PolarHBondContact CE1-O 3.41Å; H409-H417 WeakPolarHBondContact CA-O 3.48Å; H409-H417 PolarHBondContact CD2-O 2.89Å; H409-H417 VanDerWaalsContact CD2-O 3.3Å; H409-Y418 HydrophobicContact CB-CD1 3.87Å; H409-Y418 HydrophobicContact CB-CE1 3.68Å; H409-Y418 AromaticContact CD2-CD1 3.8Å; H409-Y418 AromaticContact CD2-CD2 3.79Å; H409-Y418 AromaticContact CD2-CE1 3.61Å; H409-Y418 AromaticContact CD2-CE2 3.6Å; H409-Y418 AromaticContact CD2-CG 3.9Å; H409-Y418 AromaticContact CD2-CZ 3.52Å; H409-Y418 AromaticContact CG-CE1 3.73Å; H409-Y418 AromaticContact CG-CZ 3.91Å; H409-Y418 AromaticContact NE2-CE2 3.92Å; H409-S452 PolarHBondContact N-O 3.22Å; H409-Y454 HydrophobicContact CB-CG 4.47Å |
| 410 | Y | 93.6 | Very high | 92.9 | Very high | 84 Ų | 84 | 25.3 Ų | 25.3 | 33% | 0.329 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 161.5 | 174.4 | -55.2 | -80.5 | 0 | 0 | 0 | 110.3 | C408 G416 H417 T419 S452 | C408-Y410 HydrophobicContact CB-CE2 3.9Å; Y410-G416 CarbonylContact O-C 3.59Å; Y410-G416 WeakPolarHBondContact O-CA 3.25Å; Y410-H417 PolarHBondContact N-O 3.26Å; Y410-H417 PolarHBondContact O-N 2.99Å; Y410-T419 HydrophobicContact CD2-CG2 4.43Å; Y410-T419 HydrophobicContact CE2-CG2 4Å; Y410-S452 PolarHBondContact OH-OG 2.73Å |
| 411 | G | 90.5 | Very high | 93 | Very high | 55 Ų | 55 | 23.3 Ų | 23.3 | 57% | 0.567 | 17% | 0.174 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | 78 | -163.9 | -174 | 0 | 0 | 0 | 0 | 0 | 114.4 | K372 | K372-G411 WeakPolarHBondContact CD-O 3.34Å; K372-G411 PolarHBondContact NZ-O 3.14Å |
| 412 | G | 83 | Confident | 93 | Very high | 32 Ų | 32 | 23.3 Ų | 23.3 | 33% | 0.33 | 17% | 0.174 | S | C | . | . | trans | -110.5 | -151.7 | -170 | 0 | 0 | 0 | 0 | 0 | 114 | H409 G415 | H409-G412 PolarHBondContact CE1-O 3.41Å; G412-G415 PolarHBondContact N-O 3.47Å | ||
| 413 | C | 75.5 | Confident | 92.9 | Very high | 52 Ų | 52 | 25.4 Ų | 25.4 | 35% | 0.351 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -87.6 | -31.9 | 179.8 | -65.8 | 0 | 0 | 0 | 0 | 114.3 | S370 S371 G415 | S370-C413 VanDerWaalsContact CB-CB 3.49Å; S371-C413 PolarHBondContact N-SG 3.29Å; S371-C413 VanDerWaalsContact N-SG 3.39Å; S371-C413 PolarHBondContact O-SG 3.46Å; C413-G415 VanDerWaalsContact C-N 3.33Å |
| 414 | G | 72.5 | Confident | 92.7 | Very high | 93 Ų | 93 | 25.1 Ų | 25.1 | 96% | 0.959 | 18% | 0.18 | S | C | * | . | S | Bend | trans | -92.3 | 11 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 415 | G | 79.4 | Confident | 92.2 | Very high | 35 Ų | 35 | 27.3 Ų | 27.3 | 36% | 0.361 | 20% | 0.196 | S | C | . | . | S | Bend | trans | 163.3 | 131 | -173.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | G412 C413 | G412-G415 PolarHBondContact N-O 3.47Å; C413-G415 VanDerWaalsContact C-N 3.33Å |
| 416 | G | 91 | Very high | 91.5 | Very high | 16 Ų | 16 | 30.1 Ų | 30.1 | 17% | 0.165 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.5 | -164.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q109 Y410 | Q109-G416 PolarHBondContact NE2-O 2.91Å; Q109-G416 PolarHBondContact OE1-O 2.89Å; Y410-G416 CarbonylContact O-C 3.59Å; Y410-G416 WeakPolarHBondContact O-CA 3.25Å |
| 417 | H | 96.6 | Very high | 91.1 | Very high | 54 Ų | 54 | 31.8 Ų | 31.8 | 25% | 0.25 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 137.9 | -178.7 | -169.7 | 59.7 | 0 | 0 | 0 | 110.7 | C34 H409 Y410 N434 D435 | C34-H417 VanDerWaalsContact CB-CE1 3.47Å; C34-H417 WeakPolarHBondContact CB-CE1 3.17Å; C34-H417 PolarHBondContact SG-ND1 3.31Å; H409-H417 WeakPolarHBondContact CA-O 3.48Å; H409-H417 PolarHBondContact CD2-O 2.89Å; H409-H417 VanDerWaalsContact CD2-O 3.3Å; Y410-H417 PolarHBondContact N-O 3.26Å; Y410-H417 PolarHBondContact O-N 2.99Å; H417-N434 PolarHBondContact NE2-OD1 2.55Å; H417-D435 IonicContact CE1-OD2 2.74Å; H417-D435 PolarHBondContact CE1-OD2 3.43Å; H417-D435 VanDerWaalsContact CE1-OD2 3.29Å; H417-D435 IonicContact NE2-OD2 2.73Å |
| 418 | Y | 98 | Very high | 90.7 | Very high | 10 Ų | 10 | 38.8 Ų | 38.8 | 4% | 0.039 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 138.2 | 179.2 | -69.9 | -87.8 | 0 | 0 | 0 | 111.1 | Q110 A112 I407 C408 H409 Y454 | Q110-Y418 WeakPolarHBondContact O-CE2 3.49Å; A112-Y418 HydrophobicContact CB-CD1 3.77Å; A112-Y418 HydrophobicContact CB-CE1 3.55Å; A112-Y418 HydrophobicContact CB-CE2 4.49Å; A112-Y418 HydrophobicContact CB-CG 4.33Å; I407-Y418 HydrophobicContact CG2-CD1 3.88Å; C408-Y418 VanDerWaalsContact O-CA 3.3Å; C408-Y418 WeakPolarHBondContact O-CA 3.45Å; H409-Y418 HydrophobicContact CB-CD1 3.87Å; H409-Y418 HydrophobicContact CB-CE1 3.68Å; H409-Y418 AromaticContact CD2-CD1 3.8Å; H409-Y418 AromaticContact CD2-CD2 3.79Å; H409-Y418 AromaticContact CD2-CE1 3.61Å; H409-Y418 AromaticContact CD2-CE2 3.6Å; H409-Y418 AromaticContact CD2-CG 3.9Å; H409-Y418 AromaticContact CD2-CZ 3.52Å; H409-Y418 AromaticContact CG-CE1 3.73Å; H409-Y418 AromaticContact CG-CZ 3.91Å; H409-Y418 AromaticContact NE2-CE2 3.92Å; Y418-Y454 AromaticContact CE1-CD1 3.75Å; Y418-Y454 HydrophobicContact CE1-CD1 3.75Å; Y418-Y454 HydrophobicContact CE1-CE1 4.05Å |
| 419 | T | 98.3 | Very high | 90.5 | Very high | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.012 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 164.2 | 168.3 | 71.8 | 0 | 0 | 0 | 0 | 109.1 | I407 C408 Y410 E432 F433 N434 | I407-T419 WeakPolarHBondContact CA-O 3.34Å; C408-T419 PolarHBondContact N-O 2.95Å; C408-T419 PolarHBondContact O-N 3.1Å; C408-T419 VanDerWaalsContact O-N 3.1Å; Y410-T419 HydrophobicContact CD2-CG2 4.43Å; Y410-T419 HydrophobicContact CE2-CG2 4Å; T419-E432 WeakPolarHBondContact CB-OE1 3.29Å; T419-E432 PolarHBondContact OG1-OE1 2.91Å; T419-F433 WeakPolarHBondContact CB-O 3.13Å; T419-N434 HydrophobicContact CG2-CB 3.8Å |
| 420 | T | 98.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 130.2 | 171 | -72.2 | 0 | 0 | 0 | 0 | 110.7 | A38 Q41 A42 V406 A422 E432 F433 | A38-T420 WeakPolarHBondContact CA-OG1 3.37Å; A38-T420 WeakPolarHBondContact CB-OG1 3.22Å; A38-T420 PolarHBondContact O-OG1 2.84Å; Q41-T420 HydrophobicContact CB-CG2 4.13Å; A42-T420 HydrophobicContact CB-CG2 4.03Å; V406-T420 CarbonylContact O-C 3.49Å; V406-T420 WeakPolarHBondContact O-CA 3.4Å; T420-A422 HydrophobicContact CG2-CB 4.34Å; T420-E432 CarbonylContact O-C 3.56Å; T420-E432 WeakPolarHBondContact O-CA 3.12Å; T420-F433 PolarHBondContact N-O 3.18Å; T420-F433 PolarHBondContact O-N 3.21Å |
| 421 | C | 98.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 120.5 | 168.3 | -55.6 | 0 | 0 | 0 | 0 | 108 | G405 V406 Y431 L441 L449 | G405-C421 CarbonylContact C-O 3.55Å; G405-C421 WeakPolarHBondContact CA-O 3.24Å; V406-C421 HydrophobicContact CB-CB 4.38Å; V406-C421 PolarHBondContact N-O 3.24Å; V406-C421 PolarHBondContact O-N 3.3Å; C421-Y431 CarbonylContact C-O 3.53Å; C421-Y431 VanDerWaalsContact CA-O 3.23Å; C421-Y431 WeakPolarHBondContact CA-O 3.32Å; C421-L441 HydrophobicContact CB-CD1 3.84Å; C421-L449 HydrophobicContact CB-CD1 3.73Å; C421-L449 VanDerWaalsContact SG-CD2 3.54Å |
| 422 | A | 97.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 150.6 | -180 | 0 | 0 | 0 | 0 | 0 | 112.1 | N45 I404 T420 W430 Y431 F433 | N45-A422 HydrophobicContact CB-CB 3.79Å; I404-A422 WeakPolarHBondContact O-CA 3.28Å; T420-A422 HydrophobicContact CG2-CB 4.34Å; A422-W430 WeakPolarHBondContact O-CA 2.98Å; A422-Y431 PolarHBondContact N-O 2.9Å; A422-Y431 PolarHBondContact O-N 3.27Å; A422-F433 HydrophobicContact CB-CD2 4.5Å; A422-F433 HydrophobicContact CB-CE2 4.03Å |
| 423 | Y | 95.3 | Very high | 91.8 | Very high | 66 Ų | 66 | 37.9 Ų | 37.9 | 26% | 0.259 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 121.4 | 173.1 | -177.2 | -104.7 | 0 | 0 | 0 | 109.3 | I404 P425 E428 W430 | I404-Y423 PolarHBondContact O-N 2.68Å; Y423-P425 HydrophobicContact CD1-CG 4.34Å; Y423-P425 HydrophobicContact CE1-CB 4.46Å; Y423-P425 HydrophobicContact CE1-CG 4.5Å; Y423-P425 WeakPolarHBondContact O-CD 3.2Å; Y423-E428 VanDerWaalsContact CE2-C 3.46Å; Y423-E428 WeakPolarHBondContact CE2-O 3.44Å; Y423-E428 WeakPolarHBondContact OH-CA 3.45Å; Y423-W430 AromaticContact CD2-CD1 3.85Å; Y423-W430 HydrophobicContact CD2-CD2 4.41Å; Y423-W430 HydrophobicContact CD2-CG 4.31Å; Y423-W430 AromaticContact CD2-NE1 3.63Å |
| 424 | N | 92.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 107.8 | 176.9 | 179.1 | -95.2 | 0 | 0 | 0 | 109.3 | I22 L24 T427 E428 H429 Y431 | I22-N424 PolarHBondContact O-ND2 3.34Å; L24-N424 HydrophobicContact CD2-CB 4.1Å; N424-T427 PolarHBondContact O-N 3.12Å; N424-T427 PolarHBondContact O-OG1 3.33Å; N424-T427 WeakPolarHBondContact OD1-CB 3.4Å; N424-T427 WeakPolarHBondContact OD1-CG2 3.14Å; N424-T427 PolarHBondContact OD1-N 2.92Å; N424-T427 PolarHBondContact OD1-OG1 2.79Å; N424-E428 PolarHBondContact O-N 2.89Å; N424-H429 PolarHBondContact N-O 3.13Å; N424-Y431 HydrophobicContact CB-CD2 3.93Å; N424-Y431 HydrophobicContact CB-CE2 4.08Å |
| 425 | P | 86.9 | Confident | 94 | Very high | 67 Ų | 67 | 34.2 Ų | 34.2 | 44% | 0.435 | 18% | 0.184 | S | C | . | . | G | 310 helix | trans | -60.4 | -42.4 | -174.4 | -21.4 | 32.3 | 0 | 0 | 0 | 114.8 | Y423 T427 E428 | Y423-P425 HydrophobicContact CD1-CG 4.34Å; Y423-P425 HydrophobicContact CE1-CB 4.46Å; Y423-P425 HydrophobicContact CE1-CG 4.5Å; Y423-P425 WeakPolarHBondContact O-CD 3.2Å; P425-T427 PolarHBondContact O-N 2.78Å; P425-E428 PolarHBondContact O-N 2.69Å; P425-E428 VanDerWaalsContact O-N 3.12Å |
| 426 | P | 84.1 | Confident | 94.7 | Very high | 60 Ų | 60 | 36 Ų | 36 | 39% | 0.39 | 18% | 0.183 | S | C | . | . | G | 310 helix | trans | -60.8 | -27.5 | -179.2 | -27.8 | 37.4 | 0 | 0 | 0 | 115.1 | I22 | I22-P426 HydrophobicContact CG2-CB 4.14Å; I22-P426 HydrophobicContact CG2-CG 3.63Å |
| 427 | T | 89 | Confident | 94.9 | Very high | 36 Ų | 36 | 41.3 Ų | 41.3 | 22% | 0.221 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -100.8 | -9.9 | 177 | 57.4 | 0 | 0 | 0 | 0 | 113.2 | S21 N424 P425 H429 Y431 | S21-T427 WeakPolarHBondContact OG-CG2 3.13Å; N424-T427 PolarHBondContact O-N 3.12Å; N424-T427 PolarHBondContact O-OG1 3.33Å; N424-T427 WeakPolarHBondContact OD1-CB 3.4Å; N424-T427 WeakPolarHBondContact OD1-CG2 3.14Å; N424-T427 PolarHBondContact OD1-N 2.92Å; N424-T427 PolarHBondContact OD1-OG1 2.79Å; P425-T427 PolarHBondContact O-N 2.78Å; T427-H429 PolarHBondContact O-CE1 2.79Å; T427-H429 PolarHBondContact O-N 3.03Å; T427-H429 PolarHBondContact O-ND1 2.75Å; T427-Y431 WeakPolarHBondContact OG1-CE2 3.13Å |
| 428 | E | 90.7 | Very high | 94.8 | Very high | 146 Ų | 146 | 40.8 Ų | 40.8 | 68% | 0.682 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.2 | 23.6 | -171 | -55.5 | -163.9 | 138.9 | 0 | 0 | 116.1 | Y423 N424 P425 | Y423-E428 VanDerWaalsContact CE2-C 3.46Å; Y423-E428 WeakPolarHBondContact CE2-O 3.44Å; Y423-E428 WeakPolarHBondContact OH-CA 3.45Å; N424-E428 PolarHBondContact O-N 2.89Å; P425-E428 PolarHBondContact O-N 2.69Å; P425-E428 VanDerWaalsContact O-N 3.12Å |
| 429 | H | 94.3 | Very high | 94.7 | Very high | 78 Ų | 78 | 45.1 Ų | 45.1 | 36% | 0.361 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 159.1 | -177.1 | -68.4 | 95.7 | 0 | 0 | 0 | 113.8 | N424 T427 Y431 K440 | N424-H429 PolarHBondContact N-O 3.13Å; T427-H429 PolarHBondContact O-CE1 2.79Å; T427-H429 PolarHBondContact O-N 3.03Å; T427-H429 PolarHBondContact O-ND1 2.75Å; H429-Y431 HydrophobicContact CB-CD2 4.49Å; H429-Y431 HydrophobicContact CB-CE2 3.77Å; H429-Y431 WeakPolarHBondContact O-CD2 3.18Å; H429-K440 HydrophobicContact CB-CD 4.47Å; H429-K440 HydrophobicContact CB-CG 4.48Å; H429-K440 WeakPolarHBondContact CD2-CE 3.47Å; H429-K440 PolarHBondContact CD2-NZ 3.21Å; H429-K440 PolarHBondContact CE1-NZ 3.18Å; H429-K440 VanDerWaalsContact CG-NZ 3.32Å; H429-K440 PolarHBondContact ND1-NZ 2.79Å; H429-K440 PolarHBondContact NE2-NZ 3.09Å |
| 430 | W | 96.7 | Very high | 94.6 | Very high | 35 Ų | 35 | 49.9 Ų | 49.9 | 13% | 0.133 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 139.2 | 171.1 | -74 | 87.7 | 0 | 0 | 0 | 111.1 | L381 L403 A422 Y423 L441 M446 | L381-W430 HydrophobicContact CD2-CZ2 4.4Å; L403-W430 HydrophobicContact CB-CH2 4.26Å; L403-W430 HydrophobicContact CB-CZ2 4.48Å; L403-W430 HydrophobicContact CD2-CH2 3.86Å; L403-W430 HydrophobicContact CD2-CZ2 4.32Å; L403-W430 HydrophobicContact CG-CH2 3.85Å; L403-W430 HydrophobicContact CG-CZ2 4.47Å; L403-W430 WeakPolarHBondContact O-CH2 3.18Å; L403-W430 WeakPolarHBondContact O-CZ2 3.37Å; A422-W430 WeakPolarHBondContact O-CA 2.98Å; Y423-W430 AromaticContact CD2-CD1 3.85Å; Y423-W430 HydrophobicContact CD2-CD2 4.41Å; Y423-W430 HydrophobicContact CD2-CG 4.31Å; Y423-W430 AromaticContact CD2-NE1 3.63Å; W430-L441 HydrophobicContact CB-CB 4.16Å; W430-L441 HydrophobicContact CB-CD1 4.32Å; W430-L441 PolarHBondContact O-N 3.14Å; W430-M446 HydrophobicContact CB-CE 4.43Å; W430-M446 HydrophobicContact CB-CG 4.41Å; W430-M446 HydrophobicContact CB-SD 3.63Å; W430-M446 HydrophobicContact CD2-CE 3.44Å; W430-M446 VanDerWaalsContact CD2-CE 3.44Å; W430-M446 HydrophobicContact CD2-SD 3.78Å; W430-M446 HydrophobicContact CE3-CE 3.86Å; W430-M446 HydrophobicContact CE3-SD 4.1Å; W430-M446 HydrophobicContact CG-CE 3.7Å; W430-M446 HydrophobicContact CG-CG 4.44Å; W430-M446 HydrophobicContact CG-SD 3.56Å; W430-M446 VanDerWaalsContact CG-SD 3.56Å; W430-M446 HydrophobicContact CZ2-CE 4.19Å; W430-M446 HydrophobicContact CZ3-CE 4.4Å |
| 431 | Y | 97.1 | Very high | 94.5 | Very high | 30 Ų | 30 | 50.5 Ų | 50.5 | 12% | 0.118 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 139.7 | 177.1 | -69.4 | -101.2 | 0 | 0 | 0 | 110.4 | L24 C421 A422 N424 T427 H429 V438 R439 K440 | L24-Y431 HydrophobicContact CD1-CD1 3.92Å; L24-Y431 HydrophobicContact CD1-CE1 3.45Å; L24-Y431 VanDerWaalsContact CD1-CE1 3.45Å; L24-Y431 HydrophobicContact CD1-CE2 4.23Å; L24-Y431 HydrophobicContact CD1-CG 4.48Å; L24-Y431 HydrophobicContact CD2-CD1 3.97Å; L24-Y431 HydrophobicContact CD2-CD2 3.87Å; L24-Y431 HydrophobicContact CD2-CE1 4.24Å; L24-Y431 HydrophobicContact CD2-CE2 4.18Å; L24-Y431 HydrophobicContact CD2-CG 3.78Å; C421-Y431 CarbonylContact C-O 3.53Å; C421-Y431 VanDerWaalsContact CA-O 3.23Å; C421-Y431 WeakPolarHBondContact CA-O 3.32Å; A422-Y431 PolarHBondContact N-O 2.9Å; A422-Y431 PolarHBondContact O-N 3.27Å; N424-Y431 HydrophobicContact CB-CD2 3.93Å; N424-Y431 HydrophobicContact CB-CE2 4.08Å; T427-Y431 WeakPolarHBondContact OG1-CE2 3.13Å; H429-Y431 HydrophobicContact CB-CD2 4.49Å; H429-Y431 HydrophobicContact CB-CE2 3.77Å; H429-Y431 WeakPolarHBondContact O-CD2 3.18Å; Y431-V438 HydrophobicContact CD1-CG1 4.09Å; Y431-R439 CarbonylContact C-O 3.47Å; Y431-R439 WeakPolarHBondContact CA-O 3.47Å; Y431-K440 HydrophobicContact CD1-CB 4.15Å; Y431-K440 HydrophobicContact CE1-CB 3.84Å; Y431-K440 HydrophobicContact CE1-CG 4.46Å |
| 432 | E | 97.9 | Very high | 94.3 | Very high | 11 Ų | 11 | 54.2 Ų | 54.2 | 5% | 0.051 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 127.5 | 164.2 | 175 | 173.7 | -122.7 | 0 | 0 | 109.7 | T419 T420 N434 V438 R439 L441 | T419-E432 WeakPolarHBondContact CB-OE1 3.29Å; T419-E432 PolarHBondContact OG1-OE1 2.91Å; T420-E432 CarbonylContact O-C 3.56Å; T420-E432 WeakPolarHBondContact O-CA 3.12Å; E432-N434 HydrophobicContact CG-CB 4.25Å; E432-V438 WeakPolarHBondContact O-CA 3.38Å; E432-R439 HydrophobicContact CB-CG 4.13Å; E432-R439 PolarHBondContact N-O 3.01Å; E432-R439 PolarHBondContact O-N 3.18Å; E432-R439 IonicContact OE2-CZ 3.15Å; E432-R439 IonicContact OE2-NE 2.77Å; E432-R439 PolarHBondContact OE2-NE 2.92Å; E432-R439 IonicContact OE2-NH2 2.72Å; E432-R439 PolarHBondContact OE2-NH2 2.98Å; E432-L441 HydrophobicContact CB-CD1 4.22Å; E432-L441 HydrophobicContact CB-CD2 3.82Å; E432-L441 HydrophobicContact CB-CG 4.17Å |
| 433 | F | 97.5 | Very high | 94 | Very high | 4 Ų | 4 | 58.4 Ų | 58.4 | 2% | 0.018 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 102 | 170.1 | -59.4 | -101.6 | 0 | 0 | 0 | 107.2 | G23 L24 Q41 T419 T420 A422 V438 | G23-F433 WeakPolarHBondContact O-CE1 3.44Å; G23-F433 WeakPolarHBondContact O-CZ 3.38Å; L24-F433 HydrophobicContact CD2-CZ 3.98Å; Q41-F433 HydrophobicContact CB-CB 4.28Å; Q41-F433 HydrophobicContact CB-CG 4.41Å; Q41-F433 VanDerWaalsContact CD-CD1 3.41Å; Q41-F433 HydrophobicContact CG-CB 3.91Å; Q41-F433 HydrophobicContact CG-CD1 4.21Å; Q41-F433 HydrophobicContact CG-CG 4.19Å; T419-F433 WeakPolarHBondContact CB-O 3.13Å; T420-F433 PolarHBondContact N-O 3.18Å; T420-F433 PolarHBondContact O-N 3.21Å; A422-F433 HydrophobicContact CB-CD2 4.5Å; A422-F433 HydrophobicContact CB-CE2 4.03Å; F433-V438 HydrophobicContact CD1-CB 4.36Å; F433-V438 HydrophobicContact CD1-CG1 3.95Å; F433-V438 HydrophobicContact CD1-CG2 3.49Å; F433-V438 VanDerWaalsContact CD1-CG2 3.49Å; F433-V438 HydrophobicContact CE1-CG1 3.82Å; F433-V438 HydrophobicContact CE1-CG2 3.91Å; F433-V438 HydrophobicContact CG-CG1 4.43Å; F433-V438 HydrophobicContact CG-CG2 4.29Å; F433-V438 HydrophobicContact CZ-CG1 4.17Å |
| 434 | N | 97.4 | Very high | 93.9 | Very high | 51 Ų | 51 | 63 Ų | 63 | 27% | 0.273 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 86.1 | 178.3 | -179.4 | 9.1 | 0 | 0 | 0 | 108.3 | H417 T419 E432 E436 H437 | H417-N434 PolarHBondContact NE2-OD1 2.55Å; T419-N434 HydrophobicContact CG2-CB 3.8Å; E432-N434 HydrophobicContact CG-CB 4.25Å; N434-E436 PolarHBondContact O-N 2.86Å; N434-H437 PolarHBondContact N-O 2.95Å; N434-H437 PolarHBondContact O-N 2.99Å |
| 435 | D | 97 | Very high | 94 | Very high | 18 Ų | 18 | 65.8 Ų | 65.8 | 10% | 0.096 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 48.2 | -117.9 | -168.2 | -67 | -40.2 | 0 | 0 | 0 | 111.5 | G26 L27 N29 N37 H417 H437 | G26-D435 CarbonylContact C-O 3.58Å; G26-D435 VanDerWaalsContact CA-O 3.31Å; G26-D435 WeakPolarHBondContact CA-O 3.2Å; L27-D435 PolarHBondContact N-O 3.5Å; L27-D435 CarbonylContact O-C 3.57Å; L27-D435 WeakPolarHBondContact O-CA 3.27Å; L27-D435 VanDerWaalsContact O-CB 3.3Å; L27-D435 WeakPolarHBondContact O-CB 3.36Å; N29-D435 HydrophobicContact CB-CB 4.18Å; N29-D435 WeakPolarHBondContact CB-OD2 3.3Å; N29-D435 PolarHBondContact ND2-OD2 2.87Å; N37-D435 WeakPolarHBondContact CB-OD1 3.41Å; N37-D435 PolarHBondContact ND2-OD1 3.45Å; H417-D435 IonicContact CE1-OD2 2.74Å; H417-D435 PolarHBondContact CE1-OD2 3.43Å; H417-D435 VanDerWaalsContact CE1-OD2 3.29Å; H417-D435 IonicContact NE2-OD2 2.73Å; D435-H437 PolarHBondContact O-N 2.81Å |
| 436 | E | 94.7 | Very high | 94.3 | Very high | 72 Ų | 72 | 63.6 Ų | 63.6 | 34% | 0.336 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -7.8 | -177.5 | 66.9 | -177.2 | 156 | 0 | 0 | 113.9 | L27 R28 C87 N434 | L27-E436 PolarHBondContact O-N 2.98Å; R28-E436 IonicContact CZ-OE2 2.67Å; R28-E436 IonicContact NH1-OE1 3.61Å; R28-E436 IonicContact NH1-OE2 3.28Å; R28-E436 PolarHBondContact NH1-OE2 3.03Å; R28-E436 IonicContact NH2-OE2 3.9Å; R28-E436 PolarHBondContact NH2-OE2 3.25Å; C87-E436 HydrophobicContact CB-CB 4.24Å; C87-E436 VanDerWaalsContact SG-CB 3.5Å; N434-E436 PolarHBondContact O-N 2.86Å |
| 437 | H | 95.1 | Very high | 94.6 | Very high | 127 Ų | 127 | 65.8 Ų | 65.8 | 59% | 0.588 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102 | 116.1 | -178.5 | -59.9 | -63.2 | 0 | 0 | 0 | 111.5 | N434 D435 | N434-H437 PolarHBondContact N-O 2.95Å; N434-H437 PolarHBondContact O-N 2.99Å; D435-H437 PolarHBondContact O-N 2.81Å |
| 438 | V | 95.4 | Very high | 94.7 | Very high | 43 Ų | 43 | 67.2 Ų | 67.2 | 26% | 0.261 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 127.7 | 172.2 | -174.3 | 0 | 0 | 0 | 0 | 109.3 | L24 Y431 E432 F433 | L24-V438 HydrophobicContact CB-CG1 4.31Å; L24-V438 HydrophobicContact CD2-CG1 4.38Å; L24-V438 WeakPolarHBondContact O-CG2 3.3Å; Y431-V438 HydrophobicContact CD1-CG1 4.09Å; E432-V438 WeakPolarHBondContact O-CA 3.38Å; F433-V438 HydrophobicContact CD1-CB 4.36Å; F433-V438 HydrophobicContact CD1-CG1 3.95Å; F433-V438 HydrophobicContact CD1-CG2 3.49Å; F433-V438 VanDerWaalsContact CD1-CG2 3.49Å; F433-V438 HydrophobicContact CE1-CG1 3.82Å; F433-V438 HydrophobicContact CE1-CG2 3.91Å; F433-V438 HydrophobicContact CG-CG1 4.43Å; F433-V438 HydrophobicContact CG-CG2 4.29Å; F433-V438 HydrophobicContact CZ-CG1 4.17Å |
| 439 | R | 94.8 | Very high | 94.9 | Very high | 101 Ų | 101 | 60.4 Ų | 60.4 | 38% | 0.381 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 144.3 | -179.3 | 69.4 | -176.1 | -168.3 | 82.4 | 5.6 | 111.9 | Y431 E432 | Y431-R439 CarbonylContact C-O 3.47Å; Y431-R439 WeakPolarHBondContact CA-O 3.47Å; E432-R439 HydrophobicContact CB-CG 4.13Å; E432-R439 PolarHBondContact N-O 3.01Å; E432-R439 PolarHBondContact O-N 3.18Å; E432-R439 IonicContact OE2-CZ 3.15Å; E432-R439 IonicContact OE2-NE 2.77Å; E432-R439 PolarHBondContact OE2-NE 2.92Å; E432-R439 IonicContact OE2-NH2 2.72Å; E432-R439 PolarHBondContact OE2-NH2 2.98Å |
| 440 | K | 96.1 | Very high | 94.8 | Very high | 103 Ų | 103 | 58.3 Ų | 58.3 | 45% | 0.448 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 143.1 | 172.7 | -175.9 | 171.7 | 176.2 | 165.1 | 0 | 110.6 | H429 Y431 | H429-K440 HydrophobicContact CB-CD 4.47Å; H429-K440 HydrophobicContact CB-CG 4.48Å; H429-K440 WeakPolarHBondContact CD2-CE 3.47Å; H429-K440 PolarHBondContact CD2-NZ 3.21Å; H429-K440 PolarHBondContact CE1-NZ 3.18Å; H429-K440 VanDerWaalsContact CG-NZ 3.32Å; H429-K440 PolarHBondContact ND1-NZ 2.79Å; H429-K440 PolarHBondContact NE2-NZ 3.09Å; Y431-K440 HydrophobicContact CD1-CB 4.15Å; Y431-K440 HydrophobicContact CE1-CB 3.84Å; Y431-K440 HydrophobicContact CE1-CG 4.46Å |
| 441 | L | 95.8 | Very high | 94.6 | Very high | 13 Ų | 13 | 59.3 Ų | 59.3 | 7% | 0.068 | 31% | 0.306 | C | S | . | . | trans | -101.2 | 143.6 | 176.1 | -63.8 | 179 | 0 | 0 | 0 | 111.8 | C421 W430 E432 Q445 M446 L449 | C421-L441 HydrophobicContact CB-CD1 3.84Å; W430-L441 HydrophobicContact CB-CB 4.16Å; W430-L441 HydrophobicContact CB-CD1 4.32Å; W430-L441 PolarHBondContact O-N 3.14Å; E432-L441 HydrophobicContact CB-CD1 4.22Å; E432-L441 HydrophobicContact CB-CD2 3.82Å; E432-L441 HydrophobicContact CB-CG 4.17Å; L441-Q445 HydrophobicContact CD2-CB 4.08Å; L441-Q445 VanDerWaalsContact CD2-OE1 3.31Å; L441-M446 HydrophobicContact CB-CG 4.22Å; L441-M446 HydrophobicContact CB-SD 4.27Å; L441-M446 HydrophobicContact CD1-SD 3.69Å; L441-L449 HydrophobicContact CD1-CD1 4.46Å | ||
| 442 | D | 95.1 | Very high | 94.5 | Very high | 77 Ų | 77 | 58.3 Ų | 58.3 | 41% | 0.412 | 30% | 0.303 | S | S | . | . | trans | -95.7 | 178.2 | 167.3 | 66.6 | 52.6 | 0 | 0 | 0 | 112 | E444 Q445 M446 | D442-E444 WeakPolarHBondContact OD1-CA 3.4Å; D442-E444 WeakPolarHBondContact OD1-CB 3.29Å; D442-E444 PolarHBondContact OD1-N 3.26Å; D442-Q445 WeakPolarHBondContact OD1-CG 3.35Å; D442-Q445 PolarHBondContact OD1-N 3.22Å; D442-Q445 PolarHBondContact OD2-NE2 2.96Å; D442-M446 WeakPolarHBondContact O-CB 3.48Å; D442-M446 VanDerWaalsContact O-CG 3.32Å; D442-M446 WeakPolarHBondContact O-CG 3.42Å; D442-M446 PolarHBondContact O-N 3.49Å | ||
| 443 | A | 91.7 | Very high | 94.4 | Very high | 88 Ų | 88 | 57.8 Ų | 57.8 | 73% | 0.727 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -68.3 | -31.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | E447 | A443-E447 PolarHBondContact O-N 3.14Å; A443-E447 VanDerWaalsContact O-N 3.09Å |
| 444 | E | 92.7 | Very high | 94.4 | Very high | 164 Ų | 164 | 57.7 Ų | 57.7 | 77% | 0.766 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -73.4 | -41.3 | 178.2 | -176.8 | 177.2 | 175.9 | 0 | 0 | 110.2 | D442 E447 S448 | D442-E444 WeakPolarHBondContact OD1-CA 3.4Å; D442-E444 WeakPolarHBondContact OD1-CB 3.29Å; D442-E444 PolarHBondContact OD1-N 3.26Å; E444-E447 WeakPolarHBondContact O-CB 3.46Å; E444-E447 PolarHBondContact O-N 2.82Å; E444-S448 PolarHBondContact O-N 2.87Å |
| 445 | Q | 93.9 | Very high | 94.4 | Very high | 58 Ų | 58 | 55.3 Ų | 55.3 | 27% | 0.271 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.8 | -40.3 | 174.6 | -64.4 | 170.8 | 9.7 | 0 | 0 | 111.5 | L441 D442 E447 S448 L449 | L441-Q445 HydrophobicContact CD2-CB 4.08Å; L441-Q445 VanDerWaalsContact CD2-OE1 3.31Å; D442-Q445 WeakPolarHBondContact OD1-CG 3.35Å; D442-Q445 PolarHBondContact OD1-N 3.22Å; D442-Q445 PolarHBondContact OD2-NE2 2.96Å; Q445-E447 VanDerWaalsContact C-N 3.34Å; Q445-E447 PolarHBondContact O-N 3.39Å; Q445-S448 WeakPolarHBondContact O-CB 3.32Å; Q445-S448 PolarHBondContact O-N 2.79Å; Q445-S448 PolarHBondContact O-OG 3.47Å; Q445-L449 WeakPolarHBondContact O-CG 3.14Å; Q445-L449 PolarHBondContact O-N 3.2Å |
| 446 | M | 93.8 | Very high | 94.5 | Very high | 21 Ų | 21 | 54.4 Ų | 54.4 | 10% | 0.103 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61 | -39.1 | 172.3 | -77.5 | -61.8 | -62.6 | 0 | 0 | 112.8 | L381 W430 L441 D442 S448 L449 | L381-M446 HydrophobicContact CD1-CE 4.31Å; L381-M446 HydrophobicContact CD2-CE 3.76Å; W430-M446 HydrophobicContact CB-CE 4.43Å; W430-M446 HydrophobicContact CB-CG 4.41Å; W430-M446 HydrophobicContact CB-SD 3.63Å; W430-M446 HydrophobicContact CD2-CE 3.44Å; W430-M446 VanDerWaalsContact CD2-CE 3.44Å; W430-M446 HydrophobicContact CD2-SD 3.78Å; W430-M446 HydrophobicContact CE3-CE 3.86Å; W430-M446 HydrophobicContact CE3-SD 4.1Å; W430-M446 HydrophobicContact CG-CE 3.7Å; W430-M446 HydrophobicContact CG-CG 4.44Å; W430-M446 HydrophobicContact CG-SD 3.56Å; W430-M446 VanDerWaalsContact CG-SD 3.56Å; W430-M446 HydrophobicContact CZ2-CE 4.19Å; W430-M446 HydrophobicContact CZ3-CE 4.4Å; L441-M446 HydrophobicContact CB-CG 4.22Å; L441-M446 HydrophobicContact CB-SD 4.27Å; L441-M446 HydrophobicContact CD1-SD 3.69Å; D442-M446 WeakPolarHBondContact O-CB 3.48Å; D442-M446 VanDerWaalsContact O-CG 3.32Å; D442-M446 WeakPolarHBondContact O-CG 3.42Å; D442-M446 PolarHBondContact O-N 3.49Å; M446-S448 VanDerWaalsContact C-N 3.34Å; M446-L449 HydrophobicContact CE-CD1 4.05Å; M446-L449 WeakPolarHBondContact O-CB 3.38Å; M446-L449 WeakPolarHBondContact O-CG 3.33Å; M446-L449 PolarHBondContact O-N 3.46Å; M446-L449 HydrophobicContact SD-CD1 3.68Å |
| 447 | E | 90.9 | Very high | 94.7 | Very high | 106 Ų | 106 | 51 Ų | 51 | 50% | 0.495 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -66.1 | -36.5 | 174.9 | -175.1 | 63.7 | -165 | 0 | 0 | 111.7 | A443 E444 Q445 L449 K450 | A443-E447 PolarHBondContact O-N 3.14Å; A443-E447 VanDerWaalsContact O-N 3.09Å; E444-E447 WeakPolarHBondContact O-CB 3.46Å; E444-E447 PolarHBondContact O-N 2.82Å; Q445-E447 VanDerWaalsContact C-N 3.34Å; Q445-E447 PolarHBondContact O-N 3.39Å; E447-L449 PolarHBondContact O-N 2.77Å; E447-K450 WeakPolarHBondContact O-CB 3.37Å; E447-K450 WeakPolarHBondContact O-CD 3.34Å; E447-K450 WeakPolarHBondContact O-CG 3.31Å; E447-K450 PolarHBondContact O-N 2.96Å; E447-K450 WeakPolarHBondContact OE1-CD 3.28Å; E447-K450 WeakPolarHBondContact OE1-CE 3.49Å; E447-K450 IonicContact OE1-NZ 3.53Å; E447-K450 PolarHBondContact OE1-NZ 3.31Å; E447-K450 WeakPolarHBondContact OE2-CE 3.27Å; E447-K450 IonicContact OE2-NZ 2.73Å; E447-K450 PolarHBondContact OE2-NZ 3.1Å |
| 448 | S | 91.1 | Very high | 94.9 | Very high | 66 Ų | 66 | 45 Ų | 45 | 46% | 0.462 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.5 | -28.5 | 178.5 | 84.3 | 0 | 0 | 0 | 0 | 113.7 | E444 Q445 M446 K450 S451 | E444-S448 PolarHBondContact O-N 2.87Å; Q445-S448 WeakPolarHBondContact O-CB 3.32Å; Q445-S448 PolarHBondContact O-N 2.79Å; Q445-S448 PolarHBondContact O-OG 3.47Å; M446-S448 VanDerWaalsContact C-N 3.34Å; S448-K450 PolarHBondContact O-N 3.48Å; S448-S451 PolarHBondContact O-N 2.82Å |
| 449 | L | 94.1 | Very high | 94.9 | Very high | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.016 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -57.4 | -25.1 | -178.9 | -55.1 | -173.7 | 0 | 0 | 0 | 112.6 | F379 C421 L441 Q445 M446 E447 S451 S452 A453 | F379-L449 HydrophobicContact CZ-CB 4.28Å; C421-L449 HydrophobicContact CB-CD1 3.73Å; C421-L449 VanDerWaalsContact SG-CD2 3.54Å; L441-L449 HydrophobicContact CD1-CD1 4.46Å; Q445-L449 WeakPolarHBondContact O-CG 3.14Å; Q445-L449 PolarHBondContact O-N 3.2Å; M446-L449 HydrophobicContact CE-CD1 4.05Å; M446-L449 WeakPolarHBondContact O-CB 3.38Å; M446-L449 WeakPolarHBondContact O-CG 3.33Å; M446-L449 PolarHBondContact O-N 3.46Å; M446-L449 HydrophobicContact SD-CD1 3.68Å; E447-L449 PolarHBondContact O-N 2.77Å; L449-S451 PolarHBondContact O-N 3.02Å; L449-S452 PolarHBondContact O-N 3.09Å; L449-S452 VanDerWaalsContact O-N 3.08Å; L449-S452 PolarHBondContact O-OG 3.45Å; L449-A453 WeakPolarHBondContact O-CB 3.34Å; L449-A453 PolarHBondContact O-N 3.13Å |
| 450 | K | 93.1 | Very high | 94.9 | Very high | 34 Ų | 34 | 41.4 Ų | 41.4 | 15% | 0.148 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -54.3 | -29.5 | 179.1 | -67.6 | 171.5 | 171.9 | -175.2 | 0 | 113.5 | R362 P376 V377 N378 F379 E447 S448 | R362-K450 PolarHBondContact NH2-O 2.91Å; P376-K450 CarbonylContact C-O 3.57Å; P376-K450 VanDerWaalsContact CA-O 3.32Å; P376-K450 WeakPolarHBondContact CA-O 3.22Å; P376-K450 HydrophobicContact CB-CB 4.09Å; V377-K450 PolarHBondContact N-O 3.13Å; V377-K450 WeakPolarHBondContact O-CB 3.19Å; V377-K450 WeakPolarHBondContact O-CG 3.43Å; N378-K450 VanDerWaalsContact OD1-CD 3.24Å; N378-K450 WeakPolarHBondContact OD1-CD 3.45Å; N378-K450 VanDerWaalsContact OD1-CE 3.23Å; N378-K450 WeakPolarHBondContact OD1-CE 3.48Å; N378-K450 PolarHBondContact OD1-NZ 3.36Å; F379-K450 HydrophobicContact CE1-CG 4.22Å; F379-K450 HydrophobicContact CZ-CG 4.41Å; E447-K450 WeakPolarHBondContact O-CB 3.37Å; E447-K450 WeakPolarHBondContact O-CD 3.34Å; E447-K450 WeakPolarHBondContact O-CG 3.31Å; E447-K450 PolarHBondContact O-N 2.96Å; E447-K450 WeakPolarHBondContact OE1-CD 3.28Å; E447-K450 WeakPolarHBondContact OE1-CE 3.49Å; E447-K450 IonicContact OE1-NZ 3.53Å; E447-K450 PolarHBondContact OE1-NZ 3.31Å; E447-K450 WeakPolarHBondContact OE2-CE 3.27Å; E447-K450 IonicContact OE2-NZ 2.73Å; E447-K450 PolarHBondContact OE2-NZ 3.1Å; S448-K450 PolarHBondContact O-N 3.48Å |
| 451 | S | 91.2 | Very high | 94.4 | Very high | 55 Ų | 55 | 40.6 Ų | 40.6 | 39% | 0.385 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -87.2 | -29.7 | 179.6 | -53.1 | 0 | 0 | 0 | 0 | 113.8 | S448 L449 | S448-S451 PolarHBondContact O-N 2.82Å; L449-S451 PolarHBondContact O-N 3.02Å |
| 452 | S | 94.2 | Very high | 93.6 | Very high | 9 Ų | 9 | 41.3 Ų | 41.3 | 6% | 0.063 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -101.6 | -23.5 | -175.9 | 55 | 0 | 0 | 0 | 0 | 114.1 | C408 H409 Y410 L449 Y454 | C408-S452 WeakPolarHBondContact CA-O 3.47Å; H409-S452 PolarHBondContact N-O 3.22Å; Y410-S452 PolarHBondContact OH-OG 2.73Å; L449-S452 PolarHBondContact O-N 3.09Å; L449-S452 VanDerWaalsContact O-N 3.08Å; L449-S452 PolarHBondContact O-OG 3.45Å; S452-Y454 PolarHBondContact O-N 2.95Å |
| 453 | A | 97 | Very high | 92.7 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.1 | 126 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | R362 F379 V406 L449 L456 | R362-A453 VanDerWaalsContact CZ-O 3.28Å; R362-A453 PolarHBondContact NE-O 2.89Å; R362-A453 PolarHBondContact NH2-O 3.2Å; F379-A453 HydrophobicContact CD1-CB 4.49Å; F379-A453 HydrophobicContact CE1-CB 3.47Å; F379-A453 VanDerWaalsContact CE1-CB 3.47Å; F379-A453 HydrophobicContact CZ-CB 3.82Å; V406-A453 HydrophobicContact CG1-CB 3.48Å; V406-A453 VanDerWaalsContact CG1-CB 3.48Å; L449-A453 WeakPolarHBondContact O-CB 3.34Å; L449-A453 PolarHBondContact O-N 3.13Å; A453-L456 HydrophobicContact CB-CD2 4.06Å |
| 454 | Y | 97.2 | Very high | 92.3 | Very high | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.008 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | -42.3 | -173.4 | -179.8 | -125.1 | 0 | 0 | 0 | 112.2 | D111 Q113 H359 L360 R362 F363 I407 H409 Y418 S452 | D111-Y454 WeakPolarHBondContact OD1-CE1 3.31Å; D111-Y454 PolarHBondContact OD1-OH 3.13Å; D111-Y454 PolarHBondContact OD2-OH 3.44Å; Q113-Y454 HydrophobicContact CB-CE1 4.22Å; H359-Y454 AromaticContact CD2-CE2 3.51Å; H359-Y454 AromaticContact CD2-CZ 3.71Å; H359-Y454 AromaticContact NE2-CE2 3.29Å; H359-Y454 VanDerWaalsContact NE2-CE2 3.29Å; H359-Y454 WeakPolarHBondContact NE2-CE2 3.36Å; H359-Y454 AromaticContact NE2-CZ 3.49Å; H359-Y454 PolarHBondContact NE2-OH 3.31Å; L360-Y454 PolarHBondContact N-O 3.47Å; L360-Y454 WeakPolarHBondContact O-CD2 3.32Å; L360-Y454 WeakPolarHBondContact O-CE2 3.45Å; R362-Y454 HydrophobicContact CB-CD2 4.44Å; F363-Y454 AromaticContact CD2-CE2 3.76Å; F363-Y454 HydrophobicContact CD2-CE2 3.76Å; F363-Y454 AromaticContact CD2-CZ 3.84Å; F363-Y454 WeakPolarHBondContact CD2-OH 3.35Å; F363-Y454 HydrophobicContact CE2-CD2 4.4Å; F363-Y454 HydrophobicContact CE2-CE1 4.24Å; F363-Y454 AromaticContact CE2-CE2 3.67Å; F363-Y454 HydrophobicContact CE2-CE2 3.67Å; F363-Y454 AromaticContact CE2-CZ 3.57Å; I407-Y454 WeakPolarHBondContact O-CA 3.47Å; I407-Y454 WeakPolarHBondContact O-CB 3.43Å; I407-Y454 PolarHBondContact O-N 3.41Å; H409-Y454 HydrophobicContact CB-CG 4.47Å; Y418-Y454 AromaticContact CE1-CD1 3.75Å; Y418-Y454 HydrophobicContact CE1-CD1 3.75Å; Y418-Y454 HydrophobicContact CE1-CE1 4.05Å; S452-Y454 PolarHBondContact O-N 2.95Å |
| 455 | I | 98.3 | Very high | 91.9 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 129.4 | 173 | -47.3 | 178.6 | 0 | 0 | 0 | 108.5 | Q113 L116 T357 L358 V406 I407 F457 | Q113-I455 HydrophobicContact CB-CD1 3.75Å; Q113-I455 HydrophobicContact CG-CD1 4.16Å; L116-I455 HydrophobicContact CD2-CD1 4.11Å; L116-I455 HydrophobicContact CD2-CG2 4.37Å; T357-I455 HydrophobicContact CG2-CG2 3.53Å; L358-I455 CarbonylContact O-C 3.58Å; L358-I455 WeakPolarHBondContact O-CA 3.34Å; V406-I455 CarbonylContact C-O 3.59Å; V406-I455 WeakPolarHBondContact CA-O 3.45Å; I407-I455 HydrophobicContact CB-CB 4.11Å; I407-I455 HydrophobicContact CB-CG1 4.48Å; I407-I455 HydrophobicContact CD1-CB 4.34Å; I407-I455 HydrophobicContact CD1-CD1 4.13Å; I407-I455 PolarHBondContact N-O 3.17Å; I407-I455 PolarHBondContact O-N 2.79Å; I455-F457 HydrophobicContact CB-CE2 4.35Å; I455-F457 HydrophobicContact CG2-CD2 4.37Å; I455-F457 HydrophobicContact CG2-CE2 3.83Å; I455-F457 HydrophobicContact CG2-CZ 4.36Å |
| 456 | L | 98.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 132.3 | 178.4 | -52.2 | 174.1 | 0 | 0 | 0 | 109.4 | L313 L358 L360 F379 L403 V406 A453 Y458 | L313-L456 HydrophobicContact CD1-CD1 3.99Å; L313-L456 HydrophobicContact CD2-CD1 3.99Å; L358-L456 HydrophobicContact CB-CB 4.29Å; L358-L456 PolarHBondContact N-O 2.91Å; L358-L456 PolarHBondContact O-N 3.32Å; L360-L456 HydrophobicContact CD1-CD1 4.42Å; F379-L456 HydrophobicContact CB-CD1 3.8Å; F379-L456 HydrophobicContact CD1-CD1 3.98Å; F379-L456 HydrophobicContact CD1-CD2 3.96Å; F379-L456 HydrophobicContact CD2-CD2 4.14Å; F379-L456 HydrophobicContact CE1-CD2 3.95Å; F379-L456 HydrophobicContact CE2-CD2 4.13Å; F379-L456 HydrophobicContact CG-CD1 3.85Å; F379-L456 HydrophobicContact CG-CD2 4.06Å; F379-L456 HydrophobicContact CZ-CD2 4.04Å; L403-L456 HydrophobicContact CD1-CB 3.95Å; L403-L456 HydrophobicContact CD1-CD2 4.24Å; V406-L456 HydrophobicContact CB-CD2 4.45Å; V406-L456 HydrophobicContact CG1-CD2 3.98Å; V406-L456 HydrophobicContact CG2-CD2 3.9Å; A453-L456 HydrophobicContact CB-CD2 4.06Å; L456-Y458 HydrophobicContact CB-CD2 4.04Å; L456-Y458 HydrophobicContact CB-CE2 3.8Å; L456-Y458 HydrophobicContact CD1-CE2 3.99Å; L456-Y458 HydrophobicContact CG-CE2 4.49Å |
| 457 | F | 98.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 118.4 | 174.3 | -70.2 | -102.2 | 0 | 0 | 0 | 109.2 | A42 L43 L116 F161 I355 T357 I404 G405 I407 I455 | A42-F457 HydrophobicContact CB-CD2 3.98Å; A42-F457 HydrophobicContact CB-CE1 4.46Å; A42-F457 HydrophobicContact CB-CE2 3.52Å; A42-F457 HydrophobicContact CB-CZ 3.78Å; L43-F457 HydrophobicContact CD2-CE1 4.3Å; L116-F457 HydrophobicContact CD1-CZ 4.1Å; L116-F457 HydrophobicContact CD2-CE1 4.33Å; L116-F457 HydrophobicContact CD2-CE2 4.44Å; L116-F457 HydrophobicContact CD2-CZ 3.61Å; F161-F457 HydrophobicContact CE1-CD1 4.48Å; F161-F457 HydrophobicContact CE1-CE1 4.34Å; I355-F457 HydrophobicContact CG2-CD1 4.1Å; T357-F457 HydrophobicContact CG2-CE1 4.16Å; T357-F457 HydrophobicContact CG2-CZ 4.23Å; I404-F457 HydrophobicContact CD1-CB 4.44Å; I404-F457 HydrophobicContact CG1-CB 3.97Å; I404-F457 VanDerWaalsContact CG1-O 3.29Å; I404-F457 WeakPolarHBondContact CG1-O 3.39Å; I404-F457 PolarHBondContact N-O 2.88Å; G405-F457 PolarHBondContact N-O 3.05Å; G405-F457 PolarHBondContact O-N 3.22Å; I407-F457 HydrophobicContact CD1-CE2 3.76Å; I407-F457 HydrophobicContact CD1-CZ 4.24Å; I407-F457 HydrophobicContact CG1-CE2 4.08Å; I455-F457 HydrophobicContact CB-CE2 4.35Å; I455-F457 HydrophobicContact CG2-CD2 4.37Å; I455-F457 HydrophobicContact CG2-CE2 3.83Å; I455-F457 HydrophobicContact CG2-CZ 4.36Å |
| 458 | Y | 98.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 128.9 | -177 | -87.7 | -79.5 | 0 | 0 | 0 | 110.1 | L313 I355 L356 L358 P380 L384 D402 L403 L456 | L313-Y458 HydrophobicContact CD2-CE2 3.78Å; I355-Y458 CarbonylContact C-O 3.59Å; I355-Y458 WeakPolarHBondContact CA-O 3.29Å; L356-Y458 PolarHBondContact N-O 3.38Å; L356-Y458 PolarHBondContact O-N 2.99Å; L358-Y458 HydrophobicContact CD1-CD2 3.98Å; L358-Y458 HydrophobicContact CD1-CE2 4.11Å; P380-Y458 WeakPolarHBondContact CD-OH 3.42Å; P380-Y458 WeakPolarHBondContact O-CE1 3.2Å; P380-Y458 PolarHBondContact O-OH 3.01Å; L384-Y458 HydrophobicContact CB-CD1 4.18Å; L384-Y458 HydrophobicContact CB-CE1 3.86Å; L384-Y458 HydrophobicContact CD2-CD1 3.93Å; L384-Y458 HydrophobicContact CD2-CD2 3.93Å; L384-Y458 HydrophobicContact CD2-CE1 3.86Å; L384-Y458 HydrophobicContact CD2-CE2 3.82Å; L384-Y458 HydrophobicContact CD2-CG 3.98Å; D402-Y458 VanDerWaalsContact C-CD1 3.45Å; D402-Y458 CarbonylContact O-C 3.5Å; D402-Y458 WeakPolarHBondContact O-CA 3.3Å; L403-Y458 HydrophobicContact CB-CD1 4.14Å; L403-Y458 HydrophobicContact CB-CE1 3.7Å; L403-Y458 HydrophobicContact CD1-CD1 4.32Å; L403-Y458 HydrophobicContact CD1-CD2 3.9Å; L403-Y458 HydrophobicContact CD1-CE1 3.96Å; L403-Y458 HydrophobicContact CD1-CE2 3.52Å; L403-Y458 HydrophobicContact CD1-CG 4.27Å; L403-Y458 HydrophobicContact CG-CE1 4.43Å; L456-Y458 HydrophobicContact CB-CD2 4.04Å; L456-Y458 HydrophobicContact CB-CE2 3.8Å; L456-Y458 HydrophobicContact CD1-CE2 3.99Å; L456-Y458 HydrophobicContact CG-CE2 4.49Å |
| 459 | R | 96.3 | Very high | 89.9 | Confident | 65 Ų | 65 | 35.9 Ų | 35.9 | 25% | 0.245 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 134.8 | 173.9 | 162.9 | 165 | -172.8 | -142.5 | 0.7 | 110.3 | I355 Y401 D402 I404 R461 T493 | I355-R459 HydrophobicContact CD1-CB 3.77Å; I355-R459 HydrophobicContact CD1-CG 4.36Å; Y401-R459 CarbonylContact C-O 3.59Å; Y401-R459 VanDerWaalsContact CA-O 3.22Å; Y401-R459 WeakPolarHBondContact CA-O 3.29Å; D402-R459 PolarHBondContact N-O 2.88Å; D402-R459 PolarHBondContact O-N 3.31Å; I404-R459 HydrophobicContact CD1-CB 4.29Å; I404-R459 HydrophobicContact CG1-CB 4.46Å; I404-R459 HydrophobicContact CG2-CB 3.73Å; R459-R461 PolarHBondContact O-N 3.22Å; R459-T493 PolarHBondContact NE-O 3.03Å; R459-T493 PolarHBondContact NH2-O 3.42Å |
| 460 | K | 95.6 | Very high | 89.2 | Confident | 5 Ų | 5 | 41.9 Ų | 41.9 | 2% | 0.022 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.2 | 130.4 | 168.3 | -77.9 | -170.3 | -169.9 | 165.4 | 0 | 109.6 | L352 P353 E354 D396 I398 Y401 A495 | L352-K460 WeakPolarHBondContact O-CE 3.42Å; L352-K460 PolarHBondContact O-NZ 3.14Å; P353-K460 VanDerWaalsContact O-CE 3.29Å; P353-K460 WeakPolarHBondContact O-CE 3.22Å; E354-K460 PolarHBondContact O-N 3.18Å; E354-K460 VanDerWaalsContact OE1-CD 3.29Å; E354-K460 WeakPolarHBondContact OE1-CD 3.43Å; E354-K460 WeakPolarHBondContact OE1-CE 3.48Å; E354-K460 IonicContact OE1-NZ 3.7Å; E354-K460 PolarHBondContact OE1-NZ 3.43Å; D396-K460 IonicContact OD1-NZ 2.67Å; D396-K460 PolarHBondContact OD1-NZ 3.28Å; I398-K460 HydrophobicContact CG2-CB 4.31Å; Y401-K460 HydrophobicContact CD1-CB 4.46Å; Y401-K460 HydrophobicContact CD1-CG 4.09Å; Y401-K460 VanDerWaalsContact CD1-N 3.3Å; Y401-K460 HydrophobicContact CE1-CB 4.22Å; Y401-K460 HydrophobicContact CE1-CG 3.42Å; Y401-K460 VanDerWaalsContact CE1-CG 3.42Å; Y401-K460 HydrophobicContact CE2-CG 4.09Å; Y401-K460 VanDerWaalsContact CZ-CG 3.42Å; K460-A495 HydrophobicContact CB-CB 3.5Å; K460-A495 VanDerWaalsContact CB-CB 3.5Å; K460-A495 HydrophobicContact CD-CB 4.07Å; K460-A495 HydrophobicContact CG-CB 4.46Å |
| 461 | R | 84.8 | Confident | 88.2 | Confident | 86 Ų | 86 | 43.3 Ų | 43.3 | 33% | 0.325 | 22% | 0.224 | S | C | . | . | trans | -106.1 | 111.2 | 179.6 | -178.1 | -161.6 | 175.5 | 83.6 | 9.2 | 109.2 | I398 T400 D402 R459 | I398-R461 VanDerWaalsContact CG2-O 3.25Å; I398-R461 WeakPolarHBondContact CG2-O 3.39Å; T400-R461 PolarHBondContact O-N 3.35Å; T400-R461 PolarHBondContact OG1-O 2.97Å; D402-R461 WeakPolarHBondContact OD1-CD 3.21Å; D402-R461 WeakPolarHBondContact OD2-CD 3.45Å; D402-R461 IonicContact OD2-CZ 2.97Å; D402-R461 IonicContact OD2-NE 2.68Å; D402-R461 IonicContact OD2-NH1 3.17Å; D402-R461 PolarHBondContact OD2-NH1 2.94Å; R459-R461 PolarHBondContact O-N 3.22Å | ||
| 462 | D | 79.8 | Confident | 87.3 | Confident | 27 Ų | 27 | 42.3 Ų | 42.3 | 14% | 0.144 | 21% | 0.214 | C | C | . | . | trans | -104.7 | 124.6 | 161.2 | -169.2 | 6.5 | 0 | 0 | 0 | 111 | I398 H464 L465 A495 | I398-D462 HydrophobicContact CD1-CB 3.92Å; I398-D462 HydrophobicContact CG1-CB 4.05Å; I398-D462 HydrophobicContact CG2-CB 4.5Å; D462-H464 WeakPolarHBondContact OD1-CB 3.38Å; D462-H464 IonicContact OD1-CD2 3.67Å; D462-H464 PolarHBondContact OD1-CD2 3.41Å; D462-H464 IonicContact OD1-CG 2.72Å; D462-H464 PolarHBondContact OD1-N 2.76Å; D462-L465 WeakPolarHBondContact OD2-CG 3.37Å; D462-A495 HydrophobicContact CB-CB 4.06Å | ||
| 463 | T | 76.5 | Confident | 86 | Confident | 77 Ų | 77 | 45.8 Ų | 45.8 | 47% | 0.472 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -86.5 | -13.1 | 173.1 | 47.7 | 0 | 0 | 0 | 0 | 113.7 | ||
| 464 | H | 82.9 | Confident | 84.3 | Confident | 138 Ų | 138 | 52 Ų | 52 | 64% | 0.639 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -82.4 | -29.4 | -176.1 | -64.2 | -71 | 0 | 0 | 0 | 113.7 | D462 | D462-H464 WeakPolarHBondContact OD1-CB 3.38Å; D462-H464 IonicContact OD1-CD2 3.67Å; D462-H464 PolarHBondContact OD1-CD2 3.41Å; D462-H464 IonicContact OD1-CG 2.72Å; D462-H464 PolarHBondContact OD1-N 2.76Å |
| 465 | L | 84.8 | Confident | 82.5 | Confident | 7 Ų | 7 | 56 Ų | 56 | 4% | 0.037 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -79.8 | -21.9 | 178.5 | -64.3 | -173.6 | 0 | 0 | 0 | 114.4 | D462 I468 R469 A495 P497 M537 F538 | D462-L465 WeakPolarHBondContact OD2-CG 3.37Å; L465-I468 HydrophobicContact CD2-CD1 4.17Å; L465-I468 WeakPolarHBondContact O-CB 3.34Å; L465-I468 PolarHBondContact O-N 2.91Å; L465-R469 PolarHBondContact O-N 2.85Å; L465-A495 WeakPolarHBondContact CD1-O 3.46Å; L465-P497 HydrophobicContact CD1-CG 4.46Å; L465-M537 HydrophobicContact CD2-CE 4.26Å; L465-F538 HydrophobicContact CD1-CZ 4.3Å; L465-F538 HydrophobicContact CD2-CE1 4.35Å; L465-F538 HydrophobicContact CD2-CZ 3.65Å |
| 466 | E | 80 | Confident | 80.9 | Confident | 107 Ų | 107 | 60.2 Ų | 60.2 | 50% | 0.5 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.8 | -42.3 | -172.2 | -150.9 | 59.4 | -158.6 | 0 | 0 | 114.4 | I468 R469 H470 | E466-I468 PolarHBondContact O-N 3.23Å; E466-R469 PolarHBondContact O-N 3.41Å; E466-R469 WeakPolarHBondContact OE2-CD 3.31Å; E466-R469 IonicContact OE2-CZ 3.92Å; E466-R469 IonicContact OE2-NH1 2.68Å; E466-R469 PolarHBondContact OE2-NH1 3.35Å; E466-H470 PolarHBondContact O-N 2.91Å |
| 467 | P | 80.5 | Confident | 79.4 | Confident | 90 Ų | 90 | 64.3 Ų | 64.3 | 58% | 0.584 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -62.4 | -29.4 | 172.8 | -22.1 | 34.5 | 0 | 0 | 0 | 113.2 | S471 | P467-S471 PolarHBondContact O-N 2.86Å |
| 468 | I | 81.4 | Confident | 78.4 | Confident | 39 Ų | 39 | 67.6 Ų | 67.6 | 20% | 0.2 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -77.8 | -44.1 | -177.7 | -57 | 165.8 | 0 | 0 | 0 | 109.6 | L465 E466 H470 S471 L472 F491 L534 M537 | L465-I468 HydrophobicContact CD2-CD1 4.17Å; L465-I468 WeakPolarHBondContact O-CB 3.34Å; L465-I468 PolarHBondContact O-N 2.91Å; E466-I468 PolarHBondContact O-N 3.23Å; I468-H470 VanDerWaalsContact C-N 3.29Å; I468-H470 PolarHBondContact O-N 2.69Å; I468-S471 PolarHBondContact O-N 3Å; I468-S471 VanDerWaalsContact O-N 3.1Å; I468-S471 PolarHBondContact O-OG 3.37Å; I468-L472 PolarHBondContact O-N 3.15Å; I468-L472 VanDerWaalsContact O-N 3.08Å; I468-F491 HydrophobicContact CG2-CZ 4.12Å; I468-L534 HydrophobicContact CG2-CD2 4.36Å; I468-M537 HydrophobicContact CD1-CE 3.39Å; I468-M537 HydrophobicContact CD1-SD 3.55Å; I468-M537 VanDerWaalsContact CD1-SD 3.55Å |
| 469 | R | 85.8 | Confident | 77.8 | Confident | 9 Ų | 9 | 72.9 Ų | 72.9 | 3% | 0.034 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -53 | -46.3 | 168.6 | -77.1 | 174.5 | -175.2 | 145.5 | 2.1 | 111.7 | L465 E466 S471 L472 F491 W492 W494 | L465-R469 PolarHBondContact O-N 2.85Å; E466-R469 PolarHBondContact O-N 3.41Å; E466-R469 WeakPolarHBondContact OE2-CD 3.31Å; E466-R469 IonicContact OE2-CZ 3.92Å; E466-R469 IonicContact OE2-NH1 2.68Å; E466-R469 PolarHBondContact OE2-NH1 3.35Å; R469-S471 PolarHBondContact O-N 3.07Å; R469-L472 VanDerWaalsContact O-CB 3.27Å; R469-L472 WeakPolarHBondContact O-CB 3.26Å; R469-L472 PolarHBondContact O-N 3.03Å; R469-F491 HydrophobicContact CG-CD1 4.47Å; R469-F491 HydrophobicContact CG-CE1 3.55Å; R469-F491 HydrophobicContact CG-CZ 3.77Å; R469-F491 PolarHBondContact NE-O 3.37Å; R469-F491 PolarHBondContact NH2-O 3.5Å; R469-W492 HydrophobicContact CB-CE3 4.12Å; R469-W492 HydrophobicContact CB-CH2 4Å; R469-W492 HydrophobicContact CB-CZ3 3.54Å; R469-W492 HydrophobicContact CG-CE3 3.85Å; R469-W492 HydrophobicContact CG-CH2 4.42Å; R469-W492 HydrophobicContact CG-CZ3 3.8Å; R469-W492 VanDerWaalsContact O-CH2 3.28Å; R469-W492 WeakPolarHBondContact O-CH2 3.39Å; R469-W494 PolarHBondContact NH2-O 3.08Å |
| 470 | H | 78 | Confident | 77.4 | Confident | 129 Ų | 129 | 73.2 Ų | 73.2 | 60% | 0.597 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -65.8 | -35.6 | 176.4 | -165.7 | -42.5 | 0 | 0 | 0 | 112.8 | E466 I468 L472 Q473 | E466-H470 PolarHBondContact O-N 2.91Å; I468-H470 VanDerWaalsContact C-N 3.29Å; I468-H470 PolarHBondContact O-N 2.69Å; H470-L472 PolarHBondContact O-N 2.89Å; H470-Q473 PolarHBondContact O-N 3.48Å |
| 471 | S | 72.8 | Confident | 77 | Confident | 63 Ų | 63 | 73 Ų | 73 | 44% | 0.441 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -67.3 | -24.1 | 175.2 | 76.4 | 0 | 0 | 0 | 0 | 113.6 | P467 I468 R469 M474 | P467-S471 PolarHBondContact O-N 2.86Å; I468-S471 PolarHBondContact O-N 3Å; I468-S471 VanDerWaalsContact O-N 3.1Å; I468-S471 PolarHBondContact O-OG 3.37Å; R469-S471 PolarHBondContact O-N 3.07Å; S471-M474 WeakPolarHBondContact O-CB 3.36Å; S471-M474 WeakPolarHBondContact O-CG 3.5Å; S471-M474 PolarHBondContact O-N 3.46Å |
| 472 | L | 71.9 | Confident | 77.2 | Confident | 35 Ų | 35 | 72 Ų | 72 | 18% | 0.183 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -76.4 | -18.6 | 178.8 | -106.1 | 150.3 | 0 | 0 | 0 | 113.8 | I468 R469 H470 M474 F491 W492 I530 L534 | I468-L472 PolarHBondContact O-N 3.15Å; I468-L472 VanDerWaalsContact O-N 3.08Å; R469-L472 VanDerWaalsContact O-CB 3.27Å; R469-L472 WeakPolarHBondContact O-CB 3.26Å; R469-L472 PolarHBondContact O-N 3.03Å; H470-L472 PolarHBondContact O-N 2.89Å; L472-M474 PolarHBondContact O-N 3.32Å; L472-F491 HydrophobicContact CD1-CD1 4.25Å; L472-F491 HydrophobicContact CD1-CE1 3.33Å; L472-F491 HydrophobicContact CD1-CZ 3.53Å; L472-W492 HydrophobicContact CB-CH2 4.45Å; L472-W492 HydrophobicContact CB-CZ2 4.23Å; L472-I530 HydrophobicContact CD2-CD1 4.33Å; L472-I530 HydrophobicContact CD2-CG2 3.37Å; L472-I530 HydrophobicContact CG-CG2 3.83Å; L472-L534 HydrophobicContact CD1-CD1 4.31Å; L472-L534 HydrophobicContact CD1-CD2 4.2Å |
| 473 | Q | 66.6 | Low | 77.5 | Confident | 81 Ų | 81 | 70.9 Ų | 70.9 | 38% | 0.379 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -7.3 | 173.7 | -72 | 161.1 | -36.1 | 0 | 0 | 112.9 | N4 H470 W492 | N4-Q473 PolarHBondContact OD1-NE2 3.39Å; H470-Q473 PolarHBondContact O-N 3.48Å; Q473-W492 HydrophobicContact CG-CH2 4.21Å |
| 474 | M | 61 | Low | 78.1 | Confident | 132 Ų | 132 | 67.3 Ų | 67.3 | 65% | 0.65 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -72.5 | 139.9 | -179.8 | -61 | -107.2 | 77.5 | 0 | 0 | 110.9 | S471 L472 | S471-M474 WeakPolarHBondContact O-CB 3.36Å; S471-M474 WeakPolarHBondContact O-CG 3.5Å; S471-M474 PolarHBondContact O-N 3.46Å; L472-M474 PolarHBondContact O-N 3.32Å |
| 475 | A | 59.4 | Low | 78.3 | Confident | 84 Ų | 84 | 62.3 Ų | 62.3 | 69% | 0.694 | 36% | 0.356 | S | S | * | . | P | Polyproline II helix | trans | -51.8 | 139.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | S477 | A475-S477 PolarHBondContact O-N 2.99Š|
| 476 | P | 64.9 | Low | 78.4 | Confident | 90 Ų | 90 | 62.4 Ų | 62.4 | 58% | 0.584 | 36% | 0.357 | S | S | * | . | P | Polyproline II helix | trans | -55.9 | 126.2 | 179.4 | -26.1 | 34.5 | 0 | 0 | 0 | 112.6 | M480 P527 | P476-M480 HydrophobicContact CB-CE 4.4Å; P476-M480 HydrophobicContact CB-SD 4.21Å; P476-P527 HydrophobicContact CB-CG 3.99Å |
| 477 | S | 67.3 | Low | 78.9 | Confident | 87 Ų | 87 | 57.4 Ų | 57.4 | 61% | 0.608 | 33% | 0.333 | S | S | * | . | trans | -138.6 | 127 | 167.3 | 55.6 | 0 | 0 | 0 | 0 | 110.3 | A475 | A475-S477 PolarHBondContact O-N 2.99Š| ||
| 478 | G | 77.1 | Confident | 79.3 | Confident | 68 Ų | 68 | 53.8 Ų | 53.8 | 70% | 0.701 | 31% | 0.31 | S | S | * | . | S | Bend | trans | 107.9 | -167.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 479 | K | 85.8 | Confident | 79.7 | Confident | 111 Ų | 111 | 52.2 Ų | 52.2 | 48% | 0.483 | 30% | 0.302 | S | S | . | . | trans | -72.4 | 139.2 | 179.9 | -176.7 | 176.4 | 172.6 | -157 | 0 | 110 | E528 H545 | K479-E528 WeakPolarHBondContact CB-OE2 3.23Å; K479-E528 WeakPolarHBondContact CD-OE2 3.44Å; K479-E528 WeakPolarHBondContact O-CB 3.47Å; K479-E528 PolarHBondContact O-N 2.92Å; K479-H545 WeakPolarHBondContact CE-ND1 3.39Å; K479-H545 PolarHBondContact NZ-CD2 2.85Å; K479-H545 PolarHBondContact NZ-CE1 3.04Å; K479-H545 PolarHBondContact NZ-ND1 3.04Å; K479-H545 PolarHBondContact NZ-NE2 2.91Å | ||
| 480 | M | 87.7 | Confident | 79.9 | Confident | 72 Ų | 72 | 54.1 Ų | 54.1 | 36% | 0.355 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 146 | 178.3 | -60.8 | -62.4 | -85.9 | 0 | 0 | 110.7 | P476 V526 P527 | P476-M480 HydrophobicContact CB-CE 4.4Å; P476-M480 HydrophobicContact CB-SD 4.21Å; M480-V526 WeakPolarHBondContact CA-O 3.13Å; M480-P527 HydrophobicContact SD-CB 4.48Å; M480-P527 HydrophobicContact SD-CG 3.97Å |
| 481 | C | 88.2 | Confident | 80.5 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 152.9 | -179.3 | -58.1 | 0 | 0 | 0 | 0 | 110.2 | T525 V526 W531 I543 H545 | C481-T525 CarbonylContact O-C 3.57Å; C481-T525 WeakPolarHBondContact O-CA 3.37Å; C481-V526 PolarHBondContact N-O 2.91Å; C481-V526 PolarHBondContact O-N 2.78Å; C481-W531 HydrophobicContact CB-CG 4.42Å; C481-I543 HydrophobicContact CB-CD1 4.18Å; C481-I543 HydrophobicContact CB-CG1 4.03Å; C481-I543 VanDerWaalsContact SG-CD1 3.57Å; C481-H545 VanDerWaalsContact SG-CE1 3.52Å; C481-H545 PolarHBondContact SG-ND1 2.83Å |
| 482 | Y | 88 | Confident | 81.2 | Confident | 66 Ų | 66 | 47.6 Ų | 47.6 | 26% | 0.259 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 142.8 | -177.4 | -62.7 | -75.9 | 0 | 0 | 0 | 112.7 | I523 L524 T525 W531 I544 L547 | Y482-I523 HydrophobicContact CD1-CB 4.31Å; Y482-I523 HydrophobicContact CD1-CD1 3.32Å; Y482-I523 HydrophobicContact CD1-CG1 4.39Å; Y482-I523 HydrophobicContact CE1-CD1 3.45Å; Y482-I523 VanDerWaalsContact CE1-CD1 3.45Å; Y482-I523 HydrophobicContact CG-CD1 4.27Å; Y482-L524 WeakPolarHBondContact CA-O 3.15Å; Y482-T525 HydrophobicContact CD1-CG2 3.78Å; Y482-T525 HydrophobicContact CE1-CG2 3.58Å; Y482-W531 PolarHBondContact O-NE1 2.76Å; Y482-I544 HydrophobicContact CD2-CG2 4.03Å; Y482-I544 PolarHBondContact N-O 2.65Å; Y482-L547 HydrophobicContact CD2-CB 4.46Å; Y482-L547 HydrophobicContact CE2-CB 4.2Å; Y482-L547 HydrophobicContact CG-CD1 4.5Å |
| 483 | V | 87.4 | Confident | 82 | Confident | 3 Ų | 3 | 46.2 Ų | 46.2 | 2% | 0.018 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 149.1 | 174.7 | 66 | 0 | 0 | 0 | 0 | 110.4 | K485 W487 V488 M500 I523 L524 V526 | V483-K485 PolarHBondContact O-N 2.86Å; V483-W487 HydrophobicContact CG2-CE3 3.92Å; V483-W487 HydrophobicContact CG2-CZ3 4.33Å; V483-V488 HydrophobicContact CB-CG2 4.45Å; V483-V488 HydrophobicContact CG1-CG2 3.61Å; V483-V488 HydrophobicContact CG2-CG2 3.96Å; V483-M500 HydrophobicContact CG2-CE 3.78Å; V483-I523 CarbonylContact O-C 3.57Å; V483-I523 WeakPolarHBondContact O-CA 3.37Å; V483-L524 HydrophobicContact CG1-CB 4.12Å; V483-L524 PolarHBondContact N-O 2.84Å; V483-L524 PolarHBondContact O-N 3.35Å; V483-V526 HydrophobicContact CB-CG2 4.18Å; V483-V526 HydrophobicContact CG1-CB 4.46Å; V483-V526 HydrophobicContact CG1-CG1 3.77Å; V483-V526 HydrophobicContact CG1-CG2 3.87Å |
| 484 | S | 87.5 | Confident | 83.2 | Confident | 3 Ų | 3 | 43.6 Ų | 43.6 | 2% | 0.021 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 118.5 | 176.5 | 176.8 | 0 | 0 | 0 | 0 | 112.5 | P486 W487 V488 T501 | S484-P486 WeakPolarHBondContact OG-CD 3.26Å; S484-W487 PolarHBondContact O-N 2.89Å; S484-W487 VanDerWaalsContact O-N 3.14Å; S484-W487 PolarHBondContact OG-N 3.33Å; S484-V488 WeakPolarHBondContact O-CG2 3.24Å; S484-V488 PolarHBondContact O-N 3.06Å; S484-T501 WeakPolarHBondContact CB-O 3.45Å; S484-T501 PolarHBondContact OG-O 3.28Å; S484-T501 VanDerWaalsContact OG-O 3.13Å |
| 485 | K | 88 | Confident | 84.7 | Confident | 32 Ų | 32 | 37.5 Ų | 37.5 | 14% | 0.139 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -56.1 | -45.7 | 175.2 | -170.7 | -178.1 | -170.9 | -159.7 | 0 | 111.5 | E55 V483 W487 V488 V489 L522 L524 | E55-K485 WeakPolarHBondContact O-CE 3.08Å; E55-K485 PolarHBondContact O-NZ 2.81Å; E55-K485 WeakPolarHBondContact OE2-CE 3.44Å; E55-K485 IonicContact OE2-NZ 3.9Å; E55-K485 PolarHBondContact OE2-NZ 3.25Å; V483-K485 PolarHBondContact O-N 2.86Å; K485-W487 VanDerWaalsContact C-N 3.35Å; K485-W487 PolarHBondContact O-N 2.74Å; K485-V488 PolarHBondContact O-N 3.42Å; K485-V489 WeakPolarHBondContact O-CG2 3.48Å; K485-V489 PolarHBondContact O-N 2.81Å; K485-L522 WeakPolarHBondContact CB-O 3.38Å; K485-L522 PolarHBondContact N-O 2.97Å; K485-L524 HydrophobicContact CB-CD1 4.34Å; K485-L524 HydrophobicContact CB-CG 4.03Å; K485-L524 HydrophobicContact CG-CD1 3.96Å; K485-L524 HydrophobicContact CG-CD2 4.42Å; K485-L524 HydrophobicContact CG-CG 3.96Å |
| 486 | P | 87.4 | Confident | 86.1 | Confident | 10 Ų | 10 | 35.7 Ų | 35.7 | 7% | 0.065 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.1 | -41.5 | 173.6 | -29 | 38.7 | 0 | 0 | 0 | 114 | I59 S484 V489 R490 | I59-P486 HydrophobicContact CD1-CB 4.46Å; I59-P486 HydrophobicContact CD1-CG 3.25Å; S484-P486 WeakPolarHBondContact OG-CD 3.26Å; P486-V489 PolarHBondContact O-N 3.48Å; P486-R490 WeakPolarHBondContact O-CG 3.33Å; P486-R490 PolarHBondContact O-N 3.2Å |
| 487 | W | 90.1 | Very high | 87.4 | Confident | 1 Ų | 1 | 31.7 Ų | 31.7 | 0% | 0.004 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -68.6 | -36.3 | 177.4 | -174.8 | 84.3 | 0 | 0 | 0 | 111.9 | V483 S484 K485 R490 F491 G498 P499 M500 L534 F538 | V483-W487 HydrophobicContact CG2-CE3 3.92Å; V483-W487 HydrophobicContact CG2-CZ3 4.33Å; S484-W487 PolarHBondContact O-N 2.89Å; S484-W487 VanDerWaalsContact O-N 3.14Å; S484-W487 PolarHBondContact OG-N 3.33Å; K485-W487 VanDerWaalsContact C-N 3.35Å; K485-W487 PolarHBondContact O-N 2.74Å; W487-R490 CarbonylContact O-C 3.56Å; W487-R490 WeakPolarHBondContact O-CB 3.38Å; W487-R490 PolarHBondContact O-N 3.25Å; W487-F491 HydrophobicContact CE3-CB 4.36Å; W487-F491 HydrophobicContact CH2-CB 4.06Å; W487-F491 AromaticContact CH2-CD2 3.92Å; W487-F491 HydrophobicContact CH2-CD2 3.92Å; W487-F491 HydrophobicContact CH2-CG 4.16Å; W487-F491 HydrophobicContact CZ2-CB 4.34Å; W487-F491 HydrophobicContact CZ2-CD2 4.36Å; W487-F491 HydrophobicContact CZ3-CB 4.07Å; W487-F491 HydrophobicContact CZ3-CG 4.36Å; W487-F491 WeakPolarHBondContact O-CB 3.46Å; W487-F491 PolarHBondContact O-N 2.9Å; W487-G498 PolarHBondContact NE1-O 3.33Å; W487-G498 VanDerWaalsContact NE1-O 3.08Å; W487-P499 PolarHBondContact NE1-O 3.35Å; W487-M500 HydrophobicContact CD2-CB 4.35Å; W487-M500 HydrophobicContact CD2-CG 3.93Å; W487-M500 HydrophobicContact CE3-CG 4.09Å; W487-M500 HydrophobicContact CH2-CG 3.73Å; W487-M500 HydrophobicContact CH2-SD 4.3Å; W487-M500 HydrophobicContact CZ2-CG 3.53Å; W487-M500 HydrophobicContact CZ3-CE 4.28Å; W487-M500 HydrophobicContact CZ3-CG 4Å; W487-L534 HydrophobicContact CH2-CB 4.15Å; W487-L534 HydrophobicContact CH2-CD1 4.2Å; W487-L534 HydrophobicContact CH2-CD2 4.23Å; W487-L534 HydrophobicContact CH2-CG 4.42Å; W487-L534 HydrophobicContact CZ3-CD1 4.07Å; W487-F538 AromaticContact CH2-CD2 3.87Å; W487-F538 HydrophobicContact CH2-CD2 3.87Å; W487-F538 HydrophobicContact CH2-CE2 4.18Å; W487-F538 HydrophobicContact CZ2-CB 4.12Å; W487-F538 HydrophobicContact CZ2-CD1 4.5Å; W487-F538 AromaticContact CZ2-CD2 3.6Å; W487-F538 HydrophobicContact CZ2-CD2 3.6Å; W487-F538 HydrophobicContact CZ2-CE2 4.11Å; W487-F538 AromaticContact CZ2-CG 3.82Å; W487-F538 HydrophobicContact CZ2-CG 3.82Å |
| 488 | V | 88.7 | Confident | 88.4 | Confident | 14 Ų | 14 | 29 Ų | 29 | 9% | 0.085 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.8 | -44 | 172.4 | 170.5 | 0 | 0 | 0 | 0 | 110.8 | V483 S484 K485 R490 F491 W492 L524 | V483-V488 HydrophobicContact CB-CG2 4.45Å; V483-V488 HydrophobicContact CG1-CG2 3.61Å; V483-V488 HydrophobicContact CG2-CG2 3.96Å; S484-V488 WeakPolarHBondContact O-CG2 3.24Å; S484-V488 PolarHBondContact O-N 3.06Å; K485-V488 PolarHBondContact O-N 3.42Å; V488-R490 PolarHBondContact O-N 2.85Å; V488-F491 WeakPolarHBondContact O-CB 3.22Å; V488-F491 PolarHBondContact O-N 3.45Å; V488-W492 PolarHBondContact O-N 2.91Å; V488-L524 HydrophobicContact CB-CD1 4.06Å; V488-L524 HydrophobicContact CG1-CD1 3.88Å; V488-L524 HydrophobicContact CG2-CD1 4.23Å |
| 489 | V | 89 | Confident | 89 | Confident | 7 Ų | 7 | 29.1 Ų | 29.1 | 4% | 0.042 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60.1 | -43.9 | 174.1 | 172.7 | 0 | 0 | 0 | 0 | 111.3 | E51 E55 K485 P486 W492 T493 | E51-V489 HydrophobicContact CB-CG1 3.96Å; E55-V489 HydrophobicContact CB-CG2 3.78Å; E55-V489 HydrophobicContact CG-CG2 4.21Å; K485-V489 WeakPolarHBondContact O-CG2 3.48Å; K485-V489 PolarHBondContact O-N 2.81Å; P486-V489 PolarHBondContact O-N 3.48Å; V489-W492 PolarHBondContact O-N 2.72Å; V489-T493 PolarHBondContact O-N 3.25Å; V489-T493 VanDerWaalsContact O-N 3.14Å; V489-T493 PolarHBondContact O-OG1 3.02Å |
| 490 | R | 91.2 | Very high | 89.2 | Confident | 48 Ų | 48 | 24 Ų | 24 | 18% | 0.181 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -57.7 | -49.9 | 171.5 | -70.6 | -174.5 | 173.2 | 129.9 | -2.4 | 110.9 | D159 P486 W487 V488 W492 T493 W494 P497 E503 | D159-R490 IonicContact OD2-CZ 3.11Å; D159-R490 IonicContact OD2-NE 2.77Å; D159-R490 IonicContact OD2-NH2 2.75Å; D159-R490 PolarHBondContact OD2-NH2 3.18Å; P486-R490 WeakPolarHBondContact O-CG 3.33Å; P486-R490 PolarHBondContact O-N 3.2Å; W487-R490 CarbonylContact O-C 3.56Å; W487-R490 WeakPolarHBondContact O-CB 3.38Å; W487-R490 PolarHBondContact O-N 3.25Å; V488-R490 PolarHBondContact O-N 2.85Å; R490-W492 VanDerWaalsContact C-N 3.3Å; R490-W492 PolarHBondContact O-N 3.29Å; R490-T493 PolarHBondContact O-N 2.85Å; R490-T493 VanDerWaalsContact O-N 3.14Å; R490-W494 HydrophobicContact CB-CD2 4.26Å; R490-W494 HydrophobicContact CB-CG 4.13Å; R490-W494 HydrophobicContact CG-CD2 4.15Å; R490-W494 HydrophobicContact CG-CG 4.44Å; R490-W494 HydrophobicContact CG-CZ2 4.01Å; R490-W494 VanDerWaalsContact O-CB 3.24Å; R490-W494 WeakPolarHBondContact O-CB 3.46Å; R490-W494 PolarHBondContact O-N 3.42Å; R490-P497 HydrophobicContact CB-CB 3.98Å; R490-E503 IonicContact NH1-OE1 3.16Å; R490-E503 PolarHBondContact NH1-OE1 2.91Å |
| 491 | F | 90.6 | Very high | 88.7 | Confident | 3 Ų | 3 | 22.3 Ų | 22.3 | 1% | 0.013 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -57.2 | -37.9 | -179.7 | 171.3 | -90.6 | 0 | 0 | 0 | 113.5 | I468 R469 L472 W487 V488 P497 L534 F538 | I468-F491 HydrophobicContact CG2-CZ 4.12Å; R469-F491 HydrophobicContact CG-CD1 4.47Å; R469-F491 HydrophobicContact CG-CE1 3.55Å; R469-F491 HydrophobicContact CG-CZ 3.77Å; R469-F491 PolarHBondContact NE-O 3.37Å; R469-F491 PolarHBondContact NH2-O 3.5Å; L472-F491 HydrophobicContact CD1-CD1 4.25Å; L472-F491 HydrophobicContact CD1-CE1 3.33Å; L472-F491 HydrophobicContact CD1-CZ 3.53Å; W487-F491 HydrophobicContact CE3-CB 4.36Å; W487-F491 HydrophobicContact CH2-CB 4.06Å; W487-F491 AromaticContact CH2-CD2 3.92Å; W487-F491 HydrophobicContact CH2-CD2 3.92Å; W487-F491 HydrophobicContact CH2-CG 4.16Å; W487-F491 HydrophobicContact CZ2-CB 4.34Å; W487-F491 HydrophobicContact CZ2-CD2 4.36Å; W487-F491 HydrophobicContact CZ3-CB 4.07Å; W487-F491 HydrophobicContact CZ3-CG 4.36Å; W487-F491 WeakPolarHBondContact O-CB 3.46Å; W487-F491 PolarHBondContact O-N 2.9Å; V488-F491 WeakPolarHBondContact O-CB 3.22Å; V488-F491 PolarHBondContact O-N 3.45Å; F491-P497 HydrophobicContact CB-CB 4.43Å; F491-P497 HydrophobicContact CD2-CG 4.46Å; F491-L534 HydrophobicContact CD2-CD2 4.19Å; F491-L534 HydrophobicContact CE2-CD2 3.69Å; F491-L534 HydrophobicContact CZ-CD2 4.05Å; F491-F538 AromaticContact CD2-CE2 3.8Å; F491-F538 HydrophobicContact CD2-CE2 3.8Å; F491-F538 AromaticContact CD2-CZ 3.91Å; F491-F538 HydrophobicContact CD2-CZ 3.91Å; F491-F538 AromaticContact CE2-CE2 3.78Å; F491-F538 HydrophobicContact CE2-CE2 3.78Å; F491-F538 AromaticContact CE2-CZ 3.95Å; F491-F538 HydrophobicContact CE2-CZ 3.95Å |
| 492 | W | 87.4 | Confident | 87.9 | Confident | 53 Ų | 53 | 23.5 Ų | 23.5 | 20% | 0.201 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -74.7 | -33.5 | 176.8 | -77.1 | 108.6 | 0 | 0 | 0 | 113.7 | R469 L472 Q473 V488 V489 R490 | R469-W492 HydrophobicContact CB-CE3 4.12Å; R469-W492 HydrophobicContact CB-CH2 4Å; R469-W492 HydrophobicContact CB-CZ3 3.54Å; R469-W492 HydrophobicContact CG-CE3 3.85Å; R469-W492 HydrophobicContact CG-CH2 4.42Å; R469-W492 HydrophobicContact CG-CZ3 3.8Å; R469-W492 VanDerWaalsContact O-CH2 3.28Å; R469-W492 WeakPolarHBondContact O-CH2 3.39Å; L472-W492 HydrophobicContact CB-CH2 4.45Å; L472-W492 HydrophobicContact CB-CZ2 4.23Å; Q473-W492 HydrophobicContact CG-CH2 4.21Å; V488-W492 PolarHBondContact O-N 2.91Å; V489-W492 PolarHBondContact O-N 2.72Å; R490-W492 VanDerWaalsContact C-N 3.3Å; R490-W492 PolarHBondContact O-N 3.29Å |
| 493 | T | 88.9 | Confident | 87.3 | Confident | 5 Ų | 5 | 23.8 Ų | 23.8 | 3% | 0.031 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -101.8 | -39 | -170.7 | 52.9 | 0 | 0 | 0 | 0 | 114.1 | P47 H48 E51 R459 V489 R490 | P47-T493 HydrophobicContact CB-CG2 4.23Å; H48-T493 PolarHBondContact NE2-O 3.39Å; E51-T493 HydrophobicContact CB-CG2 4.02Å; E51-T493 HydrophobicContact CG-CG2 3.95Å; R459-T493 PolarHBondContact NE-O 3.03Å; R459-T493 PolarHBondContact NH2-O 3.42Å; V489-T493 PolarHBondContact O-N 3.25Å; V489-T493 VanDerWaalsContact O-N 3.14Å; V489-T493 PolarHBondContact O-OG1 3.02Å; R490-T493 PolarHBondContact O-N 2.85Å; R490-T493 VanDerWaalsContact O-N 3.14Å |
| 494 | W | 92.4 | Very high | 87.1 | Confident | 27 Ų | 27 | 23.7 Ų | 23.7 | 10% | 0.102 | 13% | 0.129 | C | C | . | . | trans | -80.6 | 157.3 | -173.3 | -64.2 | 38.9 | 0 | 0 | 0 | 112.3 | H48 D159 E354 R469 R490 P497 | H48-W494 AromaticContact CD2-CD1 3.38Å; H48-W494 AromaticContact CD2-CG 3.82Å; H48-W494 AromaticContact CD2-NE1 3.82Å; D159-W494 HydrophobicContact CB-CH2 3.63Å; D159-W494 HydrophobicContact CB-CZ2 3.82Å; E354-W494 HydrophobicContact CG-CB 4.47Å; E354-W494 HydrophobicContact CG-CD2 3.77Å; E354-W494 HydrophobicContact CG-CE3 3.64Å; E354-W494 HydrophobicContact CG-CG 4.17Å; E354-W494 HydrophobicContact CG-CZ3 4.14Å; E354-W494 WeakPolarHBondContact OE2-CA 3.37Å; E354-W494 WeakPolarHBondContact OE2-CB 3.29Å; R469-W494 PolarHBondContact NH2-O 3.08Å; R490-W494 HydrophobicContact CB-CD2 4.26Å; R490-W494 HydrophobicContact CB-CG 4.13Å; R490-W494 HydrophobicContact CG-CD2 4.15Å; R490-W494 HydrophobicContact CG-CG 4.44Å; R490-W494 HydrophobicContact CG-CZ2 4.01Å; R490-W494 VanDerWaalsContact O-CB 3.24Å; R490-W494 WeakPolarHBondContact O-CB 3.46Å; R490-W494 PolarHBondContact O-N 3.42Å; W494-P497 HydrophobicContact CB-CB 4.3Å | ||
| 495 | A | 92.4 | Very high | 86.9 | Confident | 4 Ų | 4 | 25 Ų | 25 | 3% | 0.033 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -80.2 | -39.4 | 165.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | E354 I398 K460 D462 L465 | E354-A495 PolarHBondContact OE2-N 2.69Å; I398-A495 HydrophobicContact CB-CB 4.2Å; I398-A495 HydrophobicContact CG1-CB 4.26Å; I398-A495 HydrophobicContact CG2-CB 3.98Å; K460-A495 HydrophobicContact CB-CB 3.5Å; K460-A495 VanDerWaalsContact CB-CB 3.5Å; K460-A495 HydrophobicContact CD-CB 4.07Å; K460-A495 HydrophobicContact CG-CB 4.46Å; D462-A495 HydrophobicContact CB-CB 4.06Å; L465-A495 WeakPolarHBondContact CD1-O 3.46Å |
| 496 | E | 89.2 | Confident | 86.8 | Confident | 45 Ų | 45 | 24.6 Ų | 24.6 | 21% | 0.21 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -124.8 | 78.3 | -179.9 | -64 | -169.3 | 78.4 | 0 | 0 | 110.5 | K397 I398 G498 | K397-E496 WeakPolarHBondContact CB-OE1 3.43Å; K397-E496 WeakPolarHBondContact CG-OE1 3.36Å; K397-E496 PolarHBondContact N-OE1 3.03Å; K397-E496 VanDerWaalsContact N-OE1 3.17Å; K397-E496 PolarHBondContact N-OE2 3.27Å; I398-E496 HydrophobicContact CB-CG 4.31Å; I398-E496 HydrophobicContact CG1-CG 3.86Å; I398-E496 PolarHBondContact N-OE2 3.03Å; E496-G498 PolarHBondContact O-N 3.1Å |
| 497 | P | 90.4 | Very high | 86.6 | Confident | 6 Ų | 6 | 32.7 Ų | 32.7 | 4% | 0.039 | 17% | 0.172 | C | C | . | . | trans | -67.8 | -3.1 | -171.3 | 29.3 | -38.4 | 0 | 0 | 0 | 115.5 | L465 R490 F491 W494 F538 | L465-P497 HydrophobicContact CD1-CG 4.46Å; R490-P497 HydrophobicContact CB-CB 3.98Å; F491-P497 HydrophobicContact CB-CB 4.43Å; F491-P497 HydrophobicContact CD2-CG 4.46Å; W494-P497 HydrophobicContact CB-CB 4.3Å; P497-F538 HydrophobicContact CG-CD1 4.07Å; P497-F538 HydrophobicContact CG-CE1 3.52Å; P497-F538 HydrophobicContact CG-CZ 3.93Å | ||
| 498 | G | 88.7 | Confident | 86.4 | Confident | 32 Ų | 32 | 36.8 Ų | 36.8 | 33% | 0.33 | 19% | 0.191 | S | C | . | . | trans | 73.5 | -178 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114 | W487 E496 | W487-G498 PolarHBondContact NE1-O 3.33Å; W487-G498 VanDerWaalsContact NE1-O 3.08Å; E496-G498 PolarHBondContact O-N 3.1Å | ||
| 499 | P | 90.5 | Very high | 86.1 | Confident | 70 Ų | 70 | 38.4 Ų | 38.4 | 46% | 0.455 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -62.6 | 157.4 | 175.7 | 29.6 | -35.9 | 0 | 0 | 0 | 111.2 | W487 T501 F538 | W487-P499 PolarHBondContact NE1-O 3.35Å; P499-T501 HydrophobicContact CG-CG2 4.47Å; P499-T501 WeakPolarHBondContact O-CG2 3.4Å; P499-T501 PolarHBondContact O-N 3.38Å; P499-F538 VanDerWaalsContact CA-O 3.28Å; P499-F538 WeakPolarHBondContact CA-O 3.43Å; P499-F538 WeakPolarHBondContact CB-O 3.41Å |
| 500 | M | 89 | Confident | 86.1 | Confident | 4 Ų | 4 | 43.3 Ų | 43.3 | 2% | 0.02 | 23% | 0.229 | C | C | . | . | B | Isolated β-bridge | trans | -62.5 | 99.9 | 174.3 | -64.3 | 173.4 | 70.9 | 0 | 0 | 108.9 | V483 W487 W531 L534 H535 F538 G539 G540 H541 | V483-M500 HydrophobicContact CG2-CE 3.78Å; W487-M500 HydrophobicContact CD2-CB 4.35Å; W487-M500 HydrophobicContact CD2-CG 3.93Å; W487-M500 HydrophobicContact CE3-CG 4.09Å; W487-M500 HydrophobicContact CH2-CG 3.73Å; W487-M500 HydrophobicContact CH2-SD 4.3Å; W487-M500 HydrophobicContact CZ2-CG 3.53Å; W487-M500 HydrophobicContact CZ3-CE 4.28Å; W487-M500 HydrophobicContact CZ3-CG 4Å; M500-W531 HydrophobicContact CE-CD2 4.34Å; M500-W531 HydrophobicContact CE-CG 4.31Å; M500-W531 HydrophobicContact CE-CZ2 4.33Å; M500-L534 HydrophobicContact CE-CB 4.38Å; M500-L534 HydrophobicContact SD-CB 3.87Å; M500-H535 HydrophobicContact SD-CB 4.02Å; M500-H535 PolarHBondContact SD-N 3.27Å; M500-F538 HydrophobicContact CG-CB 4.48Å; M500-G539 WeakPolarHBondContact CB-O 3.09Å; M500-G539 PolarHBondContact N-O 2.94Å; M500-G540 WeakPolarHBondContact O-CA 3.49Å; M500-H541 PolarHBondContact O-CD2 3.46Å; M500-H541 VanDerWaalsContact O-CD2 3.23Å |
| 501 | T | 77.9 | Confident | 86.1 | Confident | 36 Ų | 36 | 41 Ų | 41 | 22% | 0.221 | 22% | 0.221 | C | C | . | . | trans | -88.4 | 130.9 | -172.2 | 45.6 | 0 | 0 | 0 | 0 | 112.1 | S484 P499 | S484-T501 WeakPolarHBondContact CB-O 3.45Å; S484-T501 PolarHBondContact OG-O 3.28Å; S484-T501 VanDerWaalsContact OG-O 3.13Å; P499-T501 HydrophobicContact CG-CG2 4.47Å; P499-T501 WeakPolarHBondContact O-CG2 3.4Å; P499-T501 PolarHBondContact O-N 3.38Å | ||
| 502 | S | 70.8 | Confident | 86 | Confident | 25 Ų | 25 | 41.7 Ų | 41.7 | 18% | 0.175 | 22% | 0.223 | C | C | . | . | trans | -117.7 | 58.5 | -175.4 | -103.5 | 0 | 0 | 0 | 0 | 111.4 | F504 F505 H541 | S502-F504 PolarHBondContact O-N 3.01Å; S502-F504 VanDerWaalsContact O-N 3.12Å; S502-F505 PolarHBondContact O-N 3.22Å; S502-F505 WeakPolarHBondContact OG-CD2 3.47Å; S502-F505 WeakPolarHBondContact OG-CE2 3.3Å; S502-H541 PolarHBondContact OG-CD2 2.81Å; S502-H541 VanDerWaalsContact OG-CG 3.32Å; S502-H541 PolarHBondContact OG-NE2 2.65Å | ||
| 503 | E | 75.3 | Confident | 86.1 | Confident | 71 Ų | 71 | 39.7 Ų | 39.7 | 33% | 0.332 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -15.5 | -172.9 | -49.9 | 177.6 | -166.2 | 0 | 0 | 113.7 | L132 R490 R512 | L132-E503 HydrophobicContact CB-CB 3.89Å; L132-E503 HydrophobicContact CD1-CB 4.08Å; L132-E503 WeakPolarHBondContact CD1-OE2 3.47Å; L132-E503 HydrophobicContact CD2-CB 4.25Å; L132-E503 HydrophobicContact CG-CB 4.28Å; R490-E503 IonicContact NH1-OE1 3.16Å; R490-E503 PolarHBondContact NH1-OE1 2.91Å; E503-R512 PolarHBondContact O-NH1 2.89Å |
| 504 | F | 83.4 | Confident | 85.9 | Confident | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.009 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 5.7 | 174.8 | 49.9 | -101.8 | 0 | 0 | 0 | 114 | L132 S502 F511 R512 L515 L522 I523 | L132-F504 HydrophobicContact CD2-CB 3.89Å; L132-F504 HydrophobicContact CD2-CD1 4.46Å; S502-F504 PolarHBondContact O-N 3.01Å; S502-F504 VanDerWaalsContact O-N 3.12Å; F504-F511 HydrophobicContact CB-CE2 4.09Å; F504-F511 HydrophobicContact CB-CZ 4.19Å; F504-F511 AromaticContact CD2-CD2 3.57Å; F504-F511 HydrophobicContact CD2-CD2 3.57Å; F504-F511 AromaticContact CD2-CE2 3.21Å; F504-F511 HydrophobicContact CD2-CE2 3.21Å; F504-F511 HydrophobicContact CD2-CZ 4.12Å; F504-F511 HydrophobicContact CE2-CD2 4.14Å; F504-F511 AromaticContact CE2-CE2 3.78Å; F504-F511 HydrophobicContact CE2-CE2 3.78Å; F504-F511 AromaticContact CG-CE2 3.89Å; F504-F511 HydrophobicContact CG-CE2 3.89Å; F504-F511 HydrophobicContact CG-CZ 4.39Å; F504-R512 WeakPolarHBondContact O-CB 3.17Å; F504-R512 WeakPolarHBondContact O-CG 3.47Å; F504-R512 PolarHBondContact O-N 3.39Å; F504-L515 HydrophobicContact CB-CD1 3.62Å; F504-L522 HydrophobicContact CB-CD1 4.08Å; F504-L522 HydrophobicContact CD1-CB 4.04Å; F504-L522 HydrophobicContact CD1-CD2 4.5Å; F504-L522 HydrophobicContact CE1-CB 4.26Å; F504-L522 WeakPolarHBondContact CE1-O 3.11Å; F504-L522 HydrophobicContact CG-CB 4.42Å; F504-L522 HydrophobicContact CG-CD1 4.48Å; F504-I523 HydrophobicContact CD2-CG2 4.49Å; F504-I523 HydrophobicContact CE1-CG2 4.44Å; F504-I523 HydrophobicContact CE2-CG2 3.48Å; F504-I523 VanDerWaalsContact CE2-CG2 3.48Å; F504-I523 HydrophobicContact CZ-CG2 3.47Å; F504-I523 VanDerWaalsContact CZ-CG2 3.47Å |
| 505 | F | 84.5 | Confident | 85.7 | Confident | 31 Ų | 31 | 41.8 Ų | 41.8 | 14% | 0.136 | 23% | 0.228 | C | C | . | . | B | Isolated β-bridge | trans | -98.5 | 144.3 | 166.7 | -68.1 | -92.7 | 0 | 0 | 0 | 110.3 | S502 G509 Y510 F511 I544 L547 | S502-F505 PolarHBondContact O-N 3.22Å; S502-F505 WeakPolarHBondContact OG-CD2 3.47Å; S502-F505 WeakPolarHBondContact OG-CE2 3.3Å; F505-G509 VanDerWaalsContact CD1-O 3.3Å; F505-G509 WeakPolarHBondContact CD1-O 3.34Å; F505-Y510 WeakPolarHBondContact CA-O 3.37Å; F505-Y510 VanDerWaalsContact CD1-C 3.46Å; F505-F511 HydrophobicContact CE1-CB 4.4Å; F505-F511 HydrophobicContact CE1-CD2 4.48Å; F505-F511 HydrophobicContact CZ-CD2 4.43Å; F505-I544 HydrophobicContact CE1-CD1 4.13Å; F505-I544 HydrophobicContact CE1-CG1 3.97Å; F505-I544 HydrophobicContact CE1-CG2 4.49Å; F505-I544 HydrophobicContact CE2-CD1 3.6Å; F505-I544 HydrophobicContact CE2-CG1 4.34Å; F505-I544 HydrophobicContact CZ-CB 4.4Å; F505-I544 HydrophobicContact CZ-CD1 3.32Å; F505-I544 HydrophobicContact CZ-CG1 3.58Å; F505-I544 HydrophobicContact CZ-CG2 4.22Å; F505-L547 HydrophobicContact CZ-CD1 4.16Å |
| 506 | C | 85.1 | Confident | 85.5 | Confident | 22 Ų | 22 | 44.8 Ų | 44.8 | 15% | 0.149 | 24% | 0.238 | C | C | . | . | trans | -82.1 | 174.6 | 173.2 | 66.9 | 0 | 0 | 0 | 0 | 110.8 | H508 G509 Y510 R512 C550 | C506-H508 PolarHBondContact O-N 3.46Å; C506-G509 PolarHBondContact O-N 2.94Å; C506-Y510 PolarHBondContact N-O 3.21Å; C506-Y510 PolarHBondContact SG-O 3.25Å; C506-R512 HydrophobicContact CB-CG 4.05Å; C506-C550 VanDerWaalsContact SG-CB 3.59Å; C506-C550 PolarHBondContact SG-SG 2.66Å | ||
| 507 | E | 83.6 | Confident | 85.4 | Confident | 181 Ų | 181 | 50.3 Ų | 50.3 | 85% | 0.846 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -20.3 | 177.7 | 60.9 | -173.9 | -171.1 | 0 | 0 | 114.3 | G509 | E507-G509 PolarHBondContact O-N 2.78Š|
| 508 | H | 85.7 | Confident | 85.2 | Confident | 86 Ų | 86 | 51.2 Ų | 51.2 | 40% | 0.398 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -5.6 | 169.8 | -47.2 | 110.6 | 0 | 0 | 0 | 113.4 | C506 Y510 C550 D552 C553 | C506-H508 PolarHBondContact O-N 3.46Å; H508-Y510 VanDerWaalsContact C-N 3.34Å; H508-Y510 HydrophobicContact CB-CD2 4Å; H508-Y510 VanDerWaalsContact O-CD2 3.31Å; H508-Y510 WeakPolarHBondContact O-CD2 3.39Å; H508-C550 PolarHBondContact ND1-SG 2.81Å; H508-C550 VanDerWaalsContact ND1-SG 3.38Å; H508-D552 IonicContact CG-OD2 2.73Å; H508-C553 PolarHBondContact ND1-SG 2.97Å; H508-C553 VanDerWaalsContact ND1-SG 3.44Å |
| 509 | G | 82.4 | Confident | 85.2 | Confident | 49 Ų | 49 | 52.8 Ų | 52.8 | 51% | 0.505 | 26% | 0.264 | S | S | . | . | S | Bend | trans | 85.7 | -2.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | F505 C506 E507 | F505-G509 VanDerWaalsContact CD1-O 3.3Å; F505-G509 WeakPolarHBondContact CD1-O 3.34Å; C506-G509 PolarHBondContact O-N 2.94Å; E507-G509 PolarHBondContact O-N 2.78Å |
| 510 | Y | 88.3 | Confident | 85.1 | Confident | 110 Ų | 110 | 55.3 Ų | 55.3 | 43% | 0.431 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -98.1 | 163.7 | 179.1 | -62.5 | -77.5 | 0 | 0 | 0 | 112.5 | F505 C506 H508 I548 | F505-Y510 WeakPolarHBondContact CA-O 3.37Å; F505-Y510 VanDerWaalsContact CD1-C 3.46Å; C506-Y510 PolarHBondContact N-O 3.21Å; C506-Y510 PolarHBondContact SG-O 3.25Å; H508-Y510 VanDerWaalsContact C-N 3.34Å; H508-Y510 HydrophobicContact CB-CD2 4Å; H508-Y510 VanDerWaalsContact O-CD2 3.31Å; H508-Y510 WeakPolarHBondContact O-CD2 3.39Å; Y510-I548 HydrophobicContact CD1-CB 4.25Å; Y510-I548 HydrophobicContact CD1-CG2 4.44Å |
| 511 | F | 91 | Very high | 84.9 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 29% | 0.285 | C | S | . | . | B | Isolated β-bridge | trans | -67.4 | 137.4 | -178.3 | -164.1 | -85.5 | 0 | 0 | 0 | 110.6 | F504 F505 P513 L515 W516 R519 L522 L547 I548 P549 C550 | F504-F511 HydrophobicContact CB-CE2 4.09Å; F504-F511 HydrophobicContact CB-CZ 4.19Å; F504-F511 AromaticContact CD2-CD2 3.57Å; F504-F511 HydrophobicContact CD2-CD2 3.57Å; F504-F511 AromaticContact CD2-CE2 3.21Å; F504-F511 HydrophobicContact CD2-CE2 3.21Å; F504-F511 HydrophobicContact CD2-CZ 4.12Å; F504-F511 HydrophobicContact CE2-CD2 4.14Å; F504-F511 AromaticContact CE2-CE2 3.78Å; F504-F511 HydrophobicContact CE2-CE2 3.78Å; F504-F511 AromaticContact CG-CE2 3.89Å; F504-F511 HydrophobicContact CG-CE2 3.89Å; F504-F511 HydrophobicContact CG-CZ 4.39Å; F505-F511 HydrophobicContact CE1-CB 4.4Å; F505-F511 HydrophobicContact CE1-CD2 4.48Å; F505-F511 HydrophobicContact CZ-CD2 4.43Å; F511-P513 VanDerWaalsContact O-CD 3.29Å; F511-P513 WeakPolarHBondContact O-CD 3.3Å; F511-L515 HydrophobicContact CE1-CB 3.79Å; F511-L515 HydrophobicContact CZ-CB 4.26Å; F511-W516 HydrophobicContact CB-CZ3 4.49Å; F511-W516 AromaticContact CD1-CE3 3.81Å; F511-W516 HydrophobicContact CD1-CE3 3.81Å; F511-W516 HydrophobicContact CD1-CZ3 4.42Å; F511-W516 HydrophobicContact CE1-CE3 4.35Å; F511-W516 HydrophobicContact CG-CE3 4.34Å; F511-R519 HydrophobicContact CE1-CB 4.06Å; F511-R519 HydrophobicContact CE2-CB 4.27Å; F511-R519 HydrophobicContact CZ-CB 3.67Å; F511-L522 HydrophobicContact CZ-CD1 3.98Å; F511-L547 HydrophobicContact CB-CG 4.35Å; F511-L547 HydrophobicContact CD2-CD1 3.61Å; F511-L547 HydrophobicContact CD2-CD2 3.92Å; F511-L547 HydrophobicContact CD2-CG 3.87Å; F511-L547 HydrophobicContact CE2-CD1 4.17Å; F511-L547 HydrophobicContact CE2-CD2 4.04Å; F511-L547 HydrophobicContact CE2-CG 4.45Å; F511-L547 HydrophobicContact CG-CD1 4.39Å; F511-L547 HydrophobicContact CG-CD2 4.33Å; F511-L547 HydrophobicContact CG-CG 4.23Å; F511-I548 VanDerWaalsContact CB-O 3.29Å; F511-I548 WeakPolarHBondContact CB-O 3.42Å; F511-I548 PolarHBondContact N-O 3.24Å; F511-P549 CarbonylContact O-C 3.49Å; F511-P549 WeakPolarHBondContact O-CA 3.45Å; F511-C550 PolarHBondContact O-N 2.8Å |
| 512 | R | 90 | Very high | 85.3 | Confident | 17 Ų | 17 | 55.1 Ų | 55.1 | 6% | 0.064 | 27% | 0.274 | C | S | . | . | trans | -64.1 | 113.4 | -179.7 | -77.2 | 174.6 | 65.3 | -169.6 | -5.2 | 110.4 | R131 L132 E503 F504 C506 E514 L515 | R131-R512 PolarHBondContact O-NH2 3.39Å; L132-R512 PolarHBondContact O-NH1 3.45Å; E503-R512 PolarHBondContact O-NH1 2.89Å; F504-R512 WeakPolarHBondContact O-CB 3.17Å; F504-R512 WeakPolarHBondContact O-CG 3.47Å; F504-R512 PolarHBondContact O-N 3.39Å; C506-R512 HydrophobicContact CB-CG 4.05Å; R512-E514 WeakPolarHBondContact CB-OE2 3.29Å; R512-E514 IonicContact CZ-OE1 3.21Å; R512-E514 IonicContact NE-OE1 3.59Å; R512-E514 PolarHBondContact NE-OE1 3.5Å; R512-E514 IonicContact NH2-OE1 2.67Å; R512-E514 PolarHBondContact NH2-OE1 3.2Å; R512-E514 PolarHBondContact O-N 2.75Å; R512-L515 HydrophobicContact CB-CB 4.42Å; R512-L515 HydrophobicContact CB-CD1 4.01Å; R512-L515 HydrophobicContact CB-CG 4.09Å; R512-L515 PolarHBondContact O-N 2.87Å | ||
| 513 | P | 89.3 | Confident | 86.2 | Confident | 11 Ų | 11 | 54.7 Ų | 54.7 | 7% | 0.071 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -57.2 | -34.7 | -174 | -27.2 | 36.3 | 0 | 0 | 0 | 113.7 | F511 L515 W516 P549 C550 C553 W601 | F511-P513 VanDerWaalsContact O-CD 3.29Å; F511-P513 WeakPolarHBondContact O-CD 3.3Å; P513-L515 PolarHBondContact O-N 3.45Å; P513-L515 VanDerWaalsContact O-N 3.17Å; P513-W516 WeakPolarHBondContact O-CB 3.49Å; P513-W516 PolarHBondContact O-N 3.34Å; P513-P549 HydrophobicContact CG-CB 4.49Å; P513-C550 HydrophobicContact CG-CB 4.11Å; P513-C550 VanDerWaalsContact CG-O 3.23Å; P513-C550 WeakPolarHBondContact CG-O 3.42Å; P513-C553 HydrophobicContact CG-CB 4.09Å; P513-W601 HydrophobicContact CB-CE3 4.35Å; P513-W601 HydrophobicContact CB-CH2 3.33Å; P513-W601 HydrophobicContact CB-CZ2 3.84Å; P513-W601 HydrophobicContact CB-CZ3 3.59Å; P513-W601 HydrophobicContact CG-CH2 4.24Å; P513-W601 HydrophobicContact CG-CZ3 4.25Å |
| 514 | E | 84.3 | Confident | 86.7 | Confident | 72 Ų | 72 | 53.6 Ų | 53.6 | 34% | 0.336 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -65.8 | -16.5 | 178.4 | 72.9 | -83.6 | -160.5 | 0 | 0 | 113.8 | R512 W601 | R512-E514 WeakPolarHBondContact CB-OE2 3.29Å; R512-E514 IonicContact CZ-OE1 3.21Å; R512-E514 IonicContact NE-OE1 3.59Å; R512-E514 PolarHBondContact NE-OE1 3.5Å; R512-E514 IonicContact NH2-OE1 2.67Å; R512-E514 PolarHBondContact NH2-OE1 3.2Å; R512-E514 PolarHBondContact O-N 2.75Å; E514-W601 HydrophobicContact CB-CB 3.55Å; E514-W601 HydrophobicContact CB-CD2 3.72Å; E514-W601 HydrophobicContact CB-CE3 4.01Å; E514-W601 HydrophobicContact CB-CG 3.49Å; E514-W601 VanDerWaalsContact CB-CG 3.49Å |
| 515 | L | 87.9 | Confident | 86.9 | Confident | 4 Ų | 4 | 57 Ų | 57 | 2% | 0.021 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -100.6 | 0.1 | 175.5 | -56.1 | -178.9 | 0 | 0 | 0 | 112.7 | R131 L132 F504 F511 R512 P513 E517 M518 R519 L522 | R131-L515 HydrophobicContact CB-CD2 4.03Å; L132-L515 HydrophobicContact CD2-CD1 3.7Å; F504-L515 HydrophobicContact CB-CD1 3.62Å; F511-L515 HydrophobicContact CE1-CB 3.79Å; F511-L515 HydrophobicContact CZ-CB 4.26Å; R512-L515 HydrophobicContact CB-CB 4.42Å; R512-L515 HydrophobicContact CB-CD1 4.01Å; R512-L515 HydrophobicContact CB-CG 4.09Å; R512-L515 PolarHBondContact O-N 2.87Å; P513-L515 PolarHBondContact O-N 3.45Å; P513-L515 VanDerWaalsContact O-N 3.17Å; L515-E517 PolarHBondContact O-N 3.12Å; L515-M518 HydrophobicContact CB-CG 4.27Å; L515-M518 HydrophobicContact CD2-SD 3.92Å; L515-M518 WeakPolarHBondContact O-CG 3.42Å; L515-M518 PolarHBondContact O-N 3.25Å; L515-M518 VanDerWaalsContact O-N 3.1Å; L515-R519 PolarHBondContact O-N 3.4Å; L515-L522 HydrophobicContact CB-CD1 3.96Å; L515-L522 HydrophobicContact CD1-CD1 4.18Å |
| 516 | W | 89.1 | Confident | 86.9 | Confident | 66 Ų | 66 | 56.5 Ų | 56.5 | 25% | 0.25 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -59.3 | -42.6 | -167.6 | -177.1 | -106.4 | 0 | 0 | 0 | 113.1 | F511 P513 M518 R519 L547 P549 | F511-W516 HydrophobicContact CB-CZ3 4.49Å; F511-W516 AromaticContact CD1-CE3 3.81Å; F511-W516 HydrophobicContact CD1-CE3 3.81Å; F511-W516 HydrophobicContact CD1-CZ3 4.42Å; F511-W516 HydrophobicContact CE1-CE3 4.35Å; F511-W516 HydrophobicContact CG-CE3 4.34Å; P513-W516 WeakPolarHBondContact O-CB 3.49Å; P513-W516 PolarHBondContact O-N 3.34Å; W516-M518 VanDerWaalsContact C-N 3.26Å; W516-M518 PolarHBondContact O-N 3.01Å; W516-R519 VanDerWaalsContact O-CB 3.26Å; W516-R519 WeakPolarHBondContact O-CB 3.48Å; W516-R519 WeakPolarHBondContact O-CD 3.34Å; W516-R519 WeakPolarHBondContact O-CG 3.4Å; W516-R519 PolarHBondContact O-N 2.89Å; W516-R519 VanDerWaalsContact O-N 3.17Å; W516-R519 PolarHBondContact O-NH1 3.19Å; W516-L547 HydrophobicContact CH2-CD2 4.37Å; W516-L547 WeakPolarHBondContact CH2-O 3.21Å; W516-L547 HydrophobicContact CZ3-CB 4.47Å; W516-L547 HydrophobicContact CZ3-CD2 3.84Å; W516-L547 HydrophobicContact CZ3-CG 4.05Å; W516-P549 HydrophobicContact CD2-CB 4.23Å; W516-P549 HydrophobicContact CD2-CG 4.46Å; W516-P549 HydrophobicContact CE3-CB 3.88Å; W516-P549 HydrophobicContact CE3-CG 4.29Å; W516-P549 HydrophobicContact CH2-CG 4.47Å; W516-P549 HydrophobicContact CZ3-CB 4.22Å; W516-P549 HydrophobicContact CZ3-CG 4.3Å |
| 517 | E | 86.4 | Confident | 87.1 | Confident | 161 Ų | 161 | 56 Ų | 56 | 75% | 0.752 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | -61.6 | -33.7 | 178.9 | -65.3 | -48.3 | 123.6 | 0 | 0 | 113 | L515 | L515-E517 PolarHBondContact O-N 3.12Š|
| 518 | M | 85.4 | Confident | 87.3 | Confident | 25 Ų | 25 | 50.4 Ų | 50.4 | 12% | 0.123 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -93.4 | 7.9 | 179.9 | 63.3 | -179 | -61.6 | 0 | 0 | 114.1 | N58 R131 L515 W516 N520 S521 L522 | N58-M518 WeakPolarHBondContact O-CE 3.18Å; R131-M518 PolarHBondContact NH1-SD 3.05Å; R131-M518 VanDerWaalsContact NH1-SD 3.39Å; L515-M518 HydrophobicContact CB-CG 4.27Å; L515-M518 HydrophobicContact CD2-SD 3.92Å; L515-M518 WeakPolarHBondContact O-CG 3.42Å; L515-M518 PolarHBondContact O-N 3.25Å; L515-M518 VanDerWaalsContact O-N 3.1Å; W516-M518 VanDerWaalsContact C-N 3.26Å; W516-M518 PolarHBondContact O-N 3.01Å; M518-N520 VanDerWaalsContact C-N 3.28Å; M518-N520 PolarHBondContact O-N 2.8Å; M518-N520 VanDerWaalsContact O-N 3.15Å; M518-S521 WeakPolarHBondContact O-CB 3.45Å; M518-S521 PolarHBondContact O-N 2.69Å; M518-L522 HydrophobicContact CE-CD1 4.19Å; M518-L522 HydrophobicContact CE-CD2 4.09Å; M518-L522 HydrophobicContact CE-CG 4.16Å; M518-L522 HydrophobicContact CG-CD1 3.87Å; M518-L522 HydrophobicContact CG-CG 4.46Å; M518-L522 PolarHBondContact O-N 3.46Å; M518-L522 HydrophobicContact SD-CD1 4.38Å |
| 519 | R | 89.3 | Confident | 87.4 | Confident | 65 Ų | 65 | 50.4 Ų | 50.4 | 25% | 0.245 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -48.4 | -45.3 | -176.8 | 67.6 | -164.8 | 175.1 | -81.7 | 1.1 | 113.4 | F511 L515 W516 S521 L522 I523 L547 | F511-R519 HydrophobicContact CE1-CB 4.06Å; F511-R519 HydrophobicContact CE2-CB 4.27Å; F511-R519 HydrophobicContact CZ-CB 3.67Å; L515-R519 PolarHBondContact O-N 3.4Å; W516-R519 VanDerWaalsContact O-CB 3.26Å; W516-R519 WeakPolarHBondContact O-CB 3.48Å; W516-R519 WeakPolarHBondContact O-CD 3.34Å; W516-R519 WeakPolarHBondContact O-CG 3.4Å; W516-R519 PolarHBondContact O-N 2.89Å; W516-R519 VanDerWaalsContact O-N 3.17Å; W516-R519 PolarHBondContact O-NH1 3.19Å; R519-S521 PolarHBondContact O-N 2.99Å; R519-S521 VanDerWaalsContact O-N 3.09Å; R519-L522 WeakPolarHBondContact O-CA 3.49Å; R519-L522 WeakPolarHBondContact O-CB 3.36Å; R519-L522 PolarHBondContact O-N 3.35Å; R519-I523 WeakPolarHBondContact O-CG1 3.25Å; R519-I523 PolarHBondContact O-N 3.32Å; R519-I523 VanDerWaalsContact O-N 3.07Å; R519-L547 HydrophobicContact CB-CD2 3.88Å; R519-L547 HydrophobicContact CG-CD2 4.26Å |
| 520 | N | 87.7 | Confident | 87.5 | Confident | 124 Ų | 124 | 49.1 Ų | 49.1 | 66% | 0.663 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -64.4 | -17.6 | -178.5 | -64.9 | -11.1 | 0 | 0 | 0 | 113.8 | M518 | M518-N520 VanDerWaalsContact C-N 3.28Å; M518-N520 PolarHBondContact O-N 2.8Å; M518-N520 VanDerWaalsContact O-N 3.15Å |
| 521 | S | 85.1 | Confident | 87.6 | Confident | 36 Ų | 36 | 44.3 Ų | 44.3 | 25% | 0.252 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -89.5 | -14 | 171.9 | -63 | 0 | 0 | 0 | 0 | 113.3 | M518 R519 | M518-S521 WeakPolarHBondContact O-CB 3.45Å; M518-S521 PolarHBondContact O-N 2.69Å; R519-S521 PolarHBondContact O-N 2.99Å; R519-S521 VanDerWaalsContact O-N 3.09Å |
| 522 | L | 87.4 | Confident | 87.5 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -101.7 | -27.3 | -174.6 | -67.9 | 174.9 | 0 | 0 | 0 | 113.5 | I59 L132 K485 F504 F511 L515 M518 R519 | I59-L522 HydrophobicContact CD1-CD2 3.91Å; I59-L522 HydrophobicContact CG1-CD2 3.53Å; L132-L522 HydrophobicContact CD2-CD2 4.22Å; K485-L522 WeakPolarHBondContact CB-O 3.38Å; K485-L522 PolarHBondContact N-O 2.97Å; F504-L522 HydrophobicContact CB-CD1 4.08Å; F504-L522 HydrophobicContact CD1-CB 4.04Å; F504-L522 HydrophobicContact CD1-CD2 4.5Å; F504-L522 HydrophobicContact CE1-CB 4.26Å; F504-L522 WeakPolarHBondContact CE1-O 3.11Å; F504-L522 HydrophobicContact CG-CB 4.42Å; F504-L522 HydrophobicContact CG-CD1 4.48Å; F511-L522 HydrophobicContact CZ-CD1 3.98Å; L515-L522 HydrophobicContact CB-CD1 3.96Å; L515-L522 HydrophobicContact CD1-CD1 4.18Å; M518-L522 HydrophobicContact CE-CD1 4.19Å; M518-L522 HydrophobicContact CE-CD2 4.09Å; M518-L522 HydrophobicContact CE-CG 4.16Å; M518-L522 HydrophobicContact CG-CD1 3.87Å; M518-L522 HydrophobicContact CG-CG 4.46Å; M518-L522 PolarHBondContact O-N 3.46Å; M518-L522 HydrophobicContact SD-CD1 4.38Å; R519-L522 WeakPolarHBondContact O-CA 3.49Å; R519-L522 WeakPolarHBondContact O-CB 3.36Å; R519-L522 PolarHBondContact O-N 3.35Å |
| 523 | I | 88.4 | Confident | 87.4 | Confident | 16 Ų | 16 | 51.1 Ų | 51.1 | 8% | 0.082 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 152.5 | -177.3 | 47.8 | 146.5 | 0 | 0 | 0 | 112.8 | Y482 V483 F504 R519 L547 | Y482-I523 HydrophobicContact CD1-CB 4.31Å; Y482-I523 HydrophobicContact CD1-CD1 3.32Å; Y482-I523 HydrophobicContact CD1-CG1 4.39Å; Y482-I523 HydrophobicContact CE1-CD1 3.45Å; Y482-I523 VanDerWaalsContact CE1-CD1 3.45Å; Y482-I523 HydrophobicContact CG-CD1 4.27Å; V483-I523 CarbonylContact O-C 3.57Å; V483-I523 WeakPolarHBondContact O-CA 3.37Å; F504-I523 HydrophobicContact CD2-CG2 4.49Å; F504-I523 HydrophobicContact CE1-CG2 4.44Å; F504-I523 HydrophobicContact CE2-CG2 3.48Å; F504-I523 VanDerWaalsContact CE2-CG2 3.48Å; F504-I523 HydrophobicContact CZ-CG2 3.47Å; F504-I523 VanDerWaalsContact CZ-CG2 3.47Å; R519-I523 WeakPolarHBondContact O-CG1 3.25Å; R519-I523 PolarHBondContact O-N 3.32Å; R519-I523 VanDerWaalsContact O-N 3.07Å; I523-L547 HydrophobicContact CD1-CD2 3.94Å; I523-L547 HydrophobicContact CG2-CD1 4.41Å |
| 524 | L | 87.5 | Confident | 87.4 | Confident | 47 Ų | 47 | 51 Ų | 51 | 25% | 0.246 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 161.2 | 163.4 | -66.4 | 173.9 | 0 | 0 | 0 | 109.1 | M1 Y482 V483 K485 V488 | M1-L524 HydrophobicContact CE-CD1 3.7Å; M1-L524 HydrophobicContact CE-CD2 4.42Å; Y482-L524 WeakPolarHBondContact CA-O 3.15Å; V483-L524 HydrophobicContact CG1-CB 4.12Å; V483-L524 PolarHBondContact N-O 2.84Å; V483-L524 PolarHBondContact O-N 3.35Å; K485-L524 HydrophobicContact CB-CD1 4.34Å; K485-L524 HydrophobicContact CB-CG 4.03Å; K485-L524 HydrophobicContact CG-CD1 3.96Å; K485-L524 HydrophobicContact CG-CD2 4.42Å; K485-L524 HydrophobicContact CG-CG 3.96Å; V488-L524 HydrophobicContact CB-CD1 4.06Å; V488-L524 HydrophobicContact CG1-CD1 3.88Å; V488-L524 HydrophobicContact CG2-CD1 4.23Å |
| 525 | T | 87.1 | Confident | 87.7 | Confident | 75 Ų | 75 | 50.4 Ų | 50.4 | 46% | 0.46 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 130.8 | 172.3 | 54.3 | 0 | 0 | 0 | 0 | 110.9 | C481 Y482 | C481-T525 CarbonylContact O-C 3.57Å; C481-T525 WeakPolarHBondContact O-CA 3.37Å; Y482-T525 HydrophobicContact CD1-CG2 3.78Å; Y482-T525 HydrophobicContact CE1-CG2 3.58Å |
| 526 | V | 84.7 | Confident | 87.8 | Confident | 19 Ų | 19 | 58.8 Ų | 58.8 | 12% | 0.115 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 153 | 174.9 | -67.3 | 0 | 0 | 0 | 0 | 111.1 | M480 C481 V483 W531 | M480-V526 WeakPolarHBondContact CA-O 3.13Å; C481-V526 PolarHBondContact N-O 2.91Å; C481-V526 PolarHBondContact O-N 2.78Å; V483-V526 HydrophobicContact CB-CG2 4.18Å; V483-V526 HydrophobicContact CG1-CB 4.46Å; V483-V526 HydrophobicContact CG1-CG1 3.77Å; V483-V526 HydrophobicContact CG1-CG2 3.87Å; V526-W531 HydrophobicContact CG2-CB 4.1Å |
| 527 | P | 87.6 | Confident | 87.8 | Confident | 11 Ų | 11 | 60.6 Ų | 60.6 | 7% | 0.071 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.6 | 140 | 171.4 | -29.1 | 37.7 | 0 | 0 | 0 | 113.2 | P476 M480 N529 I530 W531 | P476-P527 HydrophobicContact CB-CG 3.99Å; M480-P527 HydrophobicContact SD-CB 4.48Å; M480-P527 HydrophobicContact SD-CG 3.97Å; P527-N529 VanDerWaalsContact C-N 3.32Å; P527-N529 WeakPolarHBondContact CB-OD1 3.46Å; P527-N529 PolarHBondContact O-N 2.86Å; P527-I530 HydrophobicContact CB-CB 4.38Å; P527-I530 HydrophobicContact CB-CD1 4.19Å; P527-I530 HydrophobicContact CB-CG1 4.36Å; P527-I530 HydrophobicContact CG-CD1 4.04Å; P527-I530 WeakPolarHBondContact O-CB 3.38Å; P527-I530 PolarHBondContact O-N 3.43Å; P527-I530 VanDerWaalsContact O-N 3.1Å; P527-W531 PolarHBondContact O-N 2.86Å |
| 528 | E | 89.3 | Confident | 88 | Confident | 65 Ų | 65 | 55 Ų | 55 | 30% | 0.304 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -58.6 | -38.5 | -176.3 | 178.8 | 168.5 | 179.4 | 0 | 0 | 113.7 | K479 I530 W531 C532 I543 H545 | K479-E528 WeakPolarHBondContact CB-OE2 3.23Å; K479-E528 WeakPolarHBondContact CD-OE2 3.44Å; K479-E528 WeakPolarHBondContact O-CB 3.47Å; K479-E528 PolarHBondContact O-N 2.92Å; E528-I530 VanDerWaalsContact C-N 3.33Å; E528-I530 PolarHBondContact O-N 2.88Å; E528-W531 PolarHBondContact O-N 2.88Å; E528-C532 WeakPolarHBondContact O-CB 3.44Å; E528-C532 PolarHBondContact O-N 3.34Å; E528-C532 PolarHBondContact O-SG 3.18Å; E528-I543 HydrophobicContact CG-CD1 3.84Å; E528-H545 IonicContact OE1-CE1 2.71Å; E528-H545 IonicContact OE2-CE1 3.45Å |
| 529 | N | 86.8 | Confident | 88.3 | Confident | 86 Ų | 86 | 55 Ų | 55 | 46% | 0.46 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.6 | -40.1 | 176.2 | 62.4 | -28.5 | 0 | 0 | 0 | 112.1 | P527 N533 | P527-N529 VanDerWaalsContact C-N 3.32Å; P527-N529 WeakPolarHBondContact CB-OD1 3.46Å; P527-N529 PolarHBondContact O-N 2.86Å; N529-N533 VanDerWaalsContact O-CG 3.25Å; N529-N533 PolarHBondContact O-N 2.86Å; N529-N533 VanDerWaalsContact O-N 3.15Å; N529-N533 PolarHBondContact O-ND2 3.17Å |
| 530 | I | 85.8 | Confident | 88.1 | Confident | 21 Ų | 21 | 53.8 Ų | 53.8 | 11% | 0.108 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -67.2 | -47 | 175.1 | -73 | 176.9 | 0 | 0 | 0 | 109.7 | L472 P527 E528 C532 N533 L534 | L472-I530 HydrophobicContact CD2-CD1 4.33Å; L472-I530 HydrophobicContact CD2-CG2 3.37Å; L472-I530 HydrophobicContact CG-CG2 3.83Å; P527-I530 HydrophobicContact CB-CB 4.38Å; P527-I530 HydrophobicContact CB-CD1 4.19Å; P527-I530 HydrophobicContact CB-CG1 4.36Å; P527-I530 HydrophobicContact CG-CD1 4.04Å; P527-I530 WeakPolarHBondContact O-CB 3.38Å; P527-I530 PolarHBondContact O-N 3.43Å; P527-I530 VanDerWaalsContact O-N 3.1Å; E528-I530 VanDerWaalsContact C-N 3.33Å; E528-I530 PolarHBondContact O-N 2.88Å; I530-C532 VanDerWaalsContact C-N 3.33Å; I530-C532 PolarHBondContact O-N 2.84Å; I530-N533 PolarHBondContact O-N 3.41Å; I530-L534 HydrophobicContact CG2-CD1 3.96Å; I530-L534 WeakPolarHBondContact O-CG 3.19Å; I530-L534 PolarHBondContact O-N 3.3Å |
| 531 | W | 89 | Confident | 87.7 | Confident | 9 Ų | 9 | 49.6 Ų | 49.6 | 3% | 0.034 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -55.1 | -48.4 | 176.6 | -169.5 | 102.4 | 0 | 0 | 0 | 111.5 | C481 Y482 M500 V526 P527 E528 N533 L534 H535 H541 I543 | C481-W531 HydrophobicContact CB-CG 4.42Å; Y482-W531 PolarHBondContact O-NE1 2.76Å; M500-W531 HydrophobicContact CE-CD2 4.34Å; M500-W531 HydrophobicContact CE-CG 4.31Å; M500-W531 HydrophobicContact CE-CZ2 4.33Å; V526-W531 HydrophobicContact CG2-CB 4.1Å; P527-W531 PolarHBondContact O-N 2.86Å; E528-W531 PolarHBondContact O-N 2.88Å; W531-N533 VanDerWaalsContact C-N 3.33Å; W531-N533 PolarHBondContact O-N 3.49Å; W531-L534 PolarHBondContact O-N 3.19Å; W531-H535 HydrophobicContact CE3-CB 3.9Å; W531-H535 HydrophobicContact CH2-CB 3.73Å; W531-H535 AromaticContact CH2-CD2 3.29Å; W531-H535 WeakPolarHBondContact CH2-CD2 3.32Å; W531-H535 AromaticContact CH2-CG 3.53Å; W531-H535 AromaticContact CH2-NE2 3.99Å; W531-H535 HydrophobicContact CZ2-CB 4.39Å; W531-H535 AromaticContact CZ2-CD2 3.96Å; W531-H535 HydrophobicContact CZ3-CB 3.45Å; W531-H535 VanDerWaalsContact CZ3-CB 3.45Å; W531-H535 AromaticContact CZ3-CD2 3.89Å; W531-H535 AromaticContact CZ3-CG 3.6Å; W531-H535 WeakPolarHBondContact O-CB 3.34Å; W531-H535 PolarHBondContact O-N 3.3Å; W531-H541 WeakPolarHBondContact CH2-O 3.31Å; W531-H541 AromaticContact CZ2-CE1 3.69Å; W531-H541 AromaticContact CZ2-ND1 3.87Å; W531-H541 AromaticContact NE1-CE1 3.89Å; W531-I543 HydrophobicContact CB-CD1 4.5Å; W531-I543 HydrophobicContact CD2-CB 4.21Å; W531-I543 HydrophobicContact CD2-CD1 3.82Å; W531-I543 HydrophobicContact CD2-CG1 3.69Å; W531-I543 HydrophobicContact CE3-CB 3.88Å; W531-I543 HydrophobicContact CE3-CD1 3.52Å; W531-I543 HydrophobicContact CE3-CG1 3.69Å; W531-I543 HydrophobicContact CG-CD1 4.22Å; W531-I543 HydrophobicContact CG-CG1 4.25Å; W531-I543 HydrophobicContact CH2-CB 3.72Å; W531-I543 HydrophobicContact CH2-CG1 4.3Å; W531-I543 HydrophobicContact CZ2-CB 4.01Å; W531-I543 HydrophobicContact CZ2-CG1 4.27Å; W531-I543 HydrophobicContact CZ3-CB 3.64Å; W531-I543 HydrophobicContact CZ3-CD1 4.12Å; W531-I543 HydrophobicContact CZ3-CG1 4.01Å |
| 532 | C | 89.8 | Confident | 87.7 | Confident | 58 Ų | 58 | 56.2 Ų | 56.2 | 39% | 0.392 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.2 | -37.2 | 179.6 | -68.1 | 0 | 0 | 0 | 0 | 112.9 | E528 I530 K536 | E528-C532 WeakPolarHBondContact O-CB 3.44Å; E528-C532 PolarHBondContact O-N 3.34Å; E528-C532 PolarHBondContact O-SG 3.18Å; I530-C532 VanDerWaalsContact C-N 3.33Å; I530-C532 PolarHBondContact O-N 2.84Å; C532-K536 VanDerWaalsContact O-CB 3.3Å; C532-K536 WeakPolarHBondContact O-CB 3.47Å; C532-K536 PolarHBondContact O-N 2.82Å |
| 533 | N | 87.3 | Confident | 87.7 | Confident | 103 Ų | 103 | 58.7 Ų | 58.7 | 55% | 0.551 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -65.9 | -41.9 | 175.3 | -73.8 | -25.2 | 0 | 0 | 0 | 111.7 | N529 I530 W531 M537 | N529-N533 VanDerWaalsContact O-CG 3.25Å; N529-N533 PolarHBondContact O-N 2.86Å; N529-N533 VanDerWaalsContact O-N 3.15Å; N529-N533 PolarHBondContact O-ND2 3.17Å; I530-N533 PolarHBondContact O-N 3.41Å; W531-N533 VanDerWaalsContact C-N 3.33Å; W531-N533 PolarHBondContact O-N 3.49Å; N533-M537 WeakPolarHBondContact O-CG 3.38Å; N533-M537 PolarHBondContact O-N 3.2Å |
| 534 | L | 88.9 | Confident | 87.6 | Confident | 7 Ų | 7 | 58.9 Ų | 58.9 | 4% | 0.037 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67.5 | -45.8 | 177.1 | -65.2 | 171.2 | 0 | 0 | 0 | 111.5 | I468 L472 W487 F491 M500 I530 W531 K536 M537 F538 | I468-L534 HydrophobicContact CG2-CD2 4.36Å; L472-L534 HydrophobicContact CD1-CD1 4.31Å; L472-L534 HydrophobicContact CD1-CD2 4.2Å; W487-L534 HydrophobicContact CH2-CB 4.15Å; W487-L534 HydrophobicContact CH2-CD1 4.2Å; W487-L534 HydrophobicContact CH2-CD2 4.23Å; W487-L534 HydrophobicContact CH2-CG 4.42Å; W487-L534 HydrophobicContact CZ3-CD1 4.07Å; F491-L534 HydrophobicContact CD2-CD2 4.19Å; F491-L534 HydrophobicContact CE2-CD2 3.69Å; F491-L534 HydrophobicContact CZ-CD2 4.05Å; M500-L534 HydrophobicContact CE-CB 4.38Å; M500-L534 HydrophobicContact SD-CB 3.87Å; I530-L534 HydrophobicContact CG2-CD1 3.96Å; I530-L534 WeakPolarHBondContact O-CG 3.19Å; I530-L534 PolarHBondContact O-N 3.3Å; W531-L534 PolarHBondContact O-N 3.19Å; L534-K536 VanDerWaalsContact C-N 3.32Å; L534-K536 PolarHBondContact O-N 3.02Å; L534-M537 PolarHBondContact O-N 3.05Å; L534-F538 HydrophobicContact CB-CD2 4.47Å; L534-F538 HydrophobicContact CD2-CD2 4.38Å; L534-F538 HydrophobicContact CD2-CE2 3.97Å; L534-F538 WeakPolarHBondContact O-CD2 3.34Å; L534-F538 PolarHBondContact O-N 2.67Å |
| 535 | H | 90.4 | Very high | 87.5 | Confident | 61 Ų | 61 | 60.1 Ų | 60.1 | 28% | 0.282 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.4 | -41.1 | 177.6 | -174.9 | -91.7 | 0 | 0 | 0 | 112 | M500 W531 M537 G539 G540 H541 | M500-H535 HydrophobicContact SD-CB 4.02Å; M500-H535 PolarHBondContact SD-N 3.27Å; W531-H535 HydrophobicContact CE3-CB 3.9Å; W531-H535 HydrophobicContact CH2-CB 3.73Å; W531-H535 AromaticContact CH2-CD2 3.29Å; W531-H535 WeakPolarHBondContact CH2-CD2 3.32Å; W531-H535 AromaticContact CH2-CG 3.53Å; W531-H535 AromaticContact CH2-NE2 3.99Å; W531-H535 HydrophobicContact CZ2-CB 4.39Å; W531-H535 AromaticContact CZ2-CD2 3.96Å; W531-H535 HydrophobicContact CZ3-CB 3.45Å; W531-H535 VanDerWaalsContact CZ3-CB 3.45Å; W531-H535 AromaticContact CZ3-CD2 3.89Å; W531-H535 AromaticContact CZ3-CG 3.6Å; W531-H535 WeakPolarHBondContact O-CB 3.34Å; W531-H535 PolarHBondContact O-N 3.3Å; H535-M537 PolarHBondContact O-N 2.88Å; H535-G539 WeakPolarHBondContact O-CA 3.5Å; H535-G539 PolarHBondContact O-N 2.87Å; H535-G540 PolarHBondContact NE2-O 3.31Å; H535-H541 PolarHBondContact CD2-O 3.37Å; H535-H541 PolarHBondContact NE2-O 3.45Å; H535-H541 VanDerWaalsContact NE2-O 3.07Å |
| 536 | K | 90.8 | Very high | 87.5 | Confident | 180 Ų | 180 | 63.4 Ų | 63.4 | 78% | 0.783 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -59.9 | -28.4 | 173.7 | -178 | 177.7 | 177.1 | -177.3 | 0 | 113.6 | C532 L534 | C532-K536 VanDerWaalsContact O-CB 3.3Å; C532-K536 WeakPolarHBondContact O-CB 3.47Å; C532-K536 PolarHBondContact O-N 2.82Å; L534-K536 VanDerWaalsContact C-N 3.32Å; L534-K536 PolarHBondContact O-N 3.02Å |
| 537 | M | 88.9 | Confident | 87.8 | Confident | 103 Ų | 103 | 63.5 Ų | 63.5 | 51% | 0.507 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -92 | -40.1 | -177.6 | -74.3 | -170.3 | 56.6 | 0 | 0 | 114 | L465 I468 N533 L534 H535 | L465-M537 HydrophobicContact CD2-CE 4.26Å; I468-M537 HydrophobicContact CD1-CE 3.39Å; I468-M537 HydrophobicContact CD1-SD 3.55Å; I468-M537 VanDerWaalsContact CD1-SD 3.55Å; N533-M537 WeakPolarHBondContact O-CG 3.38Å; N533-M537 PolarHBondContact O-N 3.2Å; L534-M537 PolarHBondContact O-N 3.05Å; H535-M537 PolarHBondContact O-N 2.88Å |
| 538 | F | 90.5 | Very high | 87.9 | Confident | 43 Ų | 43 | 66.5 Ų | 66.5 | 19% | 0.189 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -107.5 | -20.6 | -172.5 | -61.5 | -73.2 | 0 | 0 | 0 | 113.2 | L465 W487 F491 P497 P499 M500 L534 | L465-F538 HydrophobicContact CD1-CZ 4.3Å; L465-F538 HydrophobicContact CD2-CE1 4.35Å; L465-F538 HydrophobicContact CD2-CZ 3.65Å; W487-F538 AromaticContact CH2-CD2 3.87Å; W487-F538 HydrophobicContact CH2-CD2 3.87Å; W487-F538 HydrophobicContact CH2-CE2 4.18Å; W487-F538 HydrophobicContact CZ2-CB 4.12Å; W487-F538 HydrophobicContact CZ2-CD1 4.5Å; W487-F538 AromaticContact CZ2-CD2 3.6Å; W487-F538 HydrophobicContact CZ2-CD2 3.6Å; W487-F538 HydrophobicContact CZ2-CE2 4.11Å; W487-F538 AromaticContact CZ2-CG 3.82Å; W487-F538 HydrophobicContact CZ2-CG 3.82Å; F491-F538 AromaticContact CD2-CE2 3.8Å; F491-F538 HydrophobicContact CD2-CE2 3.8Å; F491-F538 AromaticContact CD2-CZ 3.91Å; F491-F538 HydrophobicContact CD2-CZ 3.91Å; F491-F538 AromaticContact CE2-CE2 3.78Å; F491-F538 HydrophobicContact CE2-CE2 3.78Å; F491-F538 AromaticContact CE2-CZ 3.95Å; F491-F538 HydrophobicContact CE2-CZ 3.95Å; P497-F538 HydrophobicContact CG-CD1 4.07Å; P497-F538 HydrophobicContact CG-CE1 3.52Å; P497-F538 HydrophobicContact CG-CZ 3.93Å; P499-F538 VanDerWaalsContact CA-O 3.28Å; P499-F538 WeakPolarHBondContact CA-O 3.43Å; P499-F538 WeakPolarHBondContact CB-O 3.41Å; M500-F538 HydrophobicContact CG-CB 4.48Å; L534-F538 HydrophobicContact CB-CD2 4.47Å; L534-F538 HydrophobicContact CD2-CD2 4.38Å; L534-F538 HydrophobicContact CD2-CE2 3.97Å; L534-F538 WeakPolarHBondContact O-CD2 3.34Å; L534-F538 PolarHBondContact O-N 2.67Å |
| 539 | G | 91.3 | Very high | 88.1 | Confident | 26 Ų | 26 | 65.9 Ų | 65.9 | 27% | 0.268 | 34% | 0.344 | S | S | . | . | trans | 66 | -173 | -165.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | M500 H535 | M500-G539 WeakPolarHBondContact CB-O 3.09Å; M500-G539 PolarHBondContact N-O 2.94Å; H535-G539 WeakPolarHBondContact O-CA 3.5Å; H535-G539 PolarHBondContact O-N 2.87Å | ||
| 540 | G | 85.4 | Confident | 88.4 | Confident | 40 Ų | 40 | 61.9 Ų | 61.9 | 41% | 0.412 | 32% | 0.322 | S | S | . | . | B | Isolated β-bridge | trans | 137.6 | -159.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | M500 H535 | M500-G540 WeakPolarHBondContact O-CA 3.49Å; H535-G540 PolarHBondContact NE2-O 3.31Å |
| 541 | H | 80.8 | Confident | 88.8 | Confident | 35 Ų | 35 | 64.4 Ų | 64.4 | 16% | 0.162 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -62.1 | 165.4 | 176.9 | 62.4 | 83.5 | 0 | 0 | 0 | 113.1 | M500 S502 W531 H535 I544 | M500-H541 PolarHBondContact O-CD2 3.46Å; M500-H541 VanDerWaalsContact O-CD2 3.23Å; S502-H541 PolarHBondContact OG-CD2 2.81Å; S502-H541 VanDerWaalsContact OG-CG 3.32Å; S502-H541 PolarHBondContact OG-NE2 2.65Å; W531-H541 WeakPolarHBondContact CH2-O 3.31Å; W531-H541 AromaticContact CZ2-CE1 3.69Å; W531-H541 AromaticContact CZ2-ND1 3.87Å; W531-H541 AromaticContact NE1-CE1 3.89Å; H535-H541 PolarHBondContact CD2-O 3.37Å; H535-H541 PolarHBondContact NE2-O 3.45Å; H535-H541 VanDerWaalsContact NE2-O 3.07Å; H541-I544 WeakPolarHBondContact CE1-CD1 3.32Å; H541-I544 WeakPolarHBondContact ND1-CD1 3.38Å |
| 542 | E | 84.8 | Confident | 88.9 | Confident | 175 Ų | 175 | 67.6 Ų | 67.6 | 82% | 0.818 | 36% | 0.359 | S | S | * | . | P | Polyproline II helix | trans | -71 | 162.1 | 171.8 | -62.7 | -171.9 | 171.6 | 0 | 0 | 112 | I544 | E542-I544 PolarHBondContact O-N 2.9Š|
| 543 | I | 87.6 | Confident | 89 | Confident | 53 Ų | 53 | 66.4 Ų | 66.4 | 27% | 0.272 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -68.1 | 128 | -173.7 | -164.3 | 165.7 | 0 | 0 | 0 | 112 | C481 E528 W531 | C481-I543 HydrophobicContact CB-CD1 4.18Å; C481-I543 HydrophobicContact CB-CG1 4.03Å; C481-I543 VanDerWaalsContact SG-CD1 3.57Å; E528-I543 HydrophobicContact CG-CD1 3.84Å; W531-I543 HydrophobicContact CB-CD1 4.5Å; W531-I543 HydrophobicContact CD2-CB 4.21Å; W531-I543 HydrophobicContact CD2-CD1 3.82Å; W531-I543 HydrophobicContact CD2-CG1 3.69Å; W531-I543 HydrophobicContact CE3-CB 3.88Å; W531-I543 HydrophobicContact CE3-CD1 3.52Å; W531-I543 HydrophobicContact CE3-CG1 3.69Å; W531-I543 HydrophobicContact CG-CD1 4.22Å; W531-I543 HydrophobicContact CG-CG1 4.25Å; W531-I543 HydrophobicContact CH2-CB 3.72Å; W531-I543 HydrophobicContact CH2-CG1 4.3Å; W531-I543 HydrophobicContact CZ2-CB 4.01Å; W531-I543 HydrophobicContact CZ2-CG1 4.27Å; W531-I543 HydrophobicContact CZ3-CB 3.64Å; W531-I543 HydrophobicContact CZ3-CD1 4.12Å; W531-I543 HydrophobicContact CZ3-CG1 4.01Å |
| 544 | I | 85.5 | Confident | 89.2 | Confident | 20 Ų | 20 | 63.6 Ų | 63.6 | 10% | 0.103 | 34% | 0.34 | C | S | . | . | B | Isolated β-bridge | trans | -101.5 | 106.5 | 178 | -55 | 117.2 | 0 | 0 | 0 | 108.9 | Y482 F505 H541 E542 E546 L547 | Y482-I544 HydrophobicContact CD2-CG2 4.03Å; Y482-I544 PolarHBondContact N-O 2.65Å; F505-I544 HydrophobicContact CE1-CD1 4.13Å; F505-I544 HydrophobicContact CE1-CG1 3.97Å; F505-I544 HydrophobicContact CE1-CG2 4.49Å; F505-I544 HydrophobicContact CE2-CD1 3.6Å; F505-I544 HydrophobicContact CE2-CG1 4.34Å; F505-I544 HydrophobicContact CZ-CB 4.4Å; F505-I544 HydrophobicContact CZ-CD1 3.32Å; F505-I544 HydrophobicContact CZ-CG1 3.58Å; F505-I544 HydrophobicContact CZ-CG2 4.22Å; H541-I544 WeakPolarHBondContact CE1-CD1 3.32Å; H541-I544 WeakPolarHBondContact ND1-CD1 3.38Å; E542-I544 PolarHBondContact O-N 2.9Å; I544-E546 WeakPolarHBondContact CG2-O 3.42Å; I544-L547 HydrophobicContact CG2-CD1 4.32Å |
| 545 | H | 85.4 | Confident | 89.4 | Confident | 73 Ų | 73 | 67 Ų | 67 | 34% | 0.338 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -87.4 | -28 | 171.2 | -63.5 | -52.7 | 0 | 0 | 0 | 112.9 | K479 C481 E528 | K479-H545 WeakPolarHBondContact CE-ND1 3.39Å; K479-H545 PolarHBondContact NZ-CD2 2.85Å; K479-H545 PolarHBondContact NZ-CE1 3.04Å; K479-H545 PolarHBondContact NZ-ND1 3.04Å; K479-H545 PolarHBondContact NZ-NE2 2.91Å; C481-H545 VanDerWaalsContact SG-CE1 3.52Å; C481-H545 PolarHBondContact SG-ND1 2.83Å; E528-H545 IonicContact OE1-CE1 2.71Å; E528-H545 IonicContact OE2-CE1 3.45Å |
| 546 | E | 88.1 | Confident | 89.4 | Confident | 144 Ų | 144 | 66.4 Ų | 66.4 | 67% | 0.673 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -135 | 133.6 | -176.3 | -172.2 | 171.8 | -168.4 | 0 | 0 | 109 | I544 I548 | I544-E546 WeakPolarHBondContact CG2-O 3.42Å; E546-I548 HydrophobicContact CB-CG1 4.48Å; E546-I548 HydrophobicContact CG-CD1 4.21Å; E546-I548 HydrophobicContact CG-CG1 3.9Å |
| 547 | L | 89.2 | Confident | 89.3 | Confident | 21 Ų | 21 | 59.2 Ų | 59.2 | 11% | 0.11 | 33% | 0.333 | C | S | . | . | trans | -94.1 | 113.5 | -179.7 | -155.8 | 81.7 | 0 | 0 | 0 | 108.6 | Y482 F505 F511 W516 R519 I523 I544 | Y482-L547 HydrophobicContact CD2-CB 4.46Å; Y482-L547 HydrophobicContact CE2-CB 4.2Å; Y482-L547 HydrophobicContact CG-CD1 4.5Å; F505-L547 HydrophobicContact CZ-CD1 4.16Å; F511-L547 HydrophobicContact CB-CG 4.35Å; F511-L547 HydrophobicContact CD2-CD1 3.61Å; F511-L547 HydrophobicContact CD2-CD2 3.92Å; F511-L547 HydrophobicContact CD2-CG 3.87Å; F511-L547 HydrophobicContact CE2-CD1 4.17Å; F511-L547 HydrophobicContact CE2-CD2 4.04Å; F511-L547 HydrophobicContact CE2-CG 4.45Å; F511-L547 HydrophobicContact CG-CD1 4.39Å; F511-L547 HydrophobicContact CG-CD2 4.33Å; F511-L547 HydrophobicContact CG-CG 4.23Å; W516-L547 HydrophobicContact CH2-CD2 4.37Å; W516-L547 WeakPolarHBondContact CH2-O 3.21Å; W516-L547 HydrophobicContact CZ3-CB 4.47Å; W516-L547 HydrophobicContact CZ3-CD2 3.84Å; W516-L547 HydrophobicContact CZ3-CG 4.05Å; R519-L547 HydrophobicContact CB-CD2 3.88Å; R519-L547 HydrophobicContact CG-CD2 4.26Å; I523-L547 HydrophobicContact CD1-CD2 3.94Å; I523-L547 HydrophobicContact CG2-CD1 4.41Å; I544-L547 HydrophobicContact CG2-CD1 4.32Å | ||
| 548 | I | 91 | Very high | 89.5 | Confident | 73 Ų | 73 | 56 Ų | 56 | 37% | 0.374 | 32% | 0.321 | S | S | . | . | trans | -124.4 | 129.6 | -175.9 | -53.6 | 177.7 | 0 | 0 | 0 | 108.4 | Y510 F511 E546 | Y510-I548 HydrophobicContact CD1-CB 4.25Å; Y510-I548 HydrophobicContact CD1-CG2 4.44Å; F511-I548 VanDerWaalsContact CB-O 3.29Å; F511-I548 WeakPolarHBondContact CB-O 3.42Å; F511-I548 PolarHBondContact N-O 3.24Å; E546-I548 HydrophobicContact CB-CG1 4.48Å; E546-I548 HydrophobicContact CG-CD1 4.21Å; E546-I548 HydrophobicContact CG-CG1 3.9Å | ||
| 549 | P | 92.4 | Very high | 89.6 | Confident | 53 Ų | 53 | 59.9 Ų | 59.9 | 34% | 0.344 | 34% | 0.338 | S | S | . | . | B | Isolated β-bridge | trans | -70.8 | 143.3 | 174.1 | 30.9 | -33 | 0 | 0 | 0 | 110.2 | F511 P513 W516 S551 | F511-P549 CarbonylContact O-C 3.49Å; F511-P549 WeakPolarHBondContact O-CA 3.45Å; P513-P549 HydrophobicContact CG-CB 4.49Å; W516-P549 HydrophobicContact CD2-CB 4.23Å; W516-P549 HydrophobicContact CD2-CG 4.46Å; W516-P549 HydrophobicContact CE3-CB 3.88Å; W516-P549 HydrophobicContact CE3-CG 4.29Å; W516-P549 HydrophobicContact CH2-CG 4.47Å; W516-P549 HydrophobicContact CZ3-CB 4.22Å; W516-P549 HydrophobicContact CZ3-CG 4.3Å; P549-S551 PolarHBondContact O-N 3.01Å |
| 550 | C | 93.3 | Very high | 89.6 | Confident | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.007 | 33% | 0.333 | C | S | . | . | trans | -69.2 | 113.1 | -178.1 | -172.3 | 0 | 0 | 0 | 0 | 112.4 | C506 H508 F511 P513 D552 C553 S554 | C506-C550 VanDerWaalsContact SG-CB 3.59Å; C506-C550 PolarHBondContact SG-SG 2.66Å; H508-C550 PolarHBondContact ND1-SG 2.81Å; H508-C550 VanDerWaalsContact ND1-SG 3.38Å; F511-C550 PolarHBondContact O-N 2.8Å; P513-C550 HydrophobicContact CG-CB 4.11Å; P513-C550 VanDerWaalsContact CG-O 3.23Å; P513-C550 WeakPolarHBondContact CG-O 3.42Å; C550-D552 VanDerWaalsContact C-N 3.34Å; C550-C553 HydrophobicContact CB-CB 3.95Å; C550-C553 PolarHBondContact SG-N 2.99Å; C550-C553 VanDerWaalsContact SG-N 3.4Å; C550-S554 WeakPolarHBondContact O-CB 3.36Å; C550-S554 PolarHBondContact O-N 2.97Å; C550-S554 VanDerWaalsContact O-N 3.13Å | ||
| 551 | S | 93.6 | Very high | 90 | Very high | 74 Ų | 74 | 59.7 Ų | 59.7 | 52% | 0.517 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -58.3 | -45.3 | 170.9 | 48.2 | 0 | 0 | 0 | 0 | 111.6 | P549 C553 S554 D555 | P549-S551 PolarHBondContact O-N 3.01Å; S551-C553 PolarHBondContact O-N 3.23Å; S551-S554 WeakPolarHBondContact O-CB 3.5Å; S551-S554 PolarHBondContact O-N 3.01Å; S551-S554 VanDerWaalsContact O-N 3.13Å; S551-D555 WeakPolarHBondContact O-CB 3.47Å; S551-D555 PolarHBondContact O-N 2.64Å |
| 552 | D | 92.6 | Very high | 90.5 | Very high | 76 Ų | 76 | 65.3 Ų | 65.3 | 41% | 0.406 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.2 | -41.5 | -174.9 | -52.6 | -52.4 | 0 | 0 | 0 | 112.3 | H508 C550 A556 | H508-D552 IonicContact CG-OD2 2.73Å; C550-D552 VanDerWaalsContact C-N 3.34Å; D552-A556 VanDerWaalsContact O-CB 3.26Å; D552-A556 WeakPolarHBondContact O-CB 3.41Å; D552-A556 PolarHBondContact O-N 3.2Å |
| 553 | C | 91.3 | Very high | 90.9 | Very high | 33 Ų | 33 | 59.7 Ų | 59.7 | 22% | 0.223 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67.2 | -40.3 | 173.8 | -64.5 | 0 | 0 | 0 | 0 | 112.3 | H508 P513 C550 S551 D555 A556 I557 | H508-C553 PolarHBondContact ND1-SG 2.97Å; H508-C553 VanDerWaalsContact ND1-SG 3.44Å; P513-C553 HydrophobicContact CG-CB 4.09Å; C550-C553 HydrophobicContact CB-CB 3.95Å; C550-C553 PolarHBondContact SG-N 2.99Å; C550-C553 VanDerWaalsContact SG-N 3.4Å; S551-C553 PolarHBondContact O-N 3.23Å; C553-D555 VanDerWaalsContact C-N 3.34Å; C553-A556 PolarHBondContact O-N 3.26Å; C553-I557 PolarHBondContact O-N 3.31Å |
| 554 | S | 91.8 | Very high | 91.1 | Very high | 44 Ų | 44 | 57.3 Ų | 57.3 | 31% | 0.308 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.1 | -41.7 | 176.8 | -170.7 | 0 | 0 | 0 | 0 | 111.5 | C550 S551 I557 S558 | C550-S554 WeakPolarHBondContact O-CB 3.36Å; C550-S554 PolarHBondContact O-N 2.97Å; C550-S554 VanDerWaalsContact O-N 3.13Å; S551-S554 WeakPolarHBondContact O-CB 3.5Å; S551-S554 PolarHBondContact O-N 3.01Å; S551-S554 VanDerWaalsContact O-N 3.13Å; S554-I557 WeakPolarHBondContact O-CG2 3.3Å; S554-S558 VanDerWaalsContact O-CB 3.22Å; S554-S558 WeakPolarHBondContact O-CB 3.07Å; S554-S558 PolarHBondContact O-N 3.17Å; S554-S558 PolarHBondContact O-OG 2.79Å |
| 555 | D | 92.5 | Very high | 91.4 | Very high | 79 Ų | 79 | 58.8 Ų | 58.8 | 42% | 0.422 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66.2 | -44.9 | 174.8 | -105.8 | 33.9 | 0 | 0 | 0 | 112 | S551 C553 S558 K559 | S551-D555 WeakPolarHBondContact O-CB 3.47Å; S551-D555 PolarHBondContact O-N 2.64Å; C553-D555 VanDerWaalsContact C-N 3.34Å; D555-S558 PolarHBondContact O-N 3.41Å; D555-K559 WeakPolarHBondContact O-CB 3.06Å; D555-K559 WeakPolarHBondContact O-CD 3.45Å; D555-K559 WeakPolarHBondContact O-CG 3.17Å; D555-K559 PolarHBondContact O-N 3.3Å; D555-K559 IonicContact OD2-NZ 3.24Å; D555-K559 PolarHBondContact OD2-NZ 3.04Å |
| 556 | A | 90.5 | Very high | 91.7 | Very high | 48 Ų | 48 | 58.2 Ų | 58.2 | 40% | 0.397 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.3 | -47.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | D552 C553 K559 R560 | D552-A556 VanDerWaalsContact O-CB 3.26Å; D552-A556 WeakPolarHBondContact O-CB 3.41Å; D552-A556 PolarHBondContact O-N 3.2Å; C553-A556 PolarHBondContact O-N 3.26Å; A556-K559 PolarHBondContact O-N 2.87Å; A556-R560 PolarHBondContact O-N 2.98Å |
| 557 | I | 89.7 | Confident | 91.8 | Very high | 29 Ų | 29 | 53.2 Ų | 53.2 | 15% | 0.149 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.1 | -41.4 | 177.5 | -151.1 | 64.8 | 0 | 0 | 0 | 111.2 | C553 S554 K559 R560 Q561 F595 W601 | C553-I557 PolarHBondContact O-N 3.31Å; S554-I557 WeakPolarHBondContact O-CG2 3.3Å; I557-K559 VanDerWaalsContact C-N 3.32Å; I557-K559 PolarHBondContact O-N 3.28Å; I557-R560 WeakPolarHBondContact O-CB 3.31Å; I557-R560 PolarHBondContact O-N 3.2Å; I557-R560 VanDerWaalsContact O-N 3.13Å; I557-Q561 HydrophobicContact CG1-CG 4.48Å; I557-Q561 VanDerWaalsContact O-CG 3.3Å; I557-Q561 WeakPolarHBondContact O-CG 3.46Å; I557-Q561 PolarHBondContact O-N 2.83Å; I557-F595 HydrophobicContact CD1-CE2 3.84Å; I557-F595 HydrophobicContact CD1-CZ 4.1Å; I557-F595 HydrophobicContact CG1-CE2 4.06Å; I557-W601 HydrophobicContact CB-CE3 4.34Å; I557-W601 HydrophobicContact CB-CZ3 4.28Å; I557-W601 HydrophobicContact CG1-CE3 4.45Å; I557-W601 HydrophobicContact CG2-CE3 3.65Å; I557-W601 HydrophobicContact CG2-CH2 4.06Å; I557-W601 HydrophobicContact CG2-CZ3 3.34Å |
| 558 | S | 91.7 | Very high | 91.7 | Very high | 37 Ų | 37 | 52.8 Ų | 52.8 | 26% | 0.259 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.5 | -38.1 | 179.6 | -64.6 | 0 | 0 | 0 | 0 | 112 | S554 D555 K562 | S554-S558 VanDerWaalsContact O-CB 3.22Å; S554-S558 WeakPolarHBondContact O-CB 3.07Å; S554-S558 PolarHBondContact O-N 3.17Å; S554-S558 PolarHBondContact O-OG 2.79Å; D555-S558 PolarHBondContact O-N 3.41Å; S558-K562 WeakPolarHBondContact O-CB 3.42Å; S558-K562 WeakPolarHBondContact O-CD 3.35Å; S558-K562 VanDerWaalsContact O-CG 3.23Å; S558-K562 WeakPolarHBondContact O-CG 3.49Å; S558-K562 PolarHBondContact O-N 2.99Å; S558-K562 VanDerWaalsContact O-N 3.15Å |
| 559 | K | 92.3 | Very high | 91.6 | Very high | 124 Ų | 124 | 53.1 Ų | 53.1 | 54% | 0.539 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.8 | -43.9 | 173.5 | -74.3 | 161.3 | -168.8 | 157.8 | 0 | 110.7 | D555 A556 I557 Y563 | D555-K559 WeakPolarHBondContact O-CB 3.06Å; D555-K559 WeakPolarHBondContact O-CD 3.45Å; D555-K559 WeakPolarHBondContact O-CG 3.17Å; D555-K559 PolarHBondContact O-N 3.3Å; D555-K559 IonicContact OD2-NZ 3.24Å; D555-K559 PolarHBondContact OD2-NZ 3.04Å; A556-K559 PolarHBondContact O-N 2.87Å; I557-K559 VanDerWaalsContact C-N 3.32Å; I557-K559 PolarHBondContact O-N 3.28Å; K559-Y563 VanDerWaalsContact O-CB 3.27Å; K559-Y563 WeakPolarHBondContact O-CB 3.4Å; K559-Y563 PolarHBondContact O-N 3.3Å |
| 560 | R | 92.3 | Very high | 91.4 | Very high | 44 Ų | 44 | 57 Ų | 57 | 17% | 0.166 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.3 | -50.7 | 176.7 | 179.7 | 176.6 | 171.9 | -171 | -1.8 | 112.5 | A556 I557 K562 Y563 E564 F595 | A556-R560 PolarHBondContact O-N 2.98Å; I557-R560 WeakPolarHBondContact O-CB 3.31Å; I557-R560 PolarHBondContact O-N 3.2Å; I557-R560 VanDerWaalsContact O-N 3.13Å; R560-K562 VanDerWaalsContact C-N 3.35Å; R560-K562 PolarHBondContact O-N 3.02Å; R560-Y563 PolarHBondContact O-N 2.89Å; R560-E564 HydrophobicContact CG-CG 4.48Å; R560-E564 IonicContact CZ-OE1 3.7Å; R560-E564 VanDerWaalsContact CZ-OE1 3.24Å; R560-E564 IonicContact NE-OE1 3.93Å; R560-E564 PolarHBondContact NE-OE1 3.1Å; R560-E564 IonicContact NH2-OE1 3.72Å; R560-E564 PolarHBondContact NH2-OE1 3.01Å; R560-E564 PolarHBondContact O-N 2.85Å; R560-F595 HydrophobicContact CG-CE1 4.46Å; R560-F595 HydrophobicContact CG-CZ 4.15Å |
| 561 | Q | 93 | Very high | 91.1 | Very high | 18 Ų | 18 | 57.6 Ų | 57.6 | 8% | 0.084 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58.2 | -46.1 | -179.9 | -70.2 | 167.4 | -25.6 | 0 | 0 | 111.4 | I557 L565 F595 I600 | I557-Q561 HydrophobicContact CG1-CG 4.48Å; I557-Q561 VanDerWaalsContact O-CG 3.3Å; I557-Q561 WeakPolarHBondContact O-CG 3.46Å; I557-Q561 PolarHBondContact O-N 2.83Å; Q561-L565 WeakPolarHBondContact O-CB 3.35Å; Q561-L565 PolarHBondContact O-N 3.46Å; Q561-L565 VanDerWaalsContact O-N 3.13Å; Q561-F595 VanDerWaalsContact CD-O 3.28Å; Q561-F595 HydrophobicContact CG-CD2 4.19Å; Q561-F595 HydrophobicContact CG-CE1 4.12Å; Q561-F595 HydrophobicContact CG-CE2 3.77Å; Q561-F595 HydrophobicContact CG-CZ 3.72Å; Q561-F595 VanDerWaalsContact CG-O 3.26Å; Q561-F595 WeakPolarHBondContact CG-O 3.23Å; Q561-F595 PolarHBondContact NE2-O 3.1Å; Q561-I600 PolarHBondContact NE2-O 3.4Å |
| 562 | K | 93 | Very high | 90.6 | Very high | 152 Ų | 152 | 56.6 Ų | 56.6 | 66% | 0.661 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -63.4 | -43.1 | 175 | -71.9 | 170.2 | -175.8 | 172.3 | 0 | 112.4 | S558 R560 S566 | S558-K562 WeakPolarHBondContact O-CB 3.42Å; S558-K562 WeakPolarHBondContact O-CD 3.35Å; S558-K562 VanDerWaalsContact O-CG 3.23Å; S558-K562 WeakPolarHBondContact O-CG 3.49Å; S558-K562 PolarHBondContact O-N 2.99Å; S558-K562 VanDerWaalsContact O-N 3.15Å; R560-K562 VanDerWaalsContact C-N 3.35Å; R560-K562 PolarHBondContact O-N 3.02Å; K562-S566 VanDerWaalsContact O-CB 3.27Å; K562-S566 WeakPolarHBondContact O-CB 3.45Å; K562-S566 PolarHBondContact O-N 2.88Å; K562-S566 PolarHBondContact O-OG 2.81Å |
| 563 | Y | 92.6 | Very high | 89.8 | Confident | 58 Ų | 58 | 57.8 Ų | 57.8 | 23% | 0.227 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.5 | -54.3 | 178.4 | 174.1 | -97.3 | 0 | 0 | 0 | 111.4 | K559 R560 L565 S566 E567 P867 L868 | K559-Y563 VanDerWaalsContact O-CB 3.27Å; K559-Y563 WeakPolarHBondContact O-CB 3.4Å; K559-Y563 PolarHBondContact O-N 3.3Å; R560-Y563 PolarHBondContact O-N 2.89Å; Y563-L565 VanDerWaalsContact C-N 3.35Å; Y563-L565 PolarHBondContact O-N 3.01Å; Y563-S566 PolarHBondContact O-N 3.22Å; Y563-S566 VanDerWaalsContact O-N 3.15Å; Y563-S566 PolarHBondContact O-OG 2.74Å; Y563-E567 HydrophobicContact CD2-CG 4.24Å; Y563-E567 HydrophobicContact CE1-CG 4.16Å; Y563-E567 HydrophobicContact CE2-CG 3.74Å; Y563-E567 PolarHBondContact O-N 2.87Å; Y563-P867 HydrophobicContact CG-CB 4.47Å; Y563-L868 HydrophobicContact CD1-CD2 4.42Å; Y563-L868 HydrophobicContact CE1-CD1 4.03Å; Y563-L868 HydrophobicContact CE1-CD2 3.79Å; Y563-L868 HydrophobicContact CE1-CG 3.72Å |
| 564 | E | 92.1 | Very high | 88.9 | Confident | 2 Ų | 2 | 59.8 Ų | 59.8 | 1% | 0.009 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.2 | -42.9 | -179 | -70.7 | -169.2 | -151.5 | 0 | 0 | 112.4 | R560 I568 W592 V596 I655 Y656 | R560-E564 HydrophobicContact CG-CG 4.48Å; R560-E564 IonicContact CZ-OE1 3.7Å; R560-E564 VanDerWaalsContact CZ-OE1 3.24Å; R560-E564 IonicContact NE-OE1 3.93Å; R560-E564 PolarHBondContact NE-OE1 3.1Å; R560-E564 IonicContact NH2-OE1 3.72Å; R560-E564 PolarHBondContact NH2-OE1 3.01Å; R560-E564 PolarHBondContact O-N 2.85Å; E564-I568 WeakPolarHBondContact O-CB 3.21Å; E564-I568 PolarHBondContact O-N 2.96Å; E564-W592 PolarHBondContact OE2-NE1 3.35Å; E564-V596 HydrophobicContact CB-CG1 4.02Å; E564-I655 HydrophobicContact CG-CD1 4.33Å; E564-Y656 PolarHBondContact OE2-OH 2.83Å |
| 565 | L | 91.6 | Very high | 87.7 | Confident | 51 Ų | 51 | 60 Ų | 60 | 27% | 0.267 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.2 | -48.5 | 174.2 | -174.5 | 59 | 0 | 0 | 0 | 111.5 | Q561 Y563 E567 I568 M569 W592 V596 | Q561-L565 WeakPolarHBondContact O-CB 3.35Å; Q561-L565 PolarHBondContact O-N 3.46Å; Q561-L565 VanDerWaalsContact O-N 3.13Å; Y563-L565 VanDerWaalsContact C-N 3.35Å; Y563-L565 PolarHBondContact O-N 3.01Å; L565-E567 PolarHBondContact O-N 2.79Å; L565-I568 PolarHBondContact O-N 2.73Å; L565-M569 HydrophobicContact CD1-CE 3.71Å; L565-M569 HydrophobicContact CD1-CG 4.31Å; L565-M569 WeakPolarHBondContact O-CB 3.42Å; L565-M569 WeakPolarHBondContact O-CG 3.44Å; L565-M569 PolarHBondContact O-N 3.33Å; L565-W592 HydrophobicContact CD1-CH2 4.49Å; L565-V596 HydrophobicContact CB-CB 4.16Å; L565-V596 HydrophobicContact CB-CG2 4.5Å; L565-V596 HydrophobicContact CD1-CG2 4.01Å |
| 566 | S | 91.6 | Very high | 86.2 | Confident | 61 Ų | 61 | 60.3 Ų | 60.3 | 43% | 0.427 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.7 | -40.4 | -177.6 | 70 | 0 | 0 | 0 | 0 | 112.6 | K562 Y563 M569 R570 | K562-S566 VanDerWaalsContact O-CB 3.27Å; K562-S566 WeakPolarHBondContact O-CB 3.45Å; K562-S566 PolarHBondContact O-N 2.88Å; K562-S566 PolarHBondContact O-OG 2.81Å; Y563-S566 PolarHBondContact O-N 3.22Å; Y563-S566 VanDerWaalsContact O-N 3.15Å; Y563-S566 PolarHBondContact O-OG 2.74Å; S566-M569 PolarHBondContact O-N 2.78Å; S566-R570 VanDerWaalsContact O-CB 3.26Å; S566-R570 WeakPolarHBondContact O-CB 3.01Å; S566-R570 PolarHBondContact O-N 2.83Å |
| 567 | E | 89.4 | Confident | 84.7 | Confident | 39 Ų | 39 | 64.2 Ų | 64.2 | 18% | 0.182 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -71.2 | -39.7 | 179.1 | -77.5 | -64.8 | 100.1 | 0 | 0 | 112 | Y563 L565 R570 V571 L651 | Y563-E567 HydrophobicContact CD2-CG 4.24Å; Y563-E567 HydrophobicContact CE1-CG 4.16Å; Y563-E567 HydrophobicContact CE2-CG 3.74Å; Y563-E567 PolarHBondContact O-N 2.87Å; L565-E567 PolarHBondContact O-N 2.79Å; E567-R570 PolarHBondContact O-N 2.76Å; E567-R570 WeakPolarHBondContact OE1-CD 3.4Å; E567-R570 IonicContact OE1-CZ 3.66Å; E567-R570 IonicContact OE1-NE 2.76Å; E567-R570 PolarHBondContact OE1-NE 2.94Å; E567-R570 IonicContact OE1-NH2 3.7Å; E567-R570 IonicContact OE2-CZ 3.43Å; E567-R570 IonicContact OE2-NE 3.33Å; E567-R570 PolarHBondContact OE2-NE 2.9Å; E567-R570 IonicContact OE2-NH2 2.69Å; E567-R570 PolarHBondContact OE2-NH2 3.33Å; E567-V571 WeakPolarHBondContact O-CB 3.44Å; E567-V571 VanDerWaalsContact O-CG2 3.27Å; E567-V571 WeakPolarHBondContact O-CG2 3.4Å; E567-V571 PolarHBondContact O-N 2.95Å; E567-L651 HydrophobicContact CB-CD2 3.85Å |
| 568 | I | 88.6 | Confident | 83.4 | Confident | 12 Ų | 12 | 68 Ų | 68 | 6% | 0.062 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -67.8 | -37.1 | 175.9 | -77.5 | 166.7 | 0 | 0 | 0 | 111.4 | E564 L565 V571 S572 W592 V648 L651 L652 | E564-I568 WeakPolarHBondContact O-CB 3.21Å; E564-I568 PolarHBondContact O-N 2.96Å; L565-I568 PolarHBondContact O-N 2.73Å; I568-V571 PolarHBondContact O-N 3.01Å; I568-S572 VanDerWaalsContact O-CB 3.23Å; I568-S572 WeakPolarHBondContact O-CB 3.43Å; I568-S572 PolarHBondContact O-N 3.26Å; I568-S572 PolarHBondContact O-OG 3.06Å; I568-W592 HydrophobicContact CB-CH2 4.11Å; I568-W592 HydrophobicContact CB-CZ2 4.29Å; I568-W592 HydrophobicContact CD1-CH2 3.74Å; I568-W592 HydrophobicContact CD1-CZ2 3.23Å; I568-W592 HydrophobicContact CG1-CH2 4.5Å; I568-W592 HydrophobicContact CG1-CZ2 4.28Å; I568-W592 HydrophobicContact CG2-CH2 3.86Å; I568-W592 HydrophobicContact CG2-CZ2 4.46Å; I568-V648 HydrophobicContact CG2-CG1 4.3Å; I568-L651 HydrophobicContact CD1-CD2 4.49Å; I568-L651 HydrophobicContact CG1-CD2 3.54Å; I568-L651 HydrophobicContact CG1-CG 4.19Å; I568-L652 HydrophobicContact CD1-CD2 3.47Å; I568-L652 VanDerWaalsContact CD1-CD2 3.47Å; I568-L652 HydrophobicContact CD1-CG 4.02Å |
| 569 | M | 88.2 | Confident | 82.1 | Confident | 81 Ų | 81 | 67.6 Ų | 67.6 | 40% | 0.399 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -65.7 | -42.8 | 172 | -67.6 | -70.3 | -177.8 | 0 | 0 | 112.2 | L565 S566 V571 S572 S573 L748 | L565-M569 HydrophobicContact CD1-CE 3.71Å; L565-M569 HydrophobicContact CD1-CG 4.31Å; L565-M569 WeakPolarHBondContact O-CB 3.42Å; L565-M569 WeakPolarHBondContact O-CG 3.44Å; L565-M569 PolarHBondContact O-N 3.33Å; S566-M569 PolarHBondContact O-N 2.78Å; M569-V571 VanDerWaalsContact C-N 3.34Å; M569-V571 PolarHBondContact O-N 2.77Å; M569-S572 PolarHBondContact O-N 3.36Å; M569-S573 PolarHBondContact O-N 2.92Å; M569-S573 VanDerWaalsContact O-N 3.09Å; M569-S573 PolarHBondContact O-OG 3.13Å; M569-L748 HydrophobicContact CE-CD1 4.19Å; M569-L748 HydrophobicContact CE-CD2 4.03Å; M569-L748 HydrophobicContact SD-CD1 3.99Å |
| 570 | R | 88.7 | Confident | 81.4 | Confident | 133 Ų | 133 | 64.8 Ų | 64.8 | 50% | 0.502 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.8 | -39.8 | 176.6 | -171.7 | -170.5 | 63.8 | 66 | -0.5 | 111.9 | S566 E567 S573 | S566-R570 VanDerWaalsContact O-CB 3.26Å; S566-R570 WeakPolarHBondContact O-CB 3.01Å; S566-R570 PolarHBondContact O-N 2.83Å; E567-R570 PolarHBondContact O-N 2.76Å; E567-R570 WeakPolarHBondContact OE1-CD 3.4Å; E567-R570 IonicContact OE1-CZ 3.66Å; E567-R570 IonicContact OE1-NE 2.76Å; E567-R570 PolarHBondContact OE1-NE 2.94Å; E567-R570 IonicContact OE1-NH2 3.7Å; E567-R570 IonicContact OE2-CZ 3.43Å; E567-R570 IonicContact OE2-NE 3.33Å; E567-R570 PolarHBondContact OE2-NE 2.9Å; E567-R570 IonicContact OE2-NH2 2.69Å; E567-R570 PolarHBondContact OE2-NH2 3.33Å; R570-S573 PolarHBondContact O-OG 2.89Å; R570-S573 VanDerWaalsContact O-OG 3.1Å |
| 571 | V | 85.8 | Confident | 81 | Confident | 14 Ų | 14 | 63.5 Ų | 63.5 | 9% | 0.085 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -72.8 | -46 | 177.5 | 171.1 | 0 | 0 | 0 | 0 | 110.9 | E567 I568 M569 S573 S574 E647 V648 L651 | E567-V571 WeakPolarHBondContact O-CB 3.44Å; E567-V571 VanDerWaalsContact O-CG2 3.27Å; E567-V571 WeakPolarHBondContact O-CG2 3.4Å; E567-V571 PolarHBondContact O-N 2.95Å; I568-V571 PolarHBondContact O-N 3.01Å; M569-V571 VanDerWaalsContact C-N 3.34Å; M569-V571 PolarHBondContact O-N 2.77Å; V571-S573 VanDerWaalsContact C-N 3.26Å; V571-S573 PolarHBondContact O-N 3.41Å; V571-S574 PolarHBondContact O-N 2.94Å; V571-S574 PolarHBondContact O-OG 3.45Å; V571-E647 VanDerWaalsContact CG1-C 3.5Å; V571-E647 HydrophobicContact CG1-CB 3.29Å; V571-V648 HydrophobicContact CG1-CG2 3.88Å; V571-L651 HydrophobicContact CG2-CD2 4.02Å |
| 572 | S | 82.7 | Confident | 80.8 | Confident | 53 Ų | 53 | 65.1 Ų | 65.1 | 37% | 0.371 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -60.8 | -31.6 | -179.8 | -58.5 | 0 | 0 | 0 | 0 | 113.7 | I568 M569 S574 V575 V648 | I568-S572 VanDerWaalsContact O-CB 3.23Å; I568-S572 WeakPolarHBondContact O-CB 3.43Å; I568-S572 PolarHBondContact O-N 3.26Å; I568-S572 PolarHBondContact O-OG 3.06Å; M569-S572 PolarHBondContact O-N 3.36Å; S572-S574 VanDerWaalsContact C-N 3.32Å; S572-V575 WeakPolarHBondContact O-CG2 3.5Å; S572-V648 VanDerWaalsContact OG-CG2 3.3Å; S572-V648 WeakPolarHBondContact OG-CG2 3.24Å |
| 573 | S | 77.5 | Confident | 80.7 | Confident | 101 Ų | 101 | 57.9 Ų | 57.9 | 71% | 0.706 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -11.9 | 176.9 | 49 | 0 | 0 | 0 | 0 | 114.3 | M569 R570 V571 | M569-S573 PolarHBondContact O-N 2.92Å; M569-S573 VanDerWaalsContact O-N 3.09Å; M569-S573 PolarHBondContact O-OG 3.13Å; R570-S573 PolarHBondContact O-OG 2.89Å; R570-S573 VanDerWaalsContact O-OG 3.1Å; V571-S573 VanDerWaalsContact C-N 3.26Å; V571-S573 PolarHBondContact O-N 3.41Å |
| 574 | S | 71.3 | Confident | 80.6 | Confident | 75 Ų | 75 | 55.1 Ų | 55.1 | 52% | 0.524 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -0.1 | 179.1 | 70.4 | 0 | 0 | 0 | 0 | 114.4 | V571 S572 T576 | V571-S574 PolarHBondContact O-N 2.94Å; V571-S574 PolarHBondContact O-OG 3.45Å; S572-S574 VanDerWaalsContact C-N 3.32Å; S574-T576 PolarHBondContact O-N 3.49Å |
| 575 | V | 66.2 | Low | 80.6 | Confident | 50 Ų | 50 | 55.1 Ų | 55.1 | 30% | 0.303 | 33% | 0.328 | S | S | . | . | trans | -74.4 | 123.3 | -170.3 | -176 | 0 | 0 | 0 | 0 | 111.3 | S572 S579 S645 | S572-V575 WeakPolarHBondContact O-CG2 3.5Å; V575-S579 WeakPolarHBondContact CG1-OG 3.39Å; V575-S645 WeakPolarHBondContact CG2-OG 3.49Å | ||
| 576 | T | 61.3 | Low | 80.6 | Confident | 85 Ų | 85 | 55.5 Ų | 55.5 | 52% | 0.521 | 33% | 0.327 | S | S | . | . | trans | -85.7 | 147.7 | 170.3 | 56.4 | 0 | 0 | 0 | 0 | 110.7 | S574 S578 S579 | S574-T576 PolarHBondContact O-N 3.49Å; T576-S578 PolarHBondContact O-N 2.93Å; T576-S579 PolarHBondContact O-N 2.73Å; T576-S579 VanDerWaalsContact O-N 3.14Å; T576-S579 PolarHBondContact O-OG 3.44Å | ||
| 577 | P | 60.1 | Low | 80.5 | Confident | 130 Ų | 130 | 59.6 Ų | 59.6 | 84% | 0.844 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -5.6 | -172.8 | -26.2 | 35.4 | 0 | 0 | 0 | 117 | ||
| 578 | S | 60.9 | Low | 80.7 | Confident | 109 Ų | 109 | 58.4 Ų | 58.4 | 76% | 0.762 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.1 | 8.3 | 179.4 | 56.4 | 0 | 0 | 0 | 0 | 114.2 | T576 | T576-S578 PolarHBondContact O-N 2.93Š|
| 579 | S | 65.1 | Low | 80.9 | Confident | 28 Ų | 28 | 58.5 Ų | 58.5 | 20% | 0.196 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -70.6 | 144.7 | 178.5 | 65.9 | 0 | 0 | 0 | 0 | 112 | V575 T576 | V575-S579 WeakPolarHBondContact CG1-OG 3.39Å; T576-S579 PolarHBondContact O-N 2.73Å; T576-S579 VanDerWaalsContact O-N 3.14Å; T576-S579 PolarHBondContact O-OG 3.44Å |
| 580 | T | 77 | Confident | 81.1 | Confident | 65 Ų | 65 | 57.7 Ų | 57.7 | 40% | 0.399 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -64 | 134.6 | 170.2 | -55.8 | 0 | 0 | 0 | 0 | 109.4 | Y582 A646 | T580-Y582 HydrophobicContact CG2-CE2 4.09Å; T580-A646 WeakPolarHBondContact O-CB 3.24Å; T580-A646 PolarHBondContact O-N 2.96Å |
| 581 | S | 84.4 | Confident | 81.2 | Confident | 17 Ų | 17 | 54.7 Ų | 54.7 | 12% | 0.119 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 156.1 | 173.8 | -48.5 | 0 | 0 | 0 | 0 | 110.9 | V644 V664 | S581-V644 CarbonylContact C-O 3.5Å; S581-V644 WeakPolarHBondContact CA-O 3.43Å; S581-V664 PolarHBondContact N-O 3.39Å; S581-V664 PolarHBondContact O-N 2.74Å |
| 582 | Y | 89.2 | Confident | 81.6 | Confident | 52 Ų | 52 | 54.9 Ų | 54.9 | 20% | 0.204 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 147.1 | 173.4 | -67.9 | -96 | 0 | 0 | 0 | 110.2 | T580 Y643 V644 A646 W649 T661 I662 | T580-Y582 HydrophobicContact CG2-CE2 4.09Å; Y582-Y643 WeakPolarHBondContact O-CA 3.43Å; Y582-V644 PolarHBondContact N-O 3.13Å; Y582-V644 PolarHBondContact O-N 2.77Å; Y582-A646 HydrophobicContact CD2-CB 4.37Å; Y582-A646 HydrophobicContact CE2-CB 3.8Å; Y582-W649 AromaticContact CD1-CD1 3.99Å; Y582-W649 HydrophobicContact CD1-CD2 4.11Å; Y582-W649 AromaticContact CD1-CG 3.98Å; Y582-W649 HydrophobicContact CD1-CG 3.98Å; Y582-W649 HydrophobicContact CD2-CB 3.64Å; Y582-W649 AromaticContact CD2-CG 3.79Å; Y582-W649 HydrophobicContact CD2-CG 3.79Å; Y582-W649 HydrophobicContact CE1-CG 4.49Å; Y582-W649 HydrophobicContact CE2-CB 4.35Å; Y582-W649 HydrophobicContact CE2-CG 4.34Å; Y582-W649 HydrophobicContact CG-CB 3.82Å; Y582-W649 AromaticContact CG-CD1 3.97Å; Y582-W649 AromaticContact CG-CD2 3.96Å; Y582-W649 HydrophobicContact CG-CD2 3.96Å; Y582-W649 HydrophobicContact CG-CE3 4.48Å; Y582-W649 AromaticContact CG-CG 3.59Å; Y582-W649 HydrophobicContact CG-CG 3.59Å; Y582-T661 HydrophobicContact CD1-CG2 3.62Å; Y582-T661 HydrophobicContact CE1-CG2 3.45Å; Y582-T661 VanDerWaalsContact CE1-CG2 3.45Å; Y582-I662 CarbonylContact C-O 3.54Å; Y582-I662 VanDerWaalsContact CA-O 3.25Å; Y582-I662 WeakPolarHBondContact CA-O 3.47Å |
| 583 | A | 90.7 | Very high | 82.1 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 132.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | N609 I612 Y641 E642 I662 V664 | A583-N609 PolarHBondContact O-ND2 2.81Å; A583-I612 HydrophobicContact CB-CD1 4.16Å; A583-Y641 HydrophobicContact CB-CD2 3.7Å; A583-Y641 HydrophobicContact CB-CE2 4.41Å; A583-Y641 HydrophobicContact CB-CG 4.39Å; A583-E642 WeakPolarHBondContact CA-O 3.48Å; A583-I662 HydrophobicContact CB-CB 4.16Å; A583-I662 HydrophobicContact CB-CG2 4.04Å; A583-I662 PolarHBondContact N-O 3.43Å; A583-V664 HydrophobicContact CB-CG2 4.36Å |
| 584 | V | 91.3 | Very high | 82.8 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 140.8 | 174.7 | -175.4 | 0 | 0 | 0 | 0 | 108.8 | K586 W588 L589 I607 N609 Y641 E642 V644 W649 | V584-K586 PolarHBondContact O-N 2.92Å; V584-W588 HydrophobicContact CG1-CE3 3.88Å; V584-L589 HydrophobicContact CG1-CB 4.36Å; V584-I607 HydrophobicContact CG1-CG2 4.36Å; V584-N609 WeakPolarHBondContact CA-OD1 3.32Å; V584-Y641 CarbonylContact O-C 3.55Å; V584-Y641 WeakPolarHBondContact O-CA 3.12Å; V584-Y641 WeakPolarHBondContact O-CB 3.25Å; V584-E642 PolarHBondContact N-O 3.21Å; V584-E642 PolarHBondContact O-N 3.12Å; V584-V644 HydrophobicContact CG2-CB 4.44Å; V584-V644 HydrophobicContact CG2-CG1 3.92Å; V584-V644 HydrophobicContact CG2-CG2 3.62Å; V584-W649 HydrophobicContact CG2-CE3 3.85Å; V584-W649 HydrophobicContact CG2-CZ3 3.98Å |
| 585 | S | 91.9 | Very high | 83.8 | Confident | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.007 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.5 | 127.1 | 174.6 | 166.7 | 0 | 0 | 0 | 0 | 109.7 | K587 W588 L589 D608 N609 D611 | S585-K587 VanDerWaalsContact C-N 3.26Å; S585-K587 PolarHBondContact O-N 3.36Å; S585-K587 PolarHBondContact OG-N 3.24Å; S585-W588 PolarHBondContact O-N 2.82Å; S585-W588 PolarHBondContact OG-N 2.76Å; S585-L589 WeakPolarHBondContact O-CB 3.47Å; S585-L589 PolarHBondContact O-N 2.76Å; S585-D608 WeakPolarHBondContact CB-O 3.17Å; S585-N609 PolarHBondContact N-OD1 2.89Å; S585-D611 WeakPolarHBondContact CB-OD1 3.43Å; S585-D611 WeakPolarHBondContact CB-OD2 3.49Å; S585-D611 PolarHBondContact OG-OD1 2.86Å; S585-D611 PolarHBondContact OG-OD2 2.74Å |
| 586 | K | 91.1 | Very high | 85.1 | Confident | 59 Ų | 59 | 47.3 Ų | 47.3 | 26% | 0.257 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -59.1 | -42.7 | 176.3 | -175.2 | 167.8 | -172.1 | 132 | 0 | 110.5 | V584 W588 L589 D590 G639 N640 E642 | V584-K586 PolarHBondContact O-N 2.92Å; K586-W588 PolarHBondContact O-N 3.29Å; K586-L589 CarbonylContact O-C 3.5Å; K586-L589 PolarHBondContact O-N 2.77Å; K586-L589 VanDerWaalsContact O-N 3.1Å; K586-D590 WeakPolarHBondContact O-CB 3.38Å; K586-D590 PolarHBondContact O-N 3.03Å; K586-G639 WeakPolarHBondContact CD-O 3.35Å; K586-N640 PolarHBondContact N-O 2.72Å; K586-E642 HydrophobicContact CB-CG 4.27Å; K586-E642 HydrophobicContact CD-CG 4.44Å; K586-E642 HydrophobicContact CG-CG 4.25Å; K586-E642 IonicContact NZ-OE1 3.26Å; K586-E642 PolarHBondContact NZ-OE1 2.85Å |
| 587 | K | 89.7 | Confident | 86.6 | Confident | 148 Ų | 148 | 47.6 Ų | 47.6 | 64% | 0.643 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -58.5 | -42.1 | 176.2 | -178.1 | -171.8 | 174.7 | -170 | 0 | 112.9 | S585 L591 | S585-K587 VanDerWaalsContact C-N 3.26Å; S585-K587 PolarHBondContact O-N 3.36Å; S585-K587 PolarHBondContact OG-N 3.24Å; K587-L591 PolarHBondContact O-N 2.88Å |
| 588 | W | 93.5 | Very high | 88 | Confident | 14 Ų | 14 | 43.4 Ų | 43.4 | 5% | 0.053 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.8 | -41.9 | 176.2 | -175 | 91.3 | 0 | 0 | 0 | 111 | V584 S585 K586 L591 W592 P604 G605 P606 I607 L652 Y656 | V584-W588 HydrophobicContact CG1-CE3 3.88Å; S585-W588 PolarHBondContact O-N 2.82Å; S585-W588 PolarHBondContact OG-N 2.76Å; K586-W588 PolarHBondContact O-N 3.29Å; W588-L591 PolarHBondContact O-N 3.44Å; W588-W592 HydrophobicContact CE3-CB 4.24Å; W588-W592 HydrophobicContact CH2-CB 3.95Å; W588-W592 AromaticContact CH2-CD1 3.98Å; W588-W592 HydrophobicContact CH2-CG 4.04Å; W588-W592 HydrophobicContact CZ3-CB 3.73Å; W588-W592 HydrophobicContact CZ3-CG 4.03Å; W588-W592 PolarHBondContact O-N 2.98Å; W588-P604 HydrophobicContact CH2-CG 4.1Å; W588-P604 HydrophobicContact CZ2-CB 3.88Å; W588-P604 HydrophobicContact CZ2-CG 3.64Å; W588-G605 PolarHBondContact NE1-O 3.41Å; W588-P606 PolarHBondContact NE1-O 2.91Å; W588-I607 HydrophobicContact CD2-CB 4.48Å; W588-I607 HydrophobicContact CD2-CG1 4.14Å; W588-I607 HydrophobicContact CD2-CG2 4.43Å; W588-I607 HydrophobicContact CE3-CG1 4.37Å; W588-I607 HydrophobicContact CH2-CG1 4.02Å; W588-I607 HydrophobicContact CZ2-CG1 3.71Å; W588-I607 HydrophobicContact CZ3-CG1 4.32Å; W588-L652 HydrophobicContact CH2-CD2 3.87Å; W588-L652 HydrophobicContact CZ3-CD1 4.42Å; W588-L652 HydrophobicContact CZ3-CD2 3.95Å; W588-Y656 AromaticContact CH2-CD2 3.6Å; W588-Y656 HydrophobicContact CH2-CD2 3.6Å; W588-Y656 AromaticContact CH2-CE2 3.8Å; W588-Y656 HydrophobicContact CH2-CE2 3.8Å; W588-Y656 HydrophobicContact CH2-CG 4.09Å; W588-Y656 HydrophobicContact CZ2-CD1 4.04Å; W588-Y656 AromaticContact CZ2-CD2 3.66Å; W588-Y656 HydrophobicContact CZ2-CD2 3.66Å; W588-Y656 HydrophobicContact CZ2-CE1 4.42Å; W588-Y656 HydrophobicContact CZ2-CE2 4.05Å; W588-Y656 AromaticContact CZ2-CG 3.64Å; W588-Y656 HydrophobicContact CZ2-CG 3.64Å |
| 589 | L | 92.4 | Very high | 89.2 | Confident | 13 Ų | 13 | 44 Ų | 44 | 7% | 0.068 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -71.8 | -32.7 | -177.2 | -165.6 | 63.7 | 0 | 0 | 0 | 113.1 | V584 S585 K586 L591 W592 L593 E642 W751 | V584-L589 HydrophobicContact CG1-CB 4.36Å; S585-L589 WeakPolarHBondContact O-CB 3.47Å; S585-L589 PolarHBondContact O-N 2.76Å; K586-L589 CarbonylContact O-C 3.5Å; K586-L589 PolarHBondContact O-N 2.77Å; K586-L589 VanDerWaalsContact O-N 3.1Å; L589-L591 VanDerWaalsContact C-N 3.31Å; L589-L591 PolarHBondContact O-N 3.04Å; L589-W592 HydrophobicContact CD1-CB 4.46Å; L589-W592 HydrophobicContact CD1-CD2 4.43Å; L589-W592 HydrophobicContact CD1-CE3 3.81Å; L589-W592 WeakPolarHBondContact O-CB 3.35Å; L589-W592 PolarHBondContact O-N 2.92Å; L589-L593 WeakPolarHBondContact O-CB 3.48Å; L589-L593 PolarHBondContact O-N 2.82Å; L589-E642 HydrophobicContact CD2-CB 4.11Å; L589-E642 HydrophobicContact CD2-CG 4.42Å; L589-W751 HydrophobicContact CD2-CH2 3.23Å; L589-W751 HydrophobicContact CD2-CZ2 4.23Å; L589-W751 HydrophobicContact CD2-CZ3 3.57Å; L589-W751 HydrophobicContact CG-CH2 4.45Å; L589-W751 HydrophobicContact CG-CZ3 4.43Å |
| 590 | D | 91.9 | Very high | 90.2 | Very high | 64 Ų | 64 | 45 Ų | 45 | 34% | 0.342 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -63.1 | -37.6 | 172.3 | -66.6 | -28.2 | 0 | 0 | 0 | 111.3 | K586 Q594 | K586-D590 WeakPolarHBondContact O-CB 3.38Å; K586-D590 PolarHBondContact O-N 3.03Å; D590-Q594 VanDerWaalsContact O-CG 3.31Å; D590-Q594 WeakPolarHBondContact O-CG 3.47Å; D590-Q594 PolarHBondContact O-N 2.85Å; D590-Q594 PolarHBondContact O-NE2 2.93Å |
| 591 | L | 91.2 | Very high | 90.5 | Very high | 71 Ų | 71 | 46.5 Ų | 46.5 | 37% | 0.372 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -70.2 | -41.4 | 173.4 | -68.9 | 171.8 | 0 | 0 | 0 | 111.5 | K587 W588 L589 L593 Q594 F595 I600 P604 | K587-L591 PolarHBondContact O-N 2.88Å; W588-L591 PolarHBondContact O-N 3.44Å; L589-L591 VanDerWaalsContact C-N 3.31Å; L589-L591 PolarHBondContact O-N 3.04Å; L591-L593 VanDerWaalsContact C-N 3.32Å; L591-L593 PolarHBondContact O-N 2.89Å; L591-Q594 PolarHBondContact O-N 2.83Å; L591-F595 WeakPolarHBondContact O-CB 3.5Å; L591-F595 PolarHBondContact O-N 2.77Å; L591-I600 HydrophobicContact CD2-CD1 4.42Å; L591-P604 HydrophobicContact CB-CB 4.21Å |
| 592 | W | 93.9 | Very high | 90.4 | Very high | 17 Ų | 17 | 52 Ų | 52 | 6% | 0.064 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.2 | -44.4 | 172.4 | -179.8 | 74.8 | 0 | 0 | 0 | 111.8 | E564 L565 I568 W588 L589 F595 V596 P604 L652 Y656 | E564-W592 PolarHBondContact OE2-NE1 3.35Å; L565-W592 HydrophobicContact CD1-CH2 4.49Å; I568-W592 HydrophobicContact CB-CH2 4.11Å; I568-W592 HydrophobicContact CB-CZ2 4.29Å; I568-W592 HydrophobicContact CD1-CH2 3.74Å; I568-W592 HydrophobicContact CD1-CZ2 3.23Å; I568-W592 HydrophobicContact CG1-CH2 4.5Å; I568-W592 HydrophobicContact CG1-CZ2 4.28Å; I568-W592 HydrophobicContact CG2-CH2 3.86Å; I568-W592 HydrophobicContact CG2-CZ2 4.46Å; W588-W592 HydrophobicContact CE3-CB 4.24Å; W588-W592 HydrophobicContact CH2-CB 3.95Å; W588-W592 AromaticContact CH2-CD1 3.98Å; W588-W592 HydrophobicContact CH2-CG 4.04Å; W588-W592 HydrophobicContact CZ3-CB 3.73Å; W588-W592 HydrophobicContact CZ3-CG 4.03Å; W588-W592 PolarHBondContact O-N 2.98Å; L589-W592 HydrophobicContact CD1-CB 4.46Å; L589-W592 HydrophobicContact CD1-CD2 4.43Å; L589-W592 HydrophobicContact CD1-CE3 3.81Å; L589-W592 WeakPolarHBondContact O-CB 3.35Å; L589-W592 PolarHBondContact O-N 2.92Å; W592-F595 WeakPolarHBondContact O-CB 3.42Å; W592-F595 PolarHBondContact O-N 3.19Å; W592-V596 HydrophobicContact CD2-CG1 4.34Å; W592-V596 HydrophobicContact CD2-CG2 4.42Å; W592-V596 HydrophobicContact CE3-CG2 4.35Å; W592-V596 HydrophobicContact CH2-CG1 4.35Å; W592-V596 HydrophobicContact CH2-CG2 3.82Å; W592-V596 HydrophobicContact CZ2-CB 4.25Å; W592-V596 HydrophobicContact CZ2-CG1 3.53Å; W592-V596 HydrophobicContact CZ2-CG2 3.85Å; W592-V596 HydrophobicContact CZ3-CG2 4.09Å; W592-V596 WeakPolarHBondContact O-CG2 3.14Å; W592-V596 PolarHBondContact O-N 2.83Å; W592-P604 HydrophobicContact CB-CG 3.84Å; W592-P604 HydrophobicContact CG-CG 4.33Å; W592-L652 HydrophobicContact CD2-CD2 4.48Å; W592-Y656 AromaticContact CD1-CE2 3.7Å; W592-Y656 AromaticContact CD1-CZ 3.87Å; W592-Y656 AromaticContact NE1-CE2 3.99Å |
| 593 | L | 93.2 | Very high | 90.3 | Very high | 44 Ų | 44 | 50.5 Ų | 50.5 | 23% | 0.23 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.7 | -44.2 | 179.4 | -172.1 | 62.4 | 0 | 0 | 0 | 111.5 | L589 L591 F595 V596 K597 | L589-L593 WeakPolarHBondContact O-CB 3.48Å; L589-L593 PolarHBondContact O-N 2.82Å; L591-L593 VanDerWaalsContact C-N 3.32Å; L591-L593 PolarHBondContact O-N 2.89Å; L593-F595 VanDerWaalsContact C-N 3.31Å; L593-F595 PolarHBondContact O-N 3.45Å; L593-V596 HydrophobicContact CD1-CG2 4.48Å; L593-V596 PolarHBondContact O-N 3.49Å; L593-K597 HydrophobicContact CD1-CD 4.36Å; L593-K597 HydrophobicContact CD1-CG 4.37Å; L593-K597 HydrophobicContact CG-CD 4.09Å; L593-K597 HydrophobicContact CG-CG 4.47Å; L593-K597 VanDerWaalsContact O-CB 3.23Å; L593-K597 WeakPolarHBondContact O-CB 3.48Å; L593-K597 VanDerWaalsContact O-CG 3.26Å; L593-K597 WeakPolarHBondContact O-CG 3.42Å; L593-K597 PolarHBondContact O-N 2.75Å |
| 594 | Q | 91.8 | Very high | 90 | Very high | 67 Ų | 67 | 51 Ų | 51 | 31% | 0.313 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -59 | -41.6 | 172.5 | -77.1 | 166.7 | 74.2 | 0 | 0 | 111.9 | D590 L591 G598 Q599 I600 | D590-Q594 VanDerWaalsContact O-CG 3.31Å; D590-Q594 WeakPolarHBondContact O-CG 3.47Å; D590-Q594 PolarHBondContact O-N 2.85Å; D590-Q594 PolarHBondContact O-NE2 2.93Å; L591-Q594 PolarHBondContact O-N 2.83Å; Q594-G598 PolarHBondContact O-N 3.43Å; Q594-Q599 HydrophobicContact CB-CB 4.26Å; Q594-Q599 WeakPolarHBondContact O-CB 3.24Å; Q594-Q599 PolarHBondContact O-N 2.75Å; Q594-I600 HydrophobicContact CB-CD1 3.98Å; Q594-I600 HydrophobicContact CB-CG1 3.95Å; Q594-I600 HydrophobicContact CB-CG2 4.32Å; Q594-I600 PolarHBondContact O-N 2.82Å |
| 595 | F | 93.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.7 | -52.7 | 178.2 | 171.1 | -111.1 | 0 | 0 | 0 | 111.3 | I557 R560 Q561 L591 W592 L593 K597 G598 I600 A603 | I557-F595 HydrophobicContact CD1-CE2 3.84Å; I557-F595 HydrophobicContact CD1-CZ 4.1Å; I557-F595 HydrophobicContact CG1-CE2 4.06Å; R560-F595 HydrophobicContact CG-CE1 4.46Å; R560-F595 HydrophobicContact CG-CZ 4.15Å; Q561-F595 VanDerWaalsContact CD-O 3.28Å; Q561-F595 HydrophobicContact CG-CD2 4.19Å; Q561-F595 HydrophobicContact CG-CE1 4.12Å; Q561-F595 HydrophobicContact CG-CE2 3.77Å; Q561-F595 HydrophobicContact CG-CZ 3.72Å; Q561-F595 VanDerWaalsContact CG-O 3.26Å; Q561-F595 WeakPolarHBondContact CG-O 3.23Å; Q561-F595 PolarHBondContact NE2-O 3.1Å; L591-F595 WeakPolarHBondContact O-CB 3.5Å; L591-F595 PolarHBondContact O-N 2.77Å; W592-F595 WeakPolarHBondContact O-CB 3.42Å; W592-F595 PolarHBondContact O-N 3.19Å; L593-F595 VanDerWaalsContact C-N 3.31Å; L593-F595 PolarHBondContact O-N 3.45Å; F595-K597 VanDerWaalsContact C-N 3.33Å; F595-K597 PolarHBondContact O-N 3.08Å; F595-G598 PolarHBondContact O-N 3.04Å; F595-I600 HydrophobicContact CB-CD1 4.24Å; F595-I600 HydrophobicContact CB-CG1 3.93Å; F595-A603 HydrophobicContact CD1-CB 4.09Å; F595-A603 HydrophobicContact CD2-CB 4.08Å; F595-A603 HydrophobicContact CE1-CB 3.88Å; F595-A603 HydrophobicContact CE2-CB 3.89Å; F595-A603 HydrophobicContact CG-CB 4.19Å; F595-A603 HydrophobicContact CZ-CB 3.78Å |
| 596 | V | 93.2 | Very high | 89.6 | Confident | 9 Ų | 9 | 57.2 Ų | 57.2 | 6% | 0.055 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -73.5 | -22.2 | -177.9 | -59.5 | 0 | 0 | 0 | 0 | 114.1 | E564 L565 W592 L593 G598 | E564-V596 HydrophobicContact CB-CG1 4.02Å; L565-V596 HydrophobicContact CB-CB 4.16Å; L565-V596 HydrophobicContact CB-CG2 4.5Å; L565-V596 HydrophobicContact CD1-CG2 4.01Å; W592-V596 HydrophobicContact CD2-CG1 4.34Å; W592-V596 HydrophobicContact CD2-CG2 4.42Å; W592-V596 HydrophobicContact CE3-CG2 4.35Å; W592-V596 HydrophobicContact CH2-CG1 4.35Å; W592-V596 HydrophobicContact CH2-CG2 3.82Å; W592-V596 HydrophobicContact CZ2-CB 4.25Å; W592-V596 HydrophobicContact CZ2-CG1 3.53Å; W592-V596 HydrophobicContact CZ2-CG2 3.85Å; W592-V596 HydrophobicContact CZ3-CG2 4.09Å; W592-V596 WeakPolarHBondContact O-CG2 3.14Å; W592-V596 PolarHBondContact O-N 2.83Å; L593-V596 HydrophobicContact CD1-CG2 4.48Å; L593-V596 PolarHBondContact O-N 3.49Å; V596-G598 PolarHBondContact O-N 3.04Å |
| 597 | K | 92.4 | Very high | 89.5 | Confident | 92 Ų | 92 | 54.6 Ų | 54.6 | 40% | 0.4 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -5.2 | 166.7 | -74.9 | -178 | 175.7 | -175.9 | 0 | 113.1 | L593 F595 Q599 | L593-K597 HydrophobicContact CD1-CD 4.36Å; L593-K597 HydrophobicContact CD1-CG 4.37Å; L593-K597 HydrophobicContact CG-CD 4.09Å; L593-K597 HydrophobicContact CG-CG 4.47Å; L593-K597 VanDerWaalsContact O-CB 3.23Å; L593-K597 WeakPolarHBondContact O-CB 3.48Å; L593-K597 VanDerWaalsContact O-CG 3.26Å; L593-K597 WeakPolarHBondContact O-CG 3.42Å; L593-K597 PolarHBondContact O-N 2.75Å; F595-K597 VanDerWaalsContact C-N 3.33Å; F595-K597 PolarHBondContact O-N 3.08Å; K597-Q599 VanDerWaalsContact C-N 3.27Å; K597-Q599 HydrophobicContact CB-CG 4Å; K597-Q599 PolarHBondContact O-N 3.18Å |
| 598 | G | 88.8 | Confident | 89.5 | Confident | 41 Ų | 41 | 51.6 Ų | 51.6 | 42% | 0.423 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74 | 14 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q594 F595 V596 | Q594-G598 PolarHBondContact O-N 3.43Å; F595-G598 PolarHBondContact O-N 3.04Å; V596-G598 PolarHBondContact O-N 3.04Å |
| 599 | Q | 87.1 | Confident | 89.3 | Confident | 122 Ų | 122 | 50.9 Ų | 50.9 | 57% | 0.57 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -79.8 | -27 | -179.4 | -63.5 | 173.4 | -39.1 | 0 | 0 | 112 | Q594 K597 | Q594-Q599 HydrophobicContact CB-CB 4.26Å; Q594-Q599 WeakPolarHBondContact O-CB 3.24Å; Q594-Q599 PolarHBondContact O-N 2.75Å; K597-Q599 VanDerWaalsContact C-N 3.27Å; K597-Q599 HydrophobicContact CB-CG 4Å; K597-Q599 PolarHBondContact O-N 3.18Å |
| 600 | I | 86.2 | Confident | 88.9 | Confident | 48 Ų | 48 | 53.3 Ų | 53.3 | 25% | 0.246 | 29% | 0.294 | C | S | . | . | trans | -128.6 | 148.1 | 171.9 | 64.7 | 177.4 | 0 | 0 | 0 | 111.2 | Q561 L591 Q594 F595 E602 | Q561-I600 PolarHBondContact NE2-O 3.4Å; L591-I600 HydrophobicContact CD2-CD1 4.42Å; Q594-I600 HydrophobicContact CB-CD1 3.98Å; Q594-I600 HydrophobicContact CB-CG1 3.95Å; Q594-I600 HydrophobicContact CB-CG2 4.32Å; Q594-I600 PolarHBondContact O-N 2.82Å; F595-I600 HydrophobicContact CB-CD1 4.24Å; F595-I600 HydrophobicContact CB-CG1 3.93Å; I600-E602 WeakPolarHBondContact CD1-O 3.37Å | ||
| 601 | W | 84.1 | Confident | 88.4 | Confident | 98 Ų | 98 | 52.4 Ų | 52.4 | 37% | 0.371 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -83.6 | -35.6 | 179.5 | -73.5 | 80.5 | 0 | 0 | 0 | 113.2 | P513 E514 I557 | P513-W601 HydrophobicContact CB-CE3 4.35Å; P513-W601 HydrophobicContact CB-CH2 3.33Å; P513-W601 HydrophobicContact CB-CZ2 3.84Å; P513-W601 HydrophobicContact CB-CZ3 3.59Å; P513-W601 HydrophobicContact CG-CH2 4.24Å; P513-W601 HydrophobicContact CG-CZ3 4.25Å; E514-W601 HydrophobicContact CB-CB 3.55Å; E514-W601 HydrophobicContact CB-CD2 3.72Å; E514-W601 HydrophobicContact CB-CE3 4.01Å; E514-W601 HydrophobicContact CB-CG 3.49Å; E514-W601 VanDerWaalsContact CB-CG 3.49Å; I557-W601 HydrophobicContact CB-CE3 4.34Å; I557-W601 HydrophobicContact CB-CZ3 4.28Å; I557-W601 HydrophobicContact CG1-CE3 4.45Å; I557-W601 HydrophobicContact CG2-CE3 3.65Å; I557-W601 HydrophobicContact CG2-CH2 4.06Å; I557-W601 HydrophobicContact CG2-CZ3 3.34Å |
| 602 | E | 81.7 | Confident | 88 | Confident | 132 Ų | 132 | 49.2 Ų | 49.2 | 62% | 0.617 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -82.3 | 126.2 | -179.3 | -168.9 | 166.6 | -168.5 | 0 | 0 | 109.9 | I600 | I600-E602 WeakPolarHBondContact CD1-O 3.37Š|
| 603 | A | 86.3 | Confident | 86.6 | Confident | 20 Ų | 20 | 54.1 Ų | 54.1 | 17% | 0.165 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -66.5 | 147.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | F595 Y656 | F595-A603 HydrophobicContact CD1-CB 4.09Å; F595-A603 HydrophobicContact CD2-CB 4.08Å; F595-A603 HydrophobicContact CE1-CB 3.88Å; F595-A603 HydrophobicContact CE2-CB 3.89Å; F595-A603 HydrophobicContact CG-CB 4.19Å; F595-A603 HydrophobicContact CZ-CB 3.78Å; A603-Y656 HydrophobicContact CB-CE1 4.11Å |
| 604 | P | 84.5 | Confident | 84.9 | Confident | 11 Ų | 11 | 54.6 Ų | 54.6 | 7% | 0.071 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -55.6 | 147.8 | 173.7 | 28.9 | -39.6 | 0 | 0 | 0 | 110.5 | W588 L591 W592 Y656 | W588-P604 HydrophobicContact CH2-CG 4.1Å; W588-P604 HydrophobicContact CZ2-CB 3.88Å; W588-P604 HydrophobicContact CZ2-CG 3.64Å; L591-P604 HydrophobicContact CB-CB 4.21Å; W592-P604 HydrophobicContact CB-CG 3.84Å; W592-P604 HydrophobicContact CG-CG 4.33Å; P604-Y656 WeakPolarHBondContact CD-OH 3.25Å; P604-Y656 HydrophobicContact CG-CD1 4.39Å; P604-Y656 HydrophobicContact CG-CE1 3.69Å; P604-Y656 HydrophobicContact CG-CE2 4.42Å; P604-Y656 WeakPolarHBondContact O-CD1 3.49Å; P604-Y656 WeakPolarHBondContact O-CE1 3.19Å |
| 605 | G | 84.8 | Confident | 82.8 | Confident | 43 Ų | 43 | 54.1 Ų | 54.1 | 44% | 0.443 | 31% | 0.312 | S | S | . | . | trans | -66.5 | -169.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | W588 | W588-G605 PolarHBondContact NE1-O 3.41Š| ||
| 606 | P | 90.1 | Very high | 80.4 | Confident | 89 Ų | 89 | 56.9 Ų | 56.9 | 58% | 0.578 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -50.6 | 145.4 | 170.1 | -24 | 34.2 | 0 | 0 | 0 | 111.6 | W588 D608 Y656 | W588-P606 PolarHBondContact NE1-O 2.91Å; P606-D608 PolarHBondContact O-N 3.27Å; P606-Y656 WeakPolarHBondContact CA-O 3.44Å |
| 607 | I | 89.6 | Confident | 78.1 | Confident | 3 Ų | 3 | 65.5 Ų | 65.5 | 2% | 0.015 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.7 | 122.6 | -179.9 | -57.9 | 166 | 0 | 0 | 0 | 108.8 | V584 W588 W649 L652 G657 G658 G659 | V584-I607 HydrophobicContact CG1-CG2 4.36Å; W588-I607 HydrophobicContact CD2-CB 4.48Å; W588-I607 HydrophobicContact CD2-CG1 4.14Å; W588-I607 HydrophobicContact CD2-CG2 4.43Å; W588-I607 HydrophobicContact CE3-CG1 4.37Å; W588-I607 HydrophobicContact CH2-CG1 4.02Å; W588-I607 HydrophobicContact CZ2-CG1 3.71Å; W588-I607 HydrophobicContact CZ3-CG1 4.32Å; I607-W649 HydrophobicContact CD1-CH2 4.31Å; I607-W649 HydrophobicContact CD1-CZ3 4.25Å; I607-W649 HydrophobicContact CG2-CH2 4.29Å; I607-W649 HydrophobicContact CG2-CZ3 4.21Å; I607-L652 HydrophobicContact CD1-CB 3.96Å; I607-G657 WeakPolarHBondContact CB-O 3.42Å; I607-G657 VanDerWaalsContact CG1-O 3.31Å; I607-G657 WeakPolarHBondContact CG1-O 3.5Å; I607-G657 PolarHBondContact N-O 2.95Å; I607-G658 CarbonylContact O-C 3.56Å; I607-G658 VanDerWaalsContact O-CA 3.28Å; I607-G658 WeakPolarHBondContact O-CA 3.3Å; I607-G659 PolarHBondContact O-N 2.81Å; I607-G659 VanDerWaalsContact O-O 3.14Å |
| 608 | D | 88.6 | Confident | 75.6 | Confident | 85 Ų | 85 | 66.3 Ų | 66.3 | 46% | 0.455 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 102.8 | 176.4 | -177.4 | 5.6 | 0 | 0 | 0 | 109.2 | S585 P606 S610 | S585-D608 WeakPolarHBondContact CB-O 3.17Å; P606-D608 PolarHBondContact O-N 3.27Å; D608-S610 WeakPolarHBondContact OD1-CB 3.37Å; D608-S610 PolarHBondContact OD1-N 3.33Å; D608-S610 PolarHBondContact OD1-OG 3.42Å; D608-S610 PolarHBondContact OD2-OG 3.42Å |
| 609 | N | 89 | Confident | 73.2 | Confident | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 39% | 0.392 | C | S | . | . | trans | -99 | 17.1 | 177.3 | -77 | -12.6 | 0 | 0 | 0 | 112 | A583 V584 S585 D611 I612 G659 P660 I662 | A583-N609 PolarHBondContact O-ND2 2.81Å; V584-N609 WeakPolarHBondContact CA-OD1 3.32Å; S585-N609 PolarHBondContact N-OD1 2.89Å; N609-D611 VanDerWaalsContact C-N 3.31Å; N609-D611 PolarHBondContact O-N 2.86Å; N609-I612 HydrophobicContact CB-CD1 3.9Å; N609-I612 HydrophobicContact CB-CG1 4.34Å; N609-I612 PolarHBondContact O-N 3.21Å; N609-G659 PolarHBondContact N-O 3.07Å; N609-P660 HydrophobicContact CB-CG 3.96Å; N609-P660 WeakPolarHBondContact CB-O 3.37Å; N609-P660 PolarHBondContact ND2-O 3.47Å; N609-I662 HydrophobicContact CB-CD1 4.35Å | ||
| 610 | S | 84.6 | Confident | 70.6 | Confident | 64 Ų | 64 | 73.1 Ų | 73.1 | 45% | 0.448 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -70.7 | -25.9 | -176 | 67 | 0 | 0 | 0 | 0 | 113.7 | D608 M613 A614 | D608-S610 WeakPolarHBondContact OD1-CB 3.37Å; D608-S610 PolarHBondContact OD1-N 3.33Å; D608-S610 PolarHBondContact OD1-OG 3.42Å; D608-S610 PolarHBondContact OD2-OG 3.42Å; S610-M613 PolarHBondContact O-N 3.24Å; S610-A614 PolarHBondContact O-N 3.41Å |
| 611 | D | 81.4 | Confident | 68 | Low | 45 Ų | 45 | 75.6 Ų | 75.6 | 24% | 0.241 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -67.1 | -34 | 174 | 60.6 | -13.2 | 0 | 0 | 0 | 113 | S585 N609 M613 A614 | S585-D611 WeakPolarHBondContact CB-OD1 3.43Å; S585-D611 WeakPolarHBondContact CB-OD2 3.49Å; S585-D611 PolarHBondContact OG-OD1 2.86Å; S585-D611 PolarHBondContact OG-OD2 2.74Å; N609-D611 VanDerWaalsContact C-N 3.31Å; N609-D611 PolarHBondContact O-N 2.86Å; D611-M613 PolarHBondContact O-N 3.26Å; D611-A614 WeakPolarHBondContact O-CB 3.3Å; D611-A614 PolarHBondContact O-N 3.05Å |
| 612 | I | 82.3 | Confident | 65.5 | Low | 4 Ų | 4 | 81.4 Ų | 81.4 | 2% | 0.021 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -59.5 | -47.8 | 173.8 | -47.1 | -175.6 | 0 | 0 | 0 | 110 | A583 N609 A614 M636 Y641 I662 | A583-I612 HydrophobicContact CB-CD1 4.16Å; N609-I612 HydrophobicContact CB-CD1 3.9Å; N609-I612 HydrophobicContact CB-CG1 4.34Å; N609-I612 PolarHBondContact O-N 3.21Å; I612-A614 VanDerWaalsContact C-N 3.32Å; I612-A614 PolarHBondContact O-N 2.63Å; I612-M636 HydrophobicContact CG2-SD 4.17Å; I612-M636 WeakPolarHBondContact O-CE 3.48Å; I612-Y641 HydrophobicContact CG2-CD1 4.3Å; I612-Y641 HydrophobicContact CG2-CG 4.27Å; I612-I662 HydrophobicContact CB-CD1 3.91Å; I612-I662 HydrophobicContact CD1-CD1 4.01Å; I612-I662 HydrophobicContact CG1-CD1 4.49Å; I612-I662 HydrophobicContact CG2-CD1 3.85Å |
| 613 | M | 65.4 | Low | 63.1 | Low | 119 Ų | 119 | 86.2 Ų | 86.2 | 59% | 0.586 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -73.7 | -19.9 | -179.8 | -70.3 | -143.5 | -80.1 | 0 | 0 | 113.9 | S610 D611 C615 N616 P660 I662 | S610-M613 PolarHBondContact O-N 3.24Å; D611-M613 PolarHBondContact O-N 3.26Å; M613-C615 PolarHBondContact O-N 3.2Å; M613-N616 PolarHBondContact O-N 2.99Å; M613-P660 HydrophobicContact CE-CB 4.15Å; M613-P660 HydrophobicContact CE-CG 3.71Å; M613-I662 HydrophobicContact CG-CD1 4.26Å |
| 614 | A | 56.8 | Low | 60.4 | Low | 54 Ų | 54 | 93.7 Ų | 93.7 | 45% | 0.446 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.9 | -23.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | S610 D611 I612 N616 | S610-A614 PolarHBondContact O-N 3.41Å; D611-A614 WeakPolarHBondContact O-CB 3.3Å; D611-A614 PolarHBondContact O-N 3.05Å; I612-A614 VanDerWaalsContact C-N 3.32Å; I612-A614 PolarHBondContact O-N 2.63Å; A614-N616 PolarHBondContact O-N 3.26Å; A614-N616 VanDerWaalsContact O-N 3.14Å |
| 615 | C | 49.1 | Very low | 58.1 | Low | 58 Ų | 58 | 98 Ų | 98 | 39% | 0.392 | 52% | 0.523 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -6.3 | 179.1 | -103.2 | 0 | 0 | 0 | 0 | 115.7 | M613 M636 P637 | M613-C615 PolarHBondContact O-N 3.2Å; C615-M636 HydrophobicContact CB-CE 3.39Å; C615-P637 VanDerWaalsContact SG-CG 3.57Å |
| 616 | N | 42.3 | Very low | 55.4 | Low | 57 Ų | 57 | 99.9 Ų | 99.9 | 31% | 0.305 | 54% | 0.542 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.8 | 7.6 | -174.7 | -130.6 | -25.3 | 0 | 0 | 0 | 115 | M613 A614 S618 | M613-N616 PolarHBondContact O-N 2.99Å; A614-N616 PolarHBondContact O-N 3.26Å; A614-N616 VanDerWaalsContact O-N 3.14Å; N616-S618 VanDerWaalsContact C-N 3.28Å; N616-S618 PolarHBondContact O-N 3.04Å |
| 617 | K | 45.4 | Very low | 52.5 | Low | 190 Ų | 190 | 102.9 Ų | 102.9 | 83% | 0.826 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | -8.5 | -175.7 | -81.2 | -177.9 | 176.3 | 173.6 | 0 | 115.6 | ||
| 618 | S | 40.2 | Very low | 49.6 | Very low | 110 Ų | 110 | 110 Ų | 110 | 77% | 0.769 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | -7.9 | 178.5 | 56.5 | 0 | 0 | 0 | 0 | 114.9 | N616 | N616-S618 VanDerWaalsContact C-N 3.28Å; N616-S618 PolarHBondContact O-N 3.04Å |
| 619 | L | 37.3 | Very low | 46.8 | Very low | 127 Ų | 127 | 112.7 Ų | 112.7 | 67% | 0.665 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -115.5 | -7.1 | -165.8 | -91.4 | 162.2 | 0 | 0 | 0 | 117 | ||
| 620 | Y | 32.9 | Very low | 44.2 | Very low | 179 Ų | 179 | 122.5 Ų | 122.5 | 70% | 0.702 | 64% | 0.642 | S | S | * | * | trans | -121.7 | 79.3 | -174.2 | -68.9 | -78.7 | 0 | 0 | 0 | 113.8 | ||||
| 621 | S | 32.3 | Very low | 41.9 | Very low | 99 Ų | 99 | 122.7 Ų | 122.7 | 69% | 0.692 | 64% | 0.642 | S | S | * | * | trans | -91.3 | 145.8 | 150.9 | 85.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 622 | Y | 30.2 | Very low | 40 | Very low | 220 Ų | 220 | 126.1 Ų | 126.1 | 86% | 0.863 | 66% | 0.664 | S | S | * | * | trans | 50.5 | 98 | 170.7 | -70.7 | -88.7 | 0 | 0 | 0 | 118.2 | ||||
| 623 | R | 31.1 | Very low | 38.3 | Very low | 234 Ų | 234 | 128.1 Ų | 128.1 | 88% | 0.883 | 68% | 0.675 | S | S | * | * | -177.5 | 132.6 | 106 | -98.7 | 164.1 | -178.9 | -177.2 | 0.9 | 113.6 | S625 | R623-S625 PolarHBondContact O-N 3.4Š| |||
| 624 | N | 30.3 | Very low | 37.3 | Very low | 176 Ų | 176 | 127.9 Ų | 127.9 | 94% | 0.941 | 69% | 0.685 | S | S | * | * | trans | -72.8 | 108.2 | 163.3 | -90.8 | -20.7 | 0 | 0 | 0 | 110.2 | ||||
| 625 | S | 36.4 | Very low | 37 | Very low | 103 Ų | 103 | 129.9 Ų | 129.9 | 72% | 0.72 | 70% | 0.696 | S | S | * | * | trans | -165.1 | 122.1 | 153.4 | 51.6 | 0 | 0 | 0 | 0 | 108.8 | R623 L627 | R623-S625 PolarHBondContact O-N 3.4Å; S625-L627 PolarHBondContact O-N 3.44Å | ||
| 626 | G | 27.3 | Very low | 36.9 | Very low | 81 Ų | 81 | 128.7 Ų | 128.7 | 84% | 0.835 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -71 | 113 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 627 | L | 29.2 | Very low | 37.4 | Very low | 153 Ų | 153 | 129.3 Ų | 129.3 | 80% | 0.801 | 69% | 0.692 | S | S | * | * | trans | 176.1 | 96 | 153.1 | -100 | 155 | 0 | 0 | 0 | 106.7 | S625 N629 | S625-L627 PolarHBondContact O-N 3.44Å; L627-N629 PolarHBondContact O-N 2.9Å; L627-N629 VanDerWaalsContact O-N 3.07Å | ||
| 628 | I | 30.1 | Very low | 37.8 | Very low | 153 Ų | 153 | 128 Ų | 128 | 79% | 0.785 | 69% | 0.693 | S | S | * | * | trans | -80.3 | 90.4 | 175.4 | -57.8 | 178 | 0 | 0 | 0 | 107.6 | ||||
| 629 | N | 30.2 | Very low | 39.1 | Very low | 140 Ų | 140 | 124.8 Ų | 124.8 | 75% | 0.749 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 123 | 161.7 | -84.7 | -7.9 | 0 | 0 | 0 | 108.3 | L627 | L627-N629 PolarHBondContact O-N 2.9Å; L627-N629 VanDerWaalsContact O-N 3.07Å |
| 630 | Y | 34.3 | Very low | 41.1 | Very low | 207 Ų | 207 | 122.4 Ų | 122.4 | 81% | 0.812 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 127 | 173.3 | -55.6 | -85.5 | 0 | 0 | 0 | 109.9 | ||
| 631 | P | 36.3 | Very low | 43.6 | Very low | 68 Ų | 68 | 114.4 Ų | 114.4 | 44% | 0.442 | 63% | 0.634 | S | S | . | * | P | Polyproline II helix | trans | -62.8 | 138.7 | 167.7 | -16 | 29.7 | 0 | 0 | 0 | 109.2 | L633 | P631-L633 PolarHBondContact O-N 2.83Š|
| 632 | T | 41.2 | Very low | 46.2 | Very low | 116 Ų | 116 | 110.8 Ų | 110.8 | 71% | 0.712 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -54 | 128.5 | 168.6 | 41.2 | 0 | 0 | 0 | 0 | 109.8 | S634 | T632-S634 PolarHBondContact O-N 3.44Š|
| 633 | L | 45.5 | Very low | 49 | Very low | 47 Ų | 47 | 105.7 Ų | 105.7 | 25% | 0.246 | 59% | 0.586 | C | S | . | * | S | Bend | trans | -62.5 | 3.6 | -169.6 | -103.5 | 92 | 0 | 0 | 0 | 116.4 | P631 S635 M636 Y641 I662 V664 | P631-L633 PolarHBondContact O-N 2.83Å; L633-S635 PolarHBondContact O-N 3.37Å; L633-M636 HydrophobicContact CG-CG 4.42Å; L633-M636 PolarHBondContact O-N 3.12Å; L633-Y641 HydrophobicContact CD2-CE2 4.48Å; L633-I662 HydrophobicContact CD1-CG2 4.35Å; L633-I662 HydrophobicContact CD2-CG2 4.4Å; L633-V664 HydrophobicContact CD2-CG2 3.86Å |
| 634 | S | 45.6 | Very low | 51.7 | Low | 113 Ų | 113 | 95.4 Ų | 95.4 | 79% | 0.79 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | 9.8 | -172.9 | 58.6 | 0 | 0 | 0 | 0 | 115.9 | T632 | T632-S634 PolarHBondContact O-N 3.44Š|
| 635 | S | 49.1 | Very low | 54.4 | Low | 97 Ų | 97 | 87.6 Ų | 87.6 | 68% | 0.678 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -134.6 | 14.7 | -178.4 | 73.5 | 0 | 0 | 0 | 0 | 114.5 | L633 | L633-S635 PolarHBondContact O-N 3.37Š|
| 636 | M | 48.8 | Very low | 56.9 | Low | 32 Ų | 32 | 84 Ų | 84 | 16% | 0.158 | 48% | 0.484 | C | S | . | . | S | Bend | trans | -84.4 | 138.8 | 173.7 | -62 | -119.2 | 67.1 | 0 | 0 | 110.3 | I612 C615 L633 L638 Y641 | I612-M636 HydrophobicContact CG2-SD 4.17Å; I612-M636 WeakPolarHBondContact O-CE 3.48Å; C615-M636 HydrophobicContact CB-CE 3.39Å; L633-M636 HydrophobicContact CG-CG 4.42Å; L633-M636 PolarHBondContact O-N 3.12Å; M636-L638 PolarHBondContact O-N 2.71Å; M636-Y641 HydrophobicContact CB-CE1 3.78Å |
| 637 | P | 51.7 | Low | 59.8 | Low | 71 Ų | 71 | 83.5 Ų | 83.5 | 46% | 0.461 | 46% | 0.461 | S | S | . | . | trans | -63.6 | 130.2 | 174.5 | 25.5 | -32.3 | 0 | 0 | 0 | 110.8 | C615 G639 | C615-P637 VanDerWaalsContact SG-CG 3.57Å; P637-G639 PolarHBondContact O-N 3.18Å | ||
| 638 | L | 54.5 | Low | 62.7 | Low | 162 Ų | 162 | 76.6 Ų | 76.6 | 85% | 0.848 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | 29.1 | -171.1 | -95.8 | 77.2 | 0 | 0 | 0 | 115.4 | M636 | M636-L638 PolarHBondContact O-N 2.71Š|
| 639 | G | 66.4 | Low | 65.6 | Low | 43 Ų | 43 | 70 Ų | 70 | 44% | 0.443 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.9 | -25.7 | -172.1 | 0 | 0 | 0 | 0 | 0 | 117 | K586 P637 | K586-G639 WeakPolarHBondContact CD-O 3.35Å; P637-G639 PolarHBondContact O-N 3.18Å |
| 640 | N | 79.6 | Confident | 68.4 | Low | 76 Ų | 76 | 66 Ų | 66 | 41% | 0.406 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -101.7 | -7 | -165.2 | -67 | 6.1 | 0 | 0 | 0 | 114.5 | K586 | K586-N640 PolarHBondContact N-O 2.72Š|
| 641 | Y | 86.1 | Confident | 71.1 | Confident | 12 Ų | 12 | 57.5 Ų | 57.5 | 5% | 0.047 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 156.8 | -173.2 | 69.4 | -80.9 | 0 | 0 | 0 | 110.4 | A583 V584 I612 L633 M636 Y643 | A583-Y641 HydrophobicContact CB-CD2 3.7Å; A583-Y641 HydrophobicContact CB-CE2 4.41Å; A583-Y641 HydrophobicContact CB-CG 4.39Å; V584-Y641 CarbonylContact O-C 3.55Å; V584-Y641 WeakPolarHBondContact O-CA 3.12Å; V584-Y641 WeakPolarHBondContact O-CB 3.25Å; I612-Y641 HydrophobicContact CG2-CD1 4.3Å; I612-Y641 HydrophobicContact CG2-CG 4.27Å; L633-Y641 HydrophobicContact CD2-CE2 4.48Å; M636-Y641 HydrophobicContact CB-CE1 3.78Å; Y641-Y643 AromaticContact CE2-CE1 3.83Å; Y641-Y643 HydrophobicContact CE2-CE1 3.83Å; Y641-Y643 HydrophobicContact CE2-CE2 4.14Å; Y641-Y643 AromaticContact CE2-CZ 3.59Å; Y641-Y643 PolarHBondContact OH-OH 2.73Å |
| 642 | E | 87 | Confident | 73.7 | Confident | 22 Ų | 22 | 54.4 Ų | 54.4 | 10% | 0.103 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 153.2 | -178.3 | -64.9 | -74 | 178.1 | 0 | 0 | 110.4 | A583 V584 K586 L589 W751 | A583-E642 WeakPolarHBondContact CA-O 3.48Å; V584-E642 PolarHBondContact N-O 3.21Å; V584-E642 PolarHBondContact O-N 3.12Å; K586-E642 HydrophobicContact CB-CG 4.27Å; K586-E642 HydrophobicContact CD-CG 4.44Å; K586-E642 HydrophobicContact CG-CG 4.25Å; K586-E642 IonicContact NZ-OE1 3.26Å; K586-E642 PolarHBondContact NZ-OE1 2.85Å; L589-E642 HydrophobicContact CD2-CB 4.11Å; L589-E642 HydrophobicContact CD2-CG 4.42Å; E642-W751 HydrophobicContact CB-CH2 3.4Å; E642-W751 VanDerWaalsContact CB-CH2 3.4Å; E642-W751 HydrophobicContact CB-CZ2 4.11Å; E642-W751 HydrophobicContact CB-CZ3 4.28Å; E642-W751 HydrophobicContact CG-CH2 3.41Å; E642-W751 VanDerWaalsContact CG-CH2 3.41Å; E642-W751 HydrophobicContact CG-CZ2 4.39Å; E642-W751 HydrophobicContact CG-CZ3 3.8Å |
| 643 | Y | 87.9 | Confident | 76 | Confident | 114 Ų | 114 | 52.6 Ų | 52.6 | 45% | 0.447 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 127.8 | -179.8 | -59.4 | -77 | 0 | 0 | 0 | 111.6 | Y582 Y641 V664 | Y582-Y643 WeakPolarHBondContact O-CA 3.43Å; Y641-Y643 AromaticContact CE2-CE1 3.83Å; Y641-Y643 HydrophobicContact CE2-CE1 3.83Å; Y641-Y643 HydrophobicContact CE2-CE2 4.14Å; Y641-Y643 AromaticContact CE2-CZ 3.59Å; Y641-Y643 PolarHBondContact OH-OH 2.73Å; Y643-V664 HydrophobicContact CD1-CB 4.43Å; Y643-V664 HydrophobicContact CD1-CG2 4.27Å; Y643-V664 HydrophobicContact CE1-CB 4.17Å; Y643-V664 HydrophobicContact CE1-CG1 3.9Å; Y643-V664 HydrophobicContact CE1-CG2 3.96Å |
| 644 | V | 88 | Confident | 78.2 | Confident | 17 Ų | 17 | 56.1 Ų | 56.1 | 10% | 0.103 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 155.3 | 169.5 | -55.7 | 0 | 0 | 0 | 0 | 110.3 | S581 Y582 V584 V648 W649 | S581-V644 CarbonylContact C-O 3.5Å; S581-V644 WeakPolarHBondContact CA-O 3.43Å; Y582-V644 PolarHBondContact N-O 3.13Å; Y582-V644 PolarHBondContact O-N 2.77Å; V584-V644 HydrophobicContact CG2-CB 4.44Å; V584-V644 HydrophobicContact CG2-CG1 3.92Å; V584-V644 HydrophobicContact CG2-CG2 3.62Å; V644-V648 HydrophobicContact CB-CB 4.06Å; V644-V648 HydrophobicContact CB-CG1 3.84Å; V644-V648 HydrophobicContact CG1-CG1 4.12Å; V644-V648 HydrophobicContact CG2-CG1 4.42Å; V644-W649 HydrophobicContact CG2-CB 3.88Å |
| 645 | S | 88.1 | Confident | 80.2 | Confident | 13 Ų | 13 | 52 Ų | 52 | 9% | 0.091 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 164.7 | 175.1 | 85.3 | 0 | 0 | 0 | 0 | 111.7 | V575 E647 V648 W649 | V575-S645 WeakPolarHBondContact CG2-OG 3.49Å; S645-E647 WeakPolarHBondContact CB-OE2 3.44Å; S645-E647 PolarHBondContact O-N 2.74Å; S645-E647 PolarHBondContact OG-N 3.42Å; S645-E647 PolarHBondContact OG-OE2 2.65Å; S645-V648 PolarHBondContact O-N 3.28Å; S645-V648 PolarHBondContact OG-N 2.68Å; S645-W649 WeakPolarHBondContact O-CB 3.29Å; S645-W649 PolarHBondContact O-N 2.81Å |
| 646 | A | 87.5 | Confident | 82.1 | Confident | 26 Ų | 26 | 48.6 Ų | 48.6 | 22% | 0.215 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -56 | -36.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | T580 Y582 S650 | T580-A646 WeakPolarHBondContact O-CB 3.24Å; T580-A646 PolarHBondContact O-N 2.96Å; Y582-A646 HydrophobicContact CD2-CB 4.37Å; Y582-A646 HydrophobicContact CE2-CB 3.8Å; A646-S650 WeakPolarHBondContact O-CB 3.43Å; A646-S650 PolarHBondContact O-N 2.88Å |
| 647 | E | 88.6 | Confident | 84.1 | Confident | 72 Ų | 72 | 48 Ų | 48 | 34% | 0.336 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -73.8 | -42.3 | -178.5 | -51.4 | 74.5 | -160.7 | 0 | 0 | 110.8 | V571 S645 S650 L651 | V571-E647 VanDerWaalsContact CG1-C 3.5Å; V571-E647 HydrophobicContact CG1-CB 3.29Å; S645-E647 WeakPolarHBondContact CB-OE2 3.44Å; S645-E647 PolarHBondContact O-N 2.74Å; S645-E647 PolarHBondContact OG-N 3.42Å; S645-E647 PolarHBondContact OG-OE2 2.65Å; E647-S650 PolarHBondContact O-N 2.72Å; E647-L651 PolarHBondContact O-N 2.77Å |
| 648 | V | 90.7 | Very high | 85.7 | Confident | 8 Ų | 8 | 46.8 Ų | 46.8 | 5% | 0.048 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.9 | -43.9 | 174.2 | 176.9 | 0 | 0 | 0 | 0 | 110.9 | I568 V571 S572 V644 S645 S650 L651 L652 | I568-V648 HydrophobicContact CG2-CG1 4.3Å; V571-V648 HydrophobicContact CG1-CG2 3.88Å; S572-V648 VanDerWaalsContact OG-CG2 3.3Å; S572-V648 WeakPolarHBondContact OG-CG2 3.24Å; V644-V648 HydrophobicContact CB-CB 4.06Å; V644-V648 HydrophobicContact CB-CG1 3.84Å; V644-V648 HydrophobicContact CG1-CG1 4.12Å; V644-V648 HydrophobicContact CG2-CG1 4.42Å; S645-V648 PolarHBondContact O-N 3.28Å; S645-V648 PolarHBondContact OG-N 2.68Å; V648-S650 VanDerWaalsContact C-N 3.33Å; V648-S650 PolarHBondContact O-N 3.09Å; V648-L651 PolarHBondContact O-N 2.96Å; V648-L652 HydrophobicContact CG1-CD1 3.92Å; V648-L652 HydrophobicContact CG1-CG 4.38Å; V648-L652 WeakPolarHBondContact O-CG 3.43Å; V648-L652 PolarHBondContact O-N 3.16Å |
| 649 | W | 90.1 | Very high | 87.1 | Confident | 13 Ų | 13 | 39.9 Ų | 39.9 | 5% | 0.049 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -57.2 | -46.9 | 172.6 | 173.3 | -95.6 | 0 | 0 | 0 | 111.3 | Y582 V584 I607 V644 S645 L651 L652 F653 T661 | Y582-W649 AromaticContact CD1-CD1 3.99Å; Y582-W649 HydrophobicContact CD1-CD2 4.11Å; Y582-W649 AromaticContact CD1-CG 3.98Å; Y582-W649 HydrophobicContact CD1-CG 3.98Å; Y582-W649 HydrophobicContact CD2-CB 3.64Å; Y582-W649 AromaticContact CD2-CG 3.79Å; Y582-W649 HydrophobicContact CD2-CG 3.79Å; Y582-W649 HydrophobicContact CE1-CG 4.49Å; Y582-W649 HydrophobicContact CE2-CB 4.35Å; Y582-W649 HydrophobicContact CE2-CG 4.34Å; Y582-W649 HydrophobicContact CG-CB 3.82Å; Y582-W649 AromaticContact CG-CD1 3.97Å; Y582-W649 AromaticContact CG-CD2 3.96Å; Y582-W649 HydrophobicContact CG-CD2 3.96Å; Y582-W649 HydrophobicContact CG-CE3 4.48Å; Y582-W649 AromaticContact CG-CG 3.59Å; Y582-W649 HydrophobicContact CG-CG 3.59Å; V584-W649 HydrophobicContact CG2-CE3 3.85Å; V584-W649 HydrophobicContact CG2-CZ3 3.98Å; I607-W649 HydrophobicContact CD1-CH2 4.31Å; I607-W649 HydrophobicContact CD1-CZ3 4.25Å; I607-W649 HydrophobicContact CG2-CH2 4.29Å; I607-W649 HydrophobicContact CG2-CZ3 4.21Å; V644-W649 HydrophobicContact CG2-CB 3.88Å; S645-W649 WeakPolarHBondContact O-CB 3.29Å; S645-W649 PolarHBondContact O-N 2.81Å; W649-L651 VanDerWaalsContact C-N 3.31Å; W649-L651 PolarHBondContact O-N 2.99Å; W649-L652 PolarHBondContact O-N 3.2Å; W649-F653 HydrophobicContact CH2-CD2 4.46Å; W649-F653 HydrophobicContact CZ2-CB 4.39Å; W649-F653 AromaticContact CZ2-CD2 3.67Å; W649-F653 HydrophobicContact CZ2-CD2 3.67Å; W649-F653 HydrophobicContact CZ2-CE2 4.38Å; W649-F653 HydrophobicContact CZ2-CG 4.34Å; W649-F653 WeakPolarHBondContact O-CB 3.37Å; W649-F653 PolarHBondContact O-N 3.23Å; W649-T661 HydrophobicContact CZ2-CG2 3.81Å; W649-T661 WeakPolarHBondContact CZ2-OG1 3.42Å |
| 650 | S | 89.8 | Confident | 88 | Confident | 56 Ų | 56 | 40 Ų | 40 | 39% | 0.392 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.1 | -38.4 | 178.7 | -172.5 | 0 | 0 | 0 | 0 | 112.1 | A646 E647 V648 N654 | A646-S650 WeakPolarHBondContact O-CB 3.43Å; A646-S650 PolarHBondContact O-N 2.88Å; E647-S650 PolarHBondContact O-N 2.72Å; V648-S650 VanDerWaalsContact C-N 3.33Å; V648-S650 PolarHBondContact O-N 3.09Å; S650-N654 WeakPolarHBondContact O-CB 3.42Å; S650-N654 PolarHBondContact O-N 3.35Å; S650-N654 PolarHBondContact O-ND2 2.88Å; S650-N654 VanDerWaalsContact O-ND2 3.09Å |
| 651 | L | 90.3 | Very high | 88.3 | Confident | 30 Ų | 30 | 40 Ų | 40 | 16% | 0.157 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.3 | -51.1 | 177.8 | -180 | 55.8 | 0 | 0 | 0 | 111.4 | E567 I568 V571 E647 V648 W649 F653 N654 I655 | E567-L651 HydrophobicContact CB-CD2 3.85Å; I568-L651 HydrophobicContact CD1-CD2 4.49Å; I568-L651 HydrophobicContact CG1-CD2 3.54Å; I568-L651 HydrophobicContact CG1-CG 4.19Å; V571-L651 HydrophobicContact CG2-CD2 4.02Å; E647-L651 PolarHBondContact O-N 2.77Å; V648-L651 PolarHBondContact O-N 2.96Å; W649-L651 VanDerWaalsContact C-N 3.31Å; W649-L651 PolarHBondContact O-N 2.99Å; L651-F653 PolarHBondContact O-N 2.91Å; L651-N654 PolarHBondContact O-N 3.09Å; L651-I655 HydrophobicContact CD1-CD1 3.81Å; L651-I655 HydrophobicContact CD1-CG1 4.34Å; L651-I655 HydrophobicContact CG-CD1 4.07Å; L651-I655 WeakPolarHBondContact O-CG1 3.47Å; L651-I655 PolarHBondContact O-N 3.47Å |
| 652 | L | 91.7 | Very high | 88.4 | Confident | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -57.9 | -46.5 | 176.5 | -71.3 | 171.2 | 0 | 0 | 0 | 111.6 | I568 W588 W592 I607 V648 W649 N654 I655 Y656 | I568-L652 HydrophobicContact CD1-CD2 3.47Å; I568-L652 VanDerWaalsContact CD1-CD2 3.47Å; I568-L652 HydrophobicContact CD1-CG 4.02Å; W588-L652 HydrophobicContact CH2-CD2 3.87Å; W588-L652 HydrophobicContact CZ3-CD1 4.42Å; W588-L652 HydrophobicContact CZ3-CD2 3.95Å; W592-L652 HydrophobicContact CD2-CD2 4.48Å; I607-L652 HydrophobicContact CD1-CB 3.96Å; V648-L652 HydrophobicContact CG1-CD1 3.92Å; V648-L652 HydrophobicContact CG1-CG 4.38Å; V648-L652 WeakPolarHBondContact O-CG 3.43Å; V648-L652 PolarHBondContact O-N 3.16Å; W649-L652 PolarHBondContact O-N 3.2Å; L652-N654 VanDerWaalsContact C-N 3.35Å; L652-N654 PolarHBondContact O-N 3.36Å; L652-I655 PolarHBondContact O-N 2.98Å; L652-Y656 HydrophobicContact CD2-CD2 4.48Å; L652-Y656 HydrophobicContact CD2-CE2 4.47Å; L652-Y656 WeakPolarHBondContact O-CB 3.41Å; L652-Y656 PolarHBondContact O-N 2.86Å |
| 653 | F | 89.5 | Confident | 88.1 | Confident | 78 Ų | 78 | 42.9 Ų | 42.9 | 34% | 0.342 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -66.4 | -33.9 | 179.1 | -174.1 | -93 | 0 | 0 | 0 | 112.6 | W649 L651 G657 G658 | W649-F653 HydrophobicContact CH2-CD2 4.46Å; W649-F653 HydrophobicContact CZ2-CB 4.39Å; W649-F653 AromaticContact CZ2-CD2 3.67Å; W649-F653 HydrophobicContact CZ2-CD2 3.67Å; W649-F653 HydrophobicContact CZ2-CE2 4.38Å; W649-F653 HydrophobicContact CZ2-CG 4.34Å; W649-F653 WeakPolarHBondContact O-CB 3.37Å; W649-F653 PolarHBondContact O-N 3.23Å; L651-F653 PolarHBondContact O-N 2.91Å; F653-G657 WeakPolarHBondContact O-CA 3.33Å; F653-G657 PolarHBondContact O-N 3.19Å; F653-G658 WeakPolarHBondContact CE2-O 3.36Å |
| 654 | N | 90.3 | Very high | 87.6 | Confident | 122 Ų | 122 | 38.4 Ų | 38.4 | 65% | 0.652 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -70.4 | -32.9 | 175.1 | -74.4 | -18.9 | 0 | 0 | 0 | 112.6 | S650 L651 L652 | S650-N654 WeakPolarHBondContact O-CB 3.42Å; S650-N654 PolarHBondContact O-N 3.35Å; S650-N654 PolarHBondContact O-ND2 2.88Å; S650-N654 VanDerWaalsContact O-ND2 3.09Å; L651-N654 PolarHBondContact O-N 3.09Å; L652-N654 VanDerWaalsContact C-N 3.35Å; L652-N654 PolarHBondContact O-N 3.36Å |
| 655 | I | 87.9 | Confident | 86.2 | Confident | 25 Ų | 25 | 42.8 Ų | 42.8 | 13% | 0.128 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -78.6 | -49 | 178 | -64.5 | 165.7 | 0 | 0 | 0 | 111 | E564 L651 L652 | E564-I655 HydrophobicContact CG-CD1 4.33Å; L651-I655 HydrophobicContact CD1-CD1 3.81Å; L651-I655 HydrophobicContact CD1-CG1 4.34Å; L651-I655 HydrophobicContact CG-CD1 4.07Å; L651-I655 WeakPolarHBondContact O-CG1 3.47Å; L651-I655 PolarHBondContact O-N 3.47Å; L652-I655 PolarHBondContact O-N 2.98Å |
| 656 | Y | 90.6 | Very high | 84.5 | Confident | 26 Ų | 26 | 48.9 Ų | 48.9 | 10% | 0.102 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -106.3 | -25.8 | -167.7 | -67.4 | -76.3 | 0 | 0 | 0 | 114.5 | E564 W588 W592 A603 P604 P606 L652 | E564-Y656 PolarHBondContact OE2-OH 2.83Å; W588-Y656 AromaticContact CH2-CD2 3.6Å; W588-Y656 HydrophobicContact CH2-CD2 3.6Å; W588-Y656 AromaticContact CH2-CE2 3.8Å; W588-Y656 HydrophobicContact CH2-CE2 3.8Å; W588-Y656 HydrophobicContact CH2-CG 4.09Å; W588-Y656 HydrophobicContact CZ2-CD1 4.04Å; W588-Y656 AromaticContact CZ2-CD2 3.66Å; W588-Y656 HydrophobicContact CZ2-CD2 3.66Å; W588-Y656 HydrophobicContact CZ2-CE1 4.42Å; W588-Y656 HydrophobicContact CZ2-CE2 4.05Å; W588-Y656 AromaticContact CZ2-CG 3.64Å; W588-Y656 HydrophobicContact CZ2-CG 3.64Å; W592-Y656 AromaticContact CD1-CE2 3.7Å; W592-Y656 AromaticContact CD1-CZ 3.87Å; W592-Y656 AromaticContact NE1-CE2 3.99Å; A603-Y656 HydrophobicContact CB-CE1 4.11Å; P604-Y656 WeakPolarHBondContact CD-OH 3.25Å; P604-Y656 HydrophobicContact CG-CD1 4.39Å; P604-Y656 HydrophobicContact CG-CE1 3.69Å; P604-Y656 HydrophobicContact CG-CE2 4.42Å; P604-Y656 WeakPolarHBondContact O-CD1 3.49Å; P604-Y656 WeakPolarHBondContact O-CE1 3.19Å; P606-Y656 WeakPolarHBondContact CA-O 3.44Å; L652-Y656 HydrophobicContact CD2-CD2 4.48Å; L652-Y656 HydrophobicContact CD2-CE2 4.47Å; L652-Y656 WeakPolarHBondContact O-CB 3.41Å; L652-Y656 PolarHBondContact O-N 2.86Å |
| 657 | G | 89.6 | Confident | 82.1 | Confident | 21 Ų | 21 | 53 Ų | 53 | 22% | 0.216 | 32% | 0.319 | C | S | . | . | trans | 59.6 | -151.9 | -166.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | I607 F653 | I607-G657 WeakPolarHBondContact CB-O 3.42Å; I607-G657 VanDerWaalsContact CG1-O 3.31Å; I607-G657 WeakPolarHBondContact CG1-O 3.5Å; I607-G657 PolarHBondContact N-O 2.95Å; F653-G657 WeakPolarHBondContact O-CA 3.33Å; F653-G657 PolarHBondContact O-N 3.19Å | ||
| 658 | G | 86.4 | Confident | 79.5 | Confident | 44 Ų | 44 | 55.5 Ų | 55.5 | 45% | 0.454 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 101.8 | -151.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | I607 F653 | I607-G658 CarbonylContact O-C 3.56Å; I607-G658 VanDerWaalsContact O-CA 3.28Å; I607-G658 WeakPolarHBondContact O-CA 3.3Å; F653-G658 WeakPolarHBondContact CE2-O 3.36Å |
| 659 | G | 82.3 | Confident | 76.7 | Confident | 18 Ų | 18 | 64.4 Ų | 64.4 | 19% | 0.186 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 153 | -168.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | I607 N609 | I607-G659 PolarHBondContact O-N 2.81Å; I607-G659 VanDerWaalsContact O-O 3.14Å; N609-G659 PolarHBondContact N-O 3.07Å |
| 660 | P | 86.5 | Confident | 73.9 | Confident | 44 Ų | 44 | 68.2 Ų | 68.2 | 29% | 0.286 | 41% | 0.408 | S | S | . | . | cis | -63.2 | 148.9 | -7 | 29.1 | -39.5 | 0 | 0 | 0 | 113.4 | N609 M613 I662 | N609-P660 HydrophobicContact CB-CG 3.96Å; N609-P660 WeakPolarHBondContact CB-O 3.37Å; N609-P660 PolarHBondContact ND2-O 3.47Å; M613-P660 HydrophobicContact CE-CB 4.15Å; M613-P660 HydrophobicContact CE-CG 3.71Å; P660-I662 HydrophobicContact CG-CD1 4.29Å; P660-I662 HydrophobicContact CG-CG1 4.3Å; P660-I662 PolarHBondContact O-N 2.81Å | ||
| 661 | T | 86.7 | Confident | 71.1 | Confident | 76 Ų | 76 | 70.9 Ų | 70.9 | 47% | 0.466 | 43% | 0.427 | S | S | . | . | trans | -71.4 | 124.1 | 166.8 | -53.1 | 0 | 0 | 0 | 0 | 109.7 | Y582 W649 | Y582-T661 HydrophobicContact CD1-CG2 3.62Å; Y582-T661 HydrophobicContact CE1-CG2 3.45Å; Y582-T661 VanDerWaalsContact CE1-CG2 3.45Å; W649-T661 HydrophobicContact CZ2-CG2 3.81Å; W649-T661 WeakPolarHBondContact CZ2-OG1 3.42Å | ||
| 662 | I | 86.2 | Confident | 68.2 | Low | 23 Ų | 23 | 74.7 Ų | 74.7 | 12% | 0.118 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 99.8 | -179.8 | -57.1 | -179.5 | 0 | 0 | 0 | 108.7 | Y582 A583 N609 I612 M613 L633 P660 | Y582-I662 CarbonylContact C-O 3.54Å; Y582-I662 VanDerWaalsContact CA-O 3.25Å; Y582-I662 WeakPolarHBondContact CA-O 3.47Å; A583-I662 HydrophobicContact CB-CB 4.16Å; A583-I662 HydrophobicContact CB-CG2 4.04Å; A583-I662 PolarHBondContact N-O 3.43Å; N609-I662 HydrophobicContact CB-CD1 4.35Å; I612-I662 HydrophobicContact CB-CD1 3.91Å; I612-I662 HydrophobicContact CD1-CD1 4.01Å; I612-I662 HydrophobicContact CG1-CD1 4.49Å; I612-I662 HydrophobicContact CG2-CD1 3.85Å; M613-I662 HydrophobicContact CG-CD1 4.26Å; L633-I662 HydrophobicContact CD1-CG2 4.35Å; L633-I662 HydrophobicContact CD2-CG2 4.4Å; P660-I662 HydrophobicContact CG-CD1 4.29Å; P660-I662 HydrophobicContact CG-CG1 4.3Å; P660-I662 PolarHBondContact O-N 2.81Å |
| 663 | S | 82.4 | Confident | 65.4 | Low | 73 Ų | 73 | 82 Ų | 82 | 51% | 0.51 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 139.8 | 178 | 57.7 | 0 | 0 | 0 | 0 | 111.9 | ||
| 664 | V | 76.3 | Confident | 62.7 | Low | 20 Ų | 20 | 85.2 Ų | 85.2 | 12% | 0.121 | 52% | 0.515 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 120.7 | -179.3 | -168.5 | 0 | 0 | 0 | 0 | 109.5 | S581 A583 L633 Y643 | S581-V664 PolarHBondContact N-O 3.39Å; S581-V664 PolarHBondContact O-N 2.74Å; A583-V664 HydrophobicContact CB-CG2 4.36Å; L633-V664 HydrophobicContact CD2-CG2 3.86Å; Y643-V664 HydrophobicContact CD1-CB 4.43Å; Y643-V664 HydrophobicContact CD1-CG2 4.27Å; Y643-V664 HydrophobicContact CE1-CB 4.17Å; Y643-V664 HydrophobicContact CE1-CG1 3.9Å; Y643-V664 HydrophobicContact CE1-CG2 3.96Å |
| 665 | C | 59.6 | Low | 60 | Low | 108 Ų | 108 | 87.2 Ų | 87.2 | 73% | 0.73 | 53% | 0.526 | S | S | * | . | P | Polyproline II helix | trans | -93.6 | 123.3 | 173.5 | -66.6 | 0 | 0 | 0 | 0 | 109.6 | ||
| 666 | Q | 51.9 | Low | 57.3 | Low | 141 Ų | 141 | 91.2 Ų | 91.2 | 66% | 0.659 | 56% | 0.555 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 140.2 | 166.4 | -67.4 | -168.5 | -4.1 | 0 | 0 | 109.9 | T668 | Q666-T668 PolarHBondContact O-N 3.46Š|
| 667 | P | 36.4 | Very low | 54.8 | Low | 114 Ų | 114 | 97 Ų | 97 | 74% | 0.74 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 116.3 | 176.2 | 27.7 | -32.9 | 0 | 0 | 0 | 110.6 | H669 | P667-H669 PolarHBondContact O-N 2.9Å; P667-H669 VanDerWaalsContact O-N 3.13Å |
| 668 | T | 34 | Very low | 52.2 | Low | 123 Ų | 123 | 102.6 Ų | 102.6 | 76% | 0.755 | 62% | 0.618 | S | S | * | * | trans | -71.7 | 104.6 | 176 | 49.7 | 0 | 0 | 0 | 0 | 111 | Q666 S670 | Q666-T668 PolarHBondContact O-N 3.46Å; T668-S670 PolarHBondContact O-N 2.9Å; T668-S670 VanDerWaalsContact O-N 3.1Å; T668-S670 PolarHBondContact O-OG 2.84Å | ||
| 669 | H | 32.9 | Very low | 49.8 | Very low | 195 Ų | 195 | 108.1 Ų | 108.1 | 90% | 0.903 | 63% | 0.632 | S | S | * | * | trans | -59.3 | 112.9 | 163.8 | -81 | -83.9 | 0 | 0 | 0 | 109.3 | P667 | P667-H669 PolarHBondContact O-N 2.9Å; P667-H669 VanDerWaalsContact O-N 3.13Å | ||
| 670 | S | 30.1 | Very low | 47.6 | Very low | 93 Ų | 93 | 113.8 Ų | 113.8 | 65% | 0.65 | 66% | 0.658 | S | S | * | * | trans | -141.7 | 158.1 | -179.6 | 56.8 | 0 | 0 | 0 | 0 | 110.9 | T668 | T668-S670 PolarHBondContact O-N 2.9Å; T668-S670 VanDerWaalsContact O-N 3.1Å; T668-S670 PolarHBondContact O-OG 2.84Å | ||
| 671 | S | 31.3 | Very low | 45.2 | Very low | 112 Ų | 112 | 120.7 Ų | 120.7 | 78% | 0.783 | 69% | 0.687 | S | S | * | * | trans | 74.2 | 89.5 | -175.8 | 68.5 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 672 | S | 29.9 | Very low | 42.6 | Very low | 111 Ų | 111 | 122.6 Ų | 122.6 | 78% | 0.776 | 70% | 0.698 | S | S | * | * | trans | -38.6 | 141.1 | 150.2 | 50.2 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 673 | I | 33.3 | Very low | 40.2 | Very low | 156 Ų | 156 | 128.6 Ų | 128.6 | 80% | 0.8 | 73% | 0.73 | S | S | * | * | trans | -128.7 | 119.1 | 150.7 | -65.6 | -179.9 | 0 | 0 | 0 | 108 | ||||
| 674 | N | 31.5 | Very low | 38.1 | Very low | 144 Ų | 144 | 131.5 Ų | 131.5 | 77% | 0.77 | 74% | 0.74 | S | S | * | * | trans | -74.8 | 141.8 | 170.2 | -70.4 | -23.1 | 0 | 0 | 0 | 109.9 | ||||
| 675 | N | 34.1 | Very low | 36.2 | Very low | 165 Ų | 165 | 137.3 Ų | 137.3 | 88% | 0.882 | 77% | 0.77 | S | S | * | * | trans | -145.9 | 119.5 | 151.4 | -95.5 | -32.7 | 0 | 0 | 0 | 109.5 | ||||
| 676 | S | 31.3 | Very low | 35 | Very low | 108 Ų | 108 | 136.6 Ų | 136.6 | 76% | 0.755 | 77% | 0.766 | S | S | * | * | trans | -120.4 | 115.5 | -178.4 | 58.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 677 | V | 37.3 | Very low | 34 | Very low | 147 Ų | 147 | 136.8 Ų | 136.8 | 89% | 0.891 | 77% | 0.771 | S | S | * | * | trans | -140.9 | 115.1 | 154.7 | -174.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 678 | D | 36.2 | Very low | 34 | Very low | 140 Ų | 140 | 139.5 Ų | 139.5 | 75% | 0.749 | 77% | 0.774 | S | S | * | * | trans | -24.9 | 156 | 164.8 | -78 | -54.2 | 0 | 0 | 0 | 123.9 | ||||
| 679 | E | 36.2 | Very low | 34 | Very low | 160 Ų | 160 | 138.6 Ų | 138.6 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | trans | 87.8 | 103.4 | 135.5 | -77.2 | 179.6 | 168.8 | 0 | 0 | 124.3 | ||||
| 680 | N | 34.6 | Very low | 34.1 | Very low | 136 Ų | 136 | 134.4 Ų | 134.4 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | 61.7 | 111.9 | 119.4 | -63.2 | -20.9 | 0 | 0 | 0 | 123.8 | |||||
| 681 | Q | 36 | Very low | 34.3 | Very low | 189 Ų | 189 | 135.3 Ų | 135.3 | 88% | 0.883 | 77% | 0.771 | S | S | * | * | trans | 162 | 111.1 | 136.6 | -92.8 | 169.5 | 5.8 | 0 | 0 | 106.6 | ||||
| 682 | V | 32.9 | Very low | 34.4 | Very low | 117 Ų | 117 | 139.6 Ų | 139.6 | 71% | 0.709 | 78% | 0.779 | S | S | * | * | 57.9 | 89.3 | 50.7 | -155.9 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 683 | D | 35.5 | Very low | 34.6 | Very low | 149 Ų | 149 | 142.9 Ų | 142.9 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | 169.2 | 162.1 | 109.9 | -95.9 | -39 | 0 | 0 | 0 | 114.3 | |||||
| 684 | D | 37.4 | Very low | 34.6 | Very low | 134 Ų | 134 | 143.3 Ų | 143.3 | 72% | 0.717 | 79% | 0.785 | S | S | * | * | trans | 72 | 108.6 | 157.3 | -76.8 | -14.8 | 0 | 0 | 0 | 125.2 | ||||
| 685 | L | 36.7 | Very low | 34.7 | Very low | 141 Ų | 141 | 139.9 Ų | 139.9 | 74% | 0.738 | 77% | 0.773 | S | S | * | * | 68.2 | 114.6 | 116.7 | -64.4 | 171.8 | 0 | 0 | 0 | 124.1 | |||||
| 686 | S | 35 | Very low | 34.8 | Very low | 94 Ų | 94 | 139.4 Ų | 139.4 | 66% | 0.657 | 77% | 0.765 | S | S | * | * | trans | 57.7 | 118 | 130 | 69.1 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 687 | D | 31.9 | Very low | 34.9 | Very low | 144 Ų | 144 | 143 Ų | 143 | 77% | 0.77 | 77% | 0.767 | S | S | * | * | 65.5 | 137.6 | 129.7 | -75.1 | -30.5 | 0 | 0 | 0 | 125.1 | |||||
| 688 | H | 36.6 | Very low | 34.4 | Very low | 172 Ų | 172 | 141.2 Ų | 141.2 | 80% | 0.796 | 76% | 0.761 | S | S | * | * | trans | 78.3 | 115.2 | 150.7 | -70.1 | -44.7 | 0 | 0 | 0 | 122.7 | ||||
| 689 | S | 32.4 | Very low | 34.3 | Very low | 103 Ų | 103 | 140.6 Ų | 140.6 | 72% | 0.72 | 77% | 0.768 | S | S | * | * | 70.5 | 111 | 127.9 | 175.6 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 690 | S | 35.4 | Very low | 34.3 | Very low | 108 Ų | 108 | 138.6 Ų | 138.6 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | 179.6 | 125.7 | 104.6 | 36.3 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 691 | S | 34.4 | Very low | 34.1 | Very low | 111 Ų | 111 | 139.3 Ų | 139.3 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | 51.4 | 117.3 | 119.6 | -44.9 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 692 | E | 34.6 | Very low | 34.1 | Very low | 202 Ų | 202 | 136.1 Ų | 136.1 | 94% | 0.944 | 77% | 0.768 | S | S | * | * | -158.3 | 139.9 | 110.8 | -111.3 | 177.2 | 178.7 | 0 | 0 | 111.9 | |||||
| 693 | Q | 33.2 | Very low | 33.9 | Very low | 180 Ų | 180 | 136.4 Ų | 136.4 | 84% | 0.841 | 77% | 0.77 | S | S | * | * | trans | -127.4 | 150.4 | -177.9 | -75.6 | -174.9 | -24.9 | 0 | 0 | 110.5 | ||||
| 694 | L | 33.3 | Very low | 33.9 | Very low | 165 Ų | 165 | 137.2 Ų | 137.2 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | trans | -155.7 | 101.4 | 142 | -87.1 | 121.9 | 0 | 0 | 0 | 106.5 | ||||
| 695 | S | 32.8 | Very low | 33.5 | Very low | 72 Ų | 72 | 137.3 Ų | 137.3 | 50% | 0.503 | 77% | 0.773 | S | S | . | * | 64.1 | 128.5 | 78.2 | 83 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 696 | H | 36.3 | Very low | 33.4 | Very low | 156 Ų | 156 | 139.4 Ų | 139.4 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | cis | -161.4 | 174 | 37.5 | -78.4 | -61.4 | 0 | 0 | 0 | 108.8 | ||||
| 697 | K | 33.7 | Very low | 33.3 | Very low | 182 Ų | 182 | 142.9 Ų | 142.9 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | cis | -163.3 | 146.9 | -11.1 | -113.1 | 165.7 | 179.1 | 172.9 | 0 | 107.3 | ||||
| 698 | S | 27.8 | Very low | 33.3 | Very low | 111 Ų | 111 | 141.2 Ų | 141.2 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | trans | -94.8 | 152.3 | 166.9 | 51 | 0 | 0 | 0 | 0 | 112 | ||||
| 699 | S | 32.9 | Very low | 33.3 | Very low | 126 Ų | 126 | 138 Ų | 138 | 88% | 0.881 | 78% | 0.779 | S | S | * | * | trans | -166.7 | 160.8 | 156.1 | -114.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 700 | P | 35.9 | Very low | 33.2 | Very low | 118 Ų | 118 | 140.4 Ų | 140.4 | 77% | 0.766 | 78% | 0.783 | S | S | * | * | trans | -118.8 | -172.8 | -158.4 | 42.1 | -29.7 | 0 | 0 | 0 | 116.4 | ||||
| 701 | N | 31.2 | Very low | 33.1 | Very low | 151 Ų | 151 | 141.9 Ų | 141.9 | 81% | 0.807 | 78% | 0.783 | S | S | * | * | trans | -29.3 | 154.5 | 174.3 | -76.2 | -8.5 | 0 | 0 | 0 | 118 | ||||
| 702 | P | 36.9 | Very low | 32.9 | Very low | 123 Ų | 123 | 140.6 Ų | 140.6 | 80% | 0.799 | 77% | 0.774 | S | S | * | * | -141.4 | 150.8 | 110.9 | 38.1 | -26 | 0 | 0 | 0 | 116.6 | |||||
| 703 | T | 28.2 | Very low | 32.8 | Very low | 123 Ų | 123 | 137.1 Ų | 137.1 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | trans | -74.5 | 152.3 | 162.8 | -24.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 704 | I | 34.9 | Very low | 32.9 | Very low | 166 Ų | 166 | 136.5 Ų | 136.5 | 85% | 0.851 | 76% | 0.759 | S | S | * | * | trans | -159 | 148.7 | 151.2 | -101.3 | 146 | 0 | 0 | 0 | 110.4 | ||||
| 705 | N | 28.8 | Very low | 32.8 | Very low | 136 Ų | 136 | 135.4 Ų | 135.4 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | trans | -87.7 | 160 | -174.2 | -63.8 | -46.9 | 0 | 0 | 0 | 114.2 | ||||
| 706 | E | 34.8 | Very low | 32.9 | Very low | 185 Ų | 185 | 139.4 Ų | 139.4 | 86% | 0.864 | 77% | 0.768 | S | S | * | * | trans | -166.9 | 101.4 | 133.1 | -105.5 | 165.8 | -158.9 | 0 | 0 | 108 | ||||
| 707 | Q | 33.4 | Very low | 32.7 | Very low | 166 Ų | 166 | 140.6 Ų | 140.6 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | 77.5 | 95.6 | 86.6 | -73.8 | -171 | 14.5 | 0 | 0 | 117 | |||||
| 708 | S | 32 | Very low | 32.7 | Very low | 109 Ų | 109 | 140.5 Ų | 140.5 | 76% | 0.762 | 78% | 0.776 | S | S | * | * | 70 | 160.3 | 123.8 | -66.2 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 709 | P | 37.2 | Very low | 33 | Very low | 105 Ų | 105 | 142.1 Ų | 142.1 | 68% | 0.682 | 78% | 0.776 | S | S | * | * | cis | -145.4 | 172.9 | -24.5 | 37 | -16.8 | 0 | 0 | 0 | 118.1 | ||||
| 710 | L | 29.1 | Very low | 32.7 | Very low | 153 Ų | 153 | 147.5 Ų | 147.5 | 80% | 0.801 | 78% | 0.777 | S | S | * | * | trans | 63 | 114.2 | 139 | -75.2 | 162.1 | 0 | 0 | 0 | 124 | ||||
| 711 | N | 34.6 | Very low | 32.6 | Very low | 140 Ų | 140 | 149 Ų | 149 | 75% | 0.749 | 78% | 0.779 | S | S | * | * | 171.8 | 125.4 | 114.7 | -82.4 | -7.5 | 0 | 0 | 0 | 107.1 | |||||
| 712 | S | 28.2 | Very low | 32.4 | Very low | 84 Ų | 84 | 147.6 Ų | 147.6 | 59% | 0.587 | 77% | 0.771 | S | S | * | * | 65.6 | 130.9 | 60.2 | 105 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 713 | D | 34.4 | Very low | 32.1 | Very low | 128 Ų | 128 | 152.8 Ų | 152.8 | 68% | 0.684 | 78% | 0.777 | S | S | * | * | cis | -157.3 | 168.4 | 19.7 | -86.6 | -60.5 | 0 | 0 | 0 | 113.8 | ||||
| 714 | Q | 35.3 | Very low | 31.9 | Very low | 167 Ų | 167 | 154 Ų | 154 | 78% | 0.78 | 78% | 0.778 | S | S | * | * | trans | 73.4 | 118.2 | 152.7 | -76.2 | 161.4 | -1.5 | 0 | 0 | 119.8 | ||||
| 715 | I | 29.6 | Very low | 31.7 | Very low | 142 Ų | 142 | 152.6 Ų | 152.6 | 73% | 0.728 | 78% | 0.777 | S | S | * | * | 78.2 | 122.8 | 70.4 | -72.2 | 168.8 | 0 | 0 | 0 | 109.8 | |||||
| 716 | D | 35.7 | Very low | 31.6 | Very low | 156 Ų | 156 | 154 Ų | 154 | 83% | 0.834 | 78% | 0.784 | S | S | * | * | -138.1 | 161.6 | 55.9 | -79.2 | -63.6 | 0 | 0 | 0 | 117.2 | |||||
| 717 | E | 31.1 | Very low | 31.3 | Very low | 181 Ų | 181 | 148.2 Ų | 148.2 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | trans | -84.7 | 166 | 165.3 | -59.3 | -179.1 | 118.6 | 0 | 0 | 110.8 | ||||
| 718 | E | 33.7 | Very low | 31.1 | Very low | 180 Ų | 180 | 148.3 Ų | 148.3 | 84% | 0.841 | 78% | 0.78 | S | S | * | * | -173.9 | 167.8 | 92.8 | -95.9 | -176 | 156.5 | 0 | 0 | 113.3 | |||||
| 719 | D | 35.2 | Very low | 30.9 | Very low | 145 Ų | 145 | 149.7 Ų | 149.7 | 78% | 0.775 | 78% | 0.779 | S | S | * | * | trans | 70.2 | 78.1 | 163.9 | -74.4 | -8.6 | 0 | 0 | 0 | 121.4 | ||||
| 720 | R | 26.7 | Very low | 30.5 | Very low | 239 Ų | 239 | 152.5 Ų | 152.5 | 90% | 0.902 | 78% | 0.783 | S | S | * | * | -81.1 | 133 | 126.9 | -72.4 | -179.6 | 176.4 | -176.4 | -0.4 | 109.2 | |||||
| 721 | N | 32.6 | Very low | 30.4 | Very low | 150 Ų | 150 | 151.4 Ų | 151.4 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | trans | -162.2 | 144.7 | 136.4 | -105.8 | -44.3 | 0 | 0 | 0 | 116.2 | ||||
| 722 | N | 28.1 | Very low | 30.1 | Very low | 121 Ų | 121 | 152.7 Ų | 152.7 | 65% | 0.647 | 78% | 0.783 | S | S | * | * | trans | -51.6 | 147.7 | -178.2 | -57.4 | -66.6 | 0 | 0 | 0 | 116.4 | ||||
| 723 | Y | 30.1 | Very low | 30 | Very low | 233 Ų | 233 | 156.3 Ų | 156.3 | 91% | 0.914 | 80% | 0.796 | S | S | * | * | trans | -135.4 | 100.3 | 135.6 | -88.2 | -76.1 | 0 | 0 | 0 | 111.9 | ||||
| 724 | L | 24.8 | Very low | 29.7 | Very low | 148 Ų | 148 | 153.6 Ų | 153.6 | 78% | 0.775 | 80% | 0.798 | S | S | * | * | trans | -84 | 125.6 | 156.6 | -92.4 | 156.4 | 0 | 0 | 0 | 108.5 | ||||
| 725 | T | 31.1 | Very low | 29.3 | Very low | 136 Ų | 136 | 152.3 Ų | 152.3 | 83% | 0.834 | 80% | 0.795 | S | S | * | * | trans | -147.4 | 128.1 | 147.7 | 38.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 726 | N | 26.8 | Very low | 29.1 | Very low | 166 Ų | 166 | 151.4 Ų | 151.4 | 89% | 0.888 | 80% | 0.801 | S | S | * | * | trans | -61.3 | 158.5 | 176.8 | -71.9 | -34.3 | 0 | 0 | 0 | 114 | ||||
| 727 | G | 27 | Very low | 28.6 | Very low | 63 Ų | 63 | 150 Ų | 150 | 65% | 0.649 | 79% | 0.794 | S | S | * | * | trans | 170.8 | 70.1 | 156.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 728 | N | 30 | Very low | 28.4 | Very low | 169 Ų | 169 | 147 Ų | 147 | 90% | 0.904 | 79% | 0.793 | S | S | * | * | 171.8 | 135.2 | 111.3 | -84.2 | -27.6 | 0 | 0 | 0 | 114.1 | |||||
| 729 | N | 27.3 | Very low | 28 | Very low | 138 Ų | 138 | 144.9 Ų | 144.9 | 74% | 0.738 | 79% | 0.787 | S | S | * | * | trans | -76 | 147 | 167.2 | -48.8 | -48.3 | 0 | 0 | 0 | 109.6 | ||||
| 730 | H | 29.1 | Very low | 27.5 | Very low | 163 Ų | 163 | 144 Ų | 144 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | 166.5 | 145.4 | 94.5 | -107.3 | -64 | 0 | 0 | 0 | 114 | |||||
| 731 | I | 26.2 | Very low | 27.6 | Very low | 130 Ų | 130 | 143.5 Ų | 143.5 | 67% | 0.667 | 78% | 0.78 | S | S | * | * | trans | 69.9 | 98 | 154.5 | -55.5 | 154.5 | 0 | 0 | 0 | 116.6 | ||||
| 732 | N | 28.9 | Very low | 27.2 | Very low | 168 Ų | 168 | 139.8 Ų | 139.8 | 90% | 0.898 | 77% | 0.766 | S | S | * | * | -146.6 | 86.4 | 128.3 | -106.7 | -15.8 | 0 | 0 | 0 | 108.2 | |||||
| 733 | D | 26.9 | Very low | 27.2 | Very low | 160 Ų | 160 | 141.5 Ų | 141.5 | 86% | 0.856 | 78% | 0.775 | S | S | * | * | trans | -74.2 | 126 | 164.4 | -75.3 | -52.4 | 0 | 0 | 0 | 108.4 | ||||
| 734 | G | 26.9 | Very low | 27.1 | Very low | 71 Ų | 71 | 137.4 Ų | 137.4 | 73% | 0.732 | 77% | 0.769 | S | S | * | * | trans | 178.9 | 61.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 735 | I | 26.9 | Very low | 27.2 | Very low | 140 Ų | 140 | 138.7 Ų | 138.7 | 72% | 0.718 | 77% | 0.769 | S | S | * | * | trans | 64.3 | 77.9 | 160.7 | -45.8 | 178.1 | 0 | 0 | 0 | 115.2 | N737 | I735-N737 HydrophobicContact CG2-CB 4.02Å; I735-N737 WeakPolarHBondContact CG2-OD1 3.43Å; I735-N737 PolarHBondContact O-N 3.37Å | ||
| 736 | S | 25.4 | Very low | 27.2 | Very low | 122 Ų | 122 | 136.7 Ų | 136.7 | 85% | 0.853 | 76% | 0.76 | S | S | * | * | trans | -71.5 | 79.2 | 151.7 | 45.2 | 0 | 0 | 0 | 0 | 110.5 | S738 | S736-S738 VanDerWaalsContact C-N 3.27Å; S736-S738 PolarHBondContact O-N 2.97Å | ||
| 737 | N | 26.9 | Very low | 27.5 | Very low | 127 Ų | 127 | 137 Ų | 137 | 68% | 0.679 | 76% | 0.756 | S | S | * | * | trans | -72.6 | 87.2 | 169.5 | -92.4 | -4.6 | 0 | 0 | 0 | 110.2 | I735 L739 | I735-N737 HydrophobicContact CG2-CB 4.02Å; I735-N737 WeakPolarHBondContact CG2-OD1 3.43Å; I735-N737 PolarHBondContact O-N 3.37Å; N737-L739 PolarHBondContact O-N 3.32Å | ||
| 738 | S | 25 | Very low | 27.8 | Very low | 118 Ų | 118 | 137.1 Ų | 137.1 | 83% | 0.825 | 74% | 0.741 | S | S | * | * | trans | -58.7 | 79.8 | 158.1 | 167 | 0 | 0 | 0 | 0 | 110 | S736 | S736-S738 VanDerWaalsContact C-N 3.27Å; S736-S738 PolarHBondContact O-N 2.97Å | ||
| 739 | L | 26.4 | Very low | 27.8 | Very low | 135 Ų | 135 | 133.5 Ų | 133.5 | 71% | 0.707 | 72% | 0.722 | S | S | * | * | trans | -82.8 | 116.2 | 160.9 | -90 | 156.7 | 0 | 0 | 0 | 107.8 | N737 W741 | N737-L739 PolarHBondContact O-N 3.32Å; L739-W741 VanDerWaalsContact O-CD1 3.31Å | ||
| 740 | D | 25 | Very low | 28.2 | Very low | 128 Ų | 128 | 134.2 Ų | 134.2 | 68% | 0.684 | 72% | 0.721 | S | S | * | * | trans | -71.6 | 122.3 | 178.2 | -164.9 | -21.7 | 0 | 0 | 0 | 109.7 | S742 | D740-S742 VanDerWaalsContact C-N 3.25Å; D740-S742 PolarHBondContact O-N 2.78Å; D740-S742 VanDerWaalsContact OD1-CB 3.32Å; D740-S742 WeakPolarHBondContact OD1-CB 3.41Å; D740-S742 PolarHBondContact OD1-OG 3.4Å; D740-S742 PolarHBondContact OD2-OG 2.88Å | ||
| 741 | W | 28.1 | Very low | 28.7 | Very low | 227 Ų | 227 | 130.6 Ų | 130.6 | 86% | 0.86 | 70% | 0.7 | S | S | * | * | trans | -90 | 40.3 | -173.5 | -88.5 | 43.9 | 0 | 0 | 0 | 112.5 | L739 | L739-W741 VanDerWaalsContact O-CD1 3.31Š| ||
| 742 | S | 25 | Very low | 28.9 | Very low | 73 Ų | 73 | 128 Ų | 128 | 51% | 0.51 | 69% | 0.688 | S | S | . | * | trans | -118.1 | 19.6 | -166 | 58.8 | 0 | 0 | 0 | 0 | 116.9 | D740 | D740-S742 VanDerWaalsContact C-N 3.25Å; D740-S742 PolarHBondContact O-N 2.78Å; D740-S742 VanDerWaalsContact OD1-CB 3.32Å; D740-S742 WeakPolarHBondContact OD1-CB 3.41Å; D740-S742 PolarHBondContact OD1-OG 3.4Å; D740-S742 PolarHBondContact OD2-OG 2.88Å | ||
| 743 | D | 27 | Very low | 29 | Very low | 156 Ų | 156 | 128.2 Ų | 128.2 | 83% | 0.834 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -147.4 | 87.5 | 171 | -96.8 | -36.6 | 0 | 0 | 0 | 114.3 | ||
| 744 | N | 28.3 | Very low | 29.2 | Very low | 147 Ų | 147 | 128.3 Ų | 128.3 | 79% | 0.786 | 68% | 0.68 | S | S | * | * | trans | 166.6 | 76.2 | 146.7 | -93.8 | -56.9 | 0 | 0 | 0 | 110.9 | S746 | N744-S746 PolarHBondContact O-N 3.33Š| ||
| 745 | K | 27.3 | Very low | 29.3 | Very low | 176 Ų | 176 | 131.4 Ų | 131.4 | 77% | 0.765 | 68% | 0.68 | S | S | * | * | trans | -93.3 | 20.7 | -160.5 | -120.2 | 176.8 | -175.8 | 178.3 | 0 | 116.8 | N749 | K745-N749 PolarHBondContact O-ND2 2.82Å; K745-N749 PolarHBondContact O-OD1 2.83Å | ||
| 746 | S | 30.7 | Very low | 29.5 | Very low | 93 Ų | 93 | 133.6 Ų | 133.6 | 65% | 0.65 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -112 | -18.1 | -166.9 | 55.4 | 0 | 0 | 0 | 0 | 117.7 | N744 | N744-S746 PolarHBondContact O-N 3.33Š|
| 747 | H | 33.1 | Very low | 29.6 | Very low | 172 Ų | 172 | 136.7 Ų | 136.7 | 80% | 0.796 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -122.4 | -6.3 | -176 | -90.2 | -93 | 0 | 0 | 0 | 115.9 | ||
| 748 | L | 32.8 | Very low | 29.8 | Very low | 67 Ų | 67 | 137.4 Ų | 137.4 | 35% | 0.351 | 70% | 0.697 | S | S | . | * | S | Bend | trans | -106.2 | -5.8 | -176.8 | -100.5 | 148 | 0 | 0 | 0 | 114.6 | M569 H750 W751 | M569-L748 HydrophobicContact CE-CD1 4.19Å; M569-L748 HydrophobicContact CE-CD2 4.03Å; M569-L748 HydrophobicContact SD-CD1 3.99Å; L748-H750 PolarHBondContact O-N 3.46Å; L748-H750 VanDerWaalsContact O-N 3.12Å; L748-W751 PolarHBondContact O-N 2.98Å; L748-W751 VanDerWaalsContact O-N 3.14Å |
| 749 | N | 30.5 | Very low | 29.8 | Very low | 92 Ų | 92 | 139.9 Ų | 139.9 | 49% | 0.492 | 70% | 0.701 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.5 | -7 | -173.2 | -59 | -7.8 | 0 | 0 | 0 | 114.2 | K745 W751 | K745-N749 PolarHBondContact O-ND2 2.82Å; K745-N749 PolarHBondContact O-OD1 2.83Å; N749-W751 VanDerWaalsContact C-N 3.3Å |
| 750 | H | 36.6 | Very low | 30 | Very low | 154 Ų | 154 | 141 Ų | 141 | 71% | 0.713 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | -13.6 | 172.6 | -153.6 | 21.2 | 0 | 0 | 0 | 113.2 | L748 | L748-H750 PolarHBondContact O-N 3.46Å; L748-H750 VanDerWaalsContact O-N 3.12Å |
| 751 | W | 38.2 | Very low | 30.2 | Very low | 87 Ų | 87 | 140.7 Ų | 140.7 | 33% | 0.33 | 71% | 0.71 | S | S | . | * | S | Bend | trans | -115.1 | -5 | -168.4 | -65.1 | 101.6 | 0 | 0 | 0 | 115 | L589 E642 L748 N749 | L589-W751 HydrophobicContact CD2-CH2 3.23Å; L589-W751 HydrophobicContact CD2-CZ2 4.23Å; L589-W751 HydrophobicContact CD2-CZ3 3.57Å; L589-W751 HydrophobicContact CG-CH2 4.45Å; L589-W751 HydrophobicContact CG-CZ3 4.43Å; E642-W751 HydrophobicContact CB-CH2 3.4Å; E642-W751 VanDerWaalsContact CB-CH2 3.4Å; E642-W751 HydrophobicContact CB-CZ2 4.11Å; E642-W751 HydrophobicContact CB-CZ3 4.28Å; E642-W751 HydrophobicContact CG-CH2 3.41Å; E642-W751 VanDerWaalsContact CG-CH2 3.41Å; E642-W751 HydrophobicContact CG-CZ2 4.39Å; E642-W751 HydrophobicContact CG-CZ3 3.8Å; L748-W751 PolarHBondContact O-N 2.98Å; L748-W751 VanDerWaalsContact O-N 3.14Å; N749-W751 VanDerWaalsContact C-N 3.3Å |
| 752 | N | 31.9 | Very low | 30.2 | Very low | 75 Ų | 75 | 138.4 Ų | 138.4 | 40% | 0.401 | 71% | 0.714 | S | S | . | * | S | Bend | trans | -122.1 | 18.1 | -168.7 | -71.5 | -31.2 | 0 | 0 | 0 | 114 | ||
| 753 | E | 30.4 | Very low | 30.4 | Very low | 173 Ų | 173 | 139.2 Ų | 139.2 | 81% | 0.808 | 72% | 0.72 | S | S | * | * | trans | -107.6 | 55.1 | 174.6 | -70.4 | -170.3 | 152.6 | 0 | 0 | 112.2 | ||||
| 754 | M | 31 | Very low | 30.5 | Very low | 161 Ų | 161 | 138 Ų | 138 | 79% | 0.793 | 72% | 0.72 | S | S | * | * | trans | -143.4 | 14 | 170 | -67.7 | -156 | 82.5 | 0 | 0 | 115.2 | E756 | M754-E756 PolarHBondContact O-N 3.14Š| ||
| 755 | D | 28.9 | Very low | 30.6 | Very low | 136 Ų | 136 | 139 Ų | 139 | 73% | 0.727 | 72% | 0.724 | S | S | * | * | trans | -98.3 | 52.7 | 178.7 | -75.2 | -39.7 | 0 | 0 | 0 | 112.6 | ||||
| 756 | E | 31.7 | Very low | 30.6 | Very low | 186 Ų | 186 | 137.4 Ų | 137.4 | 87% | 0.869 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -152.9 | 140.6 | 162.1 | -113.9 | 170.3 | -154.6 | 0 | 0 | 110 | M754 | M754-E756 PolarHBondContact O-N 3.14Š|
| 757 | E | 27.3 | Very low | 30.5 | Very low | 188 Ų | 188 | 138.1 Ų | 138.1 | 88% | 0.879 | 73% | 0.729 | S | S | * | * | trans | 65.8 | 70.8 | 178.9 | -58.1 | -161.5 | 144.3 | 0 | 0 | 120.7 | ||||
| 758 | V | 30 | Very low | 30.3 | Very low | 142 Ų | 142 | 138.2 Ų | 138.2 | 86% | 0.861 | 74% | 0.735 | S | S | * | * | trans | -141.1 | 80.1 | 136.2 | -167.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 759 | N | 25.5 | Very low | 29.9 | Very low | 170 Ų | 170 | 140.3 Ų | 140.3 | 91% | 0.909 | 76% | 0.755 | S | S | * | * | trans | -104.3 | 93.6 | 157.4 | -105.1 | -35.2 | 0 | 0 | 0 | 107.4 | ||||
| 760 | L | 30.2 | Very low | 29.9 | Very low | 159 Ų | 159 | 141 Ų | 141 | 83% | 0.832 | 77% | 0.767 | S | S | * | * | trans | -151.7 | 137 | 169.4 | -108.3 | 162.9 | 0 | 0 | 0 | 112 | ||||
| 761 | T | 29.4 | Very low | 29.4 | Very low | 120 Ų | 120 | 141.5 Ų | 141.5 | 74% | 0.736 | 78% | 0.775 | S | S | * | * | trans | -77 | 133.5 | -170 | 42.3 | 0 | 0 | 0 | 0 | 112.7 | S763 | T761-S763 PolarHBondContact O-N 3.35Å; T761-S763 VanDerWaalsContact O-N 3.13Å | ||
| 762 | N | 29.4 | Very low | 29.1 | Very low | 179 Ų | 179 | 142.5 Ų | 142.5 | 96% | 0.957 | 80% | 0.795 | S | S | * | * | trans | -65.7 | 112.4 | 166.8 | -85.3 | -32.4 | 0 | 0 | 0 | 110 | ||||
| 763 | S | 27.9 | Very low | 29 | Very low | 90 Ų | 90 | 144.7 Ų | 144.7 | 63% | 0.629 | 81% | 0.811 | S | S | * | * | trans | -121.9 | 141.9 | 162.8 | 42.7 | 0 | 0 | 0 | 0 | 108.3 | T761 | T761-S763 PolarHBondContact O-N 3.35Å; T761-S763 VanDerWaalsContact O-N 3.13Å | ||
| 764 | P | 29.3 | Very low | 28.9 | Very low | 130 Ų | 130 | 143.7 Ų | 143.7 | 84% | 0.844 | 81% | 0.811 | S | S | * | * | trans | -76.2 | 131.4 | -169.6 | 30 | -34 | 0 | 0 | 0 | 111.1 | ||||
| 765 | I | 30.9 | Very low | 29 | Very low | 168 Ų | 168 | 144.2 Ų | 144.2 | 86% | 0.862 | 82% | 0.817 | S | S | * | * | trans | -98 | 105 | 173 | -62.8 | 179.4 | 0 | 0 | 0 | 109.2 | ||||
| 766 | D | 27.7 | Very low | 28.9 | Very low | 144 Ų | 144 | 145 Ų | 145 | 77% | 0.77 | 82% | 0.822 | S | S | * | * | trans | -72.4 | 154.4 | 162.5 | -102.9 | -43.7 | 0 | 0 | 0 | 111.7 | ||||
| 767 | S | 27.2 | Very low | 28.7 | Very low | 108 Ų | 108 | 143.3 Ų | 143.3 | 76% | 0.755 | 82% | 0.817 | S | S | * | * | trans | 61.6 | 111.7 | 156 | 70.1 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 768 | L | 29.7 | Very low | 28.6 | Very low | 174 Ų | 174 | 140.5 Ų | 140.5 | 91% | 0.911 | 81% | 0.813 | S | S | * | * | trans | -145.1 | 109.4 | 138.7 | -110.7 | 168.9 | 0 | 0 | 0 | 109.3 | ||||
| 769 | S | 24.7 | Very low | 28.5 | Very low | 111 Ų | 111 | 140.5 Ų | 140.5 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | trans | -99.8 | 137.7 | 172.1 | 54.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 770 | S | 31.1 | Very low | 28.6 | Very low | 106 Ų | 106 | 140.3 Ų | 140.3 | 74% | 0.741 | 80% | 0.8 | S | S | * | * | trans | -171 | 104.8 | 155.5 | 19.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 771 | N | 25.3 | Very low | 28.3 | Very low | 164 Ų | 164 | 140.4 Ų | 140.4 | 88% | 0.877 | 80% | 0.796 | S | S | * | * | trans | 15.9 | 115.2 | 139.5 | -57.5 | -19.2 | 0 | 0 | 0 | 119.4 | ||||
| 772 | S | 31 | Very low | 28.2 | Very low | 108 Ų | 108 | 142.3 Ų | 142.3 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | trans | -150.5 | 96.1 | 132 | 33.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 773 | T | 31.5 | Very low | 28 | Very low | 121 Ų | 121 | 141.3 Ų | 141.3 | 74% | 0.742 | 79% | 0.79 | S | S | * | * | 36.8 | 116.3 | 126.2 | 55.6 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 774 | N | 28 | Very low | 27.9 | Very low | 152 Ų | 152 | 143.8 Ų | 143.8 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | trans | 35.4 | 115.7 | 137.3 | -56.2 | -1.3 | 0 | 0 | 0 | 119.3 | ||||
| 775 | D | 31.6 | Very low | 27.7 | Very low | 172 Ų | 172 | 143 Ų | 143 | 92% | 0.92 | 77% | 0.774 | S | S | * | * | trans | -144.2 | 132.7 | 133.1 | -101.8 | -35.2 | 0 | 0 | 0 | 110 | ||||
| 776 | D | 27 | Very low | 27.5 | Very low | 152 Ų | 152 | 139.4 Ų | 139.4 | 81% | 0.813 | 76% | 0.759 | S | S | * | * | trans | -78.3 | 126.3 | -173.9 | -76.8 | -58.5 | 0 | 0 | 0 | 112.6 | ||||
| 777 | I | 28.4 | Very low | 27.5 | Very low | 152 Ų | 152 | 138.4 Ų | 138.4 | 78% | 0.779 | 75% | 0.75 | S | S | * | * | trans | -130.6 | 94.2 | 156.4 | -58.8 | -176.5 | 0 | 0 | 0 | 109.7 | I779 | I777-I779 HydrophobicContact CG2-CD1 4.02Å; I777-I779 HydrophobicContact CG2-CG1 3.94Å | ||
| 778 | T | 24.4 | Very low | 27.5 | Very low | 128 Ų | 128 | 140.2 Ų | 140.2 | 79% | 0.785 | 75% | 0.747 | S | S | * | * | trans | -84.9 | 108.5 | 168.9 | -56.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 779 | I | 28 | Very low | 27.6 | Very low | 143 Ų | 143 | 136.1 Ų | 136.1 | 73% | 0.733 | 73% | 0.726 | S | S | * | * | trans | -132 | 101.5 | 167.5 | -61.5 | -176.6 | 0 | 0 | 0 | 111.3 | I777 | I777-I779 HydrophobicContact CG2-CD1 4.02Å; I777-I779 HydrophobicContact CG2-CG1 3.94Å | ||
| 780 | H | 27.6 | Very low | 27.8 | Very low | 166 Ų | 166 | 137.1 Ų | 137.1 | 77% | 0.769 | 72% | 0.722 | S | S | * | * | trans | 38 | 116.5 | 148 | -82.7 | -86.4 | 0 | 0 | 0 | 121.8 | I782 | H780-I782 PolarHBondContact O-N 2.87Š| ||
| 781 | H | 25.1 | Very low | 27.7 | Very low | 161 Ų | 161 | 136.7 Ų | 136.7 | 75% | 0.745 | 71% | 0.708 | S | S | * | * | trans | -27.9 | 127.5 | 144.3 | -96.6 | -104.3 | 0 | 0 | 0 | 114.3 | ||||
| 782 | I | 26.5 | Very low | 27.9 | Very low | 160 Ų | 160 | 132.9 Ų | 132.9 | 82% | 0.821 | 69% | 0.693 | S | S | * | * | trans | -129.8 | 100.9 | 145.6 | -62.1 | -178.4 | 0 | 0 | 0 | 107.3 | H780 | H780-I782 PolarHBondContact O-N 2.87Š| ||
| 783 | E | 24.3 | Very low | 27.7 | Very low | 158 Ų | 158 | 134.8 Ų | 134.8 | 74% | 0.738 | 69% | 0.693 | S | S | * | * | trans | -69.5 | 132.2 | 153.4 | -60.3 | 174.5 | 135.1 | 0 | 0 | 107.3 | ||||
| 784 | M | 26.1 | Very low | 27.5 | Very low | 142 Ų | 142 | 138 Ų | 138 | 70% | 0.7 | 70% | 0.697 | S | S | * | * | trans | 175.4 | 135.6 | 133.5 | -100 | 167.5 | 22.1 | 0 | 0 | 114.9 | ||||
| 785 | Y | 26.2 | Very low | 27.5 | Very low | 114 Ų | 114 | 138.8 Ų | 138.8 | 45% | 0.447 | 70% | 0.701 | S | S | . | * | trans | 65.5 | 89.6 | 152.8 | -54.8 | -40.6 | 0 | 0 | 0 | 121 | H367 Q787 | H367-Y785 HydrophobicContact CB-CE1 3.92Å; H367-Y785 AromaticContact CE1-CD1 3.81Å; H367-Y785 AromaticContact CE1-CE1 3.64Å; H367-Y785 AromaticContact CE1-CE2 3.95Å; H367-Y785 AromaticContact CE1-CZ 3.69Å; H367-Y785 AromaticContact CG-CE1 3.58Å; H367-Y785 AromaticContact ND1-CD1 3.59Å; H367-Y785 AromaticContact ND1-CE1 2.98Å; H367-Y785 WeakPolarHBondContact ND1-CE1 3.48Å; H367-Y785 AromaticContact ND1-CE2 3.77Å; H367-Y785 AromaticContact ND1-CZ 3.07Å; H367-Y785 PolarHBondContact ND1-OH 3.03Å; Y785-Q787 PolarHBondContact O-N 3.1Å | ||
| 786 | T | 25.8 | Very low | 27.2 | Very low | 91 Ų | 91 | 139.7 Ų | 139.7 | 56% | 0.558 | 70% | 0.697 | S | S | * | * | -39.2 | 108.8 | 123.1 | 35.4 | 0 | 0 | 0 | 0 | 112.6 | S365 | S365-T786 WeakPolarHBondContact CB-OG1 3.27Š| |||
| 787 | Q | 28 | Very low | 27.2 | Very low | 123 Ų | 123 | 140.5 Ų | 140.5 | 58% | 0.575 | 70% | 0.7 | S | S | * | * | trans | -128.7 | 116.4 | 157.9 | -84.3 | -169.3 | -11 | 0 | 0 | 109.9 | Y785 N789 | Y785-Q787 PolarHBondContact O-N 3.1Å; Q787-N789 PolarHBondContact O-N 2.89Å | ||
| 788 | Q | 28.2 | Very low | 27.2 | Very low | 147 Ų | 147 | 139.8 Ų | 139.8 | 69% | 0.687 | 70% | 0.703 | S | S | * | * | trans | -65.3 | 115.4 | 162.6 | -72 | 175.9 | -21.4 | 0 | 0 | 108.5 | ||||
| 789 | N | 30.3 | Very low | 27.2 | Very low | 87 Ų | 87 | 142.4 Ų | 142.4 | 47% | 0.465 | 71% | 0.706 | S | S | . | * | trans | -142.6 | 104.5 | 166.8 | -95.3 | -45.3 | 0 | 0 | 0 | 109 | Q787 H791 | Q787-N789 PolarHBondContact O-N 2.89Å; N789-H791 PolarHBondContact O-N 3.06Å | ||
| 790 | D | 29.6 | Very low | 27.1 | Very low | 132 Ų | 132 | 140.9 Ų | 140.9 | 71% | 0.706 | 71% | 0.708 | S | S | * | * | trans | -72.3 | 70.8 | 174.1 | -79.1 | -40.9 | 0 | 0 | 0 | 110.9 | ||||
| 791 | H | 29.1 | Very low | 27.2 | Very low | 97 Ų | 97 | 139 Ų | 139 | 45% | 0.449 | 71% | 0.709 | S | S | . | * | trans | -113.7 | 137.6 | 162.4 | -84.9 | -54.4 | 0 | 0 | 0 | 109.9 | R340 N789 I793 | R340-H791 PolarHBondContact NH2-NE2 2.85Å; N789-H791 PolarHBondContact O-N 3.06Å; H791-I793 PolarHBondContact O-N 2.77Å | ||
| 792 | P | 29.1 | Very low | 27.2 | Very low | 85 Ų | 85 | 140.3 Ų | 140.3 | 55% | 0.552 | 72% | 0.715 | S | S | * | * | trans | -74.7 | 89.2 | 180 | 30.9 | -34.3 | 0 | 0 | 0 | 110.1 | K794 | P792-K794 PolarHBondContact O-N 2.94Š| ||
| 793 | I | 27.4 | Very low | 27.2 | Very low | 147 Ų | 147 | 139.2 Ų | 139.2 | 75% | 0.754 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 117.5 | 175.3 | -65 | 179.1 | 0 | 0 | 0 | 108.9 | H791 N795 | H791-I793 PolarHBondContact O-N 2.77Å; I793-N795 PolarHBondContact O-N 2.88Å |
| 794 | K | 27.1 | Very low | 27.3 | Very low | 190 Ų | 190 | 136.4 Ų | 136.4 | 83% | 0.826 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 118.1 | 167.7 | -63.9 | 175 | 176.6 | -178.9 | 0 | 108.4 | P792 K796 | P792-K794 PolarHBondContact O-N 2.94Å; K794-K796 PolarHBondContact O-N 3.48Å |
| 795 | N | 28.7 | Very low | 27.6 | Very low | 168 Ų | 168 | 138.6 Ų | 138.6 | 90% | 0.898 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 118.5 | 160.3 | -88.7 | -5.8 | 0 | 0 | 0 | 108.3 | I793 | I793-N795 PolarHBondContact O-N 2.88Š|
| 796 | K | 24.9 | Very low | 27.8 | Very low | 190 Ų | 190 | 139.5 Ų | 139.5 | 83% | 0.826 | 74% | 0.739 | S | S | * | * | trans | -132 | 82.4 | -179.7 | -166.8 | -166.8 | -177 | -167.6 | 0 | 109.8 | K794 | K794-K796 PolarHBondContact O-N 3.48Š| ||
| 797 | L | 26.1 | Very low | 28 | Very low | 169 Ų | 169 | 142.5 Ų | 142.5 | 89% | 0.885 | 75% | 0.751 | S | S | * | * | trans | -144.3 | 125.3 | 153.7 | -83.2 | 116.2 | 0 | 0 | 0 | 103.7 | ||||
| 798 | T | 28.5 | Very low | 28.2 | Very low | 137 Ų | 137 | 140.3 Ų | 140.3 | 84% | 0.84 | 76% | 0.762 | S | S | * | * | cis | -124.3 | 174.5 | 37.9 | 44 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 799 | Q | 24.1 | Very low | 28.1 | Very low | 184 Ų | 184 | 140.8 Ų | 140.8 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | trans | -91.4 | 147.4 | -172.8 | -61.6 | 159.4 | -30.6 | 0 | 0 | 112.3 | ||||
| 800 | S | 27 | Very low | 28.1 | Very low | 111 Ų | 111 | 141.7 Ų | 141.7 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | -175.8 | 135.4 | 122.8 | 32.5 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 801 | T | 28.7 | Very low | 28.2 | Very low | 127 Ų | 127 | 145.6 Ų | 145.6 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | trans | 45.7 | 100 | 150.4 | 50.3 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 802 | E | 24.8 | Very low | 28.3 | Very low | 188 Ų | 188 | 146.8 Ų | 146.8 | 88% | 0.879 | 80% | 0.803 | S | S | * | * | 10.9 | 129.8 | 127.2 | -58.4 | 177 | 147.5 | 0 | 0 | 120 | |||||
| 803 | C | 27.1 | Very low | 28.4 | Very low | 137 Ų | 137 | 148.6 Ų | 148.6 | 93% | 0.926 | 82% | 0.818 | S | S | * | * | -149 | 126.8 | 123.8 | -166.4 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 804 | S | 25.9 | Very low | 28.3 | Very low | 99 Ų | 99 | 147.3 Ų | 147.3 | 69% | 0.692 | 82% | 0.822 | S | S | * | * | trans | -125.7 | 129.1 | 178.3 | 53.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 805 | Q | 32.2 | Very low | 28.6 | Very low | 187 Ų | 187 | 142.8 Ų | 142.8 | 87% | 0.874 | 81% | 0.814 | S | S | * | * | trans | 159.8 | 146.9 | 161.5 | -91.4 | 165 | 35.4 | 0 | 0 | 107.4 | ||||
| 806 | L | 31.1 | Very low | 28.7 | Very low | 134 Ų | 134 | 143.5 Ų | 143.5 | 70% | 0.702 | 81% | 0.81 | S | S | * | * | cis | -177.6 | 135.2 | -18.6 | -111.2 | 179.2 | 0 | 0 | 0 | 104.4 | ||||
| 807 | N | 30.1 | Very low | 28.8 | Very low | 154 Ų | 154 | 140.6 Ų | 140.6 | 82% | 0.824 | 81% | 0.808 | S | S | * | * | trans | 56.7 | 138.3 | 153.9 | -58.4 | -8.9 | 0 | 0 | 0 | 122.4 | ||||
| 808 | G | 31.3 | Very low | 28.9 | Very low | 77 Ų | 77 | 139.5 Ų | 139.5 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | trans | 164.2 | 78.9 | 167.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 809 | D | 28 | Very low | 28.9 | Very low | 157 Ų | 157 | 139 Ų | 139 | 84% | 0.84 | 79% | 0.794 | S | S | * | * | trans | -71.5 | 177.5 | 179.6 | -69.3 | -67 | 0 | 0 | 0 | 114.7 | ||||
| 810 | C | 30.3 | Very low | 29.2 | Very low | 106 Ų | 106 | 137.7 Ų | 137.7 | 72% | 0.716 | 79% | 0.79 | S | S | * | * | trans | 100.8 | 136.6 | 167.7 | -57.3 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 811 | Y | 29.8 | Very low | 29.3 | Very low | 214 Ų | 214 | 139.1 Ų | 139.1 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | cis | -157.6 | 155.5 | -17.6 | -105.3 | -70 | 0 | 0 | 0 | 106.5 | ||||
| 812 | P | 31.7 | Very low | 29.5 | Very low | 121 Ų | 121 | 141 Ų | 141 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | trans | -98.7 | 143.5 | 179.5 | 35.6 | -28.3 | 0 | 0 | 0 | 113.5 | ||||
| 813 | S | 31.7 | Very low | 29.8 | Very low | 123 Ų | 123 | 135.4 Ų | 135.4 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | trans | -148.6 | 125.7 | 166.4 | 63 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 814 | S | 26 | Very low | 30 | Very low | 121 Ų | 121 | 135.2 Ų | 135.2 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | trans | -86.2 | 141 | 172.3 | 54.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 815 | S | 32.3 | Very low | 30.2 | Very low | 94 Ų | 94 | 135.6 Ų | 135.6 | 66% | 0.657 | 79% | 0.787 | S | S | * | * | trans | 177.7 | 122.3 | 145.3 | 171.1 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 816 | K | 31.7 | Very low | 30.2 | Very low | 184 Ų | 184 | 132.2 Ų | 132.2 | 80% | 0.8 | 78% | 0.784 | S | S | * | * | trans | 56.7 | 108.3 | 143.4 | -58.4 | 170.4 | -169.3 | 171.7 | 0 | 120.9 | ||||
| 817 | T | 25.9 | Very low | 30.2 | Very low | 128 Ų | 128 | 132.1 Ų | 132.1 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | 39.8 | 107.1 | 104.4 | -35.5 | 0 | 0 | 0 | 0 | 120 | |||||
| 818 | L | 29.6 | Very low | 30.1 | Very low | 146 Ų | 146 | 132.4 Ų | 132.4 | 76% | 0.764 | 78% | 0.782 | S | S | * | * | -172.3 | 131.4 | 114.7 | -136.2 | 86.7 | 0 | 0 | 0 | 113.2 | |||||
| 819 | N | 28.2 | Very low | 30.2 | Very low | 128 Ų | 128 | 134.5 Ų | 134.5 | 68% | 0.684 | 78% | 0.78 | S | S | * | * | trans | 52 | 132.4 | 138 | -73 | 6.3 | 0 | 0 | 0 | 126 | ||||
| 820 | M | 30 | Very low | 30.2 | Very low | 156 Ų | 156 | 134.6 Ų | 134.6 | 77% | 0.768 | 78% | 0.781 | S | S | * | * | trans | 107.5 | 100.4 | 132.7 | -79 | 169 | 80.6 | 0 | 0 | 122 | ||||
| 821 | L | 28.2 | Very low | 30.4 | Very low | 140 Ų | 140 | 135 Ų | 135 | 73% | 0.733 | 78% | 0.784 | S | S | * | * | 63.3 | 114.2 | 126 | -68.6 | 167.6 | 0 | 0 | 0 | 122 | |||||
| 822 | N | 33.3 | Very low | 30.4 | Very low | 166 Ų | 166 | 133 Ų | 133 | 89% | 0.888 | 79% | 0.788 | S | S | * | * | -171.3 | 123.8 | 115.6 | -83.9 | -28.2 | 0 | 0 | 0 | 106.3 | |||||
| 823 | G | 30.8 | Very low | 30.3 | Very low | 72 Ų | 72 | 133.5 Ų | 133.5 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | 97.2 | 121.9 | 72.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 824 | C | 31.4 | Very low | 30.1 | Very low | 132 Ų | 132 | 136 Ų | 136 | 89% | 0.892 | 79% | 0.791 | S | S | * | * | cis | -144.6 | 166.8 | 21.2 | -78.6 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 825 | C | 29.9 | Very low | 30.4 | Very low | 108 Ų | 108 | 137.6 Ų | 137.6 | 73% | 0.73 | 79% | 0.789 | S | S | * | * | trans | -88.5 | 172.5 | -179.6 | -50.3 | 0 | 0 | 0 | 0 | 113 | I827 | C825-I827 HydrophobicContact CB-CD1 3.7Å; C825-I827 HydrophobicContact CB-CG1 3.91Å | ||
| 826 | S | 32.5 | Very low | 30.3 | Very low | 115 Ų | 115 | 139.4 Ų | 139.4 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | -149.4 | 122.5 | 71.4 | 41.4 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 827 | I | 31.1 | Very low | 30.2 | Very low | 133 Ų | 133 | 137.3 Ų | 137.3 | 68% | 0.682 | 79% | 0.789 | S | S | * | * | 78.8 | 107.5 | 72 | -67.5 | 165 | 0 | 0 | 0 | 114 | C825 T829 | C825-I827 HydrophobicContact CB-CD1 3.7Å; C825-I827 HydrophobicContact CB-CG1 3.91Å; I827-T829 HydrophobicContact CG2-CG2 3.95Å | |||
| 828 | I | 28.3 | Very low | 30.6 | Very low | 160 Ų | 160 | 140 Ų | 140 | 82% | 0.821 | 79% | 0.793 | S | S | * | * | trans | -88 | 139.6 | 161.9 | -63.6 | 164 | 0 | 0 | 0 | 107.9 | ||||
| 829 | T | 33.6 | Very low | 30.6 | Very low | 120 Ų | 120 | 140.3 Ų | 140.3 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | trans | -139.6 | 112 | 163.2 | 51.9 | 0 | 0 | 0 | 0 | 111.6 | I827 | I827-T829 HydrophobicContact CG2-CG2 3.95Š| ||
| 830 | D | 28 | Very low | 30.9 | Very low | 160 Ų | 160 | 142.1 Ų | 142.1 | 86% | 0.856 | 79% | 0.794 | S | S | * | * | trans | -75.4 | 133.5 | 160.5 | -82.6 | -49.8 | 0 | 0 | 0 | 110.4 | ||||
| 831 | S | 35.4 | Very low | 30.8 | Very low | 114 Ų | 114 | 141 Ų | 141 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | trans | -164.3 | 113.5 | 151.4 | 56 | 0 | 0 | 0 | 0 | 112 | ||||
| 832 | N | 28.5 | Very low | 30.9 | Very low | 173 Ų | 173 | 138.7 Ų | 138.7 | 93% | 0.925 | 79% | 0.792 | S | S | * | * | trans | -68.4 | 131 | 166.3 | -76.3 | -59.1 | 0 | 0 | 0 | 110.9 | ||||
| 833 | C | 30.3 | Very low | 30.8 | Very low | 130 Ų | 130 | 140.6 Ų | 140.6 | 88% | 0.878 | 79% | 0.792 | S | S | * | * | trans | -157.5 | 135.7 | 137.8 | -153.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 834 | Q | 27.1 | Very low | 30.6 | Very low | 175 Ų | 175 | 146.3 Ų | 146.3 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -81.2 | 149.5 | 175.7 | -60.8 | 168.2 | -26.6 | 0 | 0 | 110.7 | ||||
| 835 | L | 32.2 | Very low | 30.6 | Very low | 155 Ų | 155 | 149.8 Ų | 149.8 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | 176.8 | 110.8 | 123.3 | -96.2 | 154.9 | 0 | 0 | 0 | 114.5 | |||||
| 836 | N | 29.9 | Very low | 30.4 | Very low | 133 Ų | 133 | 150 Ų | 150 | 71% | 0.711 | 80% | 0.803 | S | S | * | * | trans | 27.1 | 122 | 142.8 | -64.4 | -12.7 | 0 | 0 | 0 | 123 | ||||
| 837 | N | 30 | Very low | 30.4 | Very low | 140 Ų | 140 | 150.7 Ų | 150.7 | 75% | 0.749 | 80% | 0.802 | S | S | * | * | 38.6 | 125.4 | 123.5 | -61.4 | -14.6 | 0 | 0 | 0 | 120.8 | |||||
| 838 | H | 33.4 | Very low | 30.2 | Very low | 185 Ų | 185 | 152 Ų | 152 | 86% | 0.856 | 81% | 0.81 | S | S | * | * | -162.3 | 152.8 | 105.4 | -112 | -79.2 | 0 | 0 | 0 | 114.3 | |||||
| 839 | H | 30.4 | Very low | 30.4 | Very low | 151 Ų | 151 | 151 Ų | 151 | 70% | 0.699 | 81% | 0.807 | S | S | * | * | trans | -62.3 | 151.2 | 179.2 | -69.4 | -90.3 | 0 | 0 | 0 | 115.2 | ||||
| 840 | H | 34.6 | Very low | 30.1 | Very low | 166 Ų | 166 | 153.3 Ų | 153.3 | 77% | 0.769 | 81% | 0.814 | S | S | * | * | -178.7 | 124.3 | 97.4 | -101.6 | -70.8 | 0 | 0 | 0 | 116.8 | |||||
| 841 | N | 28.9 | Very low | 30.1 | Very low | 134 Ų | 134 | 152.8 Ų | 152.8 | 72% | 0.717 | 81% | 0.811 | S | S | * | * | trans | 28.4 | 111.1 | 134.4 | -73.1 | -1.9 | 0 | 0 | 0 | 122.6 | ||||
| 842 | A | 28.6 | Very low | 29.6 | Very low | 91 Ų | 91 | 154 Ų | 154 | 75% | 0.752 | 81% | 0.813 | S | S | * | * | 101.7 | 151.3 | 98.9 | 0 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 843 | K | 32 | Very low | 29.7 | Very low | 205 Ų | 205 | 152.4 Ų | 152.4 | 89% | 0.891 | 81% | 0.81 | S | S | * | * | trans | 98 | 113.1 | 160.1 | -71.8 | -178 | 175 | 176.9 | 0 | 118.8 | ||||
| 844 | Q | 27.5 | Very low | 29.7 | Very low | 192 Ų | 192 | 151.1 Ų | 151.1 | 90% | 0.897 | 80% | 0.803 | S | S | * | * | trans | -54.8 | 149.3 | 167 | -59.6 | 157.8 | -42.7 | 0 | 0 | 112.4 | ||||
| 845 | K | 30.2 | Very low | 29.6 | Very low | 205 Ų | 205 | 152.5 Ų | 152.5 | 89% | 0.891 | 81% | 0.809 | S | S | * | * | trans | -152.1 | 131.9 | 132.1 | -114.9 | 175.3 | -178 | -176.8 | 0 | 110.1 | ||||
| 846 | S | 26.7 | Very low | 29.5 | Very low | 114 Ų | 114 | 148.4 Ų | 148.4 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | trans | -73 | 140.7 | 175.7 | 42.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 847 | T | 32.1 | Very low | 29.4 | Very low | 129 Ų | 129 | 146.8 Ų | 146.8 | 79% | 0.791 | 81% | 0.809 | S | S | * | * | trans | -150.4 | 135.7 | 149.6 | 23.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 848 | N | 27.3 | Very low | 29.3 | Very low | 159 Ų | 159 | 152 Ų | 152 | 85% | 0.85 | 82% | 0.819 | S | S | * | * | trans | -62 | 136.5 | 173.9 | -65.8 | -17.4 | 0 | 0 | 0 | 109.5 | ||||
| 849 | N | 32.3 | Very low | 29.1 | Very low | 140 Ų | 140 | 151.8 Ų | 151.8 | 75% | 0.749 | 82% | 0.823 | S | S | * | * | trans | -146.5 | 125.2 | 156.7 | -93.5 | -37.2 | 0 | 0 | 0 | 109.4 | L851 | N849-L851 PolarHBondContact O-N 3.19Š| ||
| 850 | N | 26.6 | Very low | 29.1 | Very low | 168 Ų | 168 | 147.3 Ų | 147.3 | 90% | 0.898 | 82% | 0.818 | S | S | * | * | trans | -60.1 | 123.9 | 168.3 | -64.1 | -27.5 | 0 | 0 | 0 | 108.2 | ||||
| 851 | L | 28.3 | Very low | 28.8 | Very low | 150 Ų | 150 | 150.5 Ų | 150.5 | 79% | 0.785 | 83% | 0.825 | S | S | * | * | trans | -119.3 | 97.9 | 174.8 | -96.9 | 159.5 | 0 | 0 | 0 | 109.2 | N849 V853 | N849-L851 PolarHBondContact O-N 3.19Å; L851-V853 PolarHBondContact O-N 2.98Å | ||
| 852 | T | 25.6 | Very low | 28.9 | Very low | 138 Ų | 138 | 153.1 Ų | 153.1 | 85% | 0.847 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -47.9 | 117.4 | 158.5 | 43.8 | 0 | 0 | 0 | 0 | 109.8 | ||
| 853 | V | 30.2 | Very low | 29 | Very low | 141 Ų | 141 | 151.1 Ų | 151.1 | 86% | 0.855 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 132.9 | 168.8 | 178.9 | 0 | 0 | 0 | 0 | 108.4 | L851 | L851-V853 PolarHBondContact O-N 2.98Š|
| 854 | S | 29 | Very low | 29 | Very low | 103 Ų | 103 | 149.9 Ų | 149.9 | 72% | 0.72 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 134.8 | -166.2 | 50.1 | 0 | 0 | 0 | 0 | 114.5 | G856 | S854-G856 PolarHBondContact O-N 3.35Š|
| 855 | E | 26.4 | Very low | 29.2 | Very low | 203 Ų | 203 | 147.8 Ų | 147.8 | 95% | 0.949 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 119.3 | 160.5 | -66.9 | 177.8 | 130 | 0 | 0 | 110.3 | ||
| 856 | G | 29.8 | Very low | 29.7 | Very low | 70 Ų | 70 | 141.4 Ų | 141.4 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | trans | -119.6 | 62.6 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | S854 | S854-G856 PolarHBondContact O-N 3.35Š| ||
| 857 | A | 27 | Very low | 30.2 | Very low | 98 Ų | 98 | 138.9 Ų | 138.9 | 81% | 0.81 | 76% | 0.764 | S | S | * | * | trans | 40.5 | 90.9 | 157.1 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 858 | R | 29.5 | Very low | 30.7 | Very low | 251 Ų | 251 | 135.2 Ų | 135.2 | 95% | 0.947 | 74% | 0.739 | S | S | * | * | trans | -138.1 | 64.6 | 147.7 | -79.7 | -165.3 | 175.4 | 162 | 1.2 | 112.3 | G860 | R858-G860 PolarHBondContact O-N 3.4Š| ||
| 859 | N | 27.6 | Very low | 31.4 | Very low | 179 Ų | 179 | 131.2 Ų | 131.2 | 96% | 0.957 | 72% | 0.717 | S | S | * | * | trans | -79.2 | 106.8 | 163.2 | -83.4 | -5.9 | 0 | 0 | 0 | 109.5 | ||||
| 860 | G | 30.6 | Very low | 31.8 | Very low | 57 Ų | 57 | 130.3 Ų | 130.3 | 59% | 0.588 | 71% | 0.712 | S | S | * | * | trans | -136.3 | 98.5 | 174 | 0 | 0 | 0 | 0 | 0 | 110.9 | R858 | R858-G860 PolarHBondContact O-N 3.4Š| ||
| 861 | Y | 29.2 | Very low | 32.5 | Very low | 234 Ų | 234 | 124.3 Ų | 124.3 | 92% | 0.918 | 68% | 0.681 | S | S | * | * | trans | 21.6 | 93.5 | 164.1 | -76.3 | -92 | 0 | 0 | 0 | 118.3 | ||||
| 862 | F | 30.8 | Very low | 33 | Very low | 188 Ų | 188 | 120.1 Ų | 120.1 | 83% | 0.825 | 66% | 0.66 | S | S | * | * | trans | -88.8 | 104.2 | 149.3 | -81.8 | -88.5 | 0 | 0 | 0 | 108.8 | Y865 | F862-Y865 HydrophobicContact CD1-CD2 4.25Š| ||
| 863 | G | 31 | Very low | 33.2 | Very low | 49 Ų | 49 | 120.9 Ų | 120.9 | 51% | 0.505 | 65% | 0.653 | S | S | . | * | trans | -83.9 | 166.4 | 154.7 | 0 | 0 | 0 | 0 | 0 | 110 | Y865 | G863-Y865 WeakPolarHBondContact O-CD2 3.43Å; G863-Y865 PolarHBondContact O-N 3.46Å | ||
| 864 | D | 31.1 | Very low | 33.3 | Very low | 180 Ų | 180 | 121 Ų | 121 | 96% | 0.963 | 64% | 0.642 | S | S | * | * | trans | -60.7 | 96.1 | -174.7 | -62.2 | -58.9 | 0 | 0 | 0 | 112.8 | ||||
| 865 | Y | 33.1 | Very low | 33.2 | Very low | 147 Ų | 147 | 123.5 Ų | 123.5 | 58% | 0.576 | 65% | 0.647 | S | S | * | * | trans | -83.2 | 133.3 | 175.8 | -82.7 | -81.5 | 0 | 0 | 0 | 111.7 | F862 G863 | F862-Y865 HydrophobicContact CD1-CD2 4.25Å; G863-Y865 WeakPolarHBondContact O-CD2 3.43Å; G863-Y865 PolarHBondContact O-N 3.46Å | ||
| 866 | N | 40.1 | Very low | 33.5 | Very low | 72 Ų | 72 | 120 Ų | 120 | 39% | 0.385 | 64% | 0.64 | S | S | . | * | trans | -67.8 | 128.4 | 168.6 | 179.4 | -1.6 | 0 | 0 | 0 | 109.2 | L868 D869 | N866-L868 PolarHBondContact O-N 2.92Å; N866-L868 PolarHBondContact OD1-N 2.99Å; N866-D869 WeakPolarHBondContact CB-OD2 3.43Å; N866-D869 WeakPolarHBondContact O-CB 3.47Å; N866-D869 PolarHBondContact O-N 3.49Å | ||
| 867 | P | 36.6 | Very low | 33.5 | Very low | 61 Ų | 61 | 122.1 Ų | 122.1 | 40% | 0.396 | 64% | 0.643 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -54.6 | -22.6 | 180 | -29.1 | 36.2 | 0 | 0 | 0 | 115.3 | Y563 | Y563-P867 HydrophobicContact CG-CB 4.47Š|
| 868 | L | 43.3 | Very low | 33.6 | Very low | 52 Ų | 52 | 126.4 Ų | 126.4 | 27% | 0.272 | 64% | 0.644 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.5 | -27.3 | 175.1 | -72.6 | 170.2 | 0 | 0 | 0 | 114 | Y563 N866 N872 | Y563-L868 HydrophobicContact CD1-CD2 4.42Å; Y563-L868 HydrophobicContact CE1-CD1 4.03Å; Y563-L868 HydrophobicContact CE1-CD2 3.79Å; Y563-L868 HydrophobicContact CE1-CG 3.72Å; N866-L868 PolarHBondContact O-N 2.92Å; N866-L868 PolarHBondContact OD1-N 2.99Å; L868-N872 WeakPolarHBondContact O-CB 3.39Å; L868-N872 PolarHBondContact O-N 3.35Å |
| 869 | D | 42.5 | Very low | 33.7 | Very low | 75 Ų | 75 | 121 Ų | 121 | 40% | 0.401 | 64% | 0.638 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.1 | -25.9 | -177.3 | -65.2 | -27.8 | 0 | 0 | 0 | 112.2 | N866 V871 | N866-D869 WeakPolarHBondContact CB-OD2 3.43Å; N866-D869 WeakPolarHBondContact O-CB 3.47Å; N866-D869 PolarHBondContact O-N 3.49Å; D869-V871 PolarHBondContact O-N 3.44Å |
| 870 | L | 40.3 | Very low | 33.9 | Very low | 121 Ų | 121 | 121.4 Ų | 121.4 | 63% | 0.634 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | -11.5 | -178.7 | -81.2 | 159.9 | 0 | 0 | 0 | 114.4 | ||
| 871 | V | 41.2 | Very low | 34 | Very low | 42 Ų | 42 | 128 Ų | 128 | 26% | 0.255 | 67% | 0.671 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -130.2 | -10.3 | -178.8 | -168.3 | 0 | 0 | 0 | 0 | 112.5 | D869 | D869-V871 PolarHBondContact O-N 3.44Š|
| 872 | N | 37.5 | Very low | 34.2 | Very low | 62 Ų | 62 | 122.7 Ų | 122.7 | 33% | 0.332 | 66% | 0.659 | S | S | . | * | trans | -112.7 | 82.6 | 173.4 | -76.3 | -63.8 | 0 | 0 | 0 | 111.6 | L868 K874 | L868-N872 WeakPolarHBondContact O-CB 3.39Å; L868-N872 PolarHBondContact O-N 3.35Å; N872-K874 PolarHBondContact O-N 3.35Å | ||
| 873 | H | 31.4 | Very low | 34.4 | Very low | 153 Ų | 153 | 119.2 Ų | 119.2 | 71% | 0.708 | 65% | 0.65 | S | S | * | * | trans | -70.5 | 65 | 159.3 | -88 | -44.7 | 0 | 0 | 0 | 111.5 | ||||
| 874 | K | 31.6 | Very low | 34.6 | Very low | 144 Ų | 144 | 123.1 Ų | 123.1 | 63% | 0.626 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -135.9 | 111.4 | 167.9 | -73.9 | 176.2 | -178 | 163.8 | 0 | 107.9 | N872 | N872-K874 PolarHBondContact O-N 3.35Š|
| 875 | N | 27.7 | Very low | 34.8 | Very low | 155 Ų | 155 | 119.8 Ų | 119.8 | 83% | 0.829 | 64% | 0.641 | S | S | * | * | S | Bend | trans | 79.5 | 48.7 | 167.5 | -51.3 | -30.6 | 0 | 0 | 0 | 119.8 | ||
| 876 | V | 31.9 | Very low | 34.9 | Very low | 130 Ų | 130 | 118.1 Ų | 118.1 | 79% | 0.788 | 65% | 0.645 | S | S | * | * | trans | -127.7 | 87.9 | 146.4 | -170.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 877 | S | 29 | Very low | 34.6 | Very low | 114 Ų | 114 | 121.1 Ų | 121.1 | 80% | 0.797 | 66% | 0.662 | S | S | * | * | trans | -132.7 | 62 | 167.2 | 49.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 878 | K | 30.4 | Very low | 34.4 | Very low | 188 Ų | 188 | 125.4 Ų | 125.4 | 82% | 0.817 | 68% | 0.681 | S | S | * | * | trans | -169.9 | 142.5 | 163.5 | -110.3 | 165.6 | -175.5 | 178.8 | 0 | 109.3 | ||||
| 879 | V | 31.6 | Very low | 33.7 | Very low | 137 Ų | 137 | 131.1 Ų | 131.1 | 83% | 0.83 | 71% | 0.712 | S | S | * | * | S | Bend | trans | 102.4 | 129.7 | -175.7 | -178.9 | 0 | 0 | 0 | 0 | 112.2 | ||
| 880 | E | 31.7 | Very low | 33 | Very low | 188 Ų | 188 | 135.8 Ų | 135.8 | 88% | 0.879 | 74% | 0.738 | S | S | * | * | trans | 76 | 58.7 | 178.2 | -70.8 | 174.9 | -154.9 | 0 | 0 | 119.7 | ||||
| 881 | S | 31.7 | Very low | 32.3 | Very low | 195 Ų | 195 | 137.1 Ų | 137.1 | 100% | 1.364 | 75% | 0.748 | S | S | * | * | -156.6 | 0 | 116.1 | 75.5 | 0 | 0 | 0 | 0 | 111.1 |
Retrieved 881 of 881 residues in 374.3 ms
(Link to these results)