| 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 | 55.4 | Low | 74.1 | Confident | 244 Ų | 244 | 104.5 Ų | 104.5 | 100% | 1.202 | 56% | 0.561 | S | S | * | * | 0 | 116.6 | 0 | -76.4 | 163.4 | 170.2 | 0 | 0 | 104.6 | |||||
| 2 | D | 73.2 | Confident | 74.8 | Confident | 168 Ų | 168 | 105.2 Ų | 105.2 | 90% | 0.898 | 57% | 0.565 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 139.4 | 169.8 | -97 | -28.2 | 0 | 0 | 0 | 108.5 | ||
| 3 | A | 73.3 | Confident | 75.8 | Confident | 62 Ų | 62 | 102.8 Ų | 102.8 | 51% | 0.512 | 55% | 0.546 | S | S | . | . | P | Polyproline II helix | trans | -75.2 | 128.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | T5 | A3-T5 PolarHBondContact O-N 2.92Š|
| 4 | V | 71.6 | Confident | 77 | Confident | 79 Ų | 79 | 100.9 Ų | 100.9 | 48% | 0.479 | 54% | 0.54 | S | S | . | . | P | Polyproline II helix | trans | -68.2 | 129 | 170.9 | 179.4 | 0 | 0 | 0 | 0 | 107.9 | D8 V9 | V4-D8 HydrophobicContact CG1-CB 4.17Å; V4-V9 HydrophobicContact CG1-CG1 3.89Å |
| 5 | T | 74.2 | Confident | 77.8 | Confident | 71 Ų | 71 | 105.1 Ų | 105.1 | 44% | 0.436 | 56% | 0.556 | S | S | . | * | trans | -110.7 | 167.5 | -178.5 | 69.9 | 0 | 0 | 0 | 0 | 111.2 | A3 D7 D8 | A3-T5 PolarHBondContact O-N 2.92Å; T5-D7 VanDerWaalsContact C-N 3.26Å; T5-D7 PolarHBondContact O-N 3.31Å; T5-D8 WeakPolarHBondContact CA-OD2 3.28Å; T5-D8 WeakPolarHBondContact CB-OD2 3.36Å; T5-D8 PolarHBondContact N-OD2 2.77Å; T5-D8 WeakPolarHBondContact O-CB 3.33Å; T5-D8 PolarHBondContact O-N 2.54Å; T5-D8 VanDerWaalsContact O-N 3.1Å; T5-D8 PolarHBondContact OG1-OD2 3.47Å | ||
| 6 | Y | 70.2 | Confident | 78.9 | Confident | 91 Ų | 91 | 108.6 Ų | 108.6 | 36% | 0.357 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -54 | -43.4 | 176.7 | 168.6 | -101.9 | 0 | 0 | 0 | 112.5 | D8 V9 H10 W47 | Y6-D8 PolarHBondContact O-N 3.38Å; Y6-V9 WeakPolarHBondContact O-CG2 3.39Å; Y6-V9 PolarHBondContact O-N 3.07Å; Y6-V9 VanDerWaalsContact O-N 3.09Å; Y6-H10 HydrophobicContact CD1-CB 4.23Å; Y6-H10 HydrophobicContact CD2-CB 3.88Å; Y6-H10 HydrophobicContact CE1-CB 3.89Å; Y6-H10 AromaticContact CE1-CG 3.91Å; Y6-H10 HydrophobicContact CE2-CB 3.5Å; Y6-H10 AromaticContact CE2-CD2 3.27Å; Y6-H10 WeakPolarHBondContact CE2-CD2 3.48Å; Y6-H10 AromaticContact CE2-CG 3.47Å; Y6-H10 VanDerWaalsContact CE2-CG 3.47Å; Y6-H10 HydrophobicContact CG-CB 4.26Å; Y6-H10 AromaticContact CZ-CD2 3.29Å; Y6-H10 AromaticContact CZ-CG 3.25Å; Y6-H10 AromaticContact CZ-ND1 3.8Å; Y6-H10 AromaticContact CZ-NE2 3.88Å; Y6-H10 VanDerWaalsContact O-CB 3.27Å; Y6-H10 WeakPolarHBondContact O-CB 3.34Å; Y6-H10 PolarHBondContact O-N 3.13Å; Y6-H10 PolarHBondContact OH-CD2 3.18Å; Y6-H10 PolarHBondContact OH-CE1 2.95Å; Y6-H10 PolarHBondContact OH-ND1 3.23Å; Y6-H10 PolarHBondContact OH-NE2 3.03Å; Y6-W47 HydrophobicContact CD2-CE3 4.37Å; Y6-W47 AromaticContact CD2-CH2 3.14Å; Y6-W47 HydrophobicContact CD2-CH2 3.14Å; Y6-W47 AromaticContact CD2-CZ2 3.49Å; Y6-W47 HydrophobicContact CD2-CZ2 3.49Å; Y6-W47 VanDerWaalsContact CD2-CZ2 3.49Å; Y6-W47 AromaticContact CD2-CZ3 3.6Å; Y6-W47 HydrophobicContact CD2-CZ3 3.6Å; Y6-W47 AromaticContact CE2-CH2 3.11Å; Y6-W47 HydrophobicContact CE2-CH2 3.11Å; Y6-W47 AromaticContact CE2-CZ2 3.15Å; Y6-W47 HydrophobicContact CE2-CZ2 3.15Å; Y6-W47 HydrophobicContact CE2-CZ3 4.06Å; Y6-W47 HydrophobicContact CG-CH2 4.5Å |
| 7 | D | 77.3 | Confident | 79.8 | Confident | 124 Ų | 124 | 107.7 Ų | 107.7 | 66% | 0.663 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -65.9 | -21.2 | -178.3 | -69.4 | -22.5 | 0 | 0 | 0 | 112.5 | T5 V9 | T5-D7 VanDerWaalsContact C-N 3.26Å; T5-D7 PolarHBondContact O-N 3.31Å; D7-V9 VanDerWaalsContact C-N 3.32Å |
| 8 | D | 80.4 | Confident | 80.5 | Confident | 109 Ų | 109 | 105.5 Ų | 105.5 | 58% | 0.583 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -77 | -21.4 | 177.6 | -59.8 | -56 | 0 | 0 | 0 | 112.6 | V4 T5 Y6 | V4-D8 HydrophobicContact CG1-CB 4.17Å; T5-D8 WeakPolarHBondContact CA-OD2 3.28Å; T5-D8 WeakPolarHBondContact CB-OD2 3.36Å; T5-D8 PolarHBondContact N-OD2 2.77Å; T5-D8 WeakPolarHBondContact O-CB 3.33Å; T5-D8 PolarHBondContact O-N 2.54Å; T5-D8 VanDerWaalsContact O-N 3.1Å; T5-D8 PolarHBondContact OG1-OD2 3.47Å; Y6-D8 PolarHBondContact O-N 3.38Å |
| 9 | V | 79.9 | Confident | 81.2 | Confident | 53 Ų | 53 | 106.1 Ų | 106.1 | 32% | 0.321 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -119.4 | -20.2 | -173.1 | -60.5 | 0 | 0 | 0 | 0 | 113.8 | V4 Y6 D7 T36 L40 | V4-V9 HydrophobicContact CG1-CG1 3.89Å; Y6-V9 WeakPolarHBondContact O-CG2 3.39Å; Y6-V9 PolarHBondContact O-N 3.07Å; Y6-V9 VanDerWaalsContact O-N 3.09Å; D7-V9 VanDerWaalsContact C-N 3.32Å; V9-T36 HydrophobicContact CB-CG2 3.97Å; V9-T36 HydrophobicContact CG2-CG2 3.84Å; V9-L40 HydrophobicContact CG2-CD1 4.34Å |
| 10 | H | 78.4 | Confident | 82 | Confident | 30 Ų | 30 | 108.2 Ų | 108.2 | 14% | 0.139 | 56% | 0.559 | C | S | . | * | trans | -91.8 | 129.8 | -176.5 | -172.8 | -78.3 | 0 | 0 | 0 | 112.4 | Y6 N12 Y29 M33 | Y6-H10 HydrophobicContact CD1-CB 4.23Å; Y6-H10 HydrophobicContact CD2-CB 3.88Å; Y6-H10 HydrophobicContact CE1-CB 3.89Å; Y6-H10 AromaticContact CE1-CG 3.91Å; Y6-H10 HydrophobicContact CE2-CB 3.5Å; Y6-H10 AromaticContact CE2-CD2 3.27Å; Y6-H10 WeakPolarHBondContact CE2-CD2 3.48Å; Y6-H10 AromaticContact CE2-CG 3.47Å; Y6-H10 VanDerWaalsContact CE2-CG 3.47Å; Y6-H10 HydrophobicContact CG-CB 4.26Å; Y6-H10 AromaticContact CZ-CD2 3.29Å; Y6-H10 AromaticContact CZ-CG 3.25Å; Y6-H10 AromaticContact CZ-ND1 3.8Å; Y6-H10 AromaticContact CZ-NE2 3.88Å; Y6-H10 VanDerWaalsContact O-CB 3.27Å; Y6-H10 WeakPolarHBondContact O-CB 3.34Å; Y6-H10 PolarHBondContact O-N 3.13Å; Y6-H10 PolarHBondContact OH-CD2 3.18Å; Y6-H10 PolarHBondContact OH-CE1 2.95Å; Y6-H10 PolarHBondContact OH-ND1 3.23Å; Y6-H10 PolarHBondContact OH-NE2 3.03Å; H10-N12 PolarHBondContact CE1-OD1 2.92Å; H10-N12 PolarHBondContact ND1-N 3.45Å; H10-N12 PolarHBondContact ND1-OD1 3.3Å; H10-Y29 PolarHBondContact CE1-OH 3.47Å; H10-Y29 PolarHBondContact NE2-OH 3.3Å; H10-M33 HydrophobicContact CB-CE 4.29Å; H10-M33 WeakPolarHBondContact CD2-CE 3.4Å | ||
| 11 | M | 80.9 | Confident | 82.6 | Confident | 118 Ų | 118 | 104.5 Ų | 104.5 | 58% | 0.581 | 54% | 0.54 | S | S | * | . | trans | -96.6 | 109.1 | 168.7 | -71.5 | -172.6 | -58.8 | 0 | 0 | 110.1 | Y29 | M11-Y29 HydrophobicContact CB-CE2 4.42Å; M11-Y29 VanDerWaalsContact O-CE2 3.27Å; M11-Y29 WeakPolarHBondContact O-CE2 3.27Å; M11-Y29 PolarHBondContact O-OH 2.95Å | ||
| 12 | N | 82.6 | Confident | 84.5 | Confident | 113 Ų | 113 | 96.5 Ų | 96.5 | 60% | 0.604 | 50% | 0.502 | S | S | * | . | P | Polyproline II helix | trans | -80.2 | 125.5 | 173.2 | -75.3 | -39 | 0 | 0 | 0 | 110.2 | H10 | H10-N12 PolarHBondContact CE1-OD1 2.92Å; H10-N12 PolarHBondContact ND1-N 3.45Å; H10-N12 PolarHBondContact ND1-OD1 3.3Å |
| 13 | F | 88.5 | Confident | 85.5 | Confident | 74 Ų | 74 | 93.6 Ų | 93.6 | 33% | 0.325 | 50% | 0.495 | S | S | . | . | P | Polyproline II helix | trans | -97.8 | 139.3 | 163.7 | -63.6 | -79 | 0 | 0 | 0 | 109.2 | E17 W18 L21 Y29 | F13-E17 HydrophobicContact CB-CB 4.31Å; F13-E17 HydrophobicContact CD1-CB 4.14Å; F13-W18 HydrophobicContact CB-CB 4.24Å; F13-W18 HydrophobicContact CB-CE3 4.12Å; F13-W18 AromaticContact CD2-CE3 3.74Å; F13-W18 HydrophobicContact CD2-CE3 3.74Å; F13-W18 AromaticContact CD2-CZ3 3.9Å; F13-W18 HydrophobicContact CD2-CZ3 3.9Å; F13-W18 HydrophobicContact CE2-CE3 4.45Å; F13-W18 HydrophobicContact CE2-CZ3 4.28Å; F13-W18 HydrophobicContact CG-CE3 4.06Å; F13-L21 HydrophobicContact CD1-CD1 4.21Å; F13-L21 HydrophobicContact CD2-CD1 4.3Å; F13-L21 HydrophobicContact CE1-CD1 4.06Å; F13-L21 HydrophobicContact CE1-CD2 4.33Å; F13-L21 HydrophobicContact CE2-CD1 4.15Å; F13-L21 HydrophobicContact CG-CD1 4.33Å; F13-L21 HydrophobicContact CZ-CD1 4.03Å; F13-Y29 HydrophobicContact CD2-CD2 4.18Å; F13-Y29 AromaticContact CD2-CE2 3.99Å; F13-Y29 HydrophobicContact CD2-CE2 3.99Å; F13-Y29 AromaticContact CE2-CD2 3.5Å; F13-Y29 HydrophobicContact CE2-CD2 3.5Å; F13-Y29 VanDerWaalsContact CE2-CD2 3.5Å; F13-Y29 AromaticContact CE2-CE2 3.68Å; F13-Y29 HydrophobicContact CE2-CE2 3.68Å; F13-Y29 HydrophobicContact CE2-CG 4.07Å |
| 14 | T | 91.6 | Very high | 86.6 | Confident | 76 Ų | 76 | 94.5 Ų | 94.5 | 47% | 0.466 | 50% | 0.497 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 161.6 | 160.7 | 60.1 | 0 | 0 | 0 | 0 | 110.2 | E16 E17 W18 | T14-E16 PolarHBondContact O-N 2.76Å; T14-E17 WeakPolarHBondContact CB-OE2 3.29Å; T14-E17 WeakPolarHBondContact CG2-OE2 3.46Å; T14-E17 PolarHBondContact N-OE2 2.94Å; T14-E17 PolarHBondContact O-N 3.42Å; T14-E17 WeakPolarHBondContact OG1-CB 3.48Å; T14-E17 WeakPolarHBondContact OG1-CG 3.2Å; T14-E17 PolarHBondContact OG1-N 3.39Å; T14-E17 PolarHBondContact OG1-OE2 3.12Å; T14-W18 WeakPolarHBondContact O-CB 3.33Å; T14-W18 PolarHBondContact O-N 3.02Å |
| 15 | E | 90.2 | Very high | 87.7 | Confident | 164 Ų | 164 | 94.8 Ų | 94.8 | 77% | 0.766 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -57.2 | -40.5 | 177.3 | -171.3 | 175.3 | -175.4 | 0 | 0 | 111.7 | W18 D19 | E15-W18 PolarHBondContact O-N 3.47Å; E15-D19 PolarHBondContact O-N 3.44Å |
| 16 | E | 94.6 | Very high | 88.6 | Confident | 161 Ų | 161 | 93.7 Ų | 93.7 | 75% | 0.752 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -64.2 | -42.9 | 176.5 | -63.3 | 175.7 | -177.5 | 0 | 0 | 112.2 | T14 D19 L20 | T14-E16 PolarHBondContact O-N 2.76Å; E16-D19 PolarHBondContact O-N 3.45Å; E16-L20 VanDerWaalsContact O-CG 3.32Å; E16-L20 WeakPolarHBondContact O-CG 3.27Å; E16-L20 PolarHBondContact O-N 3.19Å |
| 17 | E | 93.8 | Very high | 89.6 | Confident | 94 Ų | 94 | 96.8 Ų | 96.8 | 44% | 0.439 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -68.3 | -38.8 | 176.1 | -71.5 | 163.9 | 145 | 0 | 0 | 111.7 | F13 T14 D19 L20 L21 | F13-E17 HydrophobicContact CB-CB 4.31Å; F13-E17 HydrophobicContact CD1-CB 4.14Å; T14-E17 WeakPolarHBondContact CB-OE2 3.29Å; T14-E17 WeakPolarHBondContact CG2-OE2 3.46Å; T14-E17 PolarHBondContact N-OE2 2.94Å; T14-E17 PolarHBondContact O-N 3.42Å; T14-E17 WeakPolarHBondContact OG1-CB 3.48Å; T14-E17 WeakPolarHBondContact OG1-CG 3.2Å; T14-E17 PolarHBondContact OG1-N 3.39Å; T14-E17 PolarHBondContact OG1-OE2 3.12Å; E17-D19 VanDerWaalsContact C-N 3.33Å; E17-D19 PolarHBondContact O-N 3.37Å; E17-L20 PolarHBondContact O-N 2.94Å; E17-L21 PolarHBondContact O-N 3.03Å |
| 18 | W | 93.1 | Very high | 90.4 | Very high | 68 Ų | 68 | 95.7 Ų | 95.7 | 26% | 0.258 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.3 | -40.3 | 177.1 | -173.3 | -105.7 | 0 | 0 | 0 | 111.4 | F13 T14 E15 L20 L21 K26 Y29 | F13-W18 HydrophobicContact CB-CB 4.24Å; F13-W18 HydrophobicContact CB-CE3 4.12Å; F13-W18 AromaticContact CD2-CE3 3.74Å; F13-W18 HydrophobicContact CD2-CE3 3.74Å; F13-W18 AromaticContact CD2-CZ3 3.9Å; F13-W18 HydrophobicContact CD2-CZ3 3.9Å; F13-W18 HydrophobicContact CE2-CE3 4.45Å; F13-W18 HydrophobicContact CE2-CZ3 4.28Å; F13-W18 HydrophobicContact CG-CE3 4.06Å; T14-W18 WeakPolarHBondContact O-CB 3.33Å; T14-W18 PolarHBondContact O-N 3.02Å; E15-W18 PolarHBondContact O-N 3.47Å; W18-L20 PolarHBondContact O-N 2.94Å; W18-L21 HydrophobicContact CD2-CD1 4.31Å; W18-L21 HydrophobicContact CE3-CD1 3.55Å; W18-L21 HydrophobicContact CZ3-CD1 3.8Å; W18-L21 WeakPolarHBondContact O-CB 3.45Å; W18-L21 PolarHBondContact O-N 3.38Å; W18-K26 HydrophobicContact CD2-CG 4.45Å; W18-K26 HydrophobicContact CH2-CB 3.95Å; W18-K26 HydrophobicContact CH2-CG 3.93Å; W18-K26 HydrophobicContact CZ2-CB 3.93Å; W18-K26 HydrophobicContact CZ2-CD 3.92Å; W18-K26 HydrophobicContact CZ2-CG 3.72Å; W18-K26 HydrophobicContact CZ3-CG 4.39Å; W18-K26 WeakPolarHBondContact O-CE 3.4Å; W18-K26 PolarHBondContact O-NZ 2.94Å; W18-Y29 AromaticContact CH2-CD1 3.5Å; W18-Y29 HydrophobicContact CH2-CD1 3.5Å; W18-Y29 VanDerWaalsContact CH2-CD1 3.5Å; W18-Y29 HydrophobicContact CH2-CE1 4.06Å; W18-Y29 HydrophobicContact CH2-CG 4.2Å; W18-Y29 AromaticContact CZ3-CD1 3.47Å; W18-Y29 HydrophobicContact CZ3-CD1 3.47Å; W18-Y29 VanDerWaalsContact CZ3-CD1 3.47Å; W18-Y29 AromaticContact CZ3-CE1 3.87Å; W18-Y29 HydrophobicContact CZ3-CE1 3.87Å; W18-Y29 AromaticContact CZ3-CG 3.88Å; W18-Y29 HydrophobicContact CZ3-CG 3.88Å |
| 19 | D | 94.4 | Very high | 91 | Very high | 116 Ų | 116 | 92.6 Ų | 92.6 | 62% | 0.62 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -66.2 | -26.2 | 177.2 | -87.8 | -3.5 | 0 | 0 | 0 | 113.6 | E15 E16 E17 L21 | E15-D19 PolarHBondContact O-N 3.44Å; E16-D19 PolarHBondContact O-N 3.45Å; E17-D19 VanDerWaalsContact C-N 3.33Å; E17-D19 PolarHBondContact O-N 3.37Å; D19-L21 VanDerWaalsContact C-N 3.32Å |
| 20 | L | 96.1 | Very high | 91.4 | Very high | 148 Ų | 148 | 95.8 Ų | 95.8 | 78% | 0.775 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -78.7 | -14.4 | 176.1 | -66.8 | 171 | 0 | 0 | 0 | 113.5 | E16 E17 W18 | E16-L20 VanDerWaalsContact O-CG 3.32Å; E16-L20 WeakPolarHBondContact O-CG 3.27Å; E16-L20 PolarHBondContact O-N 3.19Å; E17-L20 PolarHBondContact O-N 2.94Å; W18-L20 PolarHBondContact O-N 2.94Å |
| 21 | L | 94.5 | Very high | 92.1 | Very high | 31 Ų | 31 | 98.7 Ų | 98.7 | 16% | 0.162 | 49% | 0.493 | C | S | . | . | S | Bend | trans | -73.8 | 138.5 | 178.3 | -63.5 | 178.7 | 0 | 0 | 0 | 111.7 | F13 E17 W18 D19 Q25 K26 | F13-L21 HydrophobicContact CD1-CD1 4.21Å; F13-L21 HydrophobicContact CD2-CD1 4.3Å; F13-L21 HydrophobicContact CE1-CD1 4.06Å; F13-L21 HydrophobicContact CE1-CD2 4.33Å; F13-L21 HydrophobicContact CE2-CD1 4.15Å; F13-L21 HydrophobicContact CG-CD1 4.33Å; F13-L21 HydrophobicContact CZ-CD1 4.03Å; E17-L21 PolarHBondContact O-N 3.03Å; W18-L21 HydrophobicContact CD2-CD1 4.31Å; W18-L21 HydrophobicContact CE3-CD1 3.55Å; W18-L21 HydrophobicContact CZ3-CD1 3.8Å; W18-L21 WeakPolarHBondContact O-CB 3.45Å; W18-L21 PolarHBondContact O-N 3.38Å; D19-L21 VanDerWaalsContact C-N 3.32Å; L21-Q25 HydrophobicContact CB-CB 4.09Å; L21-Q25 HydrophobicContact CD2-CB 4.07Å; L21-Q25 HydrophobicContact CG-CB 4.5Å; L21-K26 HydrophobicContact CB-CD 4.48Å; L21-K26 HydrophobicContact CB-CG 3.78Å; L21-K26 HydrophobicContact CD1-CG 4.27Å; L21-K26 WeakPolarHBondContact O-CE 2.79Å |
| 22 | D | 96.4 | Very high | 92.5 | Very high | 77 Ų | 77 | 96.2 Ų | 96.2 | 41% | 0.412 | 48% | 0.484 | S | S | . | . | trans | -74.9 | 165.7 | 170.1 | 73.4 | 59 | 0 | 0 | 0 | 111.9 | S24 Q25 K26 | D22-S24 PolarHBondContact O-N 2.88Å; D22-S24 VanDerWaalsContact OD1-CA 3.29Å; D22-S24 WeakPolarHBondContact OD1-CA 3.48Å; D22-S24 VanDerWaalsContact OD1-CB 3.28Å; D22-S24 WeakPolarHBondContact OD1-CB 3.28Å; D22-S24 PolarHBondContact OD1-N 3.3Å; D22-S24 PolarHBondContact OD1-OG 2.92Å; D22-Q25 PolarHBondContact O-N 3.19Å; D22-Q25 VanDerWaalsContact O-N 3.12Å; D22-Q25 PolarHBondContact OD1-N 3.35Å; D22-Q25 WeakPolarHBondContact OD2-CG 3.43Å; D22-Q25 PolarHBondContact OD2-OE1 3.49Å; D22-K26 PolarHBondContact O-N 2.95Å | ||
| 23 | S | 94.4 | Very high | 92.8 | Very high | 107 Ų | 107 | 92 Ų | 92 | 75% | 0.748 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -59.4 | -30.7 | -177.7 | -51.8 | 0 | 0 | 0 | 0 | 113.6 | R27 | S23-R27 WeakPolarHBondContact O-CB 3.47Å; S23-R27 PolarHBondContact O-N 3.44Å |
| 24 | S | 96.1 | Very high | 92.6 | Very high | 80 Ų | 80 | 93.3 Ų | 93.3 | 56% | 0.559 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -74.9 | -36.1 | 178.2 | 73.4 | 0 | 0 | 0 | 0 | 111.8 | D22 L28 | D22-S24 PolarHBondContact O-N 2.88Å; D22-S24 VanDerWaalsContact OD1-CA 3.29Å; D22-S24 WeakPolarHBondContact OD1-CA 3.48Å; D22-S24 VanDerWaalsContact OD1-CB 3.28Å; D22-S24 WeakPolarHBondContact OD1-CB 3.28Å; D22-S24 PolarHBondContact OD1-N 3.3Å; D22-S24 PolarHBondContact OD1-OG 2.92Å; S24-L28 WeakPolarHBondContact O-CB 3.47Å; S24-L28 PolarHBondContact O-N 3.31Å |
| 25 | Q | 93.6 | Very high | 92.5 | Very high | 86 Ų | 86 | 95.2 Ų | 95.2 | 40% | 0.402 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -67.9 | -44.7 | 175.6 | -68.4 | 175.2 | -35.6 | 0 | 0 | 112 | L21 D22 R27 L28 Y29 | L21-Q25 HydrophobicContact CB-CB 4.09Å; L21-Q25 HydrophobicContact CD2-CB 4.07Å; L21-Q25 HydrophobicContact CG-CB 4.5Å; D22-Q25 PolarHBondContact O-N 3.19Å; D22-Q25 VanDerWaalsContact O-N 3.12Å; D22-Q25 PolarHBondContact OD1-N 3.35Å; D22-Q25 WeakPolarHBondContact OD2-CG 3.43Å; D22-Q25 PolarHBondContact OD2-OE1 3.49Å; Q25-R27 VanDerWaalsContact C-N 3.32Å; Q25-R27 PolarHBondContact O-N 3.23Å; Q25-L28 PolarHBondContact O-N 3.47Å; Q25-Y29 PolarHBondContact O-N 3.03Å |
| 26 | K | 92.8 | Very high | 92.4 | Very high | 48 Ų | 48 | 88.9 Ų | 88.9 | 21% | 0.209 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -59.6 | -44.6 | 175.2 | -67.7 | -176.7 | 178.3 | -175.1 | 0 | 111.5 | W18 L21 D22 Y29 E30 | W18-K26 HydrophobicContact CD2-CG 4.45Å; W18-K26 HydrophobicContact CH2-CB 3.95Å; W18-K26 HydrophobicContact CH2-CG 3.93Å; W18-K26 HydrophobicContact CZ2-CB 3.93Å; W18-K26 HydrophobicContact CZ2-CD 3.92Å; W18-K26 HydrophobicContact CZ2-CG 3.72Å; W18-K26 HydrophobicContact CZ3-CG 4.39Å; W18-K26 WeakPolarHBondContact O-CE 3.4Å; W18-K26 PolarHBondContact O-NZ 2.94Å; L21-K26 HydrophobicContact CB-CD 4.48Å; L21-K26 HydrophobicContact CB-CG 3.78Å; L21-K26 HydrophobicContact CD1-CG 4.27Å; L21-K26 WeakPolarHBondContact O-CE 2.79Å; D22-K26 PolarHBondContact O-N 2.95Å; K26-Y29 WeakPolarHBondContact O-CB 3.42Å; K26-Y29 PolarHBondContact O-N 3.49Å; K26-E30 WeakPolarHBondContact O-CG 3.38Å; K26-E30 PolarHBondContact O-N 3.48Å |
| 27 | R | 92.7 | Very high | 91.9 | Very high | 155 Ų | 155 | 85.3 Ų | 85.3 | 59% | 0.585 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -64.2 | -43 | 177.7 | -166 | -174 | 116.6 | 177.8 | 2.7 | 112.2 | S23 Q25 Y29 E30 E31 | S23-R27 WeakPolarHBondContact O-CB 3.47Å; S23-R27 PolarHBondContact O-N 3.44Å; Q25-R27 VanDerWaalsContact C-N 3.32Å; Q25-R27 PolarHBondContact O-N 3.23Å; R27-Y29 VanDerWaalsContact C-N 3.3Å; R27-Y29 PolarHBondContact O-N 2.92Å; R27-E30 PolarHBondContact O-N 2.93Å; R27-E31 IonicContact CZ-OE1 3.27Å; R27-E31 VanDerWaalsContact CZ-OE1 3.27Å; R27-E31 IonicContact NE-OE1 2.77Å; R27-E31 PolarHBondContact NE-OE1 2.94Å; R27-E31 IonicContact NH2-OE1 2.92Å; R27-E31 PolarHBondContact NH2-OE1 3.38Å; R27-E31 WeakPolarHBondContact O-CG 3.32Å; R27-E31 PolarHBondContact O-N 3.4Å |
| 28 | L | 93.9 | Very high | 91.4 | Very high | 102 Ų | 102 | 85.7 Ų | 85.7 | 53% | 0.534 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -62.1 | -41.3 | 176.6 | 179.8 | 63.8 | 0 | 0 | 0 | 111.3 | S24 Q25 E31 V32 | S24-L28 WeakPolarHBondContact O-CB 3.47Å; S24-L28 PolarHBondContact O-N 3.31Å; Q25-L28 PolarHBondContact O-N 3.47Å; L28-E31 PolarHBondContact O-N 2.94Å; L28-V32 HydrophobicContact CD1-CG2 4.08Å; L28-V32 HydrophobicContact CG-CG2 4.38Å; L28-V32 WeakPolarHBondContact O-CB 3.5Å; L28-V32 VanDerWaalsContact O-CG2 3.28Å; L28-V32 WeakPolarHBondContact O-CG2 3.45Å; L28-V32 PolarHBondContact O-N 3.14Å |
| 29 | Y | 92.2 | Very high | 91.1 | Very high | 43 Ų | 43 | 86.2 Ų | 86.2 | 17% | 0.169 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -59.6 | -48.5 | 175 | 172.6 | -98.2 | 0 | 0 | 0 | 111.8 | H10 M11 F13 W18 Q25 K26 R27 E31 V32 M33 | H10-Y29 PolarHBondContact CE1-OH 3.47Å; H10-Y29 PolarHBondContact NE2-OH 3.3Å; M11-Y29 HydrophobicContact CB-CE2 4.42Å; M11-Y29 VanDerWaalsContact O-CE2 3.27Å; M11-Y29 WeakPolarHBondContact O-CE2 3.27Å; M11-Y29 PolarHBondContact O-OH 2.95Å; F13-Y29 HydrophobicContact CD2-CD2 4.18Å; F13-Y29 AromaticContact CD2-CE2 3.99Å; F13-Y29 HydrophobicContact CD2-CE2 3.99Å; F13-Y29 AromaticContact CE2-CD2 3.5Å; F13-Y29 HydrophobicContact CE2-CD2 3.5Å; F13-Y29 VanDerWaalsContact CE2-CD2 3.5Å; F13-Y29 AromaticContact CE2-CE2 3.68Å; F13-Y29 HydrophobicContact CE2-CE2 3.68Å; F13-Y29 HydrophobicContact CE2-CG 4.07Å; W18-Y29 AromaticContact CH2-CD1 3.5Å; W18-Y29 HydrophobicContact CH2-CD1 3.5Å; W18-Y29 VanDerWaalsContact CH2-CD1 3.5Å; W18-Y29 HydrophobicContact CH2-CE1 4.06Å; W18-Y29 HydrophobicContact CH2-CG 4.2Å; W18-Y29 AromaticContact CZ3-CD1 3.47Å; W18-Y29 HydrophobicContact CZ3-CD1 3.47Å; W18-Y29 VanDerWaalsContact CZ3-CD1 3.47Å; W18-Y29 AromaticContact CZ3-CE1 3.87Å; W18-Y29 HydrophobicContact CZ3-CE1 3.87Å; W18-Y29 AromaticContact CZ3-CG 3.88Å; W18-Y29 HydrophobicContact CZ3-CG 3.88Å; Q25-Y29 PolarHBondContact O-N 3.03Å; K26-Y29 WeakPolarHBondContact O-CB 3.42Å; K26-Y29 PolarHBondContact O-N 3.49Å; R27-Y29 VanDerWaalsContact C-N 3.3Å; R27-Y29 PolarHBondContact O-N 2.92Å; Y29-E31 PolarHBondContact O-N 2.71Å; Y29-V32 PolarHBondContact O-N 2.94Å; Y29-M33 HydrophobicContact CD1-CG 4.29Å; Y29-M33 HydrophobicContact CD2-CG 3.9Å; Y29-M33 HydrophobicContact CE1-CG 3.98Å; Y29-M33 HydrophobicContact CE2-CG 3.57Å; Y29-M33 HydrophobicContact CE2-SD 4.09Å; Y29-M33 HydrophobicContact CG-CG 4.29Å; Y29-M33 WeakPolarHBondContact O-CB 3.35Å; Y29-M33 VanDerWaalsContact O-CG 3.27Å; Y29-M33 WeakPolarHBondContact O-CG 3.26Å; Y29-M33 PolarHBondContact O-N 3.14Å |
| 30 | E | 89.1 | Confident | 90.5 | Very high | 120 Ų | 120 | 82.2 Ų | 82.2 | 56% | 0.561 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -59 | -45 | 176.6 | -71.6 | 173.2 | -175.8 | 0 | 0 | 112.1 | K26 R27 L34 | K26-E30 WeakPolarHBondContact O-CG 3.38Å; K26-E30 PolarHBondContact O-N 3.48Å; R27-E30 PolarHBondContact O-N 2.93Å; E30-L34 WeakPolarHBondContact O-CB 3.44Å; E30-L34 PolarHBondContact O-N 3.43Å |
| 31 | E | 92.1 | Very high | 89.7 | Confident | 91 Ų | 91 | 77.7 Ų | 77.7 | 43% | 0.425 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60.8 | -48.8 | 178.2 | -75.1 | 175.1 | -170.3 | 0 | 0 | 111.5 | R27 L28 Y29 L34 E35 | R27-E31 IonicContact CZ-OE1 3.27Å; R27-E31 VanDerWaalsContact CZ-OE1 3.27Å; R27-E31 IonicContact NE-OE1 2.77Å; R27-E31 PolarHBondContact NE-OE1 2.94Å; R27-E31 IonicContact NH2-OE1 2.92Å; R27-E31 PolarHBondContact NH2-OE1 3.38Å; R27-E31 WeakPolarHBondContact O-CG 3.32Å; R27-E31 PolarHBondContact O-N 3.4Å; L28-E31 PolarHBondContact O-N 2.94Å; Y29-E31 PolarHBondContact O-N 2.71Å; E31-L34 PolarHBondContact O-N 3.25Å; E31-E35 WeakPolarHBondContact O-CB 3.26Å; E31-E35 PolarHBondContact O-N 2.84Å |
| 32 | V | 89.7 | Confident | 89.1 | Confident | 66 Ų | 66 | 82.8 Ų | 82.8 | 40% | 0.4 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -66 | -43.2 | -179.4 | 170.4 | 0 | 0 | 0 | 0 | 111.4 | L28 Y29 E35 T36 | L28-V32 HydrophobicContact CD1-CG2 4.08Å; L28-V32 HydrophobicContact CG-CG2 4.38Å; L28-V32 WeakPolarHBondContact O-CB 3.5Å; L28-V32 VanDerWaalsContact O-CG2 3.28Å; L28-V32 WeakPolarHBondContact O-CG2 3.45Å; L28-V32 PolarHBondContact O-N 3.14Å; Y29-V32 PolarHBondContact O-N 2.94Å; V32-E35 PolarHBondContact O-N 3.18Å; V32-T36 WeakPolarHBondContact O-CB 3.38Å; V32-T36 PolarHBondContact O-N 3.32Å; V32-T36 PolarHBondContact O-OG1 3.35Å |
| 33 | M | 88.1 | Confident | 88.5 | Confident | 25 Ų | 25 | 85.1 Ų | 85.1 | 12% | 0.123 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -67.5 | -37.7 | 179.5 | -72.1 | -51.7 | -46.5 | 0 | 0 | 112 | H10 Y29 T36 Y37 W47 | H10-M33 HydrophobicContact CB-CE 4.29Å; H10-M33 WeakPolarHBondContact CD2-CE 3.4Å; Y29-M33 HydrophobicContact CD1-CG 4.29Å; Y29-M33 HydrophobicContact CD2-CG 3.9Å; Y29-M33 HydrophobicContact CE1-CG 3.98Å; Y29-M33 HydrophobicContact CE2-CG 3.57Å; Y29-M33 HydrophobicContact CE2-SD 4.09Å; Y29-M33 HydrophobicContact CG-CG 4.29Å; Y29-M33 WeakPolarHBondContact O-CB 3.35Å; Y29-M33 VanDerWaalsContact O-CG 3.27Å; Y29-M33 WeakPolarHBondContact O-CG 3.26Å; Y29-M33 PolarHBondContact O-N 3.14Å; M33-T36 PolarHBondContact O-N 3.35Å; M33-Y37 WeakPolarHBondContact O-CB 3.37Å; M33-Y37 PolarHBondContact O-N 2.76Å; M33-W47 HydrophobicContact CE-CH2 4.21Å |
| 34 | L | 85.8 | Confident | 87.4 | Confident | 101 Ų | 101 | 83.1 Ų | 83.1 | 53% | 0.529 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -65.2 | -45.6 | 175.7 | -177.8 | 65.7 | 0 | 0 | 0 | 112 | E30 E31 T36 Y37 Q38 | E30-L34 WeakPolarHBondContact O-CB 3.44Å; E30-L34 PolarHBondContact O-N 3.43Å; E31-L34 PolarHBondContact O-N 3.25Å; L34-T36 VanDerWaalsContact C-N 3.31Å; L34-T36 PolarHBondContact O-N 3.3Å; L34-Y37 WeakPolarHBondContact O-CB 3.28Å; L34-Y37 PolarHBondContact O-N 3.06Å; L34-Q38 WeakPolarHBondContact O-CG 3.27Å; L34-Q38 PolarHBondContact O-N 3.42Å |
| 35 | E | 90 | Very high | 86.2 | Confident | 117 Ų | 117 | 84.6 Ų | 84.6 | 55% | 0.547 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -63.1 | -40.2 | 176.4 | -176.3 | 169.6 | -159.3 | 0 | 0 | 111.1 | E31 V32 Y37 Q38 N39 | E31-E35 WeakPolarHBondContact O-CB 3.26Å; E31-E35 PolarHBondContact O-N 2.84Å; V32-E35 PolarHBondContact O-N 3.18Å; E35-Y37 PolarHBondContact O-N 3.28Å; E35-Q38 PolarHBondContact O-N 2.89Å; E35-N39 WeakPolarHBondContact O-CB 3.27Å; E35-N39 PolarHBondContact O-N 2.8Å; E35-N39 PolarHBondContact O-ND2 3.36Å; E35-N39 VanDerWaalsContact O-ND2 3.14Å |
| 36 | T | 87.6 | Confident | 84.7 | Confident | 30 Ų | 30 | 86 Ų | 86 | 18% | 0.184 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -60.8 | -45.2 | 175.3 | -57.5 | 0 | 0 | 0 | 0 | 111.4 | V9 V32 M33 L34 Q38 N39 L40 | V9-T36 HydrophobicContact CB-CG2 3.97Å; V9-T36 HydrophobicContact CG2-CG2 3.84Å; V32-T36 WeakPolarHBondContact O-CB 3.38Å; V32-T36 PolarHBondContact O-N 3.32Å; V32-T36 PolarHBondContact O-OG1 3.35Å; M33-T36 PolarHBondContact O-N 3.35Å; L34-T36 VanDerWaalsContact C-N 3.31Å; L34-T36 PolarHBondContact O-N 3.3Å; T36-Q38 PolarHBondContact O-N 2.97Å; T36-N39 PolarHBondContact O-N 3Å; T36-L40 HydrophobicContact CG2-CD1 4.14Å; T36-L40 VanDerWaalsContact O-CG 3.28Å; T36-L40 WeakPolarHBondContact O-CG 3.42Å; T36-L40 PolarHBondContact O-N 3.19Å |
| 37 | Y | 83.2 | Confident | 83.4 | Confident | 87 Ų | 87 | 86.8 Ų | 86.8 | 34% | 0.341 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -59.6 | -45 | 176.2 | 173.2 | -91.4 | 0 | 0 | 0 | 112.6 | M33 L34 E35 L40 T41 W47 | M33-Y37 WeakPolarHBondContact O-CB 3.37Å; M33-Y37 PolarHBondContact O-N 2.76Å; L34-Y37 WeakPolarHBondContact O-CB 3.28Å; L34-Y37 PolarHBondContact O-N 3.06Å; E35-Y37 PolarHBondContact O-N 3.28Å; Y37-L40 PolarHBondContact O-N 3.47Å; Y37-T41 WeakPolarHBondContact O-CB 3.4Å; Y37-T41 PolarHBondContact O-N 3.45Å; Y37-T41 PolarHBondContact O-OG1 2.98Å; Y37-W47 HydrophobicContact CD2-CB 3.98Å; Y37-W47 AromaticContact CD2-CD2 3.97Å; Y37-W47 HydrophobicContact CD2-CD2 3.97Å; Y37-W47 HydrophobicContact CD2-CE3 4.09Å; Y37-W47 AromaticContact CD2-CG 3.94Å; Y37-W47 HydrophobicContact CD2-CG 3.94Å; Y37-W47 HydrophobicContact CE2-CB 3.51Å; Y37-W47 HydrophobicContact CE2-CD2 4.33Å; Y37-W47 AromaticContact CE2-CG 3.8Å; Y37-W47 HydrophobicContact CE2-CG 3.8Å |
| 38 | Q | 84.3 | Confident | 81.7 | Confident | 101 Ų | 101 | 85.1 Ų | 85.1 | 47% | 0.472 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63 | -46.9 | 178.1 | -72.1 | 174 | -5.4 | 0 | 0 | 111.2 | L34 E35 T36 L40 T41 D42 | L34-Q38 WeakPolarHBondContact O-CG 3.27Å; L34-Q38 PolarHBondContact O-N 3.42Å; E35-Q38 PolarHBondContact O-N 2.89Å; T36-Q38 PolarHBondContact O-N 2.97Å; Q38-L40 VanDerWaalsContact C-N 3.34Å; Q38-L40 PolarHBondContact O-N 3.38Å; Q38-T41 PolarHBondContact O-N 3.27Å; Q38-D42 PolarHBondContact O-N 3.05Å |
| 39 | N | 86.9 | Confident | 79.7 | Confident | 80 Ų | 80 | 87 Ų | 87 | 43% | 0.428 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -60.5 | -42.2 | 178.3 | -71.9 | -30.9 | 0 | 0 | 0 | 112.4 | E35 T36 D42 I43 | E35-N39 WeakPolarHBondContact O-CB 3.27Å; E35-N39 PolarHBondContact O-N 2.8Å; E35-N39 PolarHBondContact O-ND2 3.36Å; E35-N39 VanDerWaalsContact O-ND2 3.14Å; T36-N39 PolarHBondContact O-N 3Å; N39-D42 PolarHBondContact O-N 2.95Å; N39-I43 WeakPolarHBondContact O-CD1 3.19Å; N39-I43 VanDerWaalsContact O-CG1 3.26Å; N39-I43 WeakPolarHBondContact O-CG1 3.46Å; N39-I43 PolarHBondContact O-N 2.78Å |
| 40 | L | 81.4 | Confident | 77.6 | Confident | 31 Ų | 31 | 92.7 Ų | 92.7 | 16% | 0.162 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -64.5 | -42.9 | 176.4 | -71.1 | 174.3 | 0 | 0 | 0 | 111.5 | V9 T36 Y37 Q38 D42 I43 G44 Y45 W47 | V9-L40 HydrophobicContact CG2-CD1 4.34Å; T36-L40 HydrophobicContact CG2-CD1 4.14Å; T36-L40 VanDerWaalsContact O-CG 3.28Å; T36-L40 WeakPolarHBondContact O-CG 3.42Å; T36-L40 PolarHBondContact O-N 3.19Å; Y37-L40 PolarHBondContact O-N 3.47Å; Q38-L40 VanDerWaalsContact C-N 3.34Å; Q38-L40 PolarHBondContact O-N 3.38Å; L40-D42 VanDerWaalsContact C-N 3.34Å; L40-D42 PolarHBondContact O-N 3.33Å; L40-I43 PolarHBondContact O-N 2.88Å; L40-G44 PolarHBondContact O-N 3.45Å; L40-Y45 WeakPolarHBondContact O-CB 3.44Å; L40-Y45 PolarHBondContact O-N 3.38Å; L40-W47 HydrophobicContact CD1-CE3 4.17Å; L40-W47 HydrophobicContact CD1-CZ3 3.94Å |
| 41 | T | 78.7 | Confident | 76 | Confident | 53 Ų | 53 | 94.6 Ų | 94.6 | 33% | 0.325 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.8 | -42.2 | 177 | -55.3 | 0 | 0 | 0 | 0 | 111.5 | Y37 Q38 I43 G44 Y45 | Y37-T41 WeakPolarHBondContact O-CB 3.4Å; Y37-T41 PolarHBondContact O-N 3.45Å; Y37-T41 PolarHBondContact O-OG1 2.98Å; Q38-T41 PolarHBondContact O-N 3.27Å; T41-I43 VanDerWaalsContact C-N 3.29Å; T41-I43 PolarHBondContact O-N 3.18Å; T41-G44 WeakPolarHBondContact O-CA 3.39Å; T41-G44 PolarHBondContact O-N 3.29Å; T41-Y45 WeakPolarHBondContact CA-O 3.4Å |
| 42 | D | 82.4 | Confident | 74.3 | Confident | 139 Ų | 139 | 96.8 Ų | 96.8 | 74% | 0.743 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.6 | -31.2 | 178.2 | -80.4 | -10 | 0 | 0 | 0 | 113.1 | Q38 N39 L40 G44 | Q38-D42 PolarHBondContact O-N 3.05Å; N39-D42 PolarHBondContact O-N 2.95Å; L40-D42 VanDerWaalsContact C-N 3.34Å; L40-D42 PolarHBondContact O-N 3.33Å; D42-G44 PolarHBondContact O-N 3.4Å |
| 43 | I | 82.9 | Confident | 72.7 | Confident | 126 Ų | 126 | 100.7 Ų | 100.7 | 65% | 0.646 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -4.5 | 175 | -59.4 | 162.4 | 0 | 0 | 0 | 111.2 | N39 L40 T41 Y45 | N39-I43 WeakPolarHBondContact O-CD1 3.19Å; N39-I43 VanDerWaalsContact O-CG1 3.26Å; N39-I43 WeakPolarHBondContact O-CG1 3.46Å; N39-I43 PolarHBondContact O-N 2.78Å; L40-I43 PolarHBondContact O-N 2.88Å; T41-I43 VanDerWaalsContact C-N 3.29Å; T41-I43 PolarHBondContact O-N 3.18Å; I43-Y45 HydrophobicContact CB-CD2 4.4Å; I43-Y45 HydrophobicContact CG2-CD2 4.15Å; I43-Y45 HydrophobicContact CG2-CE2 4.13Å |
| 44 | G | 72.3 | Confident | 71.2 | Confident | 64 Ų | 64 | 106.5 Ų | 106.5 | 66% | 0.66 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.5 | 15.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | L40 T41 D42 | L40-G44 PolarHBondContact O-N 3.45Å; T41-G44 WeakPolarHBondContact O-CA 3.39Å; T41-G44 PolarHBondContact O-N 3.29Å; D42-G44 PolarHBondContact O-N 3.4Å |
| 45 | Y | 71.2 | Confident | 69.7 | Low | 112 Ų | 112 | 109.3 Ų | 109.3 | 44% | 0.439 | 55% | 0.545 | S | S | . | . | trans | -85.5 | 120.6 | 170.7 | -75.8 | -97.7 | 0 | 0 | 0 | 109.8 | L40 T41 I43 | L40-Y45 WeakPolarHBondContact O-CB 3.44Å; L40-Y45 PolarHBondContact O-N 3.38Å; T41-Y45 WeakPolarHBondContact CA-O 3.4Å; I43-Y45 HydrophobicContact CB-CD2 4.4Å; I43-Y45 HydrophobicContact CG2-CD2 4.15Å; I43-Y45 HydrophobicContact CG2-CE2 4.13Å | ||
| 46 | N | 62.6 | Low | 68.2 | Low | 114 Ų | 114 | 107.9 Ų | 107.9 | 61% | 0.61 | 55% | 0.547 | S | S | * | . | trans | -94.8 | 117.1 | 175.3 | -123.6 | -42.1 | 0 | 0 | 0 | 109.4 | Q48 | N46-Q48 VanDerWaalsContact CB-OE1 3.29Å; N46-Q48 PolarHBondContact O-N 2.83Å; N46-Q48 VanDerWaalsContact O-N 3.08Å; N46-Q48 PolarHBondContact OD1-NE2 2.73Å; N46-Q48 PolarHBondContact OD1-OE1 2.69Å | ||
| 47 | W | 64.6 | Low | 66.3 | Low | 65 Ų | 65 | 114.3 Ų | 114.3 | 25% | 0.246 | 58% | 0.575 | C | S | . | * | trans | -70.5 | 4.8 | -176.9 | -172.5 | -84.6 | 0 | 0 | 0 | 114.2 | Y6 M33 Y37 L40 D49 | Y6-W47 HydrophobicContact CD2-CE3 4.37Å; Y6-W47 AromaticContact CD2-CH2 3.14Å; Y6-W47 HydrophobicContact CD2-CH2 3.14Å; Y6-W47 AromaticContact CD2-CZ2 3.49Å; Y6-W47 HydrophobicContact CD2-CZ2 3.49Å; Y6-W47 VanDerWaalsContact CD2-CZ2 3.49Å; Y6-W47 AromaticContact CD2-CZ3 3.6Å; Y6-W47 HydrophobicContact CD2-CZ3 3.6Å; Y6-W47 AromaticContact CE2-CH2 3.11Å; Y6-W47 HydrophobicContact CE2-CH2 3.11Å; Y6-W47 AromaticContact CE2-CZ2 3.15Å; Y6-W47 HydrophobicContact CE2-CZ2 3.15Å; Y6-W47 HydrophobicContact CE2-CZ3 4.06Å; Y6-W47 HydrophobicContact CG-CH2 4.5Å; M33-W47 HydrophobicContact CE-CH2 4.21Å; Y37-W47 HydrophobicContact CD2-CB 3.98Å; Y37-W47 AromaticContact CD2-CD2 3.97Å; Y37-W47 HydrophobicContact CD2-CD2 3.97Å; Y37-W47 HydrophobicContact CD2-CE3 4.09Å; Y37-W47 AromaticContact CD2-CG 3.94Å; Y37-W47 HydrophobicContact CD2-CG 3.94Å; Y37-W47 HydrophobicContact CE2-CB 3.51Å; Y37-W47 HydrophobicContact CE2-CD2 4.33Å; Y37-W47 AromaticContact CE2-CG 3.8Å; Y37-W47 HydrophobicContact CE2-CG 3.8Å; L40-W47 HydrophobicContact CD1-CE3 4.17Å; L40-W47 HydrophobicContact CD1-CZ3 3.94Å; W47-D49 PolarHBondContact O-N 2.82Å | ||
| 48 | Q | 56.7 | Low | 65.3 | Low | 120 Ų | 120 | 115.3 Ų | 115.3 | 56% | 0.561 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | 99.7 | -178 | -69.8 | 88.9 | 42.4 | 0 | 0 | 110.6 | N46 | N46-Q48 VanDerWaalsContact CB-OE1 3.29Å; N46-Q48 PolarHBondContact O-N 2.83Å; N46-Q48 VanDerWaalsContact O-N 3.08Å; N46-Q48 PolarHBondContact OD1-NE2 2.73Å; N46-Q48 PolarHBondContact OD1-OE1 2.69Å |
| 49 | D | 52.6 | Low | 63.9 | Low | 142 Ų | 142 | 115.3 Ų | 115.3 | 76% | 0.759 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | -169.4 | 14.4 | 126.1 | -97 | -15.2 | 0 | 0 | 0 | 116.8 | W47 | W47-D49 PolarHBondContact O-N 2.82Š| |
| 50 | H | 48.7 | Very low | 62.7 | Low | 162 Ų | 162 | 123.3 Ų | 123.3 | 75% | 0.75 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -128 | 93.6 | 172.2 | -63.8 | -57.7 | 0 | 0 | 0 | 113.5 | I52 | H50-I52 PolarHBondContact O-N 3.08Š|
| 51 | H | 54.2 | Low | 61.3 | Low | 161 Ų | 161 | 132.4 Ų | 132.4 | 75% | 0.745 | 66% | 0.662 | S | S | * | * | trans | -1.6 | 83.9 | 157 | -160.4 | -99.4 | 0 | 0 | 0 | 116.8 | E53 | H51-E53 VanDerWaalsContact CE1-CB 3.5Å; H51-E53 WeakPolarHBondContact CE1-CB 3.44Å; H51-E53 IonicContact CE1-OE2 3.35Å; H51-E53 PolarHBondContact CE1-OE2 3.34Å; H51-E53 PolarHBondContact O-N 2.93Å | ||
| 52 | I | 57.6 | Low | 60.2 | Low | 137 Ų | 137 | 138.8 Ų | 138.8 | 70% | 0.703 | 69% | 0.688 | S | S | * | * | trans | -84 | 91.1 | 156 | -56.2 | 175.1 | 0 | 0 | 0 | 105.5 | H50 E54 | H50-I52 PolarHBondContact O-N 3.08Å; I52-E54 VanDerWaalsContact C-N 3.27Å; I52-E54 PolarHBondContact O-N 3.09Å | ||
| 53 | E | 54.4 | Low | 58.7 | Low | 147 Ų | 147 | 141.4 Ų | 141.4 | 69% | 0.687 | 70% | 0.695 | S | S | * | * | trans | -67 | 90.1 | 169.9 | -165.5 | 172.2 | 179.5 | 0 | 0 | 108.5 | H51 H55 | H51-E53 VanDerWaalsContact CE1-CB 3.5Å; H51-E53 WeakPolarHBondContact CE1-CB 3.44Å; H51-E53 IonicContact CE1-OE2 3.35Å; H51-E53 PolarHBondContact CE1-OE2 3.34Å; H51-E53 PolarHBondContact O-N 2.93Å; E53-H55 PolarHBondContact O-N 3.2Å | ||
| 54 | E | 56.8 | Low | 57.3 | Low | 148 Ų | 148 | 147 Ų | 147 | 69% | 0.692 | 71% | 0.708 | S | S | * | * | trans | -76 | 77.7 | 171.2 | -159.6 | -166.7 | 168.8 | 0 | 0 | 109.1 | I52 C56 Q57 | I52-E54 VanDerWaalsContact C-N 3.27Å; I52-E54 PolarHBondContact O-N 3.09Å; E54-C56 PolarHBondContact O-N 2.88Å; E54-Q57 PolarHBondContact OE1-NE2 3.1Å | ||
| 55 | H | 55.1 | Low | 56 | Low | 160 Ų | 160 | 152.7 Ų | 152.7 | 74% | 0.741 | 72% | 0.717 | S | S | * | * | trans | -83.2 | 96.9 | 160.4 | -179 | -81.7 | 0 | 0 | 0 | 109 | E53 | E53-H55 PolarHBondContact O-N 3.2Š| ||
| 56 | C | 57.3 | Low | 54.9 | Low | 87 Ų | 87 | 154.5 Ų | 154.5 | 59% | 0.588 | 73% | 0.73 | S | S | * | * | 164.7 | 87.3 | 119.5 | -158.3 | 0 | 0 | 0 | 0 | 110 | E54 | E54-C56 PolarHBondContact O-N 2.88Š| |||
| 57 | Q | 49.1 | Very low | 54 | Low | 165 Ų | 165 | 158.9 Ų | 158.9 | 77% | 0.771 | 74% | 0.738 | S | S | * | * | trans | -119 | 81.9 | 154 | -64.9 | -166.4 | 14.2 | 0 | 0 | 108.4 | E54 S59 | E54-Q57 PolarHBondContact OE1-NE2 3.1Å; Q57-S59 PolarHBondContact O-N 2.76Å; Q57-S59 VanDerWaalsContact O-N 3.13Å | ||
| 58 | S | 61.8 | Low | 52.9 | Low | 108 Ų | 108 | 160.5 Ų | 160.5 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | trans | -51.3 | 116.2 | 163.4 | 57.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 59 | S | 54 | Low | 52.3 | Low | 100 Ų | 100 | 163 Ų | 163 | 70% | 0.699 | 77% | 0.77 | S | S | * | * | 159.1 | 94.1 | 129.8 | -172.1 | 0 | 0 | 0 | 0 | 110.9 | Q57 R61 | Q57-S59 PolarHBondContact O-N 2.76Å; Q57-S59 VanDerWaalsContact O-N 3.13Å; S59-R61 PolarHBondContact O-N 3.45Å | |||
| 60 | R | 62.1 | Low | 51.7 | Low | 249 Ų | 249 | 164.2 Ų | 164.2 | 94% | 0.94 | 78% | 0.775 | S | S | * | * | trans | -56.1 | 108.4 | 153.1 | -87.7 | 177.5 | 165.8 | 176 | -3.2 | 108.9 | ||||
| 61 | R | 52.7 | Low | 51.7 | Low | 221 Ų | 221 | 159.5 Ų | 159.5 | 83% | 0.834 | 77% | 0.77 | S | S | * | * | trans | -149.2 | 101.1 | 137.3 | -63 | -161.4 | 176.9 | -157.7 | -1.6 | 107 | S59 | S59-R61 PolarHBondContact O-N 3.45Š| ||
| 62 | H | 55.2 | Low | 51 | Low | 188 Ų | 188 | 161.1 Ų | 161.1 | 87% | 0.87 | 78% | 0.778 | S | S | * | * | 38.5 | 103.4 | 105.1 | -79.7 | -162.7 | 0 | 0 | 0 | 112.2 | |||||
| 63 | E | 50.5 | Low | 50.6 | Low | 193 Ų | 193 | 164.6 Ų | 164.6 | 90% | 0.902 | 79% | 0.788 | S | S | * | * | -171.1 | 120.1 | 122.4 | -158 | 142.9 | -156.7 | 0 | 0 | 109.7 | H65 | E63-H65 PolarHBondContact O-N 2.69Š| |||
| 64 | R | 53 | Low | 50.2 | Low | 245 Ų | 245 | 163.2 Ų | 163.2 | 93% | 0.925 | 79% | 0.792 | S | S | * | * | trans | -67.3 | 121 | 170.1 | -64.7 | 173.9 | -176.9 | 179.7 | -0.8 | 107.8 | ||||
| 65 | H | 45.1 | Very low | 49.6 | Very low | 183 Ų | 183 | 165.1 Ų | 165.1 | 85% | 0.847 | 79% | 0.794 | S | S | * | * | trans | -143.5 | 95.1 | 149.5 | -153.3 | 70.6 | 0 | 0 | 0 | 110.1 | E63 | E63-H65 PolarHBondContact O-N 2.69Š| ||
| 66 | E | 48.4 | Very low | 49.3 | Very low | 150 Ų | 150 | 166.7 Ų | 166.7 | 70% | 0.701 | 80% | 0.801 | S | S | * | * | trans | -75.8 | 133.5 | 171.5 | -159 | -178.5 | 172.5 | 0 | 0 | 108.9 | ||||
| 67 | R | 44.8 | Very low | 48.6 | Very low | 206 Ų | 206 | 172.1 Ų | 172.1 | 78% | 0.777 | 81% | 0.81 | S | S | * | * | trans | 67.6 | 104.8 | 148.2 | -166.8 | 170.7 | -80.5 | 151.5 | -4 | 119.1 | ||||
| 68 | S | 41.9 | Very low | 48.5 | Very low | 99 Ų | 99 | 171.5 Ų | 171.5 | 69% | 0.692 | 81% | 0.812 | S | S | * | * | trans | -23.4 | 129.9 | 148.8 | -59.3 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 69 | H | 42.8 | Very low | 47.7 | Very low | 172 Ų | 172 | 175.9 Ų | 175.9 | 80% | 0.796 | 82% | 0.82 | S | S | * | * | trans | 70.9 | 131.3 | 136.1 | -69.2 | -62.3 | 0 | 0 | 0 | 122.1 | ||||
| 70 | I | 40.3 | Very low | 47.2 | Very low | 168 Ų | 168 | 177.7 Ų | 177.7 | 86% | 0.862 | 83% | 0.832 | S | S | * | * | trans | 99.9 | 104.3 | 152.3 | -61.9 | 149.7 | 0 | 0 | 0 | 117 | ||||
| 71 | G | 47.9 | Very low | 46.3 | Very low | 62 Ų | 62 | 169.3 Ų | 169.3 | 64% | 0.639 | 82% | 0.822 | S | S | * | * | 69.6 | 98.1 | 129.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 72 | E | 40.2 | Very low | 45.7 | Very low | 195 Ų | 195 | 172.3 Ų | 172.3 | 91% | 0.911 | 84% | 0.841 | S | S | * | * | 161.9 | 113.8 | 124.9 | -86.1 | 170.9 | -159.7 | 0 | 0 | 109.7 | |||||
| 73 | K | 48.8 | Very low | 45.2 | Very low | 210 Ų | 210 | 171.6 Ų | 171.6 | 91% | 0.913 | 84% | 0.84 | S | S | * | * | trans | -92.8 | 131.1 | 162.3 | -81.8 | -177.7 | 175.1 | 179.3 | 0 | 107.4 | ||||
| 74 | P | 46.6 | Very low | 45 | Very low | 119 Ų | 119 | 170.4 Ų | 170.4 | 77% | 0.773 | 84% | 0.837 | S | S | * | * | trans | -144.7 | 117.2 | 130.1 | 32.8 | -15.3 | 0 | 0 | 0 | 111.6 | ||||
| 75 | Y | 43.2 | Very low | 44.5 | Very low | 187 Ų | 187 | 166.3 Ų | 166.3 | 73% | 0.733 | 83% | 0.832 | S | S | * | * | -160.7 | 124 | 119.6 | 83.3 | -88.2 | 0 | 0 | 0 | 109.8 | R77 | Y75-R77 HydrophobicContact CD2-CB 4.13Å; Y75-R77 HydrophobicContact CE2-CB 3.77Å | |||
| 76 | E | 48.9 | Very low | 44.5 | Very low | 193 Ų | 193 | 165.3 Ų | 165.3 | 90% | 0.902 | 83% | 0.831 | S | S | * | * | trans | -68.4 | 136.1 | 167.2 | -71.2 | 175.4 | 141.4 | 0 | 0 | 109.4 | ||||
| 77 | R | 43.5 | Very low | 44.2 | Very low | 201 Ų | 201 | 166.3 Ų | 166.3 | 76% | 0.758 | 84% | 0.839 | S | S | * | * | trans | -147.1 | 93.7 | 162.6 | 179 | -172.1 | -79.5 | -117.9 | -0.8 | 109.7 | Y75 | Y75-R77 HydrophobicContact CD2-CB 4.13Å; Y75-R77 HydrophobicContact CE2-CB 3.77Å | ||
| 78 | N | 46.8 | Very low | 44.2 | Very low | 152 Ų | 152 | 163.6 Ų | 163.6 | 81% | 0.813 | 84% | 0.843 | S | S | * | * | trans | -154 | 92.5 | 157.4 | -12.2 | 19 | 0 | 0 | 0 | 109.6 | ||||
| 79 | Q | 44.8 | Very low | 44.4 | Very low | 200 Ų | 200 | 168.2 Ų | 168.2 | 94% | 0.935 | 85% | 0.854 | S | S | * | * | trans | -121.9 | 104.2 | 149.7 | -75.5 | -169.4 | 18.8 | 0 | 0 | 107.8 | ||||
| 80 | C | 45 | Very low | 44.5 | Very low | 139 Ų | 139 | 167.9 Ų | 167.9 | 94% | 0.939 | 86% | 0.858 | S | S | * | * | trans | -167.5 | 115.6 | 150.7 | -171.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 81 | G | 42.2 | Very low | 44.8 | Very low | 72 Ų | 72 | 167.9 Ų | 167.9 | 74% | 0.742 | 86% | 0.858 | S | S | * | * | trans | 144.2 | 67.1 | 162.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 82 | K | 40.3 | Very low | 44.6 | Very low | 285 Ų | 285 | 177.5 Ų | 177.5 | 100% | 1.239 | 88% | 0.878 | S | S | * | * | -169.7 | 0 | 118.9 | -109.8 | -179.6 | 177.4 | 178.7 | 0 | 111.3 |
Retrieved 82 of 82 residues in 443.6 ms
(Link to these results)