| 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 | 45.4 | Very low | 46.2 | Very low | 235 Ų | 235 | 151.1 Ų | 151.1 | 100% | 1.158 | 79% | 0.786 | S | S | * | * | 0 | 79.8 | 0 | -79.7 | -83.7 | -174.2 | 0 | 0 | 103.3 | |||||
| 2 | D | 42 | Very low | 45.9 | Very low | 157 Ų | 157 | 146.3 Ų | 146.3 | 84% | 0.84 | 78% | 0.776 | S | S | * | * | trans | -83.6 | 125.1 | -161.8 | -57.3 | -26.1 | 0 | 0 | 0 | 108 | E4 | D2-E4 PolarHBondContact O-N 2.92Å; D2-E4 VanDerWaalsContact O-N 3.08Å | ||
| 3 | S | 52.3 | Low | 45.7 | Very low | 104 Ų | 104 | 145.9 Ų | 145.9 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | -64.1 | 102.9 | 177.1 | 50.5 | 0 | 0 | 0 | 0 | 109.3 | N5 | S3-N5 PolarHBondContact O-N 2.96Š| ||
| 4 | E | 55.8 | Low | 45.5 | Very low | 183 Ų | 183 | 146.1 Ų | 146.1 | 86% | 0.855 | 78% | 0.775 | S | S | * | * | trans | -63.3 | 103.1 | 167 | -69.8 | -170 | 163.5 | 0 | 0 | 108.5 | D2 Y6 | D2-E4 PolarHBondContact O-N 2.92Å; D2-E4 VanDerWaalsContact O-N 3.08Å; E4-Y6 PolarHBondContact O-N 3.46Å | ||
| 5 | N | 44.4 | Very low | 45.8 | Very low | 142 Ų | 142 | 145 Ų | 145 | 76% | 0.759 | 77% | 0.77 | S | S | * | * | trans | -65.4 | 101 | 166.1 | -95 | -67.5 | 0 | 0 | 0 | 107.6 | S3 V7 | S3-N5 PolarHBondContact O-N 2.96Å; N5-V7 VanDerWaalsContact C-N 3.33Å; N5-V7 PolarHBondContact O-N 3.03Å | ||
| 6 | Y | 47.1 | Very low | 46.7 | Very low | 208 Ų | 208 | 145.5 Ų | 145.5 | 82% | 0.816 | 77% | 0.766 | S | S | * | * | trans | -66.2 | 97.7 | 164.5 | -132.7 | -92.5 | 0 | 0 | 0 | 106.9 | E4 E8 | E4-Y6 PolarHBondContact O-N 3.46Å; Y6-E8 PolarHBondContact O-N 3.12Å | ||
| 7 | V | 48.6 | Very low | 48.4 | Very low | 113 Ų | 113 | 139.4 Ų | 139.4 | 69% | 0.685 | 74% | 0.741 | S | S | * | * | trans | -69.7 | 92.4 | 167.9 | 179.9 | 0 | 0 | 0 | 0 | 105.7 | N5 T9 | N5-V7 VanDerWaalsContact C-N 3.33Å; N5-V7 PolarHBondContact O-N 3.03Å; V7-T9 HydrophobicContact CG1-CG2 4.07Å; V7-T9 PolarHBondContact O-N 3.3Å | ||
| 8 | E | 44.4 | Very low | 50.6 | Low | 140 Ų | 140 | 136.9 Ų | 136.9 | 65% | 0.654 | 73% | 0.726 | S | S | * | * | trans | -60.4 | 93.9 | 160.3 | -91.8 | -175.5 | 162 | 0 | 0 | 106.9 | Y6 H10 | Y6-E8 PolarHBondContact O-N 3.12Å; E8-H10 PolarHBondContact O-N 2.76Å; E8-H10 IonicContact OE2-CE1 3.59Å; E8-H10 IonicContact OE2-NE2 3.83Å | ||
| 9 | T | 43 | Very low | 52.8 | Low | 118 Ų | 118 | 132.5 Ų | 132.5 | 72% | 0.724 | 70% | 0.7 | S | S | * | * | trans | -67.1 | 86.2 | 161.9 | 53.1 | 0 | 0 | 0 | 0 | 106.4 | V7 P11 | V7-T9 HydrophobicContact CG1-CG2 4.07Å; V7-T9 PolarHBondContact O-N 3.3Å; T9-P11 WeakPolarHBondContact O-CD 3.39Å | ||
| 10 | H | 41.2 | Very low | 54.9 | Low | 144 Ų | 144 | 126 Ų | 126 | 67% | 0.667 | 67% | 0.666 | S | S | * | * | trans | -55 | 120.4 | 159.5 | -65.6 | -59.7 | 0 | 0 | 0 | 106.3 | E8 S12 | E8-H10 PolarHBondContact O-N 2.76Å; E8-H10 IonicContact OE2-CE1 3.59Å; E8-H10 IonicContact OE2-NE2 3.83Å; H10-S12 PolarHBondContact O-N 2.85Å | ||
| 11 | P | 44.4 | Very low | 56.8 | Low | 118 Ų | 118 | 122.2 Ų | 122.2 | 77% | 0.766 | 65% | 0.65 | S | S | * | * | trans | -58.6 | 119.1 | 170.7 | 5.1 | 2.4 | 0 | 0 | 0 | 105.9 | T9 D13 | T9-P11 WeakPolarHBondContact O-CD 3.39Å; P11-D13 PolarHBondContact O-N 3.16Å | ||
| 12 | S | 42.2 | Very low | 59.1 | Low | 94 Ų | 94 | 115.9 Ų | 115.9 | 66% | 0.657 | 62% | 0.621 | S | S | * | * | trans | -41.7 | 123 | 175.5 | 40.8 | 0 | 0 | 0 | 0 | 110 | H10 D14 | H10-S12 PolarHBondContact O-N 2.85Å; S12-D14 PolarHBondContact O-N 3.35Å | ||
| 13 | D | 42.9 | Very low | 61.6 | Low | 141 Ų | 141 | 111.4 Ų | 111.4 | 75% | 0.754 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -72.6 | 35.9 | -176.1 | -134.2 | -16.2 | 0 | 0 | 0 | 112.5 | P11 N15 | P11-D13 PolarHBondContact O-N 3.16Å; D13-N15 VanDerWaalsContact C-N 3.28Å; D13-N15 PolarHBondContact O-N 2.99Å; D13-N15 PolarHBondContact OD1-ND2 3.31Å |
| 14 | D | 43.9 | Very low | 63.6 | Low | 148 Ų | 148 | 111 Ų | 111 | 79% | 0.791 | 58% | 0.582 | S | S | * | * | trans | -95.8 | 59.3 | 172.2 | -64.5 | -34.2 | 0 | 0 | 0 | 108.2 | S12 E16 | S12-D14 PolarHBondContact O-N 3.35Å; D14-E16 PolarHBondContact O-N 3.21Å | ||
| 15 | N | 49.4 | Very low | 65.6 | Low | 130 Ų | 130 | 111.7 Ų | 111.7 | 70% | 0.695 | 58% | 0.582 | S | S | * | * | trans | -74.3 | 60.1 | -175.7 | -77.7 | -69.5 | 0 | 0 | 0 | 112.5 | D13 A17 | D13-N15 VanDerWaalsContact C-N 3.28Å; D13-N15 PolarHBondContact O-N 2.99Å; D13-N15 PolarHBondContact OD1-ND2 3.31Å; N15-A17 VanDerWaalsContact C-N 3.29Å; N15-A17 PolarHBondContact O-N 3.46Å | ||
| 16 | E | 60 | Low | 68 | Low | 153 Ų | 153 | 106.9 Ų | 106.9 | 72% | 0.715 | 56% | 0.558 | S | S | * | * | trans | -72.7 | 95.6 | 154.5 | -88.8 | -152.1 | 124 | 0 | 0 | 108.1 | D14 M18 K19 | D14-E16 PolarHBondContact O-N 3.21Å; E16-M18 PolarHBondContact O-N 3.18Å; E16-M18 VanDerWaalsContact O-N 3.11Å; E16-K19 IonicContact OE1-NZ 2.87Å; E16-K19 PolarHBondContact OE1-NZ 3.49Å | ||
| 17 | A | 76.2 | Confident | 70.3 | Confident | 41 Ų | 41 | 100.3 Ų | 100.3 | 34% | 0.339 | 54% | 0.537 | S | S | . | . | trans | -37.4 | 116.6 | 163.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | N15 K19 D38 | N15-A17 VanDerWaalsContact C-N 3.29Å; N15-A17 PolarHBondContact O-N 3.46Å; A17-K19 PolarHBondContact O-N 2.88Å; A17-K19 VanDerWaalsContact O-N 3.16Å; A17-D38 HydrophobicContact CB-CB 4.27Å; A17-D38 WeakPolarHBondContact CB-OD2 3.28Å | ||
| 18 | M | 87.4 | Confident | 72.5 | Confident | 96 Ų | 96 | 104.9 Ų | 104.9 | 47% | 0.473 | 55% | 0.548 | S | S | . | . | trans | -56.5 | 120.6 | -176.6 | -173.3 | 173.7 | 59.1 | 0 | 0 | 109.9 | E16 V23 V66 | E16-M18 PolarHBondContact O-N 3.18Å; E16-M18 VanDerWaalsContact O-N 3.11Å; M18-V23 HydrophobicContact CE-CG2 4.24Å; M18-V23 HydrophobicContact CG-CG2 3.91Å; M18-V23 HydrophobicContact SD-CG2 3.51Å; M18-V23 VanDerWaalsContact SD-CG2 3.51Å; M18-V66 HydrophobicContact CB-CG1 4.33Å; M18-V66 HydrophobicContact CE-CB 4.22Å; M18-V66 HydrophobicContact CE-CG1 3.88Å; M18-V66 HydrophobicContact CE-CG2 3.28Å; M18-V66 HydrophobicContact CG-CG1 4.13Å; M18-V66 WeakPolarHBondContact O-CG1 3.37Å; M18-V66 HydrophobicContact SD-CG2 4.4Å | ||
| 19 | K | 92.6 | Very high | 74.8 | Confident | 52 Ų | 52 | 105 Ų | 105 | 23% | 0.226 | 55% | 0.553 | C | S | . | * | trans | -87.5 | 153.9 | -179.2 | -55.9 | 167.8 | -171.4 | 137.3 | 0 | 109.3 | E16 A17 S21 D22 N35 | E16-K19 IonicContact OE1-NZ 2.87Å; E16-K19 PolarHBondContact OE1-NZ 3.49Å; A17-K19 PolarHBondContact O-N 2.88Å; A17-K19 VanDerWaalsContact O-N 3.16Å; K19-S21 PolarHBondContact O-N 2.83Å; K19-D22 VanDerWaalsContact CB-OD2 3.28Å; K19-D22 WeakPolarHBondContact CB-OD2 3.31Å; K19-D22 PolarHBondContact N-OD2 3.35Å; K19-D22 WeakPolarHBondContact O-CB 3.38Å; K19-D22 PolarHBondContact O-N 3.21Å; K19-D22 VanDerWaalsContact O-N 3.13Å; K19-N35 CarbonylContact C-O 3.49Å; K19-N35 VanDerWaalsContact CA-O 3.29Å; K19-N35 WeakPolarHBondContact CA-O 3.1Å; K19-N35 WeakPolarHBondContact CB-O 3.25Å | ||
| 20 | T | 94.4 | Very high | 77.3 | Confident | 2 Ų | 2 | 100.3 Ų | 100.3 | 1% | 0.012 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -65.4 | -31.3 | 177.5 | 66.1 | 0 | 0 | 0 | 0 | 112.4 | D22 V23 Y24 F34 N35 V66 M69 | T20-D22 PolarHBondContact O-N 3.11Å; T20-V23 PolarHBondContact O-N 3.03Å; T20-Y24 PolarHBondContact O-N 3.26Å; T20-F34 WeakPolarHBondContact CG2-O 3.47Å; T20-N35 PolarHBondContact N-O 2.93Å; T20-N35 PolarHBondContact N-OD1 3.32Å; T20-N35 WeakPolarHBondContact OG1-CA 3.29Å; T20-N35 PolarHBondContact OG1-OD1 3.13Å; T20-V66 HydrophobicContact CG2-CB 4.08Å; T20-V66 HydrophobicContact CG2-CG1 4.18Å; T20-M69 HydrophobicContact CG2-CB 3.37Å; T20-M69 HydrophobicContact CG2-CG 3.68Å |
| 21 | S | 94.4 | Very high | 79.8 | Confident | 48 Ų | 48 | 95.5 Ų | 95.5 | 34% | 0.336 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.9 | -23.9 | 175.5 | 53.4 | 0 | 0 | 0 | 0 | 113.6 | K19 Y24 N35 | K19-S21 PolarHBondContact O-N 2.83Å; S21-Y24 CarbonylContact C-O 3.59Å; S21-Y24 WeakPolarHBondContact CA-O 3.4Å; S21-N35 WeakPolarHBondContact CB-OD1 3.39Å; S21-N35 PolarHBondContact N-OD1 3.43Å; S21-N35 PolarHBondContact OG-ND2 2.83Å; S21-N35 PolarHBondContact OG-OD1 3.14Å |
| 22 | D | 93.9 | Very high | 82.2 | Confident | 102 Ų | 102 | 98.4 Ų | 98.4 | 55% | 0.545 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -79 | -28.3 | -177.6 | -52.3 | -20.9 | 0 | 0 | 0 | 110.7 | K19 T20 | K19-D22 VanDerWaalsContact CB-OD2 3.28Å; K19-D22 WeakPolarHBondContact CB-OD2 3.31Å; K19-D22 PolarHBondContact N-OD2 3.35Å; K19-D22 WeakPolarHBondContact O-CB 3.38Å; K19-D22 PolarHBondContact O-N 3.21Å; K19-D22 VanDerWaalsContact O-N 3.13Å; T20-D22 PolarHBondContact O-N 3.11Å |
| 23 | V | 94.8 | Very high | 84.7 | Confident | 62 Ų | 62 | 100.7 Ų | 100.7 | 38% | 0.376 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -102.2 | -34.6 | -178 | -175.8 | 0 | 0 | 0 | 0 | 112 | M18 T20 V66 | M18-V23 HydrophobicContact CE-CG2 4.24Å; M18-V23 HydrophobicContact CG-CG2 3.91Å; M18-V23 HydrophobicContact SD-CG2 3.51Å; M18-V23 VanDerWaalsContact SD-CG2 3.51Å; T20-V23 PolarHBondContact O-N 3.03Å; V23-V66 HydrophobicContact CB-CG2 4.46Å; V23-V66 HydrophobicContact CG2-CG2 4.08Å |
| 24 | Y | 95.9 | Very high | 87.1 | Confident | 95 Ų | 95 | 95.2 Ų | 95.2 | 37% | 0.373 | 47% | 0.469 | S | S | . | . | S | Bend | trans | -128.1 | 152.5 | -173.3 | -62.2 | -71.8 | 0 | 0 | 0 | 112.2 | T20 S21 V26 H67 | T20-Y24 PolarHBondContact O-N 3.26Å; S21-Y24 CarbonylContact C-O 3.59Å; S21-Y24 WeakPolarHBondContact CA-O 3.4Å; Y24-V26 PolarHBondContact O-N 3.38Å; Y24-H67 AromaticContact CE2-ND1 3.58Å; Y24-H67 AromaticContact CZ-ND1 3.57Å; Y24-H67 PolarHBondContact OH-ND1 2.75Å |
| 25 | K | 96.3 | Very high | 89.6 | Confident | 199 Ų | 199 | 89.7 Ų | 89.7 | 87% | 0.865 | 44% | 0.439 | S | S | * | . | trans | -73.5 | 113.4 | 169.1 | -173 | 179 | 179.8 | -179 | 0 | 109.5 | ||||
| 26 | V | 95.8 | Very high | 91.7 | Very high | 40 Ų | 40 | 85.9 Ų | 85.9 | 24% | 0.242 | 42% | 0.419 | C | S | . | . | trans | -110.4 | 156.6 | -178.7 | -61.8 | 0 | 0 | 0 | 0 | 112.5 | Y24 L30 T71 | Y24-V26 PolarHBondContact O-N 3.38Å; V26-L30 HydrophobicContact CB-CD2 3.94Å; V26-L30 HydrophobicContact CG1-CD2 3.97Å; V26-T71 HydrophobicContact CG1-CG2 4.45Å | ||
| 27 | D | 95.8 | Very high | 93.3 | Very high | 71 Ų | 71 | 78.9 Ų | 78.9 | 38% | 0.38 | 39% | 0.387 | S | S | . | . | trans | -68.5 | 146.3 | 171.9 | -164.8 | -71.1 | 0 | 0 | 0 | 111.4 | N29 L30 T71 T72 | D27-N29 PolarHBondContact O-N 2.87Å; D27-N29 WeakPolarHBondContact OD1-CB 3.06Å; D27-N29 PolarHBondContact OD1-N 3.23Å; D27-L30 VanDerWaalsContact O-CB 3.31Å; D27-L30 WeakPolarHBondContact O-CB 2.99Å; D27-L30 PolarHBondContact O-N 3.27Å; D27-T71 PolarHBondContact N-O 3.24Å; D27-T72 HydrophobicContact CB-CG2 4.13Å | ||
| 28 | K | 92.8 | Very high | 93.9 | Very high | 209 Ų | 209 | 80.7 Ų | 80.7 | 91% | 0.909 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -29.6 | 177.1 | -64.5 | -179.5 | 179.9 | -179.9 | 0 | 112.7 | L30 | K28-L30 VanDerWaalsContact C-N 3.35Š|
| 29 | N | 93.4 | Very high | 94 | Very high | 143 Ų | 143 | 79 Ų | 79 | 77% | 0.765 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | 10.7 | -178.6 | -59.2 | -48.6 | 0 | 0 | 0 | 112.8 | D27 P31 | D27-N29 PolarHBondContact O-N 2.87Å; D27-N29 WeakPolarHBondContact OD1-CB 3.06Å; D27-N29 PolarHBondContact OD1-N 3.23Å; N29-P31 WeakPolarHBondContact O-CD 3.43Å |
| 30 | L | 94.8 | Very high | 93.9 | Very high | 18 Ų | 18 | 78.8 Ų | 78.8 | 9% | 0.094 | 39% | 0.387 | C | S | . | . | trans | -62.6 | 126.7 | 177.3 | -173 | 69.7 | 0 | 0 | 0 | 110 | V26 D27 K28 K32 F34 N35 P70 F73 | V26-L30 HydrophobicContact CB-CD2 3.94Å; V26-L30 HydrophobicContact CG1-CD2 3.97Å; D27-L30 VanDerWaalsContact O-CB 3.31Å; D27-L30 WeakPolarHBondContact O-CB 2.99Å; D27-L30 PolarHBondContact O-N 3.27Å; K28-L30 VanDerWaalsContact C-N 3.35Å; L30-K32 PolarHBondContact O-N 3.39Å; L30-F34 HydrophobicContact CD1-CB 3.98Å; L30-F34 HydrophobicContact CD1-CD2 4.28Å; L30-F34 HydrophobicContact CD2-CB 4.19Å; L30-F34 HydrophobicContact CG-CB 4.03Å; L30-N35 HydrophobicContact CD2-CB 4.4Å; L30-P70 WeakPolarHBondContact CD1-O 3.44Å; L30-F73 HydrophobicContact CD1-CB 4.03Å | ||
| 31 | P | 95.1 | Very high | 93.7 | Very high | 43 Ų | 43 | 87.1 Ų | 87.1 | 28% | 0.279 | 43% | 0.426 | S | S | . | . | trans | -54.1 | 136.4 | 175.1 | -27.8 | 33.6 | 0 | 0 | 0 | 112.1 | N29 R33 F34 N35 F73 | N29-P31 WeakPolarHBondContact O-CD 3.43Å; P31-R33 PolarHBondContact O-N 3.28Å; P31-F34 HydrophobicContact CB-CD2 3.86Å; P31-F34 HydrophobicContact CB-CE2 4.29Å; P31-F34 HydrophobicContact CG-CD2 3.86Å; P31-F34 HydrophobicContact CG-CE2 4.07Å; P31-F34 PolarHBondContact O-N 2.84Å; P31-N35 PolarHBondContact O-N 3.18Å; P31-F73 HydrophobicContact CG-CB 4.24Å; P31-F73 HydrophobicContact CG-CD1 3.54Å; P31-F73 HydrophobicContact CG-CE1 4.22Å; P31-F73 HydrophobicContact CG-CG 4.12Å | ||
| 32 | K | 94.3 | Very high | 93.4 | Very high | 180 Ų | 180 | 87.8 Ų | 87.8 | 78% | 0.783 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -51.1 | -33.4 | -178.9 | -67.7 | -174.6 | 178.3 | -176.4 | 0 | 113.3 | L30 F34 N35 N36 | L30-K32 PolarHBondContact O-N 3.39Å; K32-F34 VanDerWaalsContact C-N 3.31Å; K32-F34 PolarHBondContact O-N 3.18Å; K32-N35 PolarHBondContact O-N 3.49Å; K32-N36 PolarHBondContact O-N 3.32Å; K32-N36 VanDerWaalsContact O-N 3.07Å; K32-N36 PolarHBondContact O-ND2 2.87Å |
| 33 | R | 94.1 | Very high | 93.2 | Very high | 141 Ų | 141 | 87.7 Ų | 87.7 | 53% | 0.532 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61.8 | -37.1 | 178.6 | -158.1 | -177.1 | 62.8 | -154.5 | 0.3 | 112.7 | P31 C39 F40 | P31-R33 PolarHBondContact O-N 3.28Å; R33-C39 WeakPolarHBondContact CG-SG 3.13Å; R33-C39 PolarHBondContact O-SG 3.16Å; R33-F40 HydrophobicContact CG-CE1 4.11Å; R33-F40 HydrophobicContact CG-CE2 3.96Å; R33-F40 HydrophobicContact CG-CZ 3.73Å; R33-F40 VanDerWaalsContact NE-CE1 3.34Å; R33-F40 WeakPolarHBondContact O-CE2 3.28Å |
| 34 | F | 95.1 | Very high | 92.4 | Very high | 26 Ų | 26 | 88 Ų | 88 | 11% | 0.114 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -79.2 | -28 | 176.2 | -61.5 | -53.5 | 0 | 0 | 0 | 111.8 | T20 L30 P31 K32 N36 F40 M69 P70 F73 | T20-F34 WeakPolarHBondContact CG2-O 3.47Å; L30-F34 HydrophobicContact CD1-CB 3.98Å; L30-F34 HydrophobicContact CD1-CD2 4.28Å; L30-F34 HydrophobicContact CD2-CB 4.19Å; L30-F34 HydrophobicContact CG-CB 4.03Å; P31-F34 HydrophobicContact CB-CD2 3.86Å; P31-F34 HydrophobicContact CB-CE2 4.29Å; P31-F34 HydrophobicContact CG-CD2 3.86Å; P31-F34 HydrophobicContact CG-CE2 4.07Å; P31-F34 PolarHBondContact O-N 2.84Å; K32-F34 VanDerWaalsContact C-N 3.31Å; K32-F34 PolarHBondContact O-N 3.18Å; F34-N36 VanDerWaalsContact C-N 3.33Å; F34-F40 HydrophobicContact CD1-CE2 4.45Å; F34-F40 HydrophobicContact CD1-CZ 4.01Å; F34-F40 HydrophobicContact CE1-CZ 4.04Å; F34-M69 HydrophobicContact CB-SD 4.35Å; F34-M69 HydrophobicContact CD1-SD 3.9Å; F34-M69 WeakPolarHBondContact O-CG 3.35Å; F34-P70 HydrophobicContact CB-CG 4.13Å; F34-P70 HydrophobicContact CD1-CG 3.81Å; F34-P70 HydrophobicContact CD2-CG 4.2Å; F34-P70 HydrophobicContact CE1-CG 4.24Å; F34-P70 HydrophobicContact CG-CG 3.79Å; F34-F73 HydrophobicContact CD2-CB 4.1Å; F34-F73 HydrophobicContact CD2-CD2 4.33Å; F34-F73 HydrophobicContact CD2-CG 4.15Å; F34-F73 HydrophobicContact CE2-CB 4.06Å; F34-F73 HydrophobicContact CE2-CD1 4.12Å; F34-F73 AromaticContact CE2-CD2 3.47Å; F34-F73 HydrophobicContact CE2-CD2 3.47Å; F34-F73 VanDerWaalsContact CE2-CD2 3.47Å; F34-F73 HydrophobicContact CE2-CE1 4.46Å; F34-F73 AromaticContact CE2-CE2 3.88Å; F34-F73 HydrophobicContact CE2-CE2 3.88Å; F34-F73 AromaticContact CE2-CG 3.6Å; F34-F73 HydrophobicContact CE2-CG 3.6Å; F34-F73 HydrophobicContact CE2-CZ 4.35Å; F34-F73 HydrophobicContact CZ-CD2 4.02Å; F34-F73 HydrophobicContact CZ-CE2 4.14Å |
| 35 | N | 95.3 | Very high | 91.3 | Very high | 32 Ų | 32 | 88.3 Ų | 88.3 | 17% | 0.171 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -71.9 | -26.6 | 175 | -162.6 | 34.5 | 0 | 0 | 0 | 113.9 | K19 T20 S21 L30 P31 K32 | K19-N35 CarbonylContact C-O 3.49Å; K19-N35 VanDerWaalsContact CA-O 3.29Å; K19-N35 WeakPolarHBondContact CA-O 3.1Å; K19-N35 WeakPolarHBondContact CB-O 3.25Å; T20-N35 PolarHBondContact N-O 2.93Å; T20-N35 PolarHBondContact N-OD1 3.32Å; T20-N35 WeakPolarHBondContact OG1-CA 3.29Å; T20-N35 PolarHBondContact OG1-OD1 3.13Å; S21-N35 WeakPolarHBondContact CB-OD1 3.39Å; S21-N35 PolarHBondContact N-OD1 3.43Å; S21-N35 PolarHBondContact OG-ND2 2.83Å; S21-N35 PolarHBondContact OG-OD1 3.14Å; L30-N35 HydrophobicContact CD2-CB 4.4Å; P31-N35 PolarHBondContact O-N 3.18Å; K32-N35 PolarHBondContact O-N 3.49Å |
| 36 | N | 94.4 | Very high | 90.5 | Very high | 51 Ų | 51 | 87.3 Ų | 87.3 | 27% | 0.273 | 45% | 0.446 | S | S | . | . | trans | -120.1 | 89.3 | -176.3 | -57.3 | -91.2 | 0 | 0 | 0 | 109.2 | K32 F34 D38 C39 | K32-N36 PolarHBondContact O-N 3.32Å; K32-N36 VanDerWaalsContact O-N 3.07Å; K32-N36 PolarHBondContact O-ND2 2.87Å; F34-N36 VanDerWaalsContact C-N 3.33Å; N36-D38 PolarHBondContact O-N 3.16Å; N36-D38 VanDerWaalsContact O-N 3.15Å; N36-C39 PolarHBondContact O-N 3.33Å; N36-C39 PolarHBondContact O-SG 2.92Å | ||
| 37 | P | 92.1 | Very high | 89.7 | Confident | 5 Ų | 5 | 95.5 Ų | 95.5 | 3% | 0.032 | 48% | 0.478 | C | S | . | . | G | 310 helix | trans | -61.8 | -25.6 | -174.1 | 25.1 | -34.6 | 0 | 0 | 0 | 113.5 | C39 F40 V66 M69 | P37-C39 PolarHBondContact O-N 3.11Å; P37-F40 WeakPolarHBondContact O-CD2 3.35Å; P37-F40 PolarHBondContact O-N 2.98Å; P37-F40 VanDerWaalsContact O-N 3.17Å; P37-V66 HydrophobicContact CG-CG1 3.75Å; P37-M69 HydrophobicContact CB-CE 4.31Å; P37-M69 HydrophobicContact CB-CG 4.06Å |
| 38 | D | 89.6 | Confident | 89.1 | Confident | 80 Ų | 80 | 95.2 Ų | 95.2 | 43% | 0.428 | 48% | 0.476 | S | S | . | . | G | 310 helix | trans | -70.3 | -12.7 | -178.5 | -66.6 | -37.9 | 0 | 0 | 0 | 114.1 | A17 N36 F40 R63 | A17-D38 HydrophobicContact CB-CB 4.27Å; A17-D38 WeakPolarHBondContact CB-OD2 3.28Å; N36-D38 PolarHBondContact O-N 3.16Å; N36-D38 VanDerWaalsContact O-N 3.15Å; D38-F40 PolarHBondContact O-N 2.72Å; D38-R63 IonicContact OD1-NH1 3.54Å |
| 39 | C | 90.1 | Very high | 89 | Confident | 61 Ų | 61 | 90.1 Ų | 90.1 | 41% | 0.412 | 46% | 0.456 | S | S | . | . | G | 310 helix | trans | -73.1 | -10.8 | 173.5 | 74.3 | 0 | 0 | 0 | 0 | 113.5 | R33 N36 P37 Q41 | R33-C39 WeakPolarHBondContact CG-SG 3.13Å; R33-C39 PolarHBondContact O-SG 3.16Å; N36-C39 PolarHBondContact O-N 3.33Å; N36-C39 PolarHBondContact O-SG 2.92Å; P37-C39 PolarHBondContact O-N 3.11Å; C39-Q41 PolarHBondContact O-N 3.35Å |
| 40 | F | 89.9 | Confident | 88.7 | Confident | 47 Ų | 47 | 87.7 Ų | 87.7 | 21% | 0.206 | 45% | 0.447 | C | S | . | . | trans | -80.7 | 109.4 | 173.4 | -71.1 | -82.5 | 0 | 0 | 0 | 110.6 | R33 F34 P37 D38 Y43 P64 M69 | R33-F40 HydrophobicContact CG-CE1 4.11Å; R33-F40 HydrophobicContact CG-CE2 3.96Å; R33-F40 HydrophobicContact CG-CZ 3.73Å; R33-F40 VanDerWaalsContact NE-CE1 3.34Å; R33-F40 WeakPolarHBondContact O-CE2 3.28Å; F34-F40 HydrophobicContact CD1-CE2 4.45Å; F34-F40 HydrophobicContact CD1-CZ 4.01Å; F34-F40 HydrophobicContact CE1-CZ 4.04Å; P37-F40 WeakPolarHBondContact O-CD2 3.35Å; P37-F40 PolarHBondContact O-N 2.98Å; P37-F40 VanDerWaalsContact O-N 3.17Å; D38-F40 PolarHBondContact O-N 2.72Å; F40-Y43 HydrophobicContact CB-CD2 4.31Å; F40-Y43 HydrophobicContact CB-CE2 4.03Å; F40-P64 HydrophobicContact CB-CG 3.63Å; F40-P64 HydrophobicContact CD2-CG 4.05Å; F40-P64 HydrophobicContact CG-CG 3.99Å; F40-M69 HydrophobicContact CD2-CE 3.84Å; F40-M69 HydrophobicContact CD2-SD 4.42Å; F40-M69 HydrophobicContact CE2-CE 3.49Å; F40-M69 VanDerWaalsContact CE2-CE 3.49Å; F40-M69 HydrophobicContact CE2-SD 3.61Å; F40-M69 HydrophobicContact CZ-CE 4.22Å; F40-M69 HydrophobicContact CZ-SD 4.29Å | ||
| 41 | Q | 89 | Confident | 88.6 | Confident | 177 Ų | 177 | 95.3 Ų | 95.3 | 83% | 0.827 | 48% | 0.48 | S | S | * | . | trans | -98.9 | 161.6 | -178.2 | -62.9 | 174.7 | -11.8 | 0 | 0 | 112 | C39 | C39-Q41 PolarHBondContact O-N 3.35Š| ||
| 42 | G | 89 | Confident | 88.3 | Confident | 62 Ų | 62 | 101.6 Ų | 101.6 | 64% | 0.639 | 50% | 0.499 | S | S | * | . | S | Bend | trans | 96.2 | -10.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | T45 | G42-T45 WeakPolarHBondContact CA-OG1 3.49Å; G42-T45 PolarHBondContact O-OG1 3.21Å |
| 43 | Y | 89.6 | Confident | 88.1 | Confident | 99 Ų | 99 | 99.6 Ų | 99.6 | 39% | 0.388 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -79.6 | 150.1 | 171.3 | -62.1 | -86.1 | 0 | 0 | 0 | 111.7 | F40 T45 G60 K62 P64 | F40-Y43 HydrophobicContact CB-CD2 4.31Å; F40-Y43 HydrophobicContact CB-CE2 4.03Å; Y43-T45 PolarHBondContact O-N 3.43Å; Y43-T45 PolarHBondContact O-OG1 2.84Å; Y43-G60 WeakPolarHBondContact CA-O 3.5Å; Y43-K62 WeakPolarHBondContact CD1-O 3.41Å; Y43-P64 HydrophobicContact CD2-CG 4.31Å; Y43-P64 HydrophobicContact CE2-CG 4.23Å |
| 44 | S | 79.1 | Confident | 88 | Confident | 69 Ų | 69 | 96.6 Ų | 96.6 | 48% | 0.483 | 49% | 0.49 | S | S | . | . | S | Bend | trans | 59.4 | 7.6 | 174.8 | -52.9 | 0 | 0 | 0 | 0 | 115.9 | K46 G60 S61 R63 | S44-K46 PolarHBondContact O-N 3.3Å; S44-G60 PolarHBondContact N-O 2.92Å; S44-S61 VanDerWaalsContact CA-O 3.22Å; S44-S61 WeakPolarHBondContact CA-O 3.21Å; S44-S61 WeakPolarHBondContact CB-O 2.94Å; S44-S61 PolarHBondContact N-O 3.4Å; S44-S61 PolarHBondContact OG-O 3.17Å; S44-R63 PolarHBondContact OG-N 3.06Å |
| 45 | T | 71.4 | Confident | 87.8 | Confident | 102 Ų | 102 | 100 Ų | 100 | 63% | 0.626 | 52% | 0.517 | S | S | * | . | trans | -76.2 | -24.7 | -169.6 | -27.7 | 0 | 0 | 0 | 0 | 114.1 | G42 Y43 | G42-T45 WeakPolarHBondContact CA-OG1 3.49Å; G42-T45 PolarHBondContact O-OG1 3.21Å; Y43-T45 PolarHBondContact O-N 3.43Å; Y43-T45 PolarHBondContact O-OG1 2.84Å | ||
| 46 | K | 79.9 | Confident | 87.6 | Confident | 178 Ų | 178 | 102.9 Ų | 102.9 | 77% | 0.774 | 54% | 0.54 | S | S | * | . | trans | -100.5 | 105.1 | -170.7 | -65.3 | -170.4 | -179.2 | -176.2 | 0 | 111.3 | S44 N48 | S44-K46 PolarHBondContact O-N 3.3Å; K46-N48 PolarHBondContact O-N 2.85Å; K46-N48 VanDerWaalsContact O-N 3.14Å | ||
| 47 | K | 80 | Confident | 87.3 | Confident | 212 Ų | 212 | 103.4 Ų | 103.4 | 92% | 0.922 | 54% | 0.541 | S | S | * | . | trans | -73.8 | 97.8 | 168 | -169 | 176.9 | -177.3 | 178.8 | 0 | 108.8 | ||||
| 48 | N | 82.8 | Confident | 87.2 | Confident | 65 Ų | 65 | 109 Ų | 109 | 35% | 0.348 | 57% | 0.569 | S | S | . | * | trans | -85.8 | 153.3 | 175.2 | -60.9 | -44.2 | 0 | 0 | 0 | 110.4 | K46 Q57 | K46-N48 PolarHBondContact O-N 2.85Å; K46-N48 VanDerWaalsContact O-N 3.14Å; N48-Q57 VanDerWaalsContact CG-NE2 3.34Å; N48-Q57 PolarHBondContact ND2-NE2 3.35Å | ||
| 49 | H | 89.2 | Confident | 87.2 | Confident | 102 Ų | 102 | 115.3 Ų | 115.3 | 47% | 0.472 | 59% | 0.589 | S | S | . | * | trans | -66.2 | 133.1 | 175.2 | -174.2 | -98.1 | 0 | 0 | 0 | 110.1 | F51 Y52 | H49-F51 AromaticContact CE1-CD2 3.51Å; H49-F51 PolarHBondContact ND1-N 2.83Å; H49-F51 PolarHBondContact O-N 3.05Å; H49-F51 VanDerWaalsContact O-N 3.1Å; H49-Y52 HydrophobicContact CB-CD2 3.79Å; H49-Y52 AromaticContact CE1-CD2 3.99Å; H49-Y52 AromaticContact CE1-CE2 3.89Å; H49-Y52 AromaticContact CG-CD2 3.66Å; H49-Y52 AromaticContact ND1-CD2 3.2Å; H49-Y52 WeakPolarHBondContact ND1-CD2 3.45Å; H49-Y52 AromaticContact ND1-CE2 3.56Å; H49-Y52 CarbonylContact O-C 3.56Å; H49-Y52 PolarHBondContact O-N 3.07Å | ||
| 50 | P | 88.3 | Confident | 87.2 | Confident | 91 Ų | 91 | 113.8 Ų | 113.8 | 59% | 0.591 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.8 | -33.1 | -175 | -28.7 | 35.6 | 0 | 0 | 0 | 114.7 | Q53 | P50-Q53 PolarHBondContact O-NE2 3.43Å; P50-Q53 VanDerWaalsContact O-NE2 3.16Å |
| 51 | F | 92.3 | Very high | 87.2 | Confident | 178 Ų | 178 | 113.9 Ų | 113.9 | 78% | 0.781 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | -9.9 | 178.4 | -67.1 | -81.9 | 0 | 0 | 0 | 114.8 | H49 | H49-F51 AromaticContact CE1-CD2 3.51Å; H49-F51 PolarHBondContact ND1-N 2.83Å; H49-F51 PolarHBondContact O-N 3.05Å; H49-F51 VanDerWaalsContact O-N 3.1Å |
| 52 | Y | 89.7 | Confident | 87.3 | Confident | 175 Ų | 175 | 113.4 Ų | 113.4 | 69% | 0.686 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -119.5 | 63.1 | -180 | -57.1 | -62.3 | 0 | 0 | 0 | 109.7 | H49 | H49-Y52 HydrophobicContact CB-CD2 3.79Å; H49-Y52 AromaticContact CE1-CD2 3.99Å; H49-Y52 AromaticContact CE1-CE2 3.89Å; H49-Y52 AromaticContact CG-CD2 3.66Å; H49-Y52 AromaticContact ND1-CD2 3.2Å; H49-Y52 WeakPolarHBondContact ND1-CD2 3.45Å; H49-Y52 AromaticContact ND1-CE2 3.56Å; H49-Y52 CarbonylContact O-C 3.56Å; H49-Y52 PolarHBondContact O-N 3.07Å |
| 53 | Q | 90 | Very high | 87.4 | Confident | 138 Ų | 138 | 117.4 Ų | 117.4 | 65% | 0.645 | 58% | 0.581 | S | S | * | * | trans | -102.7 | 138.4 | 176.2 | -65 | -175.1 | 35.6 | 0 | 0 | 111.4 | P50 | P50-Q53 PolarHBondContact O-NE2 3.43Å; P50-Q53 VanDerWaalsContact O-NE2 3.16Å | ||
| 54 | T | 90.3 | Very high | 87.5 | Confident | 78 Ų | 78 | 113.5 Ų | 113.5 | 48% | 0.479 | 57% | 0.568 | S | S | . | * | trans | -116.5 | 154.3 | 172.4 | 72.2 | 0 | 0 | 0 | 0 | 110.2 | S56 Q57 | T54-S56 PolarHBondContact O-N 2.86Å; T54-Q57 WeakPolarHBondContact O-CB 3.39Å; T54-Q57 PolarHBondContact O-N 2.89Å; T54-Q57 VanDerWaalsContact O-N 3.09Å; T54-Q57 WeakPolarHBondContact OG1-CG 3.48Å | ||
| 55 | S | 91.1 | Very high | 88.2 | Confident | 97 Ų | 97 | 112.5 Ų | 112.5 | 68% | 0.678 | 56% | 0.559 | S | S | * | * | G | 310 helix | trans | -60.1 | -34.5 | 177.1 | 52.3 | 0 | 0 | 0 | 0 | 112.5 | Q57 I58 | S55-Q57 PolarHBondContact O-N 2.99Å; S55-I58 VanDerWaalsContact O-CB 3.31Å; S55-I58 WeakPolarHBondContact O-CB 3.33Å; S55-I58 WeakPolarHBondContact O-CG1 3.09Å; S55-I58 PolarHBondContact O-N 3.02Å; S55-I58 VanDerWaalsContact O-N 3.13Å |
| 56 | S | 91.3 | Very high | 89.3 | Confident | 94 Ų | 94 | 107.8 Ų | 107.8 | 66% | 0.657 | 53% | 0.53 | S | S | * | . | G | 310 helix | trans | -63.6 | -25.3 | 177 | -52.7 | 0 | 0 | 0 | 0 | 113.4 | T54 I58 Y59 | T54-S56 PolarHBondContact O-N 2.86Å; S56-I58 PolarHBondContact O-N 2.87Å; S56-Y59 PolarHBondContact O-N 3.31Å |
| 57 | Q | 88.8 | Confident | 90 | Very high | 61 Ų | 61 | 104.9 Ų | 104.9 | 29% | 0.285 | 52% | 0.519 | S | S | . | . | G | 310 helix | trans | -72 | -15.9 | 176.7 | -70.8 | 166.6 | -19.8 | 0 | 0 | 113.1 | N48 T54 S55 Y59 S61 | N48-Q57 VanDerWaalsContact CG-NE2 3.34Å; N48-Q57 PolarHBondContact ND2-NE2 3.35Å; T54-Q57 WeakPolarHBondContact O-CB 3.39Å; T54-Q57 PolarHBondContact O-N 2.89Å; T54-Q57 VanDerWaalsContact O-N 3.09Å; T54-Q57 WeakPolarHBondContact OG1-CG 3.48Å; S55-Q57 PolarHBondContact O-N 2.99Å; Q57-Y59 VanDerWaalsContact C-N 3.27Å; Q57-Y59 PolarHBondContact O-N 3.29Å; Q57-S61 WeakPolarHBondContact O-CB 3.34Å |
| 58 | I | 88.8 | Confident | 90.7 | Very high | 123 Ų | 123 | 100.7 Ų | 100.7 | 63% | 0.631 | 50% | 0.503 | S | S | * | . | G | 310 helix | trans | -65.1 | -37.2 | 175.3 | -60.1 | 170.7 | 0 | 0 | 0 | 109.8 | S55 S56 G60 S61 | S55-I58 VanDerWaalsContact O-CB 3.31Å; S55-I58 WeakPolarHBondContact O-CB 3.33Å; S55-I58 WeakPolarHBondContact O-CG1 3.09Å; S55-I58 PolarHBondContact O-N 3.02Å; S55-I58 VanDerWaalsContact O-N 3.13Å; S56-I58 PolarHBondContact O-N 2.87Å; I58-G60 PolarHBondContact O-N 3.34Å; I58-S61 WeakPolarHBondContact O-CB 3.22Å; I58-S61 PolarHBondContact O-N 2.94Å; I58-S61 PolarHBondContact O-OG 2.86Å |
| 59 | Y | 91.4 | Very high | 91.3 | Very high | 212 Ų | 212 | 98.8 Ų | 98.8 | 83% | 0.831 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | 129.7 | 176.5 | -176.6 | -102.1 | 0 | 0 | 0 | 111 | S56 Q57 S61 | S56-Y59 PolarHBondContact O-N 3.31Å; Q57-Y59 VanDerWaalsContact C-N 3.27Å; Q57-Y59 PolarHBondContact O-N 3.29Å; Y59-S61 PolarHBondContact O-N 3.48Å |
| 60 | G | 89.8 | Confident | 91.6 | Very high | 29 Ų | 29 | 96.3 Ų | 96.3 | 30% | 0.299 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.6 | 1.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115 | Y43 S44 I58 K62 | Y43-G60 WeakPolarHBondContact CA-O 3.5Å; S44-G60 PolarHBondContact N-O 2.92Å; I58-G60 PolarHBondContact O-N 3.34Å; G60-K62 VanDerWaalsContact C-N 3.29Å; G60-K62 PolarHBondContact O-N 3.33Å |
| 61 | S | 89.5 | Confident | 91.9 | Very high | 50 Ų | 50 | 94.8 Ų | 94.8 | 35% | 0.35 | 47% | 0.474 | S | S | . | . | trans | -69.8 | -24 | 178.6 | 63.1 | 0 | 0 | 0 | 0 | 113.8 | S44 Q57 I58 Y59 | S44-S61 VanDerWaalsContact CA-O 3.22Å; S44-S61 WeakPolarHBondContact CA-O 3.21Å; S44-S61 WeakPolarHBondContact CB-O 2.94Å; S44-S61 PolarHBondContact N-O 3.4Å; S44-S61 PolarHBondContact OG-O 3.17Å; Q57-S61 WeakPolarHBondContact O-CB 3.34Å; I58-S61 WeakPolarHBondContact O-CB 3.22Å; I58-S61 PolarHBondContact O-N 2.94Å; I58-S61 PolarHBondContact O-OG 2.86Å; Y59-S61 PolarHBondContact O-N 3.48Å | ||
| 62 | K | 90.4 | Very high | 92.1 | Very high | 166 Ų | 166 | 89.7 Ų | 89.7 | 72% | 0.722 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -107.9 | 132.4 | -177.8 | -63.3 | -177.6 | -179.4 | -178.9 | 0 | 110.5 | Y43 G60 | Y43-K62 WeakPolarHBondContact CD1-O 3.41Å; G60-K62 VanDerWaalsContact C-N 3.29Å; G60-K62 PolarHBondContact O-N 3.33Å |
| 63 | R | 91.4 | Very high | 92.4 | Very high | 147 Ų | 147 | 86.3 Ų | 86.3 | 56% | 0.555 | 45% | 0.447 | S | S | * | . | trans | -70 | 144.6 | 172 | 68.3 | -177.8 | 175 | 107 | -0.6 | 111 | D38 S44 | D38-R63 IonicContact OD1-NH1 3.54Å; S44-R63 PolarHBondContact OG-N 3.06Å | ||
| 64 | P | 93 | Very high | 92.6 | Very high | 17 Ų | 17 | 87 Ų | 87 | 11% | 0.11 | 45% | 0.454 | C | S | . | . | trans | -69.7 | 149 | 174.8 | 30.2 | -34.8 | 0 | 0 | 0 | 111.3 | F40 Y43 E68 M69 | F40-P64 HydrophobicContact CB-CG 3.63Å; F40-P64 HydrophobicContact CD2-CG 4.05Å; F40-P64 HydrophobicContact CG-CG 3.99Å; Y43-P64 HydrophobicContact CD2-CG 4.31Å; Y43-P64 HydrophobicContact CE2-CG 4.23Å; P64-E68 VanDerWaalsContact CA-OE2 3.26Å; P64-E68 WeakPolarHBondContact CA-OE2 3.26Å; P64-M69 HydrophobicContact CB-CE 3.51Å; P64-M69 HydrophobicContact CG-CE 4.1Å | ||
| 65 | T | 92.8 | Very high | 92.6 | Very high | 47 Ų | 47 | 85.4 Ų | 85.4 | 29% | 0.288 | 45% | 0.454 | S | S | . | . | trans | -122.2 | 169.3 | -177.2 | 63.6 | 0 | 0 | 0 | 0 | 111.5 | H67 E68 M69 | T65-H67 PolarHBondContact O-N 3.21Å; T65-H67 VanDerWaalsContact O-N 3.12Å; T65-E68 PolarHBondContact N-OE2 3.02Å; T65-E68 PolarHBondContact O-N 2.8Å; T65-E68 VanDerWaalsContact O-N 3.09Å; T65-E68 PolarHBondContact OG1-OE2 3.4Å; T65-M69 PolarHBondContact O-N 2.84Å | ||
| 66 | V | 95.3 | Very high | 92.5 | Very high | 4 Ų | 4 | 86 Ų | 86 | 2% | 0.024 | 46% | 0.458 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -26 | 178.4 | -61.2 | 0 | 0 | 0 | 0 | 113.6 | M18 T20 V23 P37 E68 | M18-V66 HydrophobicContact CB-CG1 4.33Å; M18-V66 HydrophobicContact CE-CB 4.22Å; M18-V66 HydrophobicContact CE-CG1 3.88Å; M18-V66 HydrophobicContact CE-CG2 3.28Å; M18-V66 HydrophobicContact CG-CG1 4.13Å; M18-V66 WeakPolarHBondContact O-CG1 3.37Å; M18-V66 HydrophobicContact SD-CG2 4.4Å; T20-V66 HydrophobicContact CG2-CB 4.08Å; T20-V66 HydrophobicContact CG2-CG1 4.18Å; V23-V66 HydrophobicContact CB-CG2 4.46Å; V23-V66 HydrophobicContact CG2-CG2 4.08Å; P37-V66 HydrophobicContact CG-CG1 3.75Å; V66-E68 VanDerWaalsContact C-N 3.31Å |
| 67 | H | 94.7 | Very high | 92.5 | Very high | 117 Ų | 117 | 89.5 Ų | 89.5 | 54% | 0.542 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | -17.2 | -178.1 | -54.1 | -61 | 0 | 0 | 0 | 112.9 | Y24 T65 | Y24-H67 AromaticContact CE2-ND1 3.58Å; Y24-H67 AromaticContact CZ-ND1 3.57Å; Y24-H67 PolarHBondContact OH-ND1 2.75Å; T65-H67 PolarHBondContact O-N 3.21Å; T65-H67 VanDerWaalsContact O-N 3.12Å |
| 68 | E | 93.8 | Very high | 92.6 | Very high | 124 Ų | 124 | 93.5 Ų | 93.5 | 58% | 0.579 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | -16 | 177.2 | -65.4 | 163.6 | 130.2 | 0 | 0 | 111.9 | P64 T65 V66 | P64-E68 VanDerWaalsContact CA-OE2 3.26Å; P64-E68 WeakPolarHBondContact CA-OE2 3.26Å; T65-E68 PolarHBondContact N-OE2 3.02Å; T65-E68 PolarHBondContact O-N 2.8Å; T65-E68 VanDerWaalsContact O-N 3.09Å; T65-E68 PolarHBondContact OG1-OE2 3.4Å; V66-E68 VanDerWaalsContact C-N 3.31Å |
| 69 | M | 95 | Very high | 92.8 | Very high | 24 Ų | 24 | 94 Ų | 94 | 12% | 0.118 | 47% | 0.468 | C | S | . | . | S | Bend | trans | -73.4 | 142 | -179.5 | -73.5 | -62.7 | 127.2 | 0 | 0 | 112 | T20 F34 P37 F40 P64 T65 | T20-M69 HydrophobicContact CG2-CB 3.37Å; T20-M69 HydrophobicContact CG2-CG 3.68Å; F34-M69 HydrophobicContact CB-SD 4.35Å; F34-M69 HydrophobicContact CD1-SD 3.9Å; F34-M69 WeakPolarHBondContact O-CG 3.35Å; P37-M69 HydrophobicContact CB-CE 4.31Å; P37-M69 HydrophobicContact CB-CG 4.06Å; F40-M69 HydrophobicContact CD2-CE 3.84Å; F40-M69 HydrophobicContact CD2-SD 4.42Å; F40-M69 HydrophobicContact CE2-CE 3.49Å; F40-M69 VanDerWaalsContact CE2-CE 3.49Å; F40-M69 HydrophobicContact CE2-SD 3.61Å; F40-M69 HydrophobicContact CZ-CE 4.22Å; F40-M69 HydrophobicContact CZ-SD 4.29Å; P64-M69 HydrophobicContact CB-CE 3.51Å; P64-M69 HydrophobicContact CG-CE 4.1Å; T65-M69 PolarHBondContact O-N 2.84Å |
| 70 | P | 95.9 | Very high | 92.8 | Very high | 51 Ų | 51 | 92.2 Ų | 92.2 | 33% | 0.331 | 47% | 0.465 | S | S | . | . | trans | -73 | 143 | 177 | 31.6 | -35.3 | 0 | 0 | 0 | 111.3 | L30 F34 | L30-P70 WeakPolarHBondContact CD1-O 3.44Å; F34-P70 HydrophobicContact CB-CG 4.13Å; F34-P70 HydrophobicContact CD1-CG 3.81Å; F34-P70 HydrophobicContact CD2-CG 4.2Å; F34-P70 HydrophobicContact CE1-CG 4.24Å; F34-P70 HydrophobicContact CG-CG 3.79Å | ||
| 71 | T | 95.7 | Very high | 92.8 | Very high | 58 Ų | 58 | 92.4 Ų | 92.4 | 36% | 0.356 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -82.1 | -19.3 | 175 | 55.2 | 0 | 0 | 0 | 0 | 113.3 | V26 D27 | V26-T71 HydrophobicContact CG1-CG2 4.45Å; D27-T71 PolarHBondContact N-O 3.24Å |
| 72 | T | 96 | Very high | 93 | Very high | 72 Ų | 72 | 94.2 Ų | 94.2 | 44% | 0.442 | 47% | 0.465 | S | S | . | . | trans | -139 | 146.4 | 176.5 | 67.6 | 0 | 0 | 0 | 0 | 110.1 | D27 | D27-T72 HydrophobicContact CB-CG2 4.13Š| ||
| 73 | F | 95.2 | Very high | 93 | Very high | 104 Ų | 104 | 93.1 Ų | 93.1 | 46% | 0.456 | 46% | 0.462 | S | S | . | . | trans | -137.3 | 109.1 | 177.4 | 177.7 | -101.9 | 0 | 0 | 0 | 110.9 | L30 P31 F34 G75 | L30-F73 HydrophobicContact CD1-CB 4.03Å; P31-F73 HydrophobicContact CG-CB 4.24Å; P31-F73 HydrophobicContact CG-CD1 3.54Å; P31-F73 HydrophobicContact CG-CE1 4.22Å; P31-F73 HydrophobicContact CG-CG 4.12Å; F34-F73 HydrophobicContact CD2-CB 4.1Å; F34-F73 HydrophobicContact CD2-CD2 4.33Å; F34-F73 HydrophobicContact CD2-CG 4.15Å; F34-F73 HydrophobicContact CE2-CB 4.06Å; F34-F73 HydrophobicContact CE2-CD1 4.12Å; F34-F73 AromaticContact CE2-CD2 3.47Å; F34-F73 HydrophobicContact CE2-CD2 3.47Å; F34-F73 VanDerWaalsContact CE2-CD2 3.47Å; F34-F73 HydrophobicContact CE2-CE1 4.46Å; F34-F73 AromaticContact CE2-CE2 3.88Å; F34-F73 HydrophobicContact CE2-CE2 3.88Å; F34-F73 AromaticContact CE2-CG 3.6Å; F34-F73 HydrophobicContact CE2-CG 3.6Å; F34-F73 HydrophobicContact CE2-CZ 4.35Å; F34-F73 HydrophobicContact CZ-CD2 4.02Å; F34-F73 HydrophobicContact CZ-CE2 4.14Å; F73-G75 PolarHBondContact O-N 2.86Å | ||
| 74 | N | 93.6 | Very high | 92.9 | Very high | 151 Ų | 151 | 90.8 Ų | 90.8 | 81% | 0.807 | 46% | 0.459 | S | S | * | . | trans | -101.9 | 66.5 | -178.7 | -61.1 | -45.4 | 0 | 0 | 0 | 110.5 | ||||
| 75 | G | 90.8 | Very high | 92.7 | Very high | 46 Ų | 46 | 95.1 Ų | 95.1 | 47% | 0.474 | 48% | 0.48 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 141.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | F73 | F73-G75 PolarHBondContact O-N 2.86Š|
| 76 | S | 90.3 | Very high | 92.6 | Very high | 110 Ų | 110 | 100.1 Ų | 100.1 | 77% | 0.769 | 50% | 0.498 | S | S | * | . | P | Polyproline II helix | trans | -81.1 | 127.5 | 172.1 | -179 | 0 | 0 | 0 | 0 | 110.8 | ||
| 77 | Y | 90.1 | Very high | 92.2 | Very high | 166 Ų | 166 | 104 Ų | 104 | 65% | 0.651 | 53% | 0.525 | S | S | * | . | P | Polyproline II helix | trans | -96.5 | 116.4 | 177.9 | -172.8 | -107.5 | 0 | 0 | 0 | 110.9 | K79 | Y77-K79 HydrophobicContact CD1-CB 4.15Å; Y77-K79 HydrophobicContact CD1-CG 4.36Å; Y77-K79 HydrophobicContact CD2-CG 4.23Å; Y77-K79 HydrophobicContact CE1-CB 3.5Å; Y77-K79 VanDerWaalsContact CE1-CB 3.5Å; Y77-K79 HydrophobicContact CE1-CD 4.13Å; Y77-K79 HydrophobicContact CE1-CG 3.71Å; Y77-K79 HydrophobicContact CE2-CB 4.31Å; Y77-K79 HydrophobicContact CE2-CD 3.74Å; Y77-K79 HydrophobicContact CE2-CG 3.55Å; Y77-K79 VanDerWaalsContact CZ-CE 3.44Å; Y77-K79 WeakPolarHBondContact OH-CD 3.11Å; Y77-K79 WeakPolarHBondContact OH-CE 3.43Å; Y77-K79 PolarHBondContact OH-NZ 3.15Å |
| 78 | R | 91.6 | Very high | 91.8 | Very high | 146 Ų | 146 | 101 Ų | 101 | 55% | 0.551 | 53% | 0.525 | S | S | * | . | trans | -103.8 | 5.2 | -172.5 | -65.5 | 178.9 | 65 | -165.5 | 0.4 | 114.8 | F80 S81 E82 | R78-F80 VanDerWaalsContact C-N 3.27Å; R78-F80 PolarHBondContact O-N 2.97Å; R78-S81 PolarHBondContact O-N 3.22Å; R78-S81 PolarHBondContact O-OG 3.46Å; R78-E82 WeakPolarHBondContact O-CB 3.37Å; R78-E82 PolarHBondContact O-N 3.17Å | ||
| 79 | K | 91.7 | Very high | 91.7 | Very high | 132 Ų | 132 | 102 Ų | 102 | 57% | 0.574 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -58.8 | -35.3 | -172.3 | -66.6 | -156.7 | -158.4 | 148.4 | 0 | 113.8 | Y77 E82 | Y77-K79 HydrophobicContact CD1-CB 4.15Å; Y77-K79 HydrophobicContact CD1-CG 4.36Å; Y77-K79 HydrophobicContact CD2-CG 4.23Å; Y77-K79 HydrophobicContact CE1-CB 3.5Å; Y77-K79 VanDerWaalsContact CE1-CB 3.5Å; Y77-K79 HydrophobicContact CE1-CD 4.13Å; Y77-K79 HydrophobicContact CE1-CG 3.71Å; Y77-K79 HydrophobicContact CE2-CB 4.31Å; Y77-K79 HydrophobicContact CE2-CD 3.74Å; Y77-K79 HydrophobicContact CE2-CG 3.55Å; Y77-K79 VanDerWaalsContact CZ-CE 3.44Å; Y77-K79 WeakPolarHBondContact OH-CD 3.11Å; Y77-K79 WeakPolarHBondContact OH-CE 3.43Å; Y77-K79 PolarHBondContact OH-NZ 3.15Å; K79-E82 PolarHBondContact O-N 3.18Å |
| 80 | F | 91.6 | Very high | 91.5 | Very high | 175 Ų | 175 | 109.5 Ų | 109.5 | 77% | 0.768 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -61 | -49.2 | 174.5 | 170.2 | -100.7 | 0 | 0 | 0 | 111.8 | R78 M84 | R78-F80 VanDerWaalsContact C-N 3.27Å; R78-F80 PolarHBondContact O-N 2.97Å; F80-M84 HydrophobicContact CD1-CE 4.04Å; F80-M84 HydrophobicContact CE1-CE 3.51Å; F80-M84 HydrophobicContact CZ-CE 4.03Å |
| 81 | S | 91.3 | Very high | 91.3 | Very high | 33 Ų | 33 | 115.3 Ų | 115.3 | 23% | 0.231 | 58% | 0.58 | C | S | . | * | H | α-helix | trans | -76.4 | -20.3 | -178.9 | 61.5 | 0 | 0 | 0 | 0 | 114.1 | R78 H83 M84 L85 | R78-S81 PolarHBondContact O-N 3.22Å; R78-S81 PolarHBondContact O-OG 3.46Å; S81-H83 VanDerWaalsContact C-N 3.3Å; S81-H83 PolarHBondContact O-N 3.47Å; S81-M84 PolarHBondContact O-N 3.12Å; S81-L85 WeakPolarHBondContact O-CD1 3.22Å; S81-L85 PolarHBondContact O-N 2.97Å |
| 82 | E | 93.4 | Very high | 91.2 | Very high | 89 Ų | 89 | 118.5 Ų | 118.5 | 42% | 0.416 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -60.3 | -40 | -172.3 | -167 | -168.9 | 144.4 | 0 | 0 | 112.2 | R78 K79 M84 L85 K86 | R78-E82 WeakPolarHBondContact O-CB 3.37Å; R78-E82 PolarHBondContact O-N 3.17Å; K79-E82 PolarHBondContact O-N 3.18Å; E82-M84 VanDerWaalsContact C-N 3.34Å; E82-L85 PolarHBondContact O-N 3.32Å; E82-K86 PolarHBondContact O-N 3.41Å; E82-K86 WeakPolarHBondContact OE1-CE 3.42Å; E82-K86 IonicContact OE1-NZ 2.84Å; E82-K86 PolarHBondContact OE1-NZ 2.77Å |
| 83 | H | 90.5 | Very high | 91 | Very high | 143 Ų | 143 | 122.1 Ų | 122.1 | 66% | 0.662 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -62.5 | -42.8 | 175.7 | -179.3 | -87.5 | 0 | 0 | 0 | 111.6 | S81 L85 K86 S87 | S81-H83 VanDerWaalsContact C-N 3.3Å; S81-H83 PolarHBondContact O-N 3.47Å; H83-L85 VanDerWaalsContact C-N 3.34Å; H83-L85 PolarHBondContact O-N 2.85Å; H83-K86 PolarHBondContact O-N 3.09Å; H83-S87 PolarHBondContact O-N 3.36Å |
| 84 | M | 89.4 | Confident | 90.9 | Very high | 98 Ų | 98 | 119.7 Ų | 119.7 | 48% | 0.483 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -68.3 | -32.9 | 178.4 | -63.1 | -172.8 | -70.2 | 0 | 0 | 112.6 | F80 S81 E82 K86 S87 | F80-M84 HydrophobicContact CD1-CE 4.04Å; F80-M84 HydrophobicContact CE1-CE 3.51Å; F80-M84 HydrophobicContact CZ-CE 4.03Å; S81-M84 PolarHBondContact O-N 3.12Å; E82-M84 VanDerWaalsContact C-N 3.34Å; M84-K86 VanDerWaalsContact C-N 3.26Å; M84-K86 PolarHBondContact O-N 2.99Å; M84-S87 WeakPolarHBondContact CA-OG 3.36Å; M84-S87 PolarHBondContact O-N 2.92Å; M84-S87 PolarHBondContact O-OG 3.06Å |
| 85 | L | 87.8 | Confident | 90.8 | Very high | 107 Ų | 107 | 121.4 Ų | 121.4 | 56% | 0.56 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -62.9 | -33.5 | 173.6 | -96.9 | 111.2 | 0 | 0 | 0 | 112.2 | S81 E82 H83 | S81-L85 WeakPolarHBondContact O-CD1 3.22Å; S81-L85 PolarHBondContact O-N 2.97Å; E82-L85 PolarHBondContact O-N 3.32Å; H83-L85 VanDerWaalsContact C-N 3.34Å; H83-L85 PolarHBondContact O-N 2.85Å |
| 86 | K | 90.2 | Very high | 90.6 | Very high | 153 Ų | 153 | 127.1 Ų | 127.1 | 67% | 0.665 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -72.8 | -30.2 | 178.7 | -68.7 | 173.1 | -172.9 | 166.8 | 0 | 112.6 | E82 H83 M84 G88 | E82-K86 PolarHBondContact O-N 3.41Å; E82-K86 WeakPolarHBondContact OE1-CE 3.42Å; E82-K86 IonicContact OE1-NZ 2.84Å; E82-K86 PolarHBondContact OE1-NZ 2.77Å; H83-K86 PolarHBondContact O-N 3.09Å; M84-K86 VanDerWaalsContact C-N 3.26Å; M84-K86 PolarHBondContact O-N 2.99Å; K86-G88 VanDerWaalsContact C-N 3.34Å; K86-G88 PolarHBondContact O-N 3Å |
| 87 | S | 86.9 | Confident | 90.4 | Very high | 85 Ų | 85 | 127.7 Ų | 127.7 | 59% | 0.594 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -79.2 | -8.7 | -176.7 | 52.8 | 0 | 0 | 0 | 0 | 115.1 | H83 M84 | H83-S87 PolarHBondContact O-N 3.36Å; M84-S87 WeakPolarHBondContact CA-OG 3.36Å; M84-S87 PolarHBondContact O-N 2.92Å; M84-S87 PolarHBondContact O-OG 3.06Å |
| 88 | G | 87.7 | Confident | 90.1 | Very high | 53 Ų | 53 | 124.6 Ų | 124.6 | 55% | 0.546 | 64% | 0.638 | S | S | . | * | trans | 72.3 | -158.1 | 179 | 0 | 0 | 0 | 0 | 0 | 113.8 | K86 | K86-G88 VanDerWaalsContact C-N 3.34Å; K86-G88 PolarHBondContact O-N 3Å | ||
| 89 | M | 91.6 | Very high | 89.5 | Confident | 147 Ų | 147 | 124.8 Ų | 124.8 | 72% | 0.724 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -76.8 | 131.2 | -175.6 | -57.1 | -168.9 | -37.8 | 0 | 0 | 111.6 | ||
| 90 | F | 90.8 | Very high | 88.6 | Confident | 180 Ų | 180 | 123.8 Ų | 123.8 | 79% | 0.789 | 65% | 0.645 | S | S | * | * | trans | -58.8 | 139.3 | 173.7 | 176 | -102.1 | 0 | 0 | 0 | 111.5 | D92 | F90-D92 HydrophobicContact CE1-CB 4.1Å; F90-D92 HydrophobicContact CZ-CB 4.32Å | ||
| 91 | R | 91.2 | Very high | 87.5 | Confident | 174 Ų | 174 | 124.6 Ų | 124.6 | 66% | 0.657 | 65% | 0.649 | S | S | * | * | trans | -129.6 | 132 | 171.8 | -63.4 | -65.5 | -175.3 | 172.9 | 1 | 108.3 | ||||
| 92 | D | 93.2 | Very high | 86.4 | Confident | 124 Ų | 124 | 124.2 Ų | 124.2 | 66% | 0.663 | 65% | 0.646 | S | S | * | * | trans | -85.5 | 121.3 | 170.7 | -171.3 | 3.2 | 0 | 0 | 0 | 109.3 | F90 G94 | F90-D92 HydrophobicContact CE1-CB 4.1Å; F90-D92 HydrophobicContact CZ-CB 4.32Å; D92-G94 PolarHBondContact OD1-N 3.08Å | ||
| 93 | N | 91.6 | Very high | 85 | Confident | 148 Ų | 148 | 130.4 Ų | 130.4 | 79% | 0.791 | 67% | 0.671 | S | S | * | * | trans | -121.1 | 15.5 | 176 | -62.4 | -42.5 | 0 | 0 | 0 | 111.3 | ||||
| 94 | G | 93.3 | Very high | 83.6 | Confident | 53 Ų | 53 | 130.5 Ų | 130.5 | 55% | 0.546 | 68% | 0.675 | S | S | . | * | trans | -77.9 | 150.8 | 179 | 0 | 0 | 0 | 0 | 0 | 112.9 | D92 | D92-G94 PolarHBondContact OD1-N 3.08Š| ||
| 95 | F | 91.3 | Very high | 82.1 | Confident | 187 Ų | 187 | 127.8 Ų | 127.8 | 82% | 0.82 | 66% | 0.664 | S | S | * | * | trans | -89.3 | 144.6 | 167.9 | -67.6 | -72.4 | 0 | 0 | 0 | 110.6 | T97 | F95-T97 HydrophobicContact CB-CG2 4.27Å; F95-T97 PolarHBondContact O-N 3.21Å; F95-T97 VanDerWaalsContact O-N 3.11Å | ||
| 96 | N | 87.7 | Confident | 80.6 | Confident | 166 Ų | 166 | 124.8 Ų | 124.8 | 89% | 0.888 | 66% | 0.659 | S | S | * | * | trans | -73.1 | 101.9 | 171.5 | -72.8 | -29.3 | 0 | 0 | 0 | 110 | ||||
| 97 | T | 85.8 | Confident | 78.9 | Confident | 122 Ų | 122 | 126.6 Ų | 126.6 | 75% | 0.748 | 67% | 0.669 | S | S | * | * | trans | -111.1 | 8.6 | -178.7 | 57.8 | 0 | 0 | 0 | 0 | 113.5 | F95 I99 | F95-T97 HydrophobicContact CB-CG2 4.27Å; F95-T97 PolarHBondContact O-N 3.21Å; F95-T97 VanDerWaalsContact O-N 3.11Å; T97-I99 PolarHBondContact O-N 2.63Å | ||
| 98 | S | 83.6 | Confident | 77.5 | Confident | 102 Ų | 102 | 129.4 Ų | 129.4 | 71% | 0.713 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 122.8 | 177.2 | 55.9 | 0 | 0 | 0 | 0 | 110.2 | ||
| 99 | I | 79.8 | Confident | 76.1 | Confident | 150 Ų | 150 | 130 Ų | 130 | 77% | 0.769 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 137.5 | 166.5 | -60.6 | 171.7 | 0 | 0 | 0 | 107.7 | T97 K101 | T97-I99 PolarHBondContact O-N 2.63Å; I99-K101 PolarHBondContact O-N 3.48Å |
| 100 | E | 72.8 | Confident | 74.5 | Confident | 111 Ų | 111 | 129.6 Ų | 129.6 | 52% | 0.519 | 67% | 0.67 | S | S | . | * | P | Polyproline II helix | trans | -53.2 | 126.8 | 176.9 | -171.2 | -168.3 | 158.6 | 0 | 0 | 110.6 | F119 | E100-F119 VanDerWaalsContact OE1-CE1 3.25Å; E100-F119 WeakPolarHBondContact OE1-CE1 3.37Å; E100-F119 WeakPolarHBondContact OE1-CZ 3.31Å |
| 101 | K | 67.8 | Low | 72.8 | Confident | 192 Ų | 192 | 125.8 Ų | 125.8 | 84% | 0.835 | 66% | 0.663 | S | S | * | * | trans | -105.3 | 51.6 | 179.1 | -58.4 | -177.2 | -174.8 | 179.1 | 0 | 110.7 | I99 K103 | I99-K101 PolarHBondContact O-N 3.48Å; K101-K103 PolarHBondContact O-N 3.17Å | ||
| 102 | S | 68.7 | Low | 71.2 | Confident | 25 Ų | 25 | 123.4 Ų | 123.4 | 18% | 0.175 | 66% | 0.661 | C | S | . | * | trans | -57.4 | 130.7 | 171.6 | 161.2 | 0 | 0 | 0 | 0 | 108.8 | I104 T105 | S102-I104 PolarHBondContact O-N 2.89Å; S102-I104 PolarHBondContact OG-N 3.23Å; S102-I104 VanDerWaalsContact OG-N 3.16Å; S102-T105 WeakPolarHBondContact CB-OG1 3.41Å; S102-T105 CarbonylContact O-C 3.53Å; S102-T105 PolarHBondContact O-N 3.42Å; S102-T105 PolarHBondContact OG-N 2.66Å; S102-T105 VanDerWaalsContact OG-N 3.12Å; S102-T105 PolarHBondContact OG-OG1 2.97Å | ||
| 103 | K | 63.6 | Low | 69.3 | Low | 218 Ų | 218 | 125.3 Ų | 125.3 | 95% | 0.948 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -63.1 | -21.1 | 174.8 | -70.3 | -174.9 | -179.2 | -179.8 | 0 | 112.3 | K101 | K101-K103 PolarHBondContact O-N 3.17Š|
| 104 | I | 61.4 | Low | 67.3 | Low | 145 Ų | 145 | 124.7 Ų | 124.7 | 74% | 0.744 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -88.9 | -33.3 | -177.3 | -59.6 | 161.7 | 0 | 0 | 0 | 109.9 | S102 G106 | S102-I104 PolarHBondContact O-N 2.89Å; S102-I104 PolarHBondContact OG-N 3.23Å; S102-I104 VanDerWaalsContact OG-N 3.16Å; I104-G106 PolarHBondContact O-N 3.45Å |
| 105 | T | 57.5 | Low | 65.4 | Low | 42 Ų | 42 | 125.8 Ų | 125.8 | 26% | 0.258 | 65% | 0.65 | S | S | . | * | S | Bend | trans | -101.4 | 80.6 | -176.1 | -36.7 | 0 | 0 | 0 | 0 | 108.3 | S102 T109 | S102-T105 WeakPolarHBondContact CB-OG1 3.41Å; S102-T105 CarbonylContact O-C 3.53Å; S102-T105 PolarHBondContact O-N 3.42Å; S102-T105 PolarHBondContact OG-N 2.66Å; S102-T105 VanDerWaalsContact OG-N 3.12Å; S102-T105 PolarHBondContact OG-OG1 2.97Å; T105-T109 HydrophobicContact CG2-CG2 3.94Å |
| 106 | G | 56.1 | Low | 63.6 | Low | 43 Ų | 43 | 125 Ų | 125 | 44% | 0.443 | 64% | 0.641 | S | S | . | * | trans | -66 | 170.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | I104 D108 T109 | I104-G106 PolarHBondContact O-N 3.45Å; G106-D108 PolarHBondContact O-N 3.24Å; G106-T109 PolarHBondContact N-OG1 3.24Å; G106-T109 WeakPolarHBondContact O-CB 3.4Å; G106-T109 PolarHBondContact O-N 3.43Å; G106-T109 PolarHBondContact O-OG1 3.14Å | ||
| 107 | H | 55.3 | Low | 61.9 | Low | 191 Ų | 191 | 123.7 Ų | 123.7 | 88% | 0.884 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48.3 | -27.7 | 178.6 | 170.2 | -84.9 | 0 | 0 | 0 | 114.4 | T109 | H107-T109 VanDerWaalsContact C-N 3.34Š|
| 108 | D | 56.9 | Low | 60.3 | Low | 145 Ų | 145 | 122.8 Ų | 122.8 | 78% | 0.775 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | 7.2 | -177.1 | -55.4 | -25.8 | 0 | 0 | 0 | 113.6 | G106 | G106-D108 PolarHBondContact O-N 3.24Š|
| 109 | T | 57.3 | Low | 58.8 | Low | 64 Ų | 64 | 122.6 Ų | 122.6 | 39% | 0.393 | 61% | 0.61 | S | S | . | * | trans | -101 | 105 | -179.8 | -21.7 | 0 | 0 | 0 | 0 | 108.2 | T105 G106 H107 P111 | T105-T109 HydrophobicContact CG2-CG2 3.94Å; G106-T109 PolarHBondContact N-OG1 3.24Å; G106-T109 WeakPolarHBondContact O-CB 3.4Å; G106-T109 PolarHBondContact O-N 3.43Å; G106-T109 PolarHBondContact O-OG1 3.14Å; H107-T109 VanDerWaalsContact C-N 3.34Å; T109-P111 VanDerWaalsContact O-CD 3.28Å; T109-P111 WeakPolarHBondContact O-CD 3.2Å | ||
| 110 | I | 57.9 | Low | 57.3 | Low | 140 Ų | 140 | 122.5 Ų | 122.5 | 72% | 0.718 | 61% | 0.611 | S | S | * | * | trans | -63.6 | 117.5 | 170.5 | -61.2 | 172.8 | 0 | 0 | 0 | 106.6 | M112 | I110-M112 VanDerWaalsContact C-N 3.34Å; I110-M112 PolarHBondContact O-N 3.49Å | ||
| 111 | P | 56.8 | Low | 56.3 | Low | 99 Ų | 99 | 126.6 Ų | 126.6 | 64% | 0.643 | 62% | 0.623 | S | S | * | * | trans | -69.2 | 97.6 | 176.5 | 27.5 | -30.9 | 0 | 0 | 0 | 107.3 | T109 | T109-P111 VanDerWaalsContact O-CD 3.28Å; T109-P111 WeakPolarHBondContact O-CD 3.2Å | ||
| 112 | M | 56.6 | Low | 55.3 | Low | 124 Ų | 124 | 121.4 Ų | 121.4 | 61% | 0.611 | 62% | 0.616 | S | S | * | * | trans | -65.5 | 142 | 171.8 | -74.8 | -168.1 | 59.7 | 0 | 0 | 107.7 | I110 Q114 D115 | I110-M112 VanDerWaalsContact C-N 3.34Å; I110-M112 PolarHBondContact O-N 3.49Å; M112-Q114 PolarHBondContact O-N 3.4Å; M112-D115 PolarHBondContact N-OD2 3.27Å; M112-D115 PolarHBondContact O-N 3.13Å | ||
| 113 | F | 52.6 | Low | 54.3 | Low | 164 Ų | 164 | 130.5 Ų | 130.5 | 72% | 0.719 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52 | -20.4 | -177.5 | -174.2 | -96.8 | 0 | 0 | 0 | 113.8 | ||
| 114 | Q | 51.3 | Low | 53.6 | Low | 135 Ų | 135 | 126.2 Ų | 126.2 | 63% | 0.631 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | -24.2 | 178.8 | -60.2 | -81.8 | -38.4 | 0 | 0 | 113.9 | M112 R116 | M112-Q114 PolarHBondContact O-N 3.4Å; Q114-R116 VanDerWaalsContact C-N 3.29Å; Q114-R116 PolarHBondContact O-N 3.34Å |
| 115 | D | 52.7 | Low | 52.9 | Low | 77 Ų | 77 | 125 Ų | 125 | 41% | 0.412 | 64% | 0.64 | S | S | . | * | G | 310 helix | trans | -78.8 | -12.7 | -172.1 | -65.1 | -30.6 | 0 | 0 | 0 | 113.4 | M112 I117 | M112-D115 PolarHBondContact N-OD2 3.27Å; M112-D115 PolarHBondContact O-N 3.13Å; D115-I117 PolarHBondContact O-N 3.39Å |
| 116 | R | 54.2 | Low | 52.6 | Low | 170 Ų | 170 | 125.1 Ų | 125.1 | 64% | 0.642 | 65% | 0.649 | S | S | * | * | G | 310 helix | trans | -69 | -13 | 178.8 | -70.9 | -158.9 | -77.1 | -138 | -0.6 | 114.6 | Q114 | Q114-R116 VanDerWaalsContact C-N 3.29Å; Q114-R116 PolarHBondContact O-N 3.34Å |
| 117 | I | 51.8 | Low | 52.4 | Low | 139 Ų | 139 | 130.5 Ų | 130.5 | 71% | 0.713 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -95.8 | -14.9 | -173.9 | -54.8 | -179.3 | 0 | 0 | 0 | 111.8 | D115 | D115-I117 PolarHBondContact O-N 3.39Š|
| 118 | N | 50.5 | Low | 52.1 | Low | 103 Ų | 103 | 124.3 Ų | 124.3 | 55% | 0.551 | 66% | 0.655 | S | S | * | * | trans | -109.2 | 22.9 | -166.9 | -79.7 | -22.6 | 0 | 0 | 0 | 115.8 | N120 | N118-N120 PolarHBondContact O-N 3.16Å; N118-N120 VanDerWaalsContact O-N 3.14Å | ||
| 119 | F | 52.5 | Low | 51.5 | Low | 98 Ų | 98 | 123.6 Ų | 123.6 | 43% | 0.43 | 66% | 0.659 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.4 | 2.2 | -178.7 | -71.4 | -67.5 | 0 | 0 | 0 | 115.9 | E100 | E100-F119 VanDerWaalsContact OE1-CE1 3.25Å; E100-F119 WeakPolarHBondContact OE1-CE1 3.37Å; E100-F119 WeakPolarHBondContact OE1-CZ 3.31Å |
| 120 | N | 49.3 | Very low | 51 | Low | 147 Ų | 147 | 132 Ų | 132 | 79% | 0.786 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.9 | 4.4 | -170.4 | -68.3 | -33.1 | 0 | 0 | 0 | 116.6 | N118 | N118-N120 PolarHBondContact O-N 3.16Å; N118-N120 VanDerWaalsContact O-N 3.14Å |
| 121 | Y | 50.4 | Low | 50.3 | Low | 197 Ų | 197 | 136.6 Ų | 136.6 | 77% | 0.773 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -92.2 | -2 | -178.2 | -77.7 | -75.6 | 0 | 0 | 0 | 115.7 | Y123 | Y121-Y123 PolarHBondContact O-N 3.3Š|
| 122 | A | 48.7 | Very low | 50 | Low | 84 Ų | 84 | 138.5 Ų | 138.5 | 69% | 0.694 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.1 | 2.2 | -175 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 123 | Y | 46.6 | Very low | 49.7 | Very low | 216 Ų | 216 | 139.3 Ų | 139.3 | 85% | 0.847 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.1 | 21.3 | 178.7 | -81.4 | -75.2 | 0 | 0 | 0 | 114.6 | Y121 S125 | Y121-Y123 PolarHBondContact O-N 3.3Å; Y123-S125 VanDerWaalsContact C-N 3.27Å; Y123-S125 PolarHBondContact O-N 3.09Å; Y123-S125 VanDerWaalsContact O-N 3.16Å |
| 124 | D | 48.7 | Very low | 49.5 | Very low | 128 Ų | 128 | 137.9 Ų | 137.9 | 68% | 0.684 | 72% | 0.718 | S | S | * | * | trans | -86.7 | 73.5 | 163.6 | -163.2 | 1 | 0 | 0 | 0 | 110.3 | G126 | D124-G126 PolarHBondContact O-N 2.94Å; D124-G126 PolarHBondContact OD1-N 3.28Å | ||
| 125 | S | 47.8 | Very low | 49.4 | Very low | 120 Ų | 120 | 138.1 Ų | 138.1 | 84% | 0.839 | 72% | 0.723 | S | S | * | * | trans | -85.6 | 52.6 | 169.5 | 64.5 | 0 | 0 | 0 | 0 | 110.4 | Y123 | Y123-S125 VanDerWaalsContact C-N 3.27Å; Y123-S125 PolarHBondContact O-N 3.09Å; Y123-S125 VanDerWaalsContact O-N 3.16Å | ||
| 126 | G | 50.9 | Low | 49.2 | Very low | 43 Ų | 43 | 141.9 Ų | 141.9 | 44% | 0.443 | 74% | 0.743 | S | S | . | * | trans | -164.9 | 40.6 | -165.9 | 0 | 0 | 0 | 0 | 0 | 118.8 | D124 | D124-G126 PolarHBondContact O-N 2.94Å; D124-G126 PolarHBondContact OD1-N 3.28Å | ||
| 127 | N | 51.3 | Low | 48.9 | Very low | 157 Ų | 157 | 140 Ų | 140 | 84% | 0.84 | 75% | 0.749 | S | S | * | * | trans | -164.9 | 98.7 | 148.7 | -94.6 | -33.7 | 0 | 0 | 0 | 112.6 | ||||
| 128 | G | 49.8 | Very low | 48.7 | Very low | 60 Ų | 60 | 140.1 Ų | 140.1 | 62% | 0.619 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 154.7 | 162 | 0 | 0 | 0 | 0 | 0 | 111.2 | R130 | G128-R130 PolarHBondContact O-N 3.1Š|
| 129 | P | 44.7 | Very low | 48.5 | Very low | 130 Ų | 130 | 142.9 Ų | 142.9 | 84% | 0.844 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 134.1 | -177.1 | 29.9 | -32.5 | 0 | 0 | 0 | 110.1 | ||
| 130 | R | 44.9 | Very low | 48.2 | Very low | 241 Ų | 241 | 146.7 Ų | 146.7 | 91% | 0.909 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -92.4 | 123.5 | 170.3 | -67.7 | -171.6 | 173.7 | 154.7 | 1.2 | 108.6 | G128 | G128-R130 PolarHBondContact O-N 3.1Š|
| 131 | N | 44.9 | Very low | 48.1 | Very low | 237 Ų | 237 | 146.6 Ų | 146.6 | 100% | 1.267 | 80% | 0.796 | S | S | * | * | trans | -65.4 | 0 | 167.8 | -66.2 | -36.1 | 0 | 0 | 0 | 111.3 |
Retrieved 131 of 131 residues in 139.6 ms
(Link to these results)