| 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 | 43.6 | Very low | 76 | Confident | 236 Ų | 236 | 113.7 Ų | 113.7 | 100% | 1.163 | 56% | 0.56 | S | S | * | * | 0 | 112.9 | 0 | -70.5 | -163.9 | -79.3 | 0 | 0 | 105.3 | D3 | M1-D3 PolarHBondContact O-N 2.9Š| |||
| 2 | E | 45.4 | Very low | 77.6 | Confident | 193 Ų | 193 | 112.3 Ų | 112.3 | 90% | 0.902 | 55% | 0.545 | S | S | * | . | trans | -65.7 | 121.4 | 173.3 | -68.5 | 173.6 | 171.7 | 0 | 0 | 106.6 | Q4 | E2-Q4 VanDerWaalsContact C-N 3.32Å; E2-Q4 PolarHBondContact O-N 3.33Å | ||
| 3 | D | 60.7 | Low | 79 | Confident | 149 Ų | 149 | 122.1 Ų | 122.1 | 80% | 0.797 | 57% | 0.572 | S | S | * | * | trans | -65.6 | 98.1 | 174.6 | -96.4 | -18.9 | 0 | 0 | 0 | 107 | M1 K5 | M1-D3 PolarHBondContact O-N 2.9Å; D3-K5 PolarHBondContact O-N 3.21Å | ||
| 4 | Q | 64 | Low | 80.1 | Confident | 166 Ų | 166 | 115.9 Ų | 115.9 | 78% | 0.776 | 55% | 0.547 | S | S | * | . | trans | -61.6 | 113.9 | 174.6 | -161.8 | 167.9 | -29.4 | 0 | 0 | 107.2 | E2 N6 | E2-Q4 VanDerWaalsContact C-N 3.32Å; E2-Q4 PolarHBondContact O-N 3.33Å; Q4-N6 VanDerWaalsContact C-N 3.27Å; Q4-N6 PolarHBondContact O-N 3.2Å; Q4-N6 PolarHBondContact O-OD1 3.27Å | ||
| 5 | K | 71.7 | Confident | 81.1 | Confident | 120 Ų | 120 | 112.1 Ų | 112.1 | 52% | 0.522 | 53% | 0.531 | S | S | . | . | trans | -71.8 | 85.7 | -174.8 | -168.7 | -174 | 179.2 | -166.1 | 0 | 109.4 | D3 Q7 N24 | D3-K5 PolarHBondContact O-N 3.21Å; K5-Q7 PolarHBondContact O-N 3.23Å; K5-N24 WeakPolarHBondContact CE-OD1 3.37Å; K5-N24 PolarHBondContact NZ-OD1 3.05Å | ||
| 6 | N | 85.6 | Confident | 81.8 | Confident | 71 Ų | 71 | 112.8 Ų | 112.8 | 38% | 0.38 | 55% | 0.549 | S | S | . | . | trans | -73 | 117.5 | 178.7 | -72 | -17.3 | 0 | 0 | 0 | 109.9 | Q4 F11 V54 | Q4-N6 VanDerWaalsContact C-N 3.27Å; Q4-N6 PolarHBondContact O-N 3.2Å; Q4-N6 PolarHBondContact O-OD1 3.27Å; N6-F11 HydrophobicContact CB-CE2 3.7Å; N6-F11 HydrophobicContact CB-CZ 4.2Å; N6-V54 HydrophobicContact CB-CG1 4.25Å; N6-V54 WeakPolarHBondContact O-CG1 3.42Å | ||
| 7 | Q | 91.1 | Very high | 82.5 | Confident | 61 Ų | 61 | 113.8 Ų | 113.8 | 29% | 0.285 | 56% | 0.557 | S | S | . | * | trans | -92.3 | 155.8 | 174.7 | -57.1 | -173.8 | 7.3 | 0 | 0 | 110.2 | K5 C9 D10 F11 N23 | K5-Q7 PolarHBondContact O-N 3.23Å; Q7-C9 VanDerWaalsContact C-N 3.29Å; Q7-C9 PolarHBondContact O-N 3.45Å; Q7-C9 PolarHBondContact OE1-SG 2.89Å; Q7-C9 VanDerWaalsContact OE1-SG 3.38Å; Q7-D10 WeakPolarHBondContact CB-OD2 3.36Å; Q7-D10 PolarHBondContact N-OD2 2.98Å; Q7-D10 WeakPolarHBondContact O-CB 3.43Å; Q7-D10 PolarHBondContact O-N 3.32Å; Q7-F11 VanDerWaalsContact O-CD2 3.3Å; Q7-F11 WeakPolarHBondContact O-CD2 3.37Å; Q7-N23 CarbonylContact C-O 3.59Å; Q7-N23 WeakPolarHBondContact CA-O 3.3Å; Q7-N23 PolarHBondContact OE1-ND2 2.79Å | ||
| 8 | T | 93.5 | Very high | 83.1 | Confident | 1 Ų | 1 | 108.7 Ų | 108.7 | 1% | 0.006 | 53% | 0.532 | C | S | . | . | H | α-helix | trans | -69.2 | -31.6 | -179.6 | 64.8 | 0 | 0 | 0 | 0 | 111.9 | D10 F11 Y12 F22 N23 V54 M57 | T8-D10 PolarHBondContact O-N 3.46Å; T8-F11 PolarHBondContact O-N 3.43Å; T8-Y12 PolarHBondContact O-N 3.29Å; T8-F22 VanDerWaalsContact CG2-O 3.27Å; T8-F22 WeakPolarHBondContact CG2-O 3.47Å; T8-F22 PolarHBondContact OG1-O 2.93Å; T8-N23 PolarHBondContact N-O 2.98Å; T8-N23 PolarHBondContact N-OD1 3.38Å; T8-N23 WeakPolarHBondContact OG1-CA 3.3Å; T8-N23 PolarHBondContact OG1-OD1 3.34Å; T8-N23 VanDerWaalsContact OG1-OD1 3.06Å; T8-V54 HydrophobicContact CG2-CB 4.07Å; T8-V54 HydrophobicContact CG2-CG1 4.14Å; T8-M57 HydrophobicContact CG2-CB 3.38Å; T8-M57 HydrophobicContact CG2-CG 3.56Å |
| 9 | C | 93.4 | Very high | 83.7 | Confident | 49 Ų | 49 | 104.9 Ų | 104.9 | 33% | 0.331 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.8 | -22.5 | 173.9 | 63.9 | 0 | 0 | 0 | 0 | 113.9 | Q7 F11 Y12 T14 N23 | Q7-C9 VanDerWaalsContact C-N 3.29Å; Q7-C9 PolarHBondContact O-N 3.45Å; Q7-C9 PolarHBondContact OE1-SG 2.89Å; Q7-C9 VanDerWaalsContact OE1-SG 3.38Å; C9-F11 VanDerWaalsContact C-N 3.31Å; C9-Y12 CarbonylContact C-O 3.52Å; C9-Y12 WeakPolarHBondContact CA-O 3.43Å; C9-T14 HydrophobicContact CB-CG2 4.2Å; C9-T14 WeakPolarHBondContact CB-OG1 3.27Å; C9-N23 WeakPolarHBondContact CB-OD1 3.48Å; C9-N23 PolarHBondContact N-OD1 3.05Å; C9-N23 PolarHBondContact SG-ND2 2.81Å; C9-N23 PolarHBondContact SG-OD1 3.46Å; C9-N23 VanDerWaalsContact SG-OD1 3.32Å |
| 10 | D | 93.3 | Very high | 84.2 | Confident | 103 Ų | 103 | 105.8 Ų | 105.8 | 55% | 0.551 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -72.1 | -28.7 | 178.1 | -58.2 | -31.4 | 0 | 0 | 0 | 111.6 | Q7 T8 | Q7-D10 WeakPolarHBondContact CB-OD2 3.36Å; Q7-D10 PolarHBondContact N-OD2 2.98Å; Q7-D10 WeakPolarHBondContact O-CB 3.43Å; Q7-D10 PolarHBondContact O-N 3.32Å; T8-D10 PolarHBondContact O-N 3.46Å |
| 11 | F | 93.9 | Very high | 84.6 | Confident | 102 Ų | 102 | 106.1 Ų | 106.1 | 45% | 0.447 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -105.7 | -28.6 | -176.5 | -62.3 | -90.3 | 0 | 0 | 0 | 112.9 | N6 Q7 T8 C9 V54 | N6-F11 HydrophobicContact CB-CE2 3.7Å; N6-F11 HydrophobicContact CB-CZ 4.2Å; Q7-F11 VanDerWaalsContact O-CD2 3.3Å; Q7-F11 WeakPolarHBondContact O-CD2 3.37Å; T8-F11 PolarHBondContact O-N 3.43Å; C9-F11 VanDerWaalsContact C-N 3.31Å; F11-V54 HydrophobicContact CD2-CB 4.37Å; F11-V54 HydrophobicContact CD2-CG2 4Å; F11-V54 HydrophobicContact CE2-CG2 4.31Å; F11-V54 HydrophobicContact CG-CG2 4.37Å |
| 12 | Y | 95.3 | Very high | 87 | Confident | 97 Ų | 97 | 95.9 Ų | 95.9 | 38% | 0.38 | 47% | 0.465 | S | S | . | . | S | Bend | trans | -133 | 152.8 | -173.4 | -61.5 | -73.9 | 0 | 0 | 0 | 111.6 | T8 C9 T14 H55 T59 | T8-Y12 PolarHBondContact O-N 3.29Å; C9-Y12 CarbonylContact C-O 3.52Å; C9-Y12 WeakPolarHBondContact CA-O 3.43Å; Y12-T14 PolarHBondContact O-N 2.89Å; Y12-H55 AromaticContact CE2-ND1 3.47Å; Y12-H55 WeakPolarHBondContact CE2-ND1 3.4Å; Y12-H55 AromaticContact CZ-ND1 3.51Å; Y12-H55 PolarHBondContact OH-ND1 2.9Å; Y12-T59 HydrophobicContact CG-CG2 4.35Å |
| 13 | R | 95.5 | Very high | 89.3 | Confident | 239 Ų | 239 | 88 Ų | 88 | 90% | 0.902 | 43% | 0.428 | S | S | * | . | trans | -74.3 | 111.3 | 169.6 | -173.8 | 175.3 | 176.6 | 170.9 | -1.1 | 109.4 | ||||
| 14 | T | 94.8 | Very high | 90.8 | Very high | 36 Ų | 36 | 81.1 Ų | 81.1 | 22% | 0.221 | 39% | 0.392 | C | S | . | . | trans | -99.4 | 155 | 177.9 | 53.9 | 0 | 0 | 0 | 0 | 111.8 | C9 Y12 L18 T59 | C9-T14 HydrophobicContact CB-CG2 4.2Å; C9-T14 WeakPolarHBondContact CB-OG1 3.27Å; Y12-T14 PolarHBondContact O-N 2.89Å; T14-L18 HydrophobicContact CG2-CD2 3.78Å; T14-T59 WeakPolarHBondContact CA-O 3.39Å; T14-T59 HydrophobicContact CG2-CG2 4.46Å | ||
| 15 | D | 94.8 | Very high | 92 | Very high | 58 Ų | 58 | 73.7 Ų | 73.7 | 31% | 0.31 | 36% | 0.358 | S | S | . | . | trans | -63.3 | 145.1 | 168.8 | -81.4 | -3.5 | 0 | 0 | 0 | 110.7 | D17 L18 T59 K62 | D15-D17 PolarHBondContact O-N 3.4Å; D15-L18 HydrophobicContact CB-CB 4.47Å; D15-L18 VanDerWaalsContact O-CB 3.29Å; D15-L18 WeakPolarHBondContact O-CB 3.28Å; D15-L18 PolarHBondContact O-N 3.43Å; D15-T59 PolarHBondContact N-O 2.93Å; D15-K62 VanDerWaalsContact OD2-CE 3.25Å; D15-K62 WeakPolarHBondContact OD2-CE 3.16Å; D15-K62 IonicContact OD2-NZ 3.21Å; D15-K62 PolarHBondContact OD2-NZ 2.69Å | ||
| 16 | P | 92.3 | Very high | 92.8 | Very high | 124 Ų | 124 | 72 Ų | 72 | 81% | 0.805 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -29.4 | 178.3 | 26.6 | -34.4 | 0 | 0 | 0 | 112.8 | L18 | P16-L18 VanDerWaalsContact C-N 3.32Š|
| 17 | D | 93.1 | Very high | 92.9 | Very high | 130 Ų | 130 | 73.8 Ų | 73.8 | 70% | 0.695 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | 15.4 | -179.7 | -54.1 | -43.3 | 0 | 0 | 0 | 112.9 | D15 P19 | D15-D17 PolarHBondContact O-N 3.4Å; D17-P19 WeakPolarHBondContact O-CD 3.29Å |
| 18 | L | 94.4 | Very high | 92.7 | Very high | 21 Ų | 21 | 73.5 Ų | 73.5 | 11% | 0.11 | 35% | 0.354 | C | S | . | . | trans | -66.1 | 125.5 | -179.4 | -175.1 | 69.1 | 0 | 0 | 0 | 109.9 | T14 D15 P16 E20 F22 F61 | T14-L18 HydrophobicContact CG2-CD2 3.78Å; D15-L18 HydrophobicContact CB-CB 4.47Å; D15-L18 VanDerWaalsContact O-CB 3.29Å; D15-L18 WeakPolarHBondContact O-CB 3.28Å; D15-L18 PolarHBondContact O-N 3.43Å; P16-L18 VanDerWaalsContact C-N 3.32Å; L18-E20 PolarHBondContact O-N 3.25Å; L18-F22 HydrophobicContact CD1-CB 3.8Å; L18-F22 HydrophobicContact CD1-CD2 4.27Å; L18-F22 HydrophobicContact CD1-CG 4.36Å; L18-F22 HydrophobicContact CD2-CB 4.05Å; L18-F22 HydrophobicContact CG-CB 3.89Å; L18-F61 HydrophobicContact CD1-CB 3.94Å | ||
| 19 | P | 93.9 | Very high | 92 | Very high | 38 Ų | 38 | 77.9 Ų | 77.9 | 25% | 0.247 | 38% | 0.378 | C | S | . | . | trans | -56.7 | 139.1 | 176.7 | -25.9 | 33.1 | 0 | 0 | 0 | 112.1 | D17 R21 F22 N23 F61 | D17-P19 WeakPolarHBondContact O-CD 3.29Å; P19-R21 HydrophobicContact CB-CG 4.22Å; P19-R21 PolarHBondContact O-N 3.16Å; P19-F22 HydrophobicContact CB-CD2 3.95Å; P19-F22 HydrophobicContact CB-CE2 4.45Å; P19-F22 HydrophobicContact CG-CD2 3.98Å; P19-F22 HydrophobicContact CG-CE2 4.26Å; P19-F22 PolarHBondContact O-N 2.84Å; P19-N23 PolarHBondContact O-N 3.33Å; P19-F61 HydrophobicContact CG-CB 4.47Å; P19-F61 HydrophobicContact CG-CD1 3.59Å; P19-F61 HydrophobicContact CG-CE1 4.22Å; P19-F61 HydrophobicContact CG-CG 4.41Å | ||
| 20 | E | 93.4 | Very high | 91.4 | Very high | 122 Ų | 122 | 81.2 Ų | 81.2 | 57% | 0.57 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -53.8 | -34.9 | -174.2 | -173.3 | -176.9 | 176.7 | 0 | 0 | 113.4 | L18 F22 N23 N24 F27 | L18-E20 PolarHBondContact O-N 3.25Å; E20-F22 PolarHBondContact O-N 2.93Å; E20-N23 PolarHBondContact O-N 3Å; E20-N24 VanDerWaalsContact CG-ND2 3.3Å; E20-N24 WeakPolarHBondContact CG-ND2 3.25Å; E20-N24 PolarHBondContact O-N 3.24Å; E20-N24 PolarHBondContact O-ND2 3.05Å; E20-F27 HydrophobicContact CG-CE2 4.06Å; E20-F27 HydrophobicContact CG-CZ 4.31Å |
| 21 | R | 92.4 | Very high | 90.9 | Very high | 112 Ų | 112 | 80 Ų | 80 | 42% | 0.423 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -57.2 | -33.5 | 176.1 | 70.1 | 179.7 | -179.5 | -128.5 | 1.6 | 112.7 | P19 N24 F27 F28 F61 | P19-R21 HydrophobicContact CB-CG 4.22Å; P19-R21 PolarHBondContact O-N 3.16Å; R21-N24 CarbonylContact O-C 3.55Å; R21-F27 HydrophobicContact CB-CB 4.02Å; R21-F27 HydrophobicContact CB-CG 4.24Å; R21-F28 HydrophobicContact CB-CE2 4.43Å; R21-F28 HydrophobicContact CG-CZ 4.46Å; R21-F28 VanDerWaalsContact O-CE2 3.25Å; R21-F28 WeakPolarHBondContact O-CE2 3.36Å; R21-F61 VanDerWaalsContact NH2-CE1 3.26Å |
| 22 | F | 93.7 | Very high | 90.2 | Very high | 22 Ų | 22 | 83.4 Ų | 83.4 | 10% | 0.096 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -81.3 | -26.9 | 178.6 | -66.6 | -65.6 | 0 | 0 | 0 | 112.3 | T8 L18 P19 E20 F28 M57 F61 | T8-F22 VanDerWaalsContact CG2-O 3.27Å; T8-F22 WeakPolarHBondContact CG2-O 3.47Å; T8-F22 PolarHBondContact OG1-O 2.93Å; L18-F22 HydrophobicContact CD1-CB 3.8Å; L18-F22 HydrophobicContact CD1-CD2 4.27Å; L18-F22 HydrophobicContact CD1-CG 4.36Å; L18-F22 HydrophobicContact CD2-CB 4.05Å; L18-F22 HydrophobicContact CG-CB 3.89Å; P19-F22 HydrophobicContact CB-CD2 3.95Å; P19-F22 HydrophobicContact CB-CE2 4.45Å; P19-F22 HydrophobicContact CG-CD2 3.98Å; P19-F22 HydrophobicContact CG-CE2 4.26Å; P19-F22 PolarHBondContact O-N 2.84Å; E20-F22 PolarHBondContact O-N 2.93Å; F22-F28 HydrophobicContact CD1-CE2 4.4Å; F22-F28 HydrophobicContact CD1-CZ 4.17Å; F22-F28 HydrophobicContact CE1-CZ 4Å; F22-M57 VanDerWaalsContact CA-CE 3.42Å; F22-M57 HydrophobicContact CB-CE 4.15Å; F22-M57 HydrophobicContact CD1-CE 3.69Å; F22-M57 HydrophobicContact CG-CE 4.37Å; F22-M57 WeakPolarHBondContact O-CE 3.34Å; F22-F61 HydrophobicContact CD2-CB 4.11Å; F22-F61 HydrophobicContact CD2-CD1 4.34Å; F22-F61 HydrophobicContact CD2-CD2 4.49Å; F22-F61 HydrophobicContact CD2-CG 4.09Å; F22-F61 HydrophobicContact CE2-CB 4Å; F22-F61 AromaticContact CE2-CD1 3.67Å; F22-F61 HydrophobicContact CE2-CD1 3.67Å; F22-F61 AromaticContact CE2-CD2 3.59Å; F22-F61 HydrophobicContact CE2-CD2 3.59Å; F22-F61 AromaticContact CE2-CE1 3.86Å; F22-F61 HydrophobicContact CE2-CE1 3.86Å; F22-F61 AromaticContact CE2-CE2 3.87Å; F22-F61 HydrophobicContact CE2-CE2 3.87Å; F22-F61 AromaticContact CE2-CG 3.49Å; F22-F61 HydrophobicContact CE2-CG 3.49Å; F22-F61 VanDerWaalsContact CE2-CG 3.49Å; F22-F61 AromaticContact CE2-CZ 3.99Å; F22-F61 HydrophobicContact CE2-CZ 3.99Å; F22-F61 AromaticContact CZ-CD2 3.84Å; F22-F61 HydrophobicContact CZ-CD2 3.84Å; F22-F61 AromaticContact CZ-CE2 3.88Å; F22-F61 HydrophobicContact CZ-CE2 3.88Å; F22-F61 HydrophobicContact CZ-CG 4.22Å; F22-F61 HydrophobicContact CZ-CZ 4.24Å |
| 23 | N | 94.2 | Very high | 89.5 | Confident | 27 Ų | 27 | 82.9 Ų | 82.9 | 14% | 0.144 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -73.9 | -31 | 173 | -165 | 30.8 | 0 | 0 | 0 | 112.6 | Q7 T8 C9 P19 E20 | Q7-N23 CarbonylContact C-O 3.59Å; Q7-N23 WeakPolarHBondContact CA-O 3.3Å; Q7-N23 PolarHBondContact OE1-ND2 2.79Å; T8-N23 PolarHBondContact N-O 2.98Å; T8-N23 PolarHBondContact N-OD1 3.38Å; T8-N23 WeakPolarHBondContact OG1-CA 3.3Å; T8-N23 PolarHBondContact OG1-OD1 3.34Å; T8-N23 VanDerWaalsContact OG1-OD1 3.06Å; C9-N23 WeakPolarHBondContact CB-OD1 3.48Å; C9-N23 PolarHBondContact N-OD1 3.05Å; C9-N23 PolarHBondContact SG-ND2 2.81Å; C9-N23 PolarHBondContact SG-OD1 3.46Å; C9-N23 VanDerWaalsContact SG-OD1 3.32Å; P19-N23 PolarHBondContact O-N 3.33Å; E20-N23 PolarHBondContact O-N 3Å |
| 24 | N | 92.4 | Very high | 88.9 | Confident | 5 Ų | 5 | 82.2 Ų | 82.2 | 3% | 0.027 | 40% | 0.401 | C | S | . | . | trans | -116.6 | 97.2 | -176.4 | -68.1 | -81.9 | 0 | 0 | 0 | 110.7 | K5 E20 R21 E26 F27 | K5-N24 WeakPolarHBondContact CE-OD1 3.37Å; K5-N24 PolarHBondContact NZ-OD1 3.05Å; E20-N24 VanDerWaalsContact CG-ND2 3.3Å; E20-N24 WeakPolarHBondContact CG-ND2 3.25Å; E20-N24 PolarHBondContact O-N 3.24Å; E20-N24 PolarHBondContact O-ND2 3.05Å; R21-N24 CarbonylContact O-C 3.55Å; N24-E26 PolarHBondContact O-N 3.06Å; N24-F27 HydrophobicContact CB-CD2 3.55Å; N24-F27 HydrophobicContact CB-CE2 3.88Å; N24-F27 PolarHBondContact O-N 3.23Å | ||
| 25 | P | 90.1 | Very high | 88.4 | Confident | 10 Ų | 10 | 90.9 Ų | 90.9 | 7% | 0.065 | 44% | 0.435 | C | S | . | . | G | 310 helix | trans | -59.5 | -24.3 | -176.9 | 22.5 | -32.8 | 0 | 0 | 0 | 113.6 | F27 F28 V54 M57 | P25-F27 PolarHBondContact O-N 3.05Å; P25-F27 VanDerWaalsContact O-N 3.15Å; P25-F28 PolarHBondContact O-N 2.94Å; P25-V54 HydrophobicContact CG-CG1 3.84Å; P25-M57 HydrophobicContact CB-CG 4.06Å; P25-M57 HydrophobicContact CB-SD 4.12Å |
| 26 | E | 87.9 | Confident | 88 | Confident | 84 Ų | 84 | 91.2 Ų | 91.2 | 39% | 0.393 | 44% | 0.439 | S | S | . | . | G | 310 helix | trans | -62.2 | -17.4 | 176.4 | -60.5 | -56.7 | 145.6 | 0 | 0 | 114.2 | N24 F28 N29 K51 | N24-E26 PolarHBondContact O-N 3.06Å; E26-F28 PolarHBondContact O-N 3.21Å; E26-N29 PolarHBondContact O-ND2 2.9Å; E26-N29 VanDerWaalsContact O-ND2 3.13Å; E26-N29 PolarHBondContact O-OD1 3.46Å; E26-K51 IonicContact OE1-NZ 2.69Å; E26-K51 PolarHBondContact OE1-NZ 2.82Å; E26-K51 IonicContact OE2-NZ 3.43Å; E26-K51 PolarHBondContact OE2-NZ 2.91Å |
| 27 | F | 87.6 | Confident | 87.9 | Confident | 109 Ų | 109 | 90.1 Ų | 90.1 | 48% | 0.478 | 42% | 0.423 | S | S | . | . | G | 310 helix | trans | -63.9 | -25.2 | 172.5 | -89.5 | -96.3 | 0 | 0 | 0 | 112.4 | E20 R21 N24 P25 N29 | E20-F27 HydrophobicContact CG-CE2 4.06Å; E20-F27 HydrophobicContact CG-CZ 4.31Å; R21-F27 HydrophobicContact CB-CB 4.02Å; R21-F27 HydrophobicContact CB-CG 4.24Å; N24-F27 HydrophobicContact CB-CD2 3.55Å; N24-F27 HydrophobicContact CB-CE2 3.88Å; N24-F27 PolarHBondContact O-N 3.23Å; P25-F27 PolarHBondContact O-N 3.05Å; P25-F27 VanDerWaalsContact O-N 3.15Å; F27-N29 PolarHBondContact O-N 3.3Å |
| 28 | F | 85.9 | Confident | 87.7 | Confident | 55 Ų | 55 | 89.2 Ų | 89.2 | 24% | 0.241 | 43% | 0.425 | C | S | . | . | trans | -81.7 | 60.9 | 179.4 | -68.6 | -85.7 | 0 | 0 | 0 | 112 | R21 F22 P25 E26 T30 F31 P52 M57 | R21-F28 HydrophobicContact CB-CE2 4.43Å; R21-F28 HydrophobicContact CG-CZ 4.46Å; R21-F28 VanDerWaalsContact O-CE2 3.25Å; R21-F28 WeakPolarHBondContact O-CE2 3.36Å; F22-F28 HydrophobicContact CD1-CE2 4.4Å; F22-F28 HydrophobicContact CD1-CZ 4.17Å; F22-F28 HydrophobicContact CE1-CZ 4Å; P25-F28 PolarHBondContact O-N 2.94Å; E26-F28 PolarHBondContact O-N 3.21Å; F28-T30 PolarHBondContact O-N 2.67Å; F28-T30 VanDerWaalsContact O-N 3.12Å; F28-F31 HydrophobicContact CB-CD2 3.87Å; F28-F31 HydrophobicContact CB-CE2 3.96Å; F28-F31 HydrophobicContact CD1-CE2 4.1Å; F28-F31 HydrophobicContact CG-CE2 4.37Å; F28-P52 HydrophobicContact CB-CG 3.61Å; F28-P52 HydrophobicContact CD2-CG 4.17Å; F28-P52 HydrophobicContact CG-CG 3.96Å; F28-M57 HydrophobicContact CD2-CE 3.85Å; F28-M57 HydrophobicContact CD2-SD 4.33Å; F28-M57 HydrophobicContact CE2-CE 3.27Å; F28-M57 HydrophobicContact CE2-SD 4.24Å; F28-M57 HydrophobicContact CZ-CE 4.12Å | ||
| 29 | N | 79.7 | Confident | 87.6 | Confident | 93 Ų | 93 | 95 Ų | 95 | 50% | 0.497 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -4.8 | -179 | -81.3 | -53.8 | 0 | 0 | 0 | 115.1 | E26 F27 R32 | E26-N29 PolarHBondContact O-ND2 2.9Å; E26-N29 VanDerWaalsContact O-ND2 3.13Å; E26-N29 PolarHBondContact O-OD1 3.46Å; F27-N29 PolarHBondContact O-N 3.3Å; N29-R32 WeakPolarHBondContact O-CG 3.48Å; N29-R32 PolarHBondContact O-NE 3.14Å |
| 30 | T | 80.8 | Confident | 87.5 | Confident | 119 Ų | 119 | 101.3 Ų | 101.3 | 73% | 0.73 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -25.3 | -178.4 | 50.6 | 0 | 0 | 0 | 0 | 112.8 | F28 R32 | F28-T30 PolarHBondContact O-N 2.67Å; F28-T30 VanDerWaalsContact O-N 3.12Å; T30-R32 PolarHBondContact O-N 3.48Å; T30-R32 VanDerWaalsContact O-N 3.14Å |
| 31 | F | 83.1 | Confident | 87.3 | Confident | 76 Ų | 76 | 102 Ų | 102 | 33% | 0.333 | 47% | 0.473 | S | S | . | . | trans | -80.3 | 95.5 | 178.1 | -61.9 | -81.4 | 0 | 0 | 0 | 110 | F28 K50 K51 P52 | F28-F31 HydrophobicContact CB-CD2 3.87Å; F28-F31 HydrophobicContact CB-CE2 3.96Å; F28-F31 HydrophobicContact CD1-CE2 4.1Å; F28-F31 HydrophobicContact CG-CE2 4.37Å; F31-K50 WeakPolarHBondContact CB-O 3.46Å; F31-K50 WeakPolarHBondContact CD1-O 3.42Å; F31-K51 HydrophobicContact CB-CB 4.22Å; F31-P52 HydrophobicContact CD2-CG 4.1Å; F31-P52 HydrophobicContact CE2-CG 4.11Å | ||
| 32 | R | 78.1 | Confident | 87.2 | Confident | 174 Ų | 174 | 100.2 Ų | 100.2 | 66% | 0.657 | 47% | 0.474 | S | S | * | . | trans | -134.1 | 134.8 | 178.9 | -64.2 | -177.5 | -179.8 | -150.8 | -7.1 | 109.7 | N29 T30 R34 | N29-R32 WeakPolarHBondContact O-CG 3.48Å; N29-R32 PolarHBondContact O-NE 3.14Å; T30-R32 PolarHBondContact O-N 3.48Å; T30-R32 VanDerWaalsContact O-N 3.14Å; R32-R34 PolarHBondContact O-N 3.46Å | ||
| 33 | V | 81.4 | Confident | 87 | Confident | 86 Ų | 86 | 109.4 Ų | 109.4 | 52% | 0.521 | 51% | 0.508 | S | S | . | . | trans | -64.5 | 111.3 | 166.5 | -174.3 | 0 | 0 | 0 | 0 | 107.6 | K35 S49 | V33-K35 PolarHBondContact O-N 3.13Å; V33-S49 WeakPolarHBondContact CG2-O 3.25Å | ||
| 34 | R | 82.9 | Confident | 86.9 | Confident | 225 Ų | 225 | 114.4 Ų | 114.4 | 85% | 0.849 | 54% | 0.535 | S | S | * | . | trans | -63.4 | 129.1 | 167 | -73.2 | -174.3 | 134.7 | -179.1 | -3.7 | 108 | R32 T36 | R32-R34 PolarHBondContact O-N 3.46Å; R34-T36 PolarHBondContact O-N 3.23Å | ||
| 35 | K | 83.6 | Confident | 86.7 | Confident | 219 Ų | 219 | 117.3 Ų | 117.3 | 95% | 0.952 | 55% | 0.548 | S | S | * | . | trans | -68.6 | 105 | 175.2 | -68.7 | -175.4 | -178.6 | -179.9 | 0 | 107.9 | V33 | V33-K35 PolarHBondContact O-N 3.13Š| ||
| 36 | T | 86.2 | Confident | 86.6 | Confident | 64 Ų | 64 | 119.6 Ų | 119.6 | 39% | 0.393 | 56% | 0.562 | S | S | . | * | trans | -120.5 | 151.1 | 175.4 | -52.7 | 0 | 0 | 0 | 0 | 108.4 | R34 | R34-T36 PolarHBondContact O-N 3.23Š| ||
| 37 | H | 90.4 | Very high | 86.8 | Confident | 101 Ų | 101 | 126 Ų | 126 | 47% | 0.468 | 58% | 0.584 | S | S | . | * | trans | -56.7 | 131.7 | 176.3 | -168.3 | -90.4 | 0 | 0 | 0 | 110.2 | L39 Y40 | H37-L39 WeakPolarHBondContact ND1-CB 3.42Å; H37-L39 PolarHBondContact ND1-N 3.2Å; H37-L39 PolarHBondContact O-N 2.94Å; H37-L39 VanDerWaalsContact O-N 3.13Å; H37-Y40 HydrophobicContact CB-CD2 3.64Å; H37-Y40 HydrophobicContact CB-CE2 4.41Å; H37-Y40 HydrophobicContact CB-CG 4.44Å; H37-Y40 AromaticContact CG-CD2 3.84Å; H37-Y40 AromaticContact ND1-CD2 3.77Å; H37-Y40 AromaticContact ND1-CE2 3.98Å; H37-Y40 PolarHBondContact O-N 3.18Å | ||
| 38 | P | 88.4 | Confident | 86.8 | Confident | 111 Ų | 111 | 122.1 Ų | 122.1 | 72% | 0.721 | 58% | 0.575 | S | S | * | * | G | 310 helix | trans | -55 | -35 | -176.3 | -27.8 | 34.9 | 0 | 0 | 0 | 114.1 | Y40 | P38-Y40 VanDerWaalsContact C-N 3.32Å; P38-Y40 PolarHBondContact O-N 2.94Å |
| 39 | L | 93.6 | Very high | 86.9 | Confident | 143 Ų | 143 | 120.2 Ų | 120.2 | 75% | 0.749 | 57% | 0.569 | S | S | * | * | G | 310 helix | trans | -73.3 | -18.3 | 178 | -58.9 | 178.4 | 0 | 0 | 0 | 114.3 | H37 | H37-L39 WeakPolarHBondContact ND1-CB 3.42Å; H37-L39 PolarHBondContact ND1-N 3.2Å; H37-L39 PolarHBondContact O-N 2.94Å; H37-L39 VanDerWaalsContact O-N 3.13Å |
| 40 | Y | 90.8 | Very high | 87.3 | Confident | 171 Ų | 171 | 123.9 Ų | 123.9 | 67% | 0.671 | 58% | 0.58 | S | S | * | * | G | 310 helix | trans | -109.4 | 27.6 | -177.7 | -57.7 | -54.9 | 0 | 0 | 0 | 111.9 | H37 P38 | H37-Y40 HydrophobicContact CB-CD2 3.64Å; H37-Y40 HydrophobicContact CB-CE2 4.41Å; H37-Y40 HydrophobicContact CB-CG 4.44Å; H37-Y40 AromaticContact CG-CD2 3.84Å; H37-Y40 AromaticContact ND1-CD2 3.77Å; H37-Y40 AromaticContact ND1-CE2 3.98Å; H37-Y40 PolarHBondContact O-N 3.18Å; P38-Y40 VanDerWaalsContact C-N 3.32Å; P38-Y40 PolarHBondContact O-N 2.94Å |
| 41 | R | 89.9 | Confident | 87.7 | Confident | 137 Ų | 137 | 122.9 Ų | 122.9 | 52% | 0.517 | 57% | 0.566 | S | S | . | * | trans | -78 | 128.3 | 177.4 | -165.2 | -179.9 | 177.8 | 108.6 | 0.8 | 110.2 | Q45 | R41-Q45 VanDerWaalsContact CA-OE1 3.25Å; R41-Q45 VanDerWaalsContact CG-OE1 3.3Å | ||
| 42 | T | 90.3 | Very high | 88.2 | Confident | 73 Ų | 73 | 120.2 Ų | 120.2 | 45% | 0.448 | 56% | 0.556 | S | S | . | * | trans | -102.8 | 157.2 | 173.7 | 69.5 | 0 | 0 | 0 | 0 | 110.7 | N44 Q45 | T42-N44 PolarHBondContact O-N 3.2Å; T42-Q45 WeakPolarHBondContact O-CB 3.16Å; T42-Q45 PolarHBondContact O-N 3.16Å; T42-Q45 VanDerWaalsContact O-N 3.16Å; T42-Q45 WeakPolarHBondContact OG1-CG 3.38Å | ||
| 43 | W | 90.3 | Very high | 88.8 | Confident | 216 Ų | 216 | 114.8 Ų | 114.8 | 82% | 0.818 | 54% | 0.543 | S | S | * | . | G | 310 helix | trans | -57.8 | -39.4 | 176.8 | 179.9 | -100.5 | 0 | 0 | 0 | 112.2 | Q45 T46 | W43-Q45 PolarHBondContact O-N 3.31Å; W43-T46 WeakPolarHBondContact O-CB 3.4Å; W43-T46 PolarHBondContact O-N 3.42Å; W43-T46 PolarHBondContact O-OG1 3.05Å |
| 44 | N | 91.1 | Very high | 89.4 | Confident | 132 Ų | 132 | 111.4 Ų | 111.4 | 71% | 0.706 | 52% | 0.522 | S | S | * | . | G | 310 helix | trans | -62.4 | -26.4 | -179.6 | -64.5 | -7.4 | 0 | 0 | 0 | 112.9 | T42 T46 Y47 | T42-N44 PolarHBondContact O-N 3.2Å; N44-T46 PolarHBondContact O-N 3.04Å; N44-Y47 PolarHBondContact O-N 3.15Å |
| 45 | Q | 88.8 | Confident | 89.9 | Confident | 66 Ų | 66 | 106.2 Ų | 106.2 | 31% | 0.308 | 51% | 0.507 | S | S | . | . | G | 310 helix | trans | -68.6 | -9.8 | 174.4 | -68.5 | 167.4 | 2 | 0 | 0 | 113.2 | R41 T42 W43 S49 | R41-Q45 VanDerWaalsContact CA-OE1 3.25Å; R41-Q45 VanDerWaalsContact CG-OE1 3.3Å; T42-Q45 WeakPolarHBondContact O-CB 3.16Å; T42-Q45 PolarHBondContact O-N 3.16Å; T42-Q45 VanDerWaalsContact O-N 3.16Å; T42-Q45 WeakPolarHBondContact OG1-CG 3.38Å; W43-Q45 PolarHBondContact O-N 3.31Å; Q45-S49 WeakPolarHBondContact O-CB 3.15Å |
| 46 | T | 88.4 | Confident | 90.3 | Very high | 58 Ų | 58 | 102.1 Ų | 102.1 | 36% | 0.356 | 49% | 0.492 | S | S | . | . | G | 310 helix | trans | -72.4 | -34.4 | 172.5 | -52 | 0 | 0 | 0 | 0 | 111.1 | W43 N44 G48 S49 | W43-T46 WeakPolarHBondContact O-CB 3.4Å; W43-T46 PolarHBondContact O-N 3.42Å; W43-T46 PolarHBondContact O-OG1 3.05Å; N44-T46 PolarHBondContact O-N 3.04Å; T46-G48 PolarHBondContact O-N 3.22Å; T46-S49 WeakPolarHBondContact O-CB 3.4Å; T46-S49 PolarHBondContact O-N 3.29Å; T46-S49 PolarHBondContact O-OG 3.13Å |
| 47 | Y | 90.6 | Very high | 90.6 | Very high | 217 Ų | 217 | 100 Ų | 100 | 85% | 0.851 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | 134 | 176.5 | -176.1 | -104.5 | 0 | 0 | 0 | 110.7 | N44 S49 | N44-Y47 PolarHBondContact O-N 3.15Å; Y47-S49 PolarHBondContact O-N 3.42Å; Y47-S49 VanDerWaalsContact O-N 3.14Å |
| 48 | G | 88.1 | Confident | 90.8 | Very high | 29 Ų | 29 | 100 Ų | 100 | 30% | 0.299 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69 | 4.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | T46 | T46-G48 PolarHBondContact O-N 3.22Š|
| 49 | S | 88.4 | Confident | 91.1 | Very high | 15 Ų | 15 | 97.8 Ų | 97.8 | 11% | 0.105 | 46% | 0.462 | C | S | . | . | trans | -78.9 | -21 | -177.6 | 69 | 0 | 0 | 0 | 0 | 114 | V33 Q45 T46 Y47 | V33-S49 WeakPolarHBondContact CG2-O 3.25Å; Q45-S49 WeakPolarHBondContact O-CB 3.15Å; T46-S49 WeakPolarHBondContact O-CB 3.4Å; T46-S49 PolarHBondContact O-N 3.29Å; T46-S49 PolarHBondContact O-OG 3.13Å; Y47-S49 PolarHBondContact O-N 3.42Å; Y47-S49 VanDerWaalsContact O-N 3.14Å | ||
| 50 | K | 88.5 | Confident | 91.2 | Very high | 169 Ų | 169 | 92.3 Ų | 92.3 | 74% | 0.735 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -105.2 | 134.6 | -179.1 | -63.2 | -177.4 | 180 | -179.3 | 0 | 110.2 | F31 | F31-K50 WeakPolarHBondContact CB-O 3.46Å; F31-K50 WeakPolarHBondContact CD1-O 3.42Å |
| 51 | K | 89.8 | Confident | 91.3 | Very high | 98 Ų | 98 | 87.2 Ų | 87.2 | 43% | 0.426 | 42% | 0.421 | S | S | . | . | trans | -72.6 | 145.8 | 172.8 | 68.5 | 170.1 | -177.4 | 169.9 | 0 | 110.7 | E26 F31 | E26-K51 IonicContact OE1-NZ 2.69Å; E26-K51 PolarHBondContact OE1-NZ 2.82Å; E26-K51 IonicContact OE2-NZ 3.43Å; E26-K51 PolarHBondContact OE2-NZ 2.91Å; F31-K51 HydrophobicContact CB-CB 4.22Å | ||
| 52 | P | 91.9 | Very high | 91.4 | Very high | 20 Ų | 20 | 88.1 Ų | 88.1 | 13% | 0.13 | 43% | 0.429 | C | S | . | . | trans | -64.7 | 146.1 | 174 | 27.5 | -34.4 | 0 | 0 | 0 | 110.5 | F28 F31 E56 M57 | F28-P52 HydrophobicContact CB-CG 3.61Å; F28-P52 HydrophobicContact CD2-CG 4.17Å; F28-P52 HydrophobicContact CG-CG 3.96Å; F31-P52 HydrophobicContact CD2-CG 4.1Å; F31-P52 HydrophobicContact CE2-CG 4.11Å; P52-E56 VanDerWaalsContact CA-OE2 3.28Å; P52-E56 WeakPolarHBondContact CA-OE2 3.41Å; P52-M57 HydrophobicContact CB-SD 3.9Å; P52-M57 HydrophobicContact CG-SD 4.28Å | ||
| 53 | T | 91.1 | Very high | 91.5 | Very high | 61 Ų | 61 | 89.2 Ų | 89.2 | 37% | 0.374 | 44% | 0.435 | S | S | . | . | trans | -108.2 | 165.6 | 178.3 | 62.4 | 0 | 0 | 0 | 0 | 111.2 | H55 E56 M57 | T53-H55 PolarHBondContact O-N 3.12Å; T53-E56 PolarHBondContact N-OE2 3.07Å; T53-E56 PolarHBondContact O-N 3.14Å; T53-E56 PolarHBondContact OG1-OE2 3.37Å; T53-M57 WeakPolarHBondContact O-CG 3.42Å; T53-M57 PolarHBondContact O-N 3.02Å | ||
| 54 | V | 93.8 | Very high | 91.6 | Very high | 15 Ų | 15 | 85.4 Ų | 85.4 | 9% | 0.091 | 43% | 0.429 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -24.9 | 179.5 | -66.2 | 0 | 0 | 0 | 0 | 113.9 | N6 T8 F11 P25 | N6-V54 HydrophobicContact CB-CG1 4.25Å; N6-V54 WeakPolarHBondContact O-CG1 3.42Å; T8-V54 HydrophobicContact CG2-CB 4.07Å; T8-V54 HydrophobicContact CG2-CG1 4.14Å; F11-V54 HydrophobicContact CD2-CB 4.37Å; F11-V54 HydrophobicContact CD2-CG2 4Å; F11-V54 HydrophobicContact CE2-CG2 4.31Å; F11-V54 HydrophobicContact CG-CG2 4.37Å; P25-V54 HydrophobicContact CG-CG1 3.84Å |
| 55 | H | 93.6 | Very high | 91.7 | Very high | 116 Ų | 116 | 84 Ų | 84 | 54% | 0.537 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -15.5 | 180 | -51.9 | -61 | 0 | 0 | 0 | 113.7 | Y12 T53 | Y12-H55 AromaticContact CE2-ND1 3.47Å; Y12-H55 WeakPolarHBondContact CE2-ND1 3.4Å; Y12-H55 AromaticContact CZ-ND1 3.51Å; Y12-H55 PolarHBondContact OH-ND1 2.9Å; T53-H55 PolarHBondContact O-N 3.12Å |
| 56 | E | 92.4 | Very high | 91.9 | Very high | 133 Ų | 133 | 85.5 Ų | 85.5 | 62% | 0.621 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.3 | -16.7 | 176.9 | -66.1 | 167.1 | 142.8 | 0 | 0 | 111.8 | P52 T53 | P52-E56 VanDerWaalsContact CA-OE2 3.28Å; P52-E56 WeakPolarHBondContact CA-OE2 3.41Å; T53-E56 PolarHBondContact N-OE2 3.07Å; T53-E56 PolarHBondContact O-N 3.14Å; T53-E56 PolarHBondContact OG1-OE2 3.37Å |
| 57 | M | 93.4 | Very high | 92.3 | Very high | 20 Ų | 20 | 89.5 Ų | 89.5 | 10% | 0.099 | 45% | 0.45 | C | S | . | . | S | Bend | trans | -69 | 145.5 | 179 | -64.8 | -46.5 | -70 | 0 | 0 | 112.2 | T8 F22 P25 F28 P52 T53 | T8-M57 HydrophobicContact CG2-CB 3.38Å; T8-M57 HydrophobicContact CG2-CG 3.56Å; F22-M57 VanDerWaalsContact CA-CE 3.42Å; F22-M57 HydrophobicContact CB-CE 4.15Å; F22-M57 HydrophobicContact CD1-CE 3.69Å; F22-M57 HydrophobicContact CG-CE 4.37Å; F22-M57 WeakPolarHBondContact O-CE 3.34Å; P25-M57 HydrophobicContact CB-CG 4.06Å; P25-M57 HydrophobicContact CB-SD 4.12Å; F28-M57 HydrophobicContact CD2-CE 3.85Å; F28-M57 HydrophobicContact CD2-SD 4.33Å; F28-M57 HydrophobicContact CE2-CE 3.27Å; F28-M57 HydrophobicContact CE2-SD 4.24Å; F28-M57 HydrophobicContact CZ-CE 4.12Å; P52-M57 HydrophobicContact CB-SD 3.9Å; P52-M57 HydrophobicContact CG-SD 4.28Å; T53-M57 WeakPolarHBondContact O-CG 3.42Å; T53-M57 PolarHBondContact O-N 3.02Å |
| 58 | Q | 93.6 | Very high | 92.4 | Very high | 101 Ų | 101 | 85.9 Ų | 85.9 | 47% | 0.472 | 44% | 0.439 | S | S | . | . | trans | -73.3 | 137.8 | 175.7 | -64.6 | 178.5 | -13.2 | 0 | 0 | 110.8 | ||||
| 59 | T | 95.2 | Very high | 92.7 | Very high | 63 Ų | 63 | 87.2 Ų | 87.2 | 39% | 0.387 | 44% | 0.444 | S | S | . | . | S | Bend | trans | -87 | -16.2 | 176.2 | 52.2 | 0 | 0 | 0 | 0 | 113.4 | Y12 T14 D15 | Y12-T59 HydrophobicContact CG-CG2 4.35Å; T14-T59 WeakPolarHBondContact CA-O 3.39Å; T14-T59 HydrophobicContact CG2-CG2 4.46Å; D15-T59 PolarHBondContact N-O 2.93Å |
| 60 | G | 94.9 | Very high | 93.1 | Very high | 28 Ų | 28 | 91.6 Ų | 91.6 | 29% | 0.289 | 46% | 0.463 | S | S | . | . | trans | -144.9 | 143.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 61 | F | 93.8 | Very high | 93.4 | Very high | 64 Ų | 64 | 87.8 Ų | 87.8 | 28% | 0.281 | 45% | 0.447 | S | S | . | . | trans | -140.5 | 104.9 | -179.5 | -176.1 | -112.5 | 0 | 0 | 0 | 110 | L18 P19 R21 F22 V63 | L18-F61 HydrophobicContact CD1-CB 3.94Å; P19-F61 HydrophobicContact CG-CB 4.47Å; P19-F61 HydrophobicContact CG-CD1 3.59Å; P19-F61 HydrophobicContact CG-CE1 4.22Å; P19-F61 HydrophobicContact CG-CG 4.41Å; R21-F61 VanDerWaalsContact NH2-CE1 3.26Å; F22-F61 HydrophobicContact CD2-CB 4.11Å; F22-F61 HydrophobicContact CD2-CD1 4.34Å; F22-F61 HydrophobicContact CD2-CD2 4.49Å; F22-F61 HydrophobicContact CD2-CG 4.09Å; F22-F61 HydrophobicContact CE2-CB 4Å; F22-F61 AromaticContact CE2-CD1 3.67Å; F22-F61 HydrophobicContact CE2-CD1 3.67Å; F22-F61 AromaticContact CE2-CD2 3.59Å; F22-F61 HydrophobicContact CE2-CD2 3.59Å; F22-F61 AromaticContact CE2-CE1 3.86Å; F22-F61 HydrophobicContact CE2-CE1 3.86Å; F22-F61 AromaticContact CE2-CE2 3.87Å; F22-F61 HydrophobicContact CE2-CE2 3.87Å; F22-F61 AromaticContact CE2-CG 3.49Å; F22-F61 HydrophobicContact CE2-CG 3.49Å; F22-F61 VanDerWaalsContact CE2-CG 3.49Å; F22-F61 AromaticContact CE2-CZ 3.99Å; F22-F61 HydrophobicContact CE2-CZ 3.99Å; F22-F61 AromaticContact CZ-CD2 3.84Å; F22-F61 HydrophobicContact CZ-CD2 3.84Å; F22-F61 AromaticContact CZ-CE2 3.88Å; F22-F61 HydrophobicContact CZ-CE2 3.88Å; F22-F61 HydrophobicContact CZ-CG 4.22Å; F22-F61 HydrophobicContact CZ-CZ 4.24Å; F61-V63 HydrophobicContact CD1-CG2 3.47Å; F61-V63 VanDerWaalsContact CD1-CG2 3.47Å; F61-V63 HydrophobicContact CE1-CB 4.4Å; F61-V63 HydrophobicContact CE1-CG2 2.91Å; F61-V63 HydrophobicContact CE2-CG2 4.05Å; F61-V63 HydrophobicContact CG-CG2 4.28Å; F61-V63 HydrophobicContact CZ-CG2 3.23Å | ||
| 62 | K | 92.3 | Very high | 93.6 | Very high | 156 Ų | 156 | 89.7 Ų | 89.7 | 68% | 0.678 | 45% | 0.453 | S | S | * | . | trans | -107.1 | 107.6 | 179.9 | -58 | -60.6 | 179.7 | -170 | 0 | 109 | D15 | D15-K62 VanDerWaalsContact OD2-CE 3.25Å; D15-K62 WeakPolarHBondContact OD2-CE 3.16Å; D15-K62 IonicContact OD2-NZ 3.21Å; D15-K62 PolarHBondContact OD2-NZ 2.69Å | ||
| 63 | V | 90.9 | Very high | 93.6 | Very high | 96 Ų | 96 | 95.1 Ų | 95.1 | 58% | 0.582 | 48% | 0.48 | S | S | * | . | P | Polyproline II helix | trans | -100.1 | 143.7 | 176.7 | -172.8 | 0 | 0 | 0 | 0 | 109.5 | F61 | F61-V63 HydrophobicContact CD1-CG2 3.47Å; F61-V63 VanDerWaalsContact CD1-CG2 3.47Å; F61-V63 HydrophobicContact CE1-CB 4.4Å; F61-V63 HydrophobicContact CE1-CG2 2.91Å; F61-V63 HydrophobicContact CE2-CG2 4.05Å; F61-V63 HydrophobicContact CG-CG2 4.28Å; F61-V63 HydrophobicContact CZ-CG2 3.23Å |
| 64 | M | 92.8 | Very high | 93.7 | Very high | 137 Ų | 137 | 101.8 Ų | 101.8 | 68% | 0.675 | 50% | 0.498 | S | S | * | . | P | Polyproline II helix | trans | -79.5 | 120 | 167.7 | -167.1 | 168.3 | 66.2 | 0 | 0 | 109.5 | H66 | M64-H66 WeakPolarHBondContact CE-CE1 3.45Å; M64-H66 PolarHBondContact O-CD2 3.39Å; M64-H66 VanDerWaalsContact O-CD2 3.3Å; M64-H66 PolarHBondContact O-N 3.3Å |
| 65 | S | 92.4 | Very high | 93.6 | Very high | 102 Ų | 102 | 108.1 Ų | 108.1 | 71% | 0.713 | 53% | 0.525 | S | S | * | . | P | Polyproline II helix | trans | -71.4 | 124.4 | 176.9 | 63.6 | 0 | 0 | 0 | 0 | 110.4 | ||
| 66 | H | 94.4 | Very high | 93.5 | Very high | 97 Ų | 97 | 105.2 Ų | 105.2 | 45% | 0.449 | 53% | 0.526 | S | S | . | . | trans | -95.2 | 7.5 | 174.4 | -67.6 | -79.4 | 0 | 0 | 0 | 113.5 | M64 F68 S69 E70 | M64-H66 WeakPolarHBondContact CE-CE1 3.45Å; M64-H66 PolarHBondContact O-CD2 3.39Å; M64-H66 VanDerWaalsContact O-CD2 3.3Å; M64-H66 PolarHBondContact O-N 3.3Å; H66-F68 VanDerWaalsContact C-N 3.33Å; H66-F68 PolarHBondContact O-N 3.23Å; H66-S69 PolarHBondContact O-N 3.44Å; H66-S69 VanDerWaalsContact O-N 3.09Å; H66-E70 HydrophobicContact CB-CG 4.3Å; H66-E70 WeakPolarHBondContact O-CB 3.36Å; H66-E70 WeakPolarHBondContact O-CG 3.47Å; H66-E70 PolarHBondContact O-N 3.09Å | ||
| 67 | H | 95.4 | Very high | 93.5 | Very high | 142 Ų | 142 | 106.8 Ų | 106.8 | 66% | 0.657 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -54.2 | -44 | -173.8 | -175.6 | -92.7 | 0 | 0 | 0 | 113.6 | H71 | H67-H71 WeakPolarHBondContact O-CB 3.45Å; H67-H71 PolarHBondContact O-N 3.01Å |
| 68 | F | 94 | Very high | 93.4 | Very high | 142 Ų | 142 | 114 Ų | 114 | 62% | 0.623 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -61 | -53.7 | 175.8 | 173.8 | -93.1 | 0 | 0 | 0 | 111.2 | H66 E70 H71 Y72 | H66-F68 VanDerWaalsContact C-N 3.33Å; H66-F68 PolarHBondContact O-N 3.23Å; F68-E70 PolarHBondContact O-N 2.82Å; F68-H71 WeakPolarHBondContact O-CB 3.17Å; F68-H71 PolarHBondContact O-N 3.16Å; F68-Y72 HydrophobicContact CD1-CD2 4.34Å; F68-Y72 HydrophobicContact CD2-CD2 4.03Å; F68-Y72 AromaticContact CD2-CE2 3.73Å; F68-Y72 HydrophobicContact CD2-CE2 3.73Å; F68-Y72 HydrophobicContact CE1-CD2 4.02Å; F68-Y72 HydrophobicContact CE1-CE2 4.28Å; F68-Y72 AromaticContact CE2-CD2 3.72Å; F68-Y72 HydrophobicContact CE2-CD2 3.72Å; F68-Y72 AromaticContact CE2-CE2 3.19Å; F68-Y72 HydrophobicContact CE2-CE2 3.19Å; F68-Y72 HydrophobicContact CG-CD2 4.34Å; F68-Y72 HydrophobicContact CG-CE2 4.48Å; F68-Y72 AromaticContact CZ-CD2 3.69Å; F68-Y72 HydrophobicContact CZ-CD2 3.69Å; F68-Y72 AromaticContact CZ-CE2 3.49Å; F68-Y72 HydrophobicContact CZ-CE2 3.49Å; F68-Y72 VanDerWaalsContact CZ-CE2 3.49Å; F68-Y72 WeakPolarHBondContact O-CD2 3.37Å; F68-Y72 PolarHBondContact O-N 3.23Å; F68-Y72 VanDerWaalsContact O-N 3.16Å |
| 69 | S | 94.5 | Very high | 93.3 | Very high | 57 Ų | 57 | 118.3 Ų | 118.3 | 40% | 0.399 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -60.8 | -45.5 | -178.9 | -56.8 | 0 | 0 | 0 | 0 | 111.7 | H66 H71 Y72 L73 | H66-S69 PolarHBondContact O-N 3.44Å; H66-S69 VanDerWaalsContact O-N 3.09Å; S69-H71 VanDerWaalsContact C-N 3.32Å; S69-H71 PolarHBondContact O-N 3.42Å; S69-Y72 PolarHBondContact O-N 3.47Å; S69-L73 WeakPolarHBondContact O-CB 3.36Å; S69-L73 WeakPolarHBondContact O-CG 3.45Å; S69-L73 PolarHBondContact O-N 3.5Å |
| 70 | E | 95.4 | Very high | 93.2 | Very high | 107 Ų | 107 | 121.5 Ų | 121.5 | 50% | 0.5 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -59.6 | -40.9 | 176.9 | -75.6 | -177.7 | -177.9 | 0 | 0 | 112.5 | H66 F68 Y72 L73 R74 | H66-E70 HydrophobicContact CB-CG 4.3Å; H66-E70 WeakPolarHBondContact O-CB 3.36Å; H66-E70 WeakPolarHBondContact O-CG 3.47Å; H66-E70 PolarHBondContact O-N 3.09Å; F68-E70 PolarHBondContact O-N 2.82Å; E70-Y72 PolarHBondContact O-N 2.84Å; E70-L73 PolarHBondContact O-N 3.22Å; E70-R74 WeakPolarHBondContact O-CG 3.35Å; E70-R74 PolarHBondContact O-N 3.4Å |
| 71 | H | 95.7 | Very high | 93 | Very high | 89 Ų | 89 | 128.7 Ų | 128.7 | 41% | 0.412 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -59.1 | -47.9 | 175.9 | -179.2 | -92.5 | 0 | 0 | 0 | 111.2 | H67 F68 S69 F75 | H67-H71 WeakPolarHBondContact O-CB 3.45Å; H67-H71 PolarHBondContact O-N 3.01Å; F68-H71 WeakPolarHBondContact O-CB 3.17Å; F68-H71 PolarHBondContact O-N 3.16Å; S69-H71 VanDerWaalsContact C-N 3.32Å; S69-H71 PolarHBondContact O-N 3.42Å; H71-F75 AromaticContact CE1-CE2 3.62Å; H71-F75 AromaticContact ND1-CE2 3.86Å; H71-F75 VanDerWaalsContact O-CD2 3.23Å; H71-F75 WeakPolarHBondContact O-CD2 3.15Å; H71-F75 WeakPolarHBondContact O-CE2 3.23Å |
| 72 | Y | 93 | Very high | 93 | Very high | 137 Ų | 137 | 128.4 Ų | 128.4 | 54% | 0.537 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -72.5 | -34.6 | -179.9 | -80.7 | -84.6 | 0 | 0 | 0 | 113.8 | F68 S69 E70 R74 F75 | F68-Y72 HydrophobicContact CD1-CD2 4.34Å; F68-Y72 HydrophobicContact CD2-CD2 4.03Å; F68-Y72 AromaticContact CD2-CE2 3.73Å; F68-Y72 HydrophobicContact CD2-CE2 3.73Å; F68-Y72 HydrophobicContact CE1-CD2 4.02Å; F68-Y72 HydrophobicContact CE1-CE2 4.28Å; F68-Y72 AromaticContact CE2-CD2 3.72Å; F68-Y72 HydrophobicContact CE2-CD2 3.72Å; F68-Y72 AromaticContact CE2-CE2 3.19Å; F68-Y72 HydrophobicContact CE2-CE2 3.19Å; F68-Y72 HydrophobicContact CG-CD2 4.34Å; F68-Y72 HydrophobicContact CG-CE2 4.48Å; F68-Y72 AromaticContact CZ-CD2 3.69Å; F68-Y72 HydrophobicContact CZ-CD2 3.69Å; F68-Y72 AromaticContact CZ-CE2 3.49Å; F68-Y72 HydrophobicContact CZ-CE2 3.49Å; F68-Y72 VanDerWaalsContact CZ-CE2 3.49Å; F68-Y72 WeakPolarHBondContact O-CD2 3.37Å; F68-Y72 PolarHBondContact O-N 3.23Å; F68-Y72 VanDerWaalsContact O-N 3.16Å; S69-Y72 PolarHBondContact O-N 3.47Å; E70-Y72 PolarHBondContact O-N 2.84Å; Y72-R74 PolarHBondContact O-N 3.28Å; Y72-F75 PolarHBondContact O-N 3.2Å; Y72-F75 VanDerWaalsContact O-N 3.09Å |
| 73 | L | 93.3 | Very high | 93 | Very high | 134 Ų | 134 | 129.7 Ų | 129.7 | 70% | 0.702 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -59.3 | -29.9 | 178.3 | -77.7 | 169.6 | 0 | 0 | 0 | 112.5 | S69 E70 F75 G76 | S69-L73 WeakPolarHBondContact O-CB 3.36Å; S69-L73 WeakPolarHBondContact O-CG 3.45Å; S69-L73 PolarHBondContact O-N 3.5Å; E70-L73 PolarHBondContact O-N 3.22Å; L73-F75 PolarHBondContact O-N 3.2Å; L73-G76 PolarHBondContact O-N 3.09Å |
| 74 | R | 93.1 | Very high | 92.8 | Very high | 202 Ų | 202 | 132.2 Ų | 132.2 | 76% | 0.762 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.1 | -29.3 | 176.9 | -69.9 | 173.8 | -173.7 | -167.5 | 2.6 | 113.4 | E70 Y72 G76 | E70-R74 WeakPolarHBondContact O-CG 3.35Å; E70-R74 PolarHBondContact O-N 3.4Å; Y72-R74 PolarHBondContact O-N 3.28Å; R74-G76 VanDerWaalsContact C-N 3.3Å |
| 75 | F | 91.4 | Very high | 92.5 | Very high | 147 Ų | 147 | 131.4 Ų | 131.4 | 65% | 0.645 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -5.9 | -178 | -57.7 | -77.9 | 0 | 0 | 0 | 113.1 | H71 Y72 L73 | H71-F75 AromaticContact CE1-CE2 3.62Å; H71-F75 AromaticContact ND1-CE2 3.86Å; H71-F75 VanDerWaalsContact O-CD2 3.23Å; H71-F75 WeakPolarHBondContact O-CD2 3.15Å; H71-F75 WeakPolarHBondContact O-CE2 3.23Å; Y72-F75 PolarHBondContact O-N 3.2Å; Y72-F75 VanDerWaalsContact O-N 3.09Å; L73-F75 PolarHBondContact O-N 3.2Å |
| 76 | G | 90.8 | Very high | 92.2 | Very high | 55 Ų | 55 | 131.1 Ų | 131.1 | 57% | 0.567 | 66% | 0.659 | S | S | * | * | trans | 72.5 | -157.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114 | L73 R74 H78 | L73-G76 PolarHBondContact O-N 3.09Å; R74-G76 VanDerWaalsContact C-N 3.3Å; G76-H78 PolarHBondContact O-N 3.49Å | ||
| 77 | M | 93.2 | Very high | 91.6 | Very high | 166 Ų | 166 | 131.9 Ų | 131.9 | 82% | 0.818 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -73 | 128 | -177.2 | -62.5 | -175.2 | -60.6 | 0 | 0 | 110.9 | R79 | M77-R79 PolarHBondContact O-N 3.49Š|
| 78 | H | 92.1 | Very high | 90.8 | Very high | 171 Ų | 171 | 129.9 Ų | 129.9 | 79% | 0.792 | 67% | 0.665 | S | S | * | * | trans | -55.6 | 137.1 | 173.4 | 174.9 | -88.3 | 0 | 0 | 0 | 111.4 | G76 | G76-H78 PolarHBondContact O-N 3.49Š| ||
| 79 | R | 91.3 | Very high | 89.7 | Confident | 192 Ų | 192 | 134.2 Ų | 134.2 | 73% | 0.725 | 68% | 0.677 | S | S | * | * | trans | -128.1 | 130.4 | 171.2 | -66.7 | -174.4 | 174.6 | -180 | -1.8 | 109 | M77 | M77-R79 PolarHBondContact O-N 3.49Š| ||
| 80 | D | 92.8 | Very high | 88.9 | Confident | 131 Ų | 131 | 133.3 Ų | 133.3 | 70% | 0.701 | 67% | 0.671 | S | S | * | * | trans | -80.2 | 126.3 | 172.2 | -166.1 | -6.1 | 0 | 0 | 0 | 109.6 | G82 | D80-G82 PolarHBondContact OD1-N 3.42Š| ||
| 81 | Q | 91.1 | Very high | 87.4 | Confident | 179 Ų | 179 | 139 Ų | 139 | 84% | 0.836 | 69% | 0.688 | S | S | * | * | trans | -125 | 10.3 | 175.3 | -63.4 | -175.5 | -14.5 | 0 | 0 | 111.5 | ||||
| 82 | G | 93.3 | Very high | 86 | Confident | 58 Ų | 58 | 140.4 Ų | 140.4 | 60% | 0.598 | 70% | 0.702 | S | S | * | * | trans | -75 | 146.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | D80 | D80-G82 PolarHBondContact OD1-N 3.42Š| ||
| 83 | F | 91.2 | Very high | 84.3 | Confident | 182 Ų | 182 | 139.9 Ų | 139.9 | 80% | 0.798 | 71% | 0.706 | S | S | * | * | trans | -87.1 | 140.7 | 168.1 | -166.2 | -93.8 | 0 | 0 | 0 | 110.3 | T85 | F83-T85 HydrophobicContact CB-CG2 4.48Å; F83-T85 HydrophobicContact CD1-CG2 3.96Å; F83-T85 PolarHBondContact O-N 3.07Å | ||
| 84 | N | 87.3 | Confident | 82.8 | Confident | 150 Ų | 150 | 135.5 Ų | 135.5 | 80% | 0.802 | 68% | 0.682 | S | S | * | * | trans | -71.1 | 96.9 | 173.6 | -71.5 | -38.6 | 0 | 0 | 0 | 110 | ||||
| 85 | T | 86.9 | Confident | 81.4 | Confident | 119 Ų | 119 | 129.4 Ų | 129.4 | 73% | 0.73 | 67% | 0.669 | S | S | * | * | trans | -102 | 4.2 | 179.6 | 52.5 | 0 | 0 | 0 | 0 | 113.2 | F83 V87 | F83-T85 HydrophobicContact CB-CG2 4.48Å; F83-T85 HydrophobicContact CD1-CG2 3.96Å; F83-T85 PolarHBondContact O-N 3.07Å; T85-V87 PolarHBondContact O-N 2.9Å; T85-V87 VanDerWaalsContact O-N 3.13Å | ||
| 86 | A | 86.1 | Confident | 80 | Confident | 96 Ų | 96 | 129.2 Ų | 129.2 | 79% | 0.793 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 120.5 | 177 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 87 | V | 81.8 | Confident | 78.6 | Confident | 114 Ų | 114 | 133.9 Ų | 133.9 | 69% | 0.691 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 138.4 | 171.6 | -178.1 | 0 | 0 | 0 | 0 | 108.1 | T85 R89 | T85-V87 PolarHBondContact O-N 2.9Å; T85-V87 VanDerWaalsContact O-N 3.13Å; V87-R89 PolarHBondContact O-N 3.32Å |
| 88 | D | 77.9 | Confident | 77.1 | Confident | 99 Ų | 99 | 128.6 Ų | 128.6 | 53% | 0.529 | 66% | 0.656 | S | S | . | * | P | Polyproline II helix | trans | -55.2 | 129.6 | 175.2 | -179.6 | 28.4 | 0 | 0 | 0 | 110.2 | S90 | D88-S90 PolarHBondContact OD1-N 3.01Å; D88-S90 VanDerWaalsContact OD2-CB 3.23Å; D88-S90 WeakPolarHBondContact OD2-CB 3.16Å; D88-S90 PolarHBondContact OD2-OG 2.94Å |
| 89 | R | 72.4 | Confident | 75.8 | Confident | 234 Ų | 234 | 125.1 Ų | 125.1 | 88% | 0.883 | 64% | 0.64 | S | S | * | * | trans | -106.1 | 21.1 | 179.7 | -67 | -174.6 | -71.6 | 166.1 | -3.1 | 111.4 | V87 W91 | V87-R89 PolarHBondContact O-N 3.32Å; R89-W91 PolarHBondContact O-N 3.41Å | ||
| 90 | S | 76.7 | Confident | 74.5 | Confident | 38 Ų | 38 | 120.3 Ų | 120.3 | 27% | 0.266 | 63% | 0.629 | S | S | . | * | trans | -55.1 | 137.9 | 176.9 | 65.7 | 0 | 0 | 0 | 0 | 110 | D88 V92 M93 | D88-S90 PolarHBondContact OD1-N 3.01Å; D88-S90 VanDerWaalsContact OD2-CB 3.23Å; D88-S90 WeakPolarHBondContact OD2-CB 3.16Å; D88-S90 PolarHBondContact OD2-OG 2.94Å; S90-V92 PolarHBondContact O-N 2.83Å; S90-M93 PolarHBondContact O-N 3.34Å; S90-M93 WeakPolarHBondContact OG-CB 3.33Å; S90-M93 WeakPolarHBondContact OG-CG 3.4Å; S90-M93 PolarHBondContact OG-N 3.29Å | ||
| 91 | W | 64 | Low | 73.3 | Confident | 226 Ų | 226 | 121.2 Ų | 121.2 | 86% | 0.856 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -62.1 | -21.7 | -176.4 | -147.6 | 68.1 | 0 | 0 | 0 | 112 | R89 H94 | R89-W91 PolarHBondContact O-N 3.41Å; W91-H94 PolarHBondContact O-CE1 3.38Å; W91-H94 PolarHBondContact O-ND1 3.49Å |
| 92 | V | 66.2 | Low | 72.1 | Confident | 118 Ų | 118 | 118.9 Ų | 118.9 | 72% | 0.715 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -85.1 | -43.5 | 178.9 | -175.8 | 0 | 0 | 0 | 0 | 111.6 | S90 H94 | S90-V92 PolarHBondContact O-N 2.83Å; V92-H94 PolarHBondContact O-N 2.95Å; V92-H94 VanDerWaalsContact O-N 3.14Å |
| 93 | M | 58.4 | Low | 71.1 | Confident | 126 Ų | 126 | 123.5 Ų | 123.5 | 62% | 0.621 | 61% | 0.61 | S | S | * | * | trans | -91 | 64.8 | -177.3 | -50.6 | -63.1 | -73.6 | 0 | 0 | 110.9 | S90 | S90-M93 PolarHBondContact O-N 3.34Å; S90-M93 WeakPolarHBondContact OG-CB 3.33Å; S90-M93 WeakPolarHBondContact OG-CG 3.4Å; S90-M93 PolarHBondContact OG-N 3.29Å | ||
| 94 | H | 60.3 | Low | 70.2 | Confident | 42 Ų | 42 | 121.5 Ų | 121.5 | 19% | 0.194 | 60% | 0.603 | C | S | . | * | trans | -67.8 | 143.1 | 170.1 | -79.8 | 49.4 | 0 | 0 | 0 | 110.3 | W91 V92 M96 Q99 R102 | W91-H94 PolarHBondContact O-CE1 3.38Å; W91-H94 PolarHBondContact O-ND1 3.49Å; V92-H94 PolarHBondContact O-N 2.95Å; V92-H94 VanDerWaalsContact O-N 3.14Å; H94-M96 PolarHBondContact O-N 3.3Å; H94-Q99 HydrophobicContact CB-CG 4.18Å; H94-R102 PolarHBondContact CD2-NH2 3.43Å; H94-R102 PolarHBondContact NE2-NH1 2.81Å; H94-R102 PolarHBondContact NE2-NH2 3.06Å | ||
| 95 | P | 63.7 | Low | 69.5 | Low | 75 Ų | 75 | 119.4 Ų | 119.4 | 49% | 0.487 | 59% | 0.592 | S | S | . | * | trans | -52.3 | 138.6 | 173.1 | -24.8 | 32.7 | 0 | 0 | 0 | 110.9 | E97 T98 Q99 | P95-E97 PolarHBondContact O-N 3Å; P95-T98 WeakPolarHBondContact O-CA 3.28Å; P95-T98 WeakPolarHBondContact O-CB 3.41Å; P95-T98 PolarHBondContact O-N 3.02Å; P95-Q99 PolarHBondContact O-N 3.37Å; P95-Q99 VanDerWaalsContact O-N 3.15Å | ||
| 96 | M | 62.1 | Low | 68.9 | Low | 142 Ų | 142 | 119.7 Ų | 119.7 | 70% | 0.7 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -55 | -31.9 | -172.7 | -158.6 | 172.2 | -175.3 | 0 | 0 | 112.6 | H94 T98 Q99 N100 | H94-M96 PolarHBondContact O-N 3.3Å; M96-T98 VanDerWaalsContact C-N 3.34Å; M96-T98 PolarHBondContact O-N 2.9Å; M96-Q99 PolarHBondContact O-N 3.49Å; M96-N100 VanDerWaalsContact O-CG 3.31Å; M96-N100 PolarHBondContact O-N 3.37Å; M96-N100 PolarHBondContact O-ND2 3.35Å |
| 97 | E | 61.6 | Low | 68.3 | Low | 154 Ų | 154 | 119.8 Ų | 119.8 | 72% | 0.72 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -60.5 | -39.1 | 173 | -67.9 | 176.2 | 177.8 | 0 | 0 | 113.3 | P95 K101 | P95-E97 PolarHBondContact O-N 3Å; E97-K101 PolarHBondContact O-N 2.98Å |
| 98 | T | 62.7 | Low | 68.1 | Low | 55 Ų | 55 | 118.7 Ų | 118.7 | 34% | 0.337 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -75.9 | -34.2 | 177.3 | -50.6 | 0 | 0 | 0 | 0 | 111.2 | P95 M96 K101 R102 | P95-T98 WeakPolarHBondContact O-CA 3.28Å; P95-T98 WeakPolarHBondContact O-CB 3.41Å; P95-T98 PolarHBondContact O-N 3.02Å; M96-T98 VanDerWaalsContact C-N 3.34Å; M96-T98 PolarHBondContact O-N 2.9Å; T98-K101 PolarHBondContact O-N 3.41Å; T98-R102 PolarHBondContact O-N 3.49Å |
| 99 | Q | 63.8 | Low | 67.9 | Low | 98 Ų | 98 | 122.6 Ų | 122.6 | 46% | 0.458 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -62.4 | -44.8 | 172.3 | -71.1 | -170.5 | -27.8 | 0 | 0 | 111.5 | H94 P95 M96 K101 R102 Y103 | H94-Q99 HydrophobicContact CB-CG 4.18Å; P95-Q99 PolarHBondContact O-N 3.37Å; P95-Q99 VanDerWaalsContact O-N 3.15Å; M96-Q99 PolarHBondContact O-N 3.49Å; Q99-K101 VanDerWaalsContact C-N 3.35Å; Q99-K101 PolarHBondContact O-N 3.32Å; Q99-R102 PolarHBondContact O-N 3.44Å; Q99-Y103 PolarHBondContact O-N 3.13Å |
| 100 | N | 64 | Low | 67.9 | Low | 91 Ų | 91 | 117.7 Ų | 117.7 | 49% | 0.487 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -61.1 | -41.1 | 178.8 | -72.3 | -22.7 | 0 | 0 | 0 | 112.3 | M96 Y103 Q104 | M96-N100 VanDerWaalsContact O-CG 3.31Å; M96-N100 PolarHBondContact O-N 3.37Å; M96-N100 PolarHBondContact O-ND2 3.35Å; N100-Y103 PolarHBondContact O-N 3.04Å; N100-Q104 WeakPolarHBondContact O-CG 3.4Å; N100-Q104 PolarHBondContact O-N 2.94Å |
| 101 | K | 67.7 | Low | 67.6 | Low | 150 Ų | 150 | 123 Ų | 123 | 65% | 0.652 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -63.8 | -41.4 | 175.6 | -71.8 | 178.7 | -177.3 | 175.5 | 0 | 112.5 | E97 T98 Q99 L105 | E97-K101 PolarHBondContact O-N 2.98Å; T98-K101 PolarHBondContact O-N 3.41Å; Q99-K101 VanDerWaalsContact C-N 3.35Å; Q99-K101 PolarHBondContact O-N 3.32Å; K101-L105 WeakPolarHBondContact O-CG 3.43Å; K101-L105 PolarHBondContact O-N 3.4Å |
| 102 | R | 65.6 | Low | 67.5 | Low | 130 Ų | 130 | 114.7 Ų | 114.7 | 49% | 0.491 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -66.2 | -42.3 | 175.9 | -75 | -171.5 | 179.6 | 162.7 | 7.5 | 112.1 | H94 T98 Q99 L105 Q106 | H94-R102 PolarHBondContact CD2-NH2 3.43Å; H94-R102 PolarHBondContact NE2-NH1 2.81Å; H94-R102 PolarHBondContact NE2-NH2 3.06Å; T98-R102 PolarHBondContact O-N 3.49Å; Q99-R102 PolarHBondContact O-N 3.44Å; R102-L105 PolarHBondContact O-N 2.89Å; R102-Q106 WeakPolarHBondContact O-CG 3.44Å; R102-Q106 PolarHBondContact O-N 3.15Å |
| 103 | Y | 71.7 | Confident | 67.3 | Low | 155 Ų | 155 | 117.2 Ų | 117.2 | 61% | 0.608 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -62.3 | -44.9 | 177.3 | -175.6 | -94.7 | 0 | 0 | 0 | 111.7 | Q99 N100 L105 Q106 H107 | Q99-Y103 PolarHBondContact O-N 3.13Å; N100-Y103 PolarHBondContact O-N 3.04Å; Y103-L105 PolarHBondContact O-N 2.93Å; Y103-Q106 PolarHBondContact O-N 3.44Å; Y103-H107 WeakPolarHBondContact O-CB 3.47Å; Y103-H107 PolarHBondContact O-N 3.29Å |
| 104 | Q | 72.5 | Confident | 67.4 | Low | 139 Ų | 139 | 119.3 Ų | 119.3 | 65% | 0.65 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -64.3 | -41 | 177.3 | -72.4 | -157.2 | 1 | 0 | 0 | 112.6 | N100 H107 V108 | N100-Q104 WeakPolarHBondContact O-CG 3.4Å; N100-Q104 PolarHBondContact O-N 2.94Å; Q104-H107 PolarHBondContact O-N 2.97Å; Q104-V108 VanDerWaalsContact O-CG2 3.28Å; Q104-V108 WeakPolarHBondContact O-CG2 3.44Å; Q104-V108 PolarHBondContact O-N 2.95Å |
| 105 | L | 72.6 | Confident | 67 | Low | 106 Ų | 106 | 123.5 Ų | 123.5 | 56% | 0.555 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -60.6 | -46.8 | 173.5 | -77.5 | 166.4 | 0 | 0 | 0 | 111.5 | K101 R102 Y103 H107 V108 Y109 | K101-L105 WeakPolarHBondContact O-CG 3.43Å; K101-L105 PolarHBondContact O-N 3.4Å; R102-L105 PolarHBondContact O-N 2.89Å; Y103-L105 PolarHBondContact O-N 2.93Å; L105-H107 VanDerWaalsContact C-N 3.34Å; L105-H107 PolarHBondContact O-N 3.21Å; L105-V108 PolarHBondContact O-N 3.18Å; L105-Y109 WeakPolarHBondContact O-CD2 3.39Å; L105-Y109 PolarHBondContact O-N 3.26Å |
| 106 | Q | 75.3 | Confident | 66.4 | Low | 126 Ų | 126 | 132 Ų | 132 | 59% | 0.589 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -60.5 | -42.3 | 176.8 | -76.1 | -179.3 | -20.5 | 0 | 0 | 112.3 | R102 Y103 Y109 L110 | R102-Q106 WeakPolarHBondContact O-CG 3.44Å; R102-Q106 PolarHBondContact O-N 3.15Å; Y103-Q106 PolarHBondContact O-N 3.44Å; Q106-Y109 PolarHBondContact O-N 3.22Å; Q106-L110 WeakPolarHBondContact O-CB 3.43Å; Q106-L110 WeakPolarHBondContact O-CG 3.36Å; Q106-L110 PolarHBondContact O-N 2.69Å |
| 107 | H | 74.3 | Confident | 65.9 | Low | 97 Ų | 97 | 129.9 Ų | 129.9 | 45% | 0.449 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -62.7 | -43.9 | 177 | -171.8 | -83.8 | 0 | 0 | 0 | 111.9 | Y103 Q104 L105 L110 Y111 | Y103-H107 WeakPolarHBondContact O-CB 3.47Å; Y103-H107 PolarHBondContact O-N 3.29Å; Q104-H107 PolarHBondContact O-N 2.97Å; L105-H107 VanDerWaalsContact C-N 3.34Å; L105-H107 PolarHBondContact O-N 3.21Å; H107-L110 PolarHBondContact O-N 3.06Å; H107-Y111 AromaticContact CD2-CD2 3.8Å; H107-Y111 AromaticContact NE2-CD2 3.87Å; H107-Y111 WeakPolarHBondContact O-CB 3.15Å; H107-Y111 WeakPolarHBondContact O-CD2 3.17Å; H107-Y111 PolarHBondContact O-N 3.4Å |
| 108 | V | 75.9 | Confident | 65.5 | Low | 92 Ų | 92 | 128.4 Ų | 128.4 | 56% | 0.558 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -64.6 | -39.3 | 176.4 | 172.2 | 0 | 0 | 0 | 0 | 111.6 | Q104 L105 G112 | Q104-V108 VanDerWaalsContact O-CG2 3.28Å; Q104-V108 WeakPolarHBondContact O-CG2 3.44Å; Q104-V108 PolarHBondContact O-N 2.95Å; L105-V108 PolarHBondContact O-N 3.18Å; V108-G112 WeakPolarHBondContact O-CA 3.23Å; V108-G112 PolarHBondContact O-N 3.14Å |
| 109 | Y | 73.4 | Confident | 64.8 | Low | 181 Ų | 181 | 131 Ų | 131 | 71% | 0.71 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -66.6 | -39.1 | 177 | -95.9 | -84.4 | 0 | 0 | 0 | 113.1 | L105 Q106 | L105-Y109 WeakPolarHBondContact O-CD2 3.39Å; L105-Y109 PolarHBondContact O-N 3.26Å; Q106-Y109 PolarHBondContact O-N 3.22Å |
| 110 | L | 73.7 | Confident | 63.9 | Low | 131 Ų | 131 | 134.1 Ų | 134.1 | 69% | 0.686 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -80.3 | -33.3 | -177.4 | -70.3 | 169.5 | 0 | 0 | 0 | 113 | Q106 H107 | Q106-L110 WeakPolarHBondContact O-CB 3.43Å; Q106-L110 WeakPolarHBondContact O-CG 3.36Å; Q106-L110 PolarHBondContact O-N 2.69Å; H107-L110 PolarHBondContact O-N 3.06Å |
| 111 | Y | 69.5 | Low | 63 | Low | 148 Ų | 148 | 143.4 Ų | 143.4 | 58% | 0.58 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -120.4 | -7 | -170.1 | -59.3 | -76.7 | 0 | 0 | 0 | 114.4 | H107 H113 | H107-Y111 AromaticContact CD2-CD2 3.8Å; H107-Y111 AromaticContact NE2-CD2 3.87Å; H107-Y111 WeakPolarHBondContact O-CB 3.15Å; H107-Y111 WeakPolarHBondContact O-CD2 3.17Å; H107-Y111 PolarHBondContact O-N 3.4Å; Y111-H113 VanDerWaalsContact C-N 3.32Å; Y111-H113 PolarHBondContact O-N 2.96Å |
| 112 | G | 63.5 | Low | 62.7 | Low | 52 Ų | 52 | 143.1 Ų | 143.1 | 54% | 0.536 | 72% | 0.719 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.6 | -1.7 | -173.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | V108 | V108-G112 WeakPolarHBondContact O-CA 3.23Å; V108-G112 PolarHBondContact O-N 3.14Å |
| 113 | H | 60.8 | Low | 62.6 | Low | 171 Ų | 171 | 143.8 Ų | 143.8 | 79% | 0.792 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | 2.6 | -179.9 | -79.3 | -68.3 | 0 | 0 | 0 | 115 | Y111 C115 | Y111-H113 VanDerWaalsContact C-N 3.32Å; Y111-H113 PolarHBondContact O-N 2.96Å; H113-C115 PolarHBondContact O-N 3.27Å |
| 114 | Q | 60.8 | Low | 62.1 | Low | 171 Ų | 171 | 143.2 Ų | 143.2 | 80% | 0.799 | 74% | 0.738 | S | S | * | * | trans | -96.5 | 80.4 | 175.9 | -70.6 | 177.4 | -1.8 | 0 | 0 | 110.7 | ||||
| 115 | C | 51.8 | Low | 61.5 | Low | 129 Ų | 129 | 143.4 Ų | 143.4 | 87% | 0.872 | 74% | 0.743 | S | S | * | * | trans | 174.9 | 73.6 | 153.8 | -93.1 | 0 | 0 | 0 | 0 | 110.3 | H113 | H113-C115 PolarHBondContact O-N 3.27Š| ||
| 116 | R | 52.1 | Low | 60.8 | Low | 253 Ų | 253 | 145.8 Ų | 145.8 | 96% | 0.955 | 76% | 0.755 | S | S | * | * | trans | -156.9 | 52.3 | 161.3 | -131 | 175.2 | -174.5 | 176.5 | 1.2 | 112.6 | ||||
| 117 | A | 50.7 | Low | 59.8 | Low | 98 Ų | 98 | 147.1 Ų | 147.1 | 81% | 0.81 | 77% | 0.766 | S | S | * | * | trans | -157.4 | 70.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 118 | S | 52.6 | Low | 58.8 | Low | 124 Ų | 124 | 150.6 Ų | 150.6 | 87% | 0.867 | 79% | 0.789 | S | S | * | * | trans | -171.6 | 76.9 | 159.5 | 47.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 119 | S | 49.3 | Very low | 57.5 | Low | 109 Ų | 109 | 155.2 Ų | 155.2 | 76% | 0.762 | 81% | 0.807 | S | S | * | * | trans | -154.7 | 106.7 | 151.6 | -168.5 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 120 | N | 44.7 | Very low | 56.1 | Low | 163 Ų | 163 | 153 Ų | 153 | 87% | 0.872 | 82% | 0.815 | S | S | * | * | trans | 173.7 | 91.6 | 156.9 | -84.7 | -20.7 | 0 | 0 | 0 | 107.7 | ||||
| 121 | K | 44.1 | Very low | 54.5 | Low | 287 Ų | 287 | 155 Ų | 155 | 100% | 1.248 | 83% | 0.827 | S | S | * | * | trans | -149.8 | 0 | 149 | -98.2 | -170.7 | -177.1 | -177.8 | 0 | 108 |
Retrieved 121 of 121 residues in 63.4 ms
(Link to these results)