| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 55.2 | Low | 59.5 | Low | 238 Ų | 238 | 156 Ų | 156 | 100% | 1.172 | 80% | 0.8 | S | S | * | * | 0 | 95.8 | 0 | -77.9 | 153.5 | 177.2 | 0 | 0 | 105.2 | |||||
| 2 | N | 49.7 | Very low | 59.5 | Low | 158 Ų | 158 | 153.3 Ų | 153.3 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | trans | -101.1 | 121.9 | -162.8 | -55.1 | -2.3 | 0 | 0 | 0 | 107.9 | ||||
| 3 | N | 58.7 | Low | 59.6 | Low | 141 Ų | 141 | 149.8 Ų | 149.8 | 75% | 0.754 | 78% | 0.777 | S | S | * | * | trans | -144.1 | 76.5 | 163 | -176.7 | 13.7 | 0 | 0 | 0 | 107.5 | T5 | N3-T5 PolarHBondContact O-N 2.67Š| ||
| 4 | E | 60.4 | Low | 59.6 | Low | 189 Ų | 189 | 144.3 Ų | 144.3 | 88% | 0.883 | 75% | 0.75 | S | S | * | * | trans | -85.3 | 97 | 167.3 | -81.3 | 175.9 | 95.2 | 0 | 0 | 107.9 | S6 | E4-S6 PolarHBondContact O-N 2.8Š| ||
| 5 | T | 65.1 | Low | 60.4 | Low | 109 Ų | 109 | 147.9 Ų | 147.9 | 67% | 0.669 | 76% | 0.757 | S | S | * | * | trans | -63.1 | 115.8 | 163 | 33.7 | 0 | 0 | 0 | 0 | 108.9 | N3 E7 | N3-T5 PolarHBondContact O-N 2.67Å; T5-E7 PolarHBondContact O-N 2.98Å | ||
| 6 | S | 62.5 | Low | 61.4 | Low | 108 Ų | 108 | 144.4 Ų | 144.4 | 76% | 0.755 | 74% | 0.741 | S | S | * | * | trans | -61.8 | 102.3 | 173.4 | 41.9 | 0 | 0 | 0 | 0 | 110.8 | E4 L8 | E4-S6 PolarHBondContact O-N 2.8Å; S6-L8 PolarHBondContact O-N 2.93Å | ||
| 7 | E | 57.5 | Low | 63.1 | Low | 178 Ų | 178 | 141.6 Ų | 141.6 | 83% | 0.832 | 73% | 0.725 | S | S | * | * | trans | -65.3 | 94.4 | 171.2 | -67.3 | -176.2 | 125.1 | 0 | 0 | 109.6 | T5 E9 | T5-E7 PolarHBondContact O-N 2.98Å; E7-E9 PolarHBondContact O-N 3.26Å; E7-E9 VanDerWaalsContact O-N 3.14Å | ||
| 8 | L | 65.6 | Low | 64.8 | Low | 133 Ų | 133 | 133.9 Ų | 133.9 | 70% | 0.696 | 69% | 0.686 | S | S | * | * | trans | -76.6 | 96.2 | 163.7 | -69.7 | 174.7 | 0 | 0 | 0 | 108 | S6 N10 | S6-L8 PolarHBondContact O-N 2.93Å; L8-N10 PolarHBondContact O-N 3.03Å | ||
| 9 | E | 57.3 | Low | 66.2 | Low | 186 Ų | 186 | 134.3 Ų | 134.3 | 87% | 0.869 | 68% | 0.682 | S | S | * | * | trans | -46.9 | 102.6 | 169.6 | -72.5 | -179.5 | 107.6 | 0 | 0 | 110.8 | E7 K11 | E7-E9 PolarHBondContact O-N 3.26Å; E7-E9 VanDerWaalsContact O-N 3.14Å; E9-K11 VanDerWaalsContact C-N 3.28Å; E9-K11 PolarHBondContact O-N 3.45Å; E9-K11 VanDerWaalsContact O-N 3.09Å | ||
| 10 | N | 61.4 | Low | 67.4 | Low | 124 Ų | 124 | 133.2 Ų | 133.2 | 66% | 0.663 | 67% | 0.669 | S | S | * | * | trans | -81.6 | 81.2 | 166.1 | -76.8 | -66.3 | 0 | 0 | 0 | 108.2 | L8 | L8-N10 PolarHBondContact O-N 3.03Š| ||
| 11 | K | 61.6 | Low | 68.4 | Low | 152 Ų | 152 | 130 Ų | 130 | 66% | 0.661 | 67% | 0.669 | S | S | * | * | trans | -58.8 | 134.7 | 169 | -164.4 | 168.4 | -178.5 | -179.5 | 0 | 109 | E9 E13 | E9-K11 VanDerWaalsContact C-N 3.28Å; E9-K11 PolarHBondContact O-N 3.45Å; E9-K11 VanDerWaalsContact O-N 3.09Å; K11-E13 HydrophobicContact CB-CG 4.32Å; K11-E13 HydrophobicContact CD-CG 4.45Å; K11-E13 HydrophobicContact CG-CG 4.17Å; K11-E13 PolarHBondContact O-N 3.45Å | ||
| 12 | P | 58.7 | Low | 70.2 | Confident | 123 Ų | 123 | 121.7 Ų | 121.7 | 80% | 0.799 | 63% | 0.634 | S | S | * | * | trans | -76.2 | 68.4 | -176.3 | 31.5 | -35.4 | 0 | 0 | 0 | 111.1 | N14 | P12-N14 VanDerWaalsContact C-N 3.26Å; P12-N14 PolarHBondContact O-N 3.32Å | ||
| 13 | E | 61 | Low | 72.1 | Confident | 108 Ų | 108 | 117 Ų | 117 | 51% | 0.505 | 62% | 0.624 | S | S | . | * | trans | -88.6 | 57.2 | 175.2 | -62.6 | -172.4 | -179.4 | 0 | 0 | 110.5 | K11 | K11-E13 HydrophobicContact CB-CG 4.32Å; K11-E13 HydrophobicContact CD-CG 4.45Å; K11-E13 HydrophobicContact CG-CG 4.17Å; K11-E13 PolarHBondContact O-N 3.45Å | ||
| 14 | N | 60.1 | Low | 73.7 | Confident | 73 Ų | 73 | 116.2 Ų | 116.2 | 39% | 0.39 | 61% | 0.613 | S | S | . | * | trans | -136.8 | 60.1 | 179.5 | -61.8 | -54.9 | 0 | 0 | 0 | 111.2 | P12 G26 S27 | P12-N14 VanDerWaalsContact C-N 3.26Å; P12-N14 PolarHBondContact O-N 3.32Å; N14-G26 PolarHBondContact OD1-O 3.39Å; N14-S27 WeakPolarHBondContact OD1-CA 3.18Å; N14-S27 WeakPolarHBondContact OD1-CB 3.43Å; N14-S27 PolarHBondContact OD1-OG 2.88Å; N14-S27 VanDerWaalsContact OD1-OG 3.08Å | ||
| 15 | K | 70.9 | Confident | 75.2 | Confident | 198 Ų | 198 | 113.5 Ų | 113.5 | 86% | 0.861 | 60% | 0.596 | S | S | * | * | trans | -92.4 | -2.4 | 161.3 | -90.3 | -177.2 | -179.9 | 177.6 | 0 | 113 | ||||
| 16 | N | 77.1 | Confident | 76.5 | Confident | 93 Ų | 93 | 108.3 Ų | 108.3 | 50% | 0.497 | 57% | 0.565 | S | S | . | * | P | Polyproline II helix | trans | -90.8 | 130 | -175.5 | -63.1 | -10.6 | 0 | 0 | 0 | 111.1 | G26 | N16-G26 PolarHBondContact O-N 3.23Š|
| 17 | M | 90.5 | Very high | 77.9 | Confident | 96 Ų | 96 | 104.7 Ų | 104.7 | 47% | 0.473 | 54% | 0.539 | S | S | . | . | B | Isolated β-bridge | trans | -69.5 | 149.8 | 169.1 | -72.6 | -86.8 | 97 | 0 | 0 | 109.7 | K19 Y25 | M17-K19 PolarHBondContact O-N 3.19Å; M17-Y25 HydrophobicContact CE-CD1 3.6Å; M17-Y25 HydrophobicContact CE-CD2 4.34Å; M17-Y25 HydrophobicContact CE-CE1 3.58Å; M17-Y25 HydrophobicContact CE-CE2 4.31Å; M17-Y25 HydrophobicContact CE-CG 3.99Å |
| 18 | C | 93.8 | Very high | 79.4 | Confident | 3 Ų | 3 | 100.1 Ų | 100.1 | 2% | 0.02 | 52% | 0.523 | C | S | . | . | P | Polyproline II helix | trans | -52.9 | 127.9 | 176.8 | 171.2 | 0 | 0 | 0 | 0 | 110.3 | R20 G21 C22 F24 D32 C34 | C18-R20 PolarHBondContact O-N 3.39Å; C18-G21 PolarHBondContact O-N 3.24Å; C18-C22 VanDerWaalsContact CB-SG 3.52Å; C18-F24 WeakPolarHBondContact CB-O 3.48Å; C18-F24 PolarHBondContact N-O 3.18Å; C18-D32 WeakPolarHBondContact CA-O 3.46Å; C18-C34 HydrophobicContact CB-CB 4.13Å; C18-C34 PolarHBondContact SG-N 3.34Å |
| 19 | K | 91.7 | Very high | 80.5 | Confident | 141 Ų | 141 | 101.8 Ų | 101.8 | 61% | 0.613 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | -26.5 | -179.9 | -79.2 | -179.6 | 179.7 | 148.1 | 0 | 114.8 | M17 G21 K31 D32 M33 | M17-K19 PolarHBondContact O-N 3.19Å; K19-G21 VanDerWaalsContact C-N 3.28Å; K19-G21 PolarHBondContact O-N 3.08Å; K19-K31 WeakPolarHBondContact CD-O 3.47Å; K19-K31 PolarHBondContact NZ-O 2.96Å; K19-D32 HydrophobicContact CD-CB 3.88Å; K19-D32 WeakPolarHBondContact CE-OD2 3.13Å; K19-D32 HydrophobicContact CG-CB 3.89Å; K19-D32 PolarHBondContact N-O 3.44Å; K19-D32 IonicContact NZ-OD2 3.14Å; K19-D32 PolarHBondContact NZ-OD2 3.43Å; K19-M33 HydrophobicContact CB-CG 4.24Å |
| 20 | R | 89 | Confident | 82 | Confident | 113 Ų | 113 | 96.6 Ų | 96.6 | 43% | 0.426 | 50% | 0.495 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | 1.2 | 174.2 | -70.9 | -164 | 179.3 | -151 | -5.4 | 115.1 | C18 C22 M33 C37 E40 | C18-R20 PolarHBondContact O-N 3.39Å; R20-C22 VanDerWaalsContact C-N 3.3Å; R20-C22 PolarHBondContact O-N 3.19Å; R20-M33 HydrophobicContact CG-CE 3.88Å; R20-M33 VanDerWaalsContact NE-CE 3.32Å; R20-C37 HydrophobicContact CB-CB 4.29Å; R20-C37 HydrophobicContact CG-CB 4.26Å; R20-E40 IonicContact NH1-OE2 3.55Å |
| 21 | G | 89 | Confident | 83.4 | Confident | 65 Ų | 65 | 96.1 Ų | 96.1 | 67% | 0.67 | 49% | 0.487 | S | S | * | . | trans | 69.7 | 20.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | C18 K19 G23 | C18-G21 PolarHBondContact O-N 3.24Å; K19-G21 VanDerWaalsContact C-N 3.28Å; K19-G21 PolarHBondContact O-N 3.08Å; G21-G23 PolarHBondContact O-N 2.94Å; G21-G23 VanDerWaalsContact O-N 3.13Å | ||
| 22 | C | 92.3 | Very high | 84.8 | Confident | 65 Ų | 65 | 90.6 Ų | 90.6 | 44% | 0.439 | 47% | 0.465 | S | S | . | . | trans | -74.7 | 2.1 | -176.4 | 70.9 | 0 | 0 | 0 | 0 | 114.9 | C18 R20 F24 C34 C37 | C18-C22 VanDerWaalsContact CB-SG 3.52Å; R20-C22 VanDerWaalsContact C-N 3.3Å; R20-C22 PolarHBondContact O-N 3.19Å; C22-F24 VanDerWaalsContact C-N 3.29Å; C22-F24 PolarHBondContact O-N 3.39Å; C22-C34 PolarHBondContact SG-SG 3.23Å; C22-C37 VanDerWaalsContact SG-SG 3.66Å | ||
| 23 | G | 90.1 | Very high | 86.5 | Confident | 60 Ų | 60 | 85.1 Ų | 85.1 | 62% | 0.619 | 43% | 0.428 | S | S | * | . | S | Bend | trans | 75.5 | 8.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | G21 | G21-G23 PolarHBondContact O-N 2.94Å; G21-G23 VanDerWaalsContact O-N 3.13Å |
| 24 | F | 91.6 | Very high | 88 | Confident | 123 Ų | 123 | 80.3 Ų | 80.3 | 54% | 0.539 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -107.4 | 158.4 | 172.7 | -159.5 | -98.3 | 0 | 0 | 0 | 111 | C18 C22 C34 | C18-F24 WeakPolarHBondContact CB-O 3.48Å; C18-F24 PolarHBondContact N-O 3.18Å; C22-F24 VanDerWaalsContact C-N 3.29Å; C22-F24 PolarHBondContact O-N 3.39Å; F24-C34 HydrophobicContact CB-CB 3.96Å; F24-C34 HydrophobicContact CD1-CB 3.59Å; F24-C34 HydrophobicContact CG-CB 4.19Å |
| 25 | Y | 93.2 | Very high | 89.5 | Confident | 132 Ų | 132 | 79.5 Ų | 79.5 | 52% | 0.518 | 41% | 0.407 | S | S | . | . | B | Isolated β-bridge | trans | -68.2 | 136 | 177.8 | -62.5 | -83.4 | 0 | 0 | 0 | 111.5 | M17 | M17-Y25 HydrophobicContact CE-CD1 3.6Å; M17-Y25 HydrophobicContact CE-CD2 4.34Å; M17-Y25 HydrophobicContact CE-CE1 3.58Å; M17-Y25 HydrophobicContact CE-CE2 4.31Å; M17-Y25 HydrophobicContact CE-CG 3.99Å |
| 26 | G | 92.1 | Very high | 90.6 | Very high | 1 Ų | 1 | 77.3 Ų | 77.3 | 1% | 0.01 | 40% | 0.397 | C | S | . | . | trans | -90.6 | 150.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | N14 N16 | N14-G26 PolarHBondContact OD1-O 3.39Å; N16-G26 PolarHBondContact O-N 3.23Å | ||
| 27 | S | 90.6 | Very high | 91.4 | Very high | 31 Ų | 31 | 73.3 Ų | 73.3 | 22% | 0.217 | 38% | 0.376 | C | S | . | . | B | Isolated β-bridge | trans | -119.6 | 146.9 | 171.8 | -60.2 | 0 | 0 | 0 | 0 | 110.7 | N14 R29 F30 D32 M33 | N14-S27 WeakPolarHBondContact OD1-CA 3.18Å; N14-S27 WeakPolarHBondContact OD1-CB 3.43Å; N14-S27 PolarHBondContact OD1-OG 2.88Å; N14-S27 VanDerWaalsContact OD1-OG 3.08Å; S27-R29 PolarHBondContact O-N 3.25Å; S27-F30 CarbonylContact O-C 3.44Å; S27-F30 WeakPolarHBondContact O-CA 3.34Å; S27-F30 PolarHBondContact O-N 2.91Å; S27-D32 WeakPolarHBondContact O-CA 3.48Å; S27-D32 PolarHBondContact O-N 2.89Å; S27-M33 PolarHBondContact N-O 3.24Å |
| 28 | V | 89.1 | Confident | 91.6 | Very high | 83 Ų | 83 | 71.4 Ų | 71.4 | 50% | 0.503 | 37% | 0.365 | S | S | . | . | G | 310 helix | trans | -56 | -33.8 | 177.4 | -63.2 | 0 | 0 | 0 | 0 | 112.4 | F30 K31 | V28-F30 PolarHBondContact O-N 3.4Å; V28-K31 PolarHBondContact O-N 2.8Å |
| 29 | R | 88.5 | Confident | 91.6 | Very high | 168 Ų | 168 | 76.6 Ų | 76.6 | 63% | 0.634 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -60.9 | -27.5 | 174.3 | -70.4 | -170.6 | 173.1 | 170.9 | 2 | 113.9 | S27 | S27-R29 PolarHBondContact O-N 3.25Š|
| 30 | F | 89.9 | Confident | 91.7 | Very high | 77 Ų | 77 | 74.5 Ų | 74.5 | 34% | 0.338 | 38% | 0.381 | S | S | . | . | G | 310 helix | trans | -109.7 | 31.5 | -178.5 | -58.6 | -52.6 | 0 | 0 | 0 | 111.2 | S27 V28 D32 M33 Y38 | S27-F30 CarbonylContact O-C 3.44Å; S27-F30 WeakPolarHBondContact O-CA 3.34Å; S27-F30 PolarHBondContact O-N 2.91Å; V28-F30 PolarHBondContact O-N 3.4Å; F30-D32 VanDerWaalsContact C-N 3.28Å; F30-D32 PolarHBondContact O-N 3.13Å; F30-M33 VanDerWaalsContact CB-O 3.26Å; F30-M33 WeakPolarHBondContact CB-O 3.26Å; F30-M33 VanDerWaalsContact O-CB 3.23Å; F30-M33 WeakPolarHBondContact O-CB 3.41Å; F30-M33 PolarHBondContact O-N 3.48Å; F30-Y38 HydrophobicContact CB-CD1 4.26Å; F30-Y38 HydrophobicContact CB-CD2 4.01Å; F30-Y38 HydrophobicContact CB-CG 3.8Å; F30-Y38 AromaticContact CD1-CD1 3.52Å; F30-Y38 HydrophobicContact CD1-CD1 3.52Å; F30-Y38 AromaticContact CD1-CE1 3.87Å; F30-Y38 HydrophobicContact CD1-CE1 3.87Å; F30-Y38 AromaticContact CD1-CG 3.97Å; F30-Y38 HydrophobicContact CD1-CG 3.97Å; F30-Y38 HydrophobicContact CE1-CD1 4.32Å; F30-Y38 HydrophobicContact CG-CD1 4.26Å; F30-Y38 HydrophobicContact CG-CG 4.26Å; F30-Y38 VanDerWaalsContact O-CD2 3.3Å; F30-Y38 WeakPolarHBondContact O-CD2 3.33Å |
| 31 | K | 91.4 | Very high | 91.8 | Very high | 113 Ų | 113 | 71.4 Ų | 71.4 | 49% | 0.491 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | 36.2 | -177.2 | -58.5 | 179 | -178.8 | 177.2 | 0 | 113.7 | K19 V28 M33 Y38 | K19-K31 WeakPolarHBondContact CD-O 3.47Å; K19-K31 PolarHBondContact NZ-O 2.96Å; V28-K31 PolarHBondContact O-N 2.8Å; K31-M33 VanDerWaalsContact C-N 3.26Å; K31-M33 PolarHBondContact O-N 3.29Å; K31-Y38 HydrophobicContact CD-CE2 4.16Å; K31-Y38 HydrophobicContact CG-CE2 4.09Å |
| 32 | D | 91.3 | Very high | 91.9 | Very high | 36 Ų | 36 | 72.1 Ų | 72.1 | 19% | 0.193 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61.4 | 28.4 | -172.1 | -51.2 | -62.6 | 0 | 0 | 0 | 114.2 | C18 K19 S27 F30 | C18-D32 WeakPolarHBondContact CA-O 3.46Å; K19-D32 HydrophobicContact CD-CB 3.88Å; K19-D32 WeakPolarHBondContact CE-OD2 3.13Å; K19-D32 HydrophobicContact CG-CB 3.89Å; K19-D32 PolarHBondContact N-O 3.44Å; K19-D32 IonicContact NZ-OD2 3.14Å; K19-D32 PolarHBondContact NZ-OD2 3.43Å; S27-D32 WeakPolarHBondContact O-CA 3.48Å; S27-D32 PolarHBondContact O-N 2.89Å; F30-D32 VanDerWaalsContact C-N 3.28Å; F30-D32 PolarHBondContact O-N 3.13Å |
| 33 | M | 93.2 | Very high | 91.9 | Very high | 8 Ų | 8 | 76 Ų | 76 | 4% | 0.039 | 37% | 0.368 | C | S | . | . | B | Isolated β-bridge | trans | -110.6 | 155.9 | 175.7 | -56.8 | 169.8 | 58.6 | 0 | 0 | 109.5 | K19 R20 S27 F30 K31 C37 H41 | K19-M33 HydrophobicContact CB-CG 4.24Å; R20-M33 HydrophobicContact CG-CE 3.88Å; R20-M33 VanDerWaalsContact NE-CE 3.32Å; S27-M33 PolarHBondContact N-O 3.24Å; F30-M33 VanDerWaalsContact CB-O 3.26Å; F30-M33 WeakPolarHBondContact CB-O 3.26Å; F30-M33 VanDerWaalsContact O-CB 3.23Å; F30-M33 WeakPolarHBondContact O-CB 3.41Å; F30-M33 PolarHBondContact O-N 3.48Å; K31-M33 VanDerWaalsContact C-N 3.26Å; K31-M33 PolarHBondContact O-N 3.29Å; M33-C37 HydrophobicContact CB-CB 4.21Å; M33-C37 VanDerWaalsContact CE-C 3.46Å; M33-C37 HydrophobicContact CE-CB 3.87Å; M33-C37 WeakPolarHBondContact CE-O 3.45Å; M33-H41 HydrophobicContact CE-CB 3.59Å; M33-H41 HydrophobicContact SD-CB 4.23Å |
| 34 | C | 93.4 | Very high | 91.4 | Very high | 7 Ų | 7 | 76.2 Ų | 76.2 | 5% | 0.047 | 36% | 0.36 | C | S | . | . | trans | -71 | 160.4 | 169.3 | 77 | 0 | 0 | 0 | 0 | 109.8 | C18 C22 F24 K36 C37 Y38 | C18-C34 HydrophobicContact CB-CB 4.13Å; C18-C34 PolarHBondContact SG-N 3.34Å; C22-C34 PolarHBondContact SG-SG 3.23Å; F24-C34 HydrophobicContact CB-CB 3.96Å; F24-C34 HydrophobicContact CD1-CB 3.59Å; F24-C34 HydrophobicContact CG-CB 4.19Å; C34-K36 PolarHBondContact O-N 3.43Å; C34-K36 VanDerWaalsContact O-N 3.13Å; C34-C37 PolarHBondContact O-N 3.28Å; C34-C37 VanDerWaalsContact O-N 3.15Å; C34-C37 PolarHBondContact SG-N 2.89Å; C34-C37 PolarHBondContact SG-SG 3.08Å; C34-Y38 WeakPolarHBondContact O-CB 3.23Å; C34-Y38 PolarHBondContact O-N 2.73Å | ||
| 35 | S | 91 | Very high | 91 | Very high | 57 Ų | 57 | 73.4 Ų | 73.4 | 40% | 0.399 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -52.5 | -38.4 | -179.3 | 55.8 | 0 | 0 | 0 | 0 | 113.6 | Q39 | S35-Q39 VanDerWaalsContact O-CG 3.29Å; S35-Q39 WeakPolarHBondContact O-CG 3.3Å; S35-Q39 PolarHBondContact O-N 2.89Å; S35-Q39 VanDerWaalsContact O-N 3.12Å |
| 36 | K | 93.3 | Very high | 90.2 | Very high | 151 Ų | 151 | 69.9 Ų | 69.9 | 66% | 0.657 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -68.6 | -51 | 177.3 | -66 | -173.8 | 177.5 | -172.9 | 0 | 112.4 | C34 Y38 Q39 E40 | C34-K36 PolarHBondContact O-N 3.43Å; C34-K36 VanDerWaalsContact O-N 3.13Å; K36-Y38 VanDerWaalsContact C-N 3.27Å; K36-Y38 PolarHBondContact O-N 3.29Å; K36-Q39 WeakPolarHBondContact O-CB 3.16Å; K36-Q39 PolarHBondContact O-N 2.73Å; K36-E40 PolarHBondContact O-N 3.37Å |
| 37 | C | 94.8 | Very high | 89 | Confident | 9 Ų | 9 | 74 Ų | 74 | 6% | 0.061 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -63.4 | -36.1 | 179.4 | -72.7 | 0 | 0 | 0 | 0 | 111.5 | R20 C22 M33 C34 E40 H41 | R20-C37 HydrophobicContact CB-CB 4.29Å; R20-C37 HydrophobicContact CG-CB 4.26Å; C22-C37 VanDerWaalsContact SG-SG 3.66Å; M33-C37 HydrophobicContact CB-CB 4.21Å; M33-C37 VanDerWaalsContact CE-C 3.46Å; M33-C37 HydrophobicContact CE-CB 3.87Å; M33-C37 WeakPolarHBondContact CE-O 3.45Å; C34-C37 PolarHBondContact O-N 3.28Å; C34-C37 VanDerWaalsContact O-N 3.15Å; C34-C37 PolarHBondContact SG-N 2.89Å; C34-C37 PolarHBondContact SG-SG 3.08Å; C37-E40 PolarHBondContact O-N 2.91Å; C37-H41 WeakPolarHBondContact O-CB 3.47Å; C37-H41 PolarHBondContact O-N 3.05Å |
| 38 | Y | 94.2 | Very high | 87.6 | Confident | 57 Ų | 57 | 78.1 Ų | 78.1 | 22% | 0.224 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -65.2 | -41.6 | 175.6 | -174.9 | -109.4 | 0 | 0 | 0 | 111.9 | F30 K31 C34 K36 E40 H41 I42 | F30-Y38 HydrophobicContact CB-CD1 4.26Å; F30-Y38 HydrophobicContact CB-CD2 4.01Å; F30-Y38 HydrophobicContact CB-CG 3.8Å; F30-Y38 AromaticContact CD1-CD1 3.52Å; F30-Y38 HydrophobicContact CD1-CD1 3.52Å; F30-Y38 AromaticContact CD1-CE1 3.87Å; F30-Y38 HydrophobicContact CD1-CE1 3.87Å; F30-Y38 AromaticContact CD1-CG 3.97Å; F30-Y38 HydrophobicContact CD1-CG 3.97Å; F30-Y38 HydrophobicContact CE1-CD1 4.32Å; F30-Y38 HydrophobicContact CG-CD1 4.26Å; F30-Y38 HydrophobicContact CG-CG 4.26Å; F30-Y38 VanDerWaalsContact O-CD2 3.3Å; F30-Y38 WeakPolarHBondContact O-CD2 3.33Å; K31-Y38 HydrophobicContact CD-CE2 4.16Å; K31-Y38 HydrophobicContact CG-CE2 4.09Å; C34-Y38 WeakPolarHBondContact O-CB 3.23Å; C34-Y38 PolarHBondContact O-N 2.73Å; K36-Y38 VanDerWaalsContact C-N 3.27Å; K36-Y38 PolarHBondContact O-N 3.29Å; Y38-E40 VanDerWaalsContact C-N 3.34Å; Y38-E40 PolarHBondContact O-N 3.32Å; Y38-H41 WeakPolarHBondContact O-CB 3.44Å; Y38-H41 PolarHBondContact O-N 3.31Å; Y38-I42 HydrophobicContact CD1-CD1 3.64Å; Y38-I42 HydrophobicContact CD1-CG1 4.47Å; Y38-I42 HydrophobicContact CE1-CD1 3.25Å; Y38-I42 HydrophobicContact CE1-CG1 4.14Å; Y38-I42 HydrophobicContact CE2-CD1 4.44Å; Y38-I42 HydrophobicContact CG-CD1 4.39Å; Y38-I42 WeakPolarHBondContact O-CG1 3.48Å; Y38-I42 PolarHBondContact O-N 3.28Å |
| 39 | Q | 93.9 | Very high | 86.2 | Confident | 111 Ų | 111 | 81.2 Ų | 81.2 | 52% | 0.519 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61.4 | -41.5 | 172.6 | -74.1 | 172.5 | 15.2 | 0 | 0 | 112.3 | S35 K36 H41 I42 K43 | S35-Q39 VanDerWaalsContact O-CG 3.29Å; S35-Q39 WeakPolarHBondContact O-CG 3.3Å; S35-Q39 PolarHBondContact O-N 2.89Å; S35-Q39 VanDerWaalsContact O-N 3.12Å; K36-Q39 WeakPolarHBondContact O-CB 3.16Å; K36-Q39 PolarHBondContact O-N 2.73Å; Q39-H41 VanDerWaalsContact C-N 3.33Å; Q39-I42 PolarHBondContact O-N 2.84Å; Q39-K43 VanDerWaalsContact O-CG 3.29Å; Q39-K43 WeakPolarHBondContact O-CG 3.38Å; Q39-K43 PolarHBondContact O-N 3.04Å; Q39-K43 VanDerWaalsContact O-N 3.1Å |
| 40 | E | 93.8 | Very high | 84.6 | Confident | 98 Ų | 98 | 79.7 Ų | 79.7 | 46% | 0.458 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -63.9 | -38.4 | 174.2 | -70.6 | 171.9 | -175.2 | 0 | 0 | 112 | R20 K36 C37 Y38 K43 C44 | R20-E40 IonicContact NH1-OE2 3.55Å; K36-E40 PolarHBondContact O-N 3.37Å; C37-E40 PolarHBondContact O-N 2.91Å; Y38-E40 VanDerWaalsContact C-N 3.34Å; Y38-E40 PolarHBondContact O-N 3.32Å; E40-K43 PolarHBondContact O-N 3.21Å; E40-C44 PolarHBondContact O-N 3.15Å; E40-C44 PolarHBondContact O-SG 3.5Å; E40-C44 VanDerWaalsContact O-SG 3.36Å |
| 41 | H | 90.9 | Very high | 83 | Confident | 47 Ų | 47 | 78.6 Ų | 78.6 | 22% | 0.218 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -62.3 | -47.3 | 176.1 | -166.9 | -69.9 | 0 | 0 | 0 | 111.9 | M33 C37 Y38 Q39 K43 C44 D45 | M33-H41 HydrophobicContact CE-CB 3.59Å; M33-H41 HydrophobicContact SD-CB 4.23Å; C37-H41 WeakPolarHBondContact O-CB 3.47Å; C37-H41 PolarHBondContact O-N 3.05Å; Y38-H41 WeakPolarHBondContact O-CB 3.44Å; Y38-H41 PolarHBondContact O-N 3.31Å; Q39-H41 VanDerWaalsContact C-N 3.33Å; H41-K43 VanDerWaalsContact C-N 3.27Å; H41-K43 PolarHBondContact O-N 3.12Å; H41-C44 PolarHBondContact O-N 2.78Å; H41-D45 IonicContact CE1-OD1 2.89Å; H41-D45 PolarHBondContact CE1-OD1 3.35Å; H41-D45 IonicContact CE1-OD2 2.67Å; H41-D45 PolarHBondContact CE1-OD2 3.37Å; H41-D45 IonicContact ND1-OD1 2.73Å; H41-D45 IonicContact ND1-OD2 3.43Å; H41-D45 PolarHBondContact ND1-OD2 2.95Å; H41-D45 WeakPolarHBondContact O-CB 3.29Å; H41-D45 VanDerWaalsContact O-CG 3.22Å; H41-D45 PolarHBondContact O-N 3.09Å |
| 42 | I | 91.7 | Very high | 81.4 | Confident | 81 Ų | 81 | 77.8 Ų | 77.8 | 42% | 0.415 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -60.9 | -39.1 | 176.9 | -64.5 | 162.8 | 0 | 0 | 0 | 110.8 | Y38 Q39 S46 | Y38-I42 HydrophobicContact CD1-CD1 3.64Å; Y38-I42 HydrophobicContact CD1-CG1 4.47Å; Y38-I42 HydrophobicContact CE1-CD1 3.25Å; Y38-I42 HydrophobicContact CE1-CG1 4.14Å; Y38-I42 HydrophobicContact CE2-CD1 4.44Å; Y38-I42 HydrophobicContact CG-CD1 4.39Å; Y38-I42 WeakPolarHBondContact O-CG1 3.48Å; Y38-I42 PolarHBondContact O-N 3.28Å; Q39-I42 PolarHBondContact O-N 2.84Å; I42-S46 WeakPolarHBondContact O-CB 3.36Å; I42-S46 PolarHBondContact O-N 3.15Å |
| 43 | K | 91.1 | Very high | 79.6 | Confident | 145 Ų | 145 | 83.3 Ų | 83.3 | 63% | 0.63 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -65.9 | -43.6 | 177.6 | -71.8 | 171.9 | -176.6 | -178.9 | 0 | 112.3 | Q39 E40 H41 T47 | Q39-K43 VanDerWaalsContact O-CG 3.29Å; Q39-K43 WeakPolarHBondContact O-CG 3.38Å; Q39-K43 PolarHBondContact O-N 3.04Å; Q39-K43 VanDerWaalsContact O-N 3.1Å; E40-K43 PolarHBondContact O-N 3.21Å; H41-K43 VanDerWaalsContact C-N 3.27Å; H41-K43 PolarHBondContact O-N 3.12Å; K43-T47 PolarHBondContact O-N 2.97Å; K43-T47 PolarHBondContact O-OG1 3.31Å |
| 44 | C | 81.4 | Confident | 77.7 | Confident | 66 Ų | 66 | 88.7 Ų | 88.7 | 45% | 0.446 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -67.5 | -40.8 | 177.3 | -69.7 | 0 | 0 | 0 | 0 | 112.5 | E40 H41 T47 L48 | E40-C44 PolarHBondContact O-N 3.15Å; E40-C44 PolarHBondContact O-SG 3.5Å; E40-C44 VanDerWaalsContact O-SG 3.36Å; H41-C44 PolarHBondContact O-N 2.78Å; C44-T47 WeakPolarHBondContact CA-OG1 3.39Å; C44-T47 PolarHBondContact O-N 3.47Å; C44-T47 PolarHBondContact O-OG1 3.1Å; C44-L48 PolarHBondContact O-N 3.48Å; C44-L48 VanDerWaalsContact O-N 3.08Å |
| 45 | D | 81.4 | Confident | 75.6 | Confident | 63 Ų | 63 | 96.2 Ų | 96.2 | 34% | 0.337 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.8 | -43.5 | 178.2 | -69 | -9.8 | 0 | 0 | 0 | 111 | H41 T47 L48 E49 | H41-D45 IonicContact CE1-OD1 2.89Å; H41-D45 PolarHBondContact CE1-OD1 3.35Å; H41-D45 IonicContact CE1-OD2 2.67Å; H41-D45 PolarHBondContact CE1-OD2 3.37Å; H41-D45 IonicContact ND1-OD1 2.73Å; H41-D45 IonicContact ND1-OD2 3.43Å; H41-D45 PolarHBondContact ND1-OD2 2.95Å; H41-D45 WeakPolarHBondContact O-CB 3.29Å; H41-D45 VanDerWaalsContact O-CG 3.22Å; H41-D45 PolarHBondContact O-N 3.09Å; D45-T47 VanDerWaalsContact C-N 3.27Å; D45-T47 PolarHBondContact O-N 3.2Å; D45-L48 WeakPolarHBondContact O-CB 3.29Å; D45-L48 PolarHBondContact O-N 3.36Å; D45-E49 PolarHBondContact O-N 3.13Å; D45-E49 VanDerWaalsContact O-N 3.15Å |
| 46 | S | 76.4 | Confident | 73.5 | Confident | 58 Ų | 58 | 98.4 Ų | 98.4 | 41% | 0.406 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.8 | -31.6 | 178.5 | -171.6 | 0 | 0 | 0 | 0 | 112.9 | I42 Q50 | I42-S46 WeakPolarHBondContact O-CB 3.36Å; I42-S46 PolarHBondContact O-N 3.15Å; S46-Q50 PolarHBondContact O-NE2 3.12Å |
| 47 | T | 67.1 | Low | 71.6 | Confident | 88 Ų | 88 | 96.4 Ų | 96.4 | 54% | 0.54 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -75.3 | -28.1 | 172.9 | 50.9 | 0 | 0 | 0 | 0 | 113.4 | K43 C44 D45 A51 | K43-T47 PolarHBondContact O-N 2.97Å; K43-T47 PolarHBondContact O-OG1 3.31Å; C44-T47 WeakPolarHBondContact CA-OG1 3.39Å; C44-T47 PolarHBondContact O-N 3.47Å; C44-T47 PolarHBondContact O-OG1 3.1Å; D45-T47 VanDerWaalsContact C-N 3.27Å; D45-T47 PolarHBondContact O-N 3.2Å; T47-A51 PolarHBondContact O-N 2.97Å; T47-A51 VanDerWaalsContact O-N 3.12Å |
| 48 | L | 62.6 | Low | 69.6 | Low | 117 Ų | 117 | 100.8 Ų | 100.8 | 61% | 0.613 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -71.9 | -39.1 | 178.4 | -165.8 | 76.8 | 0 | 0 | 0 | 111.2 | C44 D45 Q50 A51 T52 | C44-L48 PolarHBondContact O-N 3.48Å; C44-L48 VanDerWaalsContact O-N 3.08Å; D45-L48 WeakPolarHBondContact O-CB 3.29Å; D45-L48 PolarHBondContact O-N 3.36Å; L48-Q50 VanDerWaalsContact C-N 3.31Å; L48-Q50 PolarHBondContact O-N 2.94Å; L48-A51 PolarHBondContact O-N 3.07Å; L48-T52 WeakPolarHBondContact O-CG2 3.4Å; L48-T52 PolarHBondContact O-N 3.01Å; L48-T52 PolarHBondContact O-OG1 2.98Å |
| 49 | E | 58.2 | Low | 68 | Low | 148 Ų | 148 | 105.5 Ų | 105.5 | 69% | 0.692 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -67.1 | -30.9 | 175.5 | -67.8 | -172.3 | 155.9 | 0 | 0 | 112.8 | D45 T52 | D45-E49 PolarHBondContact O-N 3.13Å; D45-E49 VanDerWaalsContact O-N 3.15Å; E49-T52 PolarHBondContact O-OG1 2.72Å |
| 50 | Q | 56.1 | Low | 65.6 | Low | 137 Ų | 137 | 106.9 Ų | 106.9 | 64% | 0.64 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -75.9 | -28.8 | 174.2 | -71.8 | 176.8 | 45.7 | 0 | 0 | 112.7 | S46 L48 | S46-Q50 PolarHBondContact O-NE2 3.12Å; L48-Q50 VanDerWaalsContact C-N 3.31Å; L48-Q50 PolarHBondContact O-N 2.94Å |
| 51 | A | 56.3 | Low | 63.6 | Low | 54 Ų | 54 | 113.5 Ų | 113.5 | 45% | 0.446 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -76.7 | -23.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | T47 L48 L53 | T47-A51 PolarHBondContact O-N 2.97Å; T47-A51 VanDerWaalsContact O-N 3.12Å; L48-A51 PolarHBondContact O-N 3.07Å; A51-L53 VanDerWaalsContact C-N 3.31Å; A51-L53 PolarHBondContact O-N 3.14Å |
| 52 | T | 56.8 | Low | 61.8 | Low | 96 Ų | 96 | 115.7 Ų | 115.7 | 59% | 0.589 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | -10.8 | -179.6 | 45.3 | 0 | 0 | 0 | 0 | 115.2 | L48 E49 | L48-T52 WeakPolarHBondContact O-CG2 3.4Å; L48-T52 PolarHBondContact O-N 3.01Å; L48-T52 PolarHBondContact O-OG1 2.98Å; E49-T52 PolarHBondContact O-OG1 2.72Å |
| 53 | L | 55.2 | Low | 60 | Low | 151 Ų | 151 | 119 Ų | 119 | 79% | 0.791 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | -5.7 | 177.1 | -76.3 | 172.8 | 0 | 0 | 0 | 114.6 | A51 | A51-L53 VanDerWaalsContact C-N 3.31Å; A51-L53 PolarHBondContact O-N 3.14Å |
| 54 | V | 51.7 | Low | 58.1 | Low | 121 Ų | 121 | 117.6 Ų | 117.6 | 73% | 0.733 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -122.1 | 6.7 | -174.9 | -78.3 | 0 | 0 | 0 | 0 | 114.7 | ||
| 55 | H | 50.7 | Low | 56.8 | Low | 165 Ų | 165 | 124.2 Ų | 124.2 | 76% | 0.764 | 66% | 0.664 | S | S | * | * | trans | -122.4 | 53.8 | 177 | -144 | 66.8 | 0 | 0 | 0 | 112.4 | ||||
| 56 | S | 46.9 | Very low | 55.2 | Low | 104 Ų | 104 | 130 Ų | 130 | 73% | 0.727 | 69% | 0.686 | S | S | * | * | trans | -109.9 | 44.8 | 173.1 | -57.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 57 | T | 52.6 | Low | 53.9 | Low | 109 Ų | 109 | 132.7 Ų | 132.7 | 67% | 0.669 | 71% | 0.705 | S | S | * | * | trans | -148.1 | 122.9 | 163.8 | 53.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 58 | S | 53.9 | Low | 53.2 | Low | 100 Ų | 100 | 138 Ų | 138 | 70% | 0.699 | 72% | 0.723 | S | S | * | * | trans | 109.3 | 96.7 | 142.8 | -40.7 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 59 | I | 60.7 | Low | 52.6 | Low | 156 Ų | 156 | 139.3 Ų | 139.3 | 80% | 0.8 | 73% | 0.73 | S | S | * | * | trans | 85.7 | 95.7 | 130.6 | -47.6 | 157.3 | 0 | 0 | 0 | 117.7 | ||||
| 60 | D | 41.7 | Very low | 52.2 | Low | 140 Ų | 140 | 139.2 Ų | 139.2 | 75% | 0.749 | 73% | 0.734 | S | S | * | * | trans | -18.9 | 121.5 | 140.8 | -151.9 | -66.3 | 0 | 0 | 0 | 115.3 | ||||
| 61 | R | 53.6 | Low | 51.5 | Low | 237 Ų | 237 | 139.1 Ų | 139.1 | 89% | 0.894 | 74% | 0.738 | S | S | * | * | trans | -164.2 | 122.9 | 148.1 | -109.8 | 162.8 | 178.1 | -163.8 | -3 | 112.9 | ||||
| 62 | S | 51.3 | Low | 50.7 | Low | 94 Ų | 94 | 141 Ų | 141 | 66% | 0.657 | 75% | 0.746 | S | S | * | * | trans | -56.5 | 158.6 | -174.1 | -45.6 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 63 | D | 54.1 | Low | 50.1 | Low | 149 Ų | 149 | 142 Ų | 142 | 80% | 0.797 | 76% | 0.756 | S | S | * | * | trans | 92.6 | 110.2 | 135 | -88.6 | -44.5 | 0 | 0 | 0 | 120.8 | ||||
| 64 | N | 52.8 | Low | 49.4 | Very low | 117 Ų | 117 | 142.9 Ų | 142.9 | 63% | 0.626 | 76% | 0.756 | S | S | * | * | 100.3 | 114.9 | 114.9 | -154.1 | 28.9 | 0 | 0 | 0 | 117.6 | |||||
| 65 | R | 53.8 | Low | 49.4 | Very low | 205 Ų | 205 | 145.7 Ų | 145.7 | 77% | 0.774 | 76% | 0.761 | S | S | * | * | trans | 96.5 | 105.5 | 145.6 | -51.5 | -156.8 | 169.2 | 168.3 | -3.7 | 119.7 | ||||
| 66 | K | 47 | Very low | 49.4 | Very low | 185 Ų | 185 | 143 Ų | 143 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | 87.2 | 92.4 | 114.3 | -158.4 | 168.9 | -173.2 | 178.3 | 0 | 114.7 | |||||
| 67 | S | 48.5 | Very low | 49.2 | Very low | 114 Ų | 114 | 143.9 Ų | 143.9 | 80% | 0.797 | 76% | 0.764 | S | S | * | * | 48.3 | 91.2 | 98.1 | -80.2 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 68 | Q | 53.7 | Low | 49.3 | Very low | 199 Ų | 199 | 148.4 Ų | 148.4 | 93% | 0.93 | 77% | 0.774 | S | S | * | * | trans | -135.3 | 92.8 | 150.6 | -70.4 | -167.4 | -0.2 | 0 | 0 | 108.6 | ||||
| 69 | L | 48.8 | Very low | 48.5 | Very low | 144 Ų | 144 | 151 Ų | 151 | 75% | 0.754 | 78% | 0.78 | S | S | * | * | trans | -83.2 | 152.5 | 159.5 | -154.2 | 161.5 | 0 | 0 | 0 | 105.7 | ||||
| 70 | L | 49.5 | Very low | 47.8 | Very low | 147 Ų | 147 | 149.5 Ų | 149.5 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | trans | 79.2 | 145.6 | 172.4 | -37.1 | 155.7 | 0 | 0 | 0 | 111.9 | ||||
| 71 | D | 41.4 | Very low | 47.8 | Very low | 135 Ų | 135 | 148.9 Ų | 148.9 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | cis | -167.2 | 167.3 | 23.7 | -160.8 | 16 | 0 | 0 | 0 | 110 | ||||
| 72 | C | 41 | Very low | 47.5 | Very low | 92 Ų | 92 | 142.2 Ų | 142.2 | 62% | 0.622 | 77% | 0.774 | S | S | * | * | trans | -55.6 | 144.7 | -177.5 | 52.7 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 73 | C | 43.4 | Very low | 47.3 | Very low | 118 Ų | 118 | 144 Ų | 144 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | trans | -115.9 | 98.1 | 162.9 | -73.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 74 | E | 39.7 | Very low | 47.1 | Very low | 170 Ų | 170 | 145.5 Ų | 145.5 | 79% | 0.794 | 78% | 0.779 | S | S | * | * | trans | -70.2 | 141.5 | 154.1 | -72.7 | -179.9 | 108.1 | 0 | 0 | 109.9 | ||||
| 75 | H | 52.7 | Low | 47 | Very low | 180 Ų | 180 | 145.8 Ų | 145.8 | 83% | 0.833 | 79% | 0.79 | S | S | * | * | trans | -136.6 | 109.6 | 155.7 | -78.3 | 85.8 | 0 | 0 | 0 | 109.1 | ||||
| 76 | S | 50.1 | Low | 46.5 | Very low | 108 Ų | 108 | 143.6 Ų | 143.6 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | trans | -74.7 | 158.6 | 170.4 | -101.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 77 | P | 43.9 | Very low | 46.8 | Very low | 122 Ų | 122 | 139.9 Ų | 139.9 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | trans | -89.3 | 161.9 | -173.5 | 37.3 | -33.7 | 0 | 0 | 0 | 112.9 | ||||
| 78 | K | 54.5 | Low | 46.5 | Very low | 205 Ų | 205 | 140 Ų | 140 | 89% | 0.891 | 78% | 0.784 | S | S | * | * | trans | -136.3 | 119.8 | 171.3 | -53 | -175.5 | -173.1 | -178.1 | 0 | 110.4 | ||||
| 79 | D | 35.6 | Very low | 46 | Very low | 155 Ų | 155 | 136 Ų | 136 | 83% | 0.829 | 77% | 0.774 | S | S | * | * | trans | -59.4 | 150.1 | 167.9 | -75.6 | -64.4 | 0 | 0 | 0 | 113 | ||||
| 80 | S | 46.6 | Very low | 46.2 | Very low | 124 Ų | 124 | 134 Ų | 134 | 87% | 0.867 | 77% | 0.772 | S | S | * | * | trans | -158.3 | 98.6 | 151.4 | -78.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 81 | T | 41.8 | Very low | 46.4 | Very low | 127 Ų | 127 | 130.7 Ų | 130.7 | 78% | 0.779 | 76% | 0.761 | S | S | * | * | trans | -27 | 138.5 | 151.1 | -40.5 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 82 | S | 47 | Very low | 47.1 | Very low | 96 Ų | 96 | 131.9 Ų | 131.9 | 67% | 0.671 | 76% | 0.763 | S | S | * | * | 166 | 131.8 | 114 | 63.1 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 83 | N | 47.6 | Very low | 47.8 | Very low | 132 Ų | 132 | 134.8 Ų | 134.8 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | trans | 64.9 | 109 | 138.7 | -56.8 | -12.5 | 0 | 0 | 0 | 120.1 | ||||
| 84 | Q | 50.2 | Low | 48.1 | Very low | 180 Ų | 180 | 133.6 Ų | 133.6 | 84% | 0.841 | 76% | 0.764 | S | S | * | * | 68.2 | 108.8 | 78.5 | -75.4 | -171.3 | 63.4 | 0 | 0 | 115.2 | |||||
| 85 | S | 50.7 | Low | 49 | Very low | 123 Ų | 123 | 136.3 Ų | 136.3 | 86% | 0.86 | 77% | 0.767 | S | S | * | * | 176.9 | 112.8 | 127.9 | 54.1 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 86 | D | 43.7 | Very low | 48.7 | Very low | 159 Ų | 159 | 133.6 Ų | 133.6 | 85% | 0.85 | 76% | 0.763 | S | S | * | * | trans | -97.7 | -179.9 | 154.8 | -92.5 | -45 | 0 | 0 | 0 | 108 | ||||
| 87 | P | 52.4 | Low | 49 | Very low | 107 Ų | 107 | 136 Ų | 136 | 70% | 0.695 | 77% | 0.766 | S | S | * | * | cis | -135.1 | -158.8 | -41.8 | 36 | -16.8 | 0 | 0 | 0 | 110.8 | ||||
| 88 | T | 41.8 | Very low | 49.4 | Very low | 116 Ų | 116 | 137.6 Ų | 137.6 | 71% | 0.712 | 76% | 0.761 | S | S | * | * | trans | 115.8 | 124.3 | 143.9 | -25.1 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 89 | T | 43.8 | Very low | 49.4 | Very low | 115 Ų | 115 | 136.9 Ų | 136.9 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | trans | 105.8 | 126.8 | 134 | -21.6 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 90 | S | 52 | Low | 50.1 | Low | 102 Ų | 102 | 139 Ų | 139 | 71% | 0.713 | 75% | 0.754 | S | S | * | * | trans | 73.9 | 140 | 146.4 | -97.6 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 91 | S | 53.9 | Low | 50.3 | Low | 79 Ų | 79 | 137.6 Ų | 137.6 | 55% | 0.552 | 75% | 0.751 | S | S | * | * | cis | -176.3 | 143 | 17.1 | -102.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 92 | Q | 56.8 | Low | 51 | Low | 160 Ų | 160 | 139.1 Ų | 139.1 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | trans | 71.3 | 117.6 | 132 | -62.5 | 173.8 | 6.4 | 0 | 0 | 122.9 | ||||
| 93 | L | 55.2 | Low | 51.1 | Low | 152 Ų | 152 | 140.4 Ų | 140.4 | 80% | 0.796 | 76% | 0.76 | S | S | * | * | trans | 66.2 | 136.7 | 130.1 | -51.5 | 167.4 | 0 | 0 | 0 | 117.1 | ||||
| 94 | S | 51 | Low | 51.2 | Low | 93 Ų | 93 | 139.9 Ų | 139.9 | 65% | 0.65 | 77% | 0.767 | S | S | * | * | cis | -178.8 | 148.7 | 38.1 | -20.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 95 | R | 57 | Low | 50.7 | Low | 228 Ų | 228 | 138.6 Ų | 138.6 | 86% | 0.86 | 77% | 0.766 | S | S | * | * | trans | 64 | 110.6 | 136.1 | -60.8 | 167.8 | -171.9 | -146.5 | 1.4 | 119.9 | ||||
| 96 | T | 46.7 | Very low | 50.8 | Low | 123 Ų | 123 | 138.4 Ų | 138.4 | 76% | 0.755 | 76% | 0.764 | S | S | * | * | 99.7 | 131.8 | 82 | -58.4 | 0 | 0 | 0 | 0 | 112 | |||||
| 97 | L | 57.7 | Low | 50.8 | Low | 157 Ų | 157 | 135.1 Ų | 135.1 | 82% | 0.822 | 76% | 0.759 | S | S | * | * | trans | 132.8 | 143.7 | 151.9 | -69.9 | 172.4 | 0 | 0 | 0 | 111.1 | ||||
| 98 | K | 51.6 | Low | 50.5 | Low | 156 Ų | 156 | 139 Ų | 139 | 68% | 0.678 | 77% | 0.768 | S | S | * | * | cis | 176.1 | 141.1 | -36.7 | 168.3 | 152.6 | -179 | 175.2 | 0 | 105.9 | ||||
| 99 | R | 53.7 | Low | 50.5 | Low | 191 Ų | 191 | 139.8 Ų | 139.8 | 72% | 0.721 | 77% | 0.773 | S | S | * | * | trans | 93.7 | 115.3 | 162.9 | -68 | 149.2 | -170 | -117.1 | 4.3 | 117.4 | ||||
| 100 | K | 51.3 | Low | 50.8 | Low | 198 Ų | 198 | 139.3 Ų | 139.3 | 86% | 0.861 | 78% | 0.775 | S | S | * | * | 86 | 137.9 | 90.7 | -74.8 | -172.8 | 173.1 | -165.2 | 0 | 110.7 | |||||
| 101 | A | 50.7 | Low | 50.9 | Low | 96 Ų | 96 | 144 Ų | 144 | 79% | 0.793 | 78% | 0.782 | S | S | * | * | cis | -159.9 | 176.6 | 8.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 102 | N | 57.1 | Low | 50.3 | Low | 158 Ų | 158 | 144.3 Ų | 144.3 | 85% | 0.845 | 79% | 0.789 | S | S | * | * | trans | -60 | 162.3 | -163 | -61.3 | -20.4 | 0 | 0 | 0 | 119.7 | ||||
| 103 | P | 48.5 | Very low | 49.6 | Very low | 124 Ų | 124 | 143.7 Ų | 143.7 | 81% | 0.805 | 79% | 0.791 | S | S | * | * | trans | -96.2 | 142.3 | 172.5 | 37.2 | -28.4 | 0 | 0 | 0 | 112.9 | ||||
| 104 | S | 48.5 | Very low | 49.6 | Very low | 120 Ų | 120 | 144.6 Ų | 144.6 | 84% | 0.839 | 80% | 0.796 | S | S | * | * | trans | -127.5 | 114.3 | 161.5 | -74.7 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 105 | D | 40 | Very low | 49.3 | Very low | 154 Ų | 154 | 144.8 Ų | 144.8 | 82% | 0.824 | 80% | 0.797 | S | S | * | * | 68.6 | 101 | 86.9 | -156.9 | 18.1 | 0 | 0 | 0 | 111.8 | |||||
| 106 | S | 52.5 | Low | 48.5 | Very low | 118 Ų | 118 | 138.8 Ų | 138.8 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | trans | 176.7 | 116.5 | 144.5 | -77.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 107 | A | 43.5 | Very low | 48.5 | Very low | 90 Ų | 90 | 138 Ų | 138 | 74% | 0.744 | 80% | 0.795 | S | S | * | * | trans | -59.3 | 143.4 | 165.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 108 | E | 46.5 | Very low | 48.2 | Very low | 188 Ų | 188 | 142.2 Ų | 142.2 | 88% | 0.879 | 80% | 0.801 | S | S | * | * | trans | -166 | 118.6 | 136.6 | -112.6 | 172.6 | 140 | 0 | 0 | 112.7 | ||||
| 109 | T | 41.5 | Very low | 48.4 | Very low | 133 Ų | 133 | 139.2 Ų | 139.2 | 82% | 0.816 | 80% | 0.797 | S | S | * | * | trans | -31.7 | 128.4 | 154.2 | 14.4 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 110 | S | 51.7 | Low | 48.4 | Very low | 106 Ų | 106 | 136.8 Ų | 136.8 | 74% | 0.741 | 80% | 0.803 | S | S | * | * | trans | 162.3 | 127.9 | 140.5 | 49 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 111 | K | 52.5 | Low | 48.7 | Very low | 201 Ų | 201 | 135 Ų | 135 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | -163.1 | 141.1 | 64.3 | -76.3 | -179.4 | 177.2 | 176.2 | 0 | 110.7 | |||||
| 112 | A | 42 | Very low | 49.6 | Very low | 84 Ų | 84 | 132.8 Ų | 132.8 | 69% | 0.694 | 79% | 0.789 | S | S | * | * | trans | -66.4 | 166.2 | 166.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 113 | D | 42 | Very low | 50.7 | Low | 147 Ų | 147 | 129.4 Ų | 129.4 | 79% | 0.786 | 77% | 0.773 | S | S | * | * | trans | 70.5 | 98.7 | 154.3 | -68.3 | -43 | 0 | 0 | 0 | 118.9 | ||||
| 114 | L | 55.9 | Low | 52.7 | Low | 171 Ų | 171 | 126.8 Ų | 126.8 | 90% | 0.895 | 75% | 0.753 | S | S | * | * | -144.3 | 89.4 | 129.5 | -74.2 | -173.9 | 0 | 0 | 0 | 110.3 | |||||
| 115 | S | 43.5 | Very low | 54.9 | Low | 98 Ų | 98 | 128 Ų | 128 | 69% | 0.685 | 74% | 0.739 | S | S | * | * | trans | 3.9 | 134.5 | 135.4 | 45.7 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 116 | A | 40.6 | Very low | 57.5 | Low | 101 Ų | 101 | 120.7 Ų | 120.7 | 84% | 0.835 | 70% | 0.7 | S | S | * | * | trans | 70.4 | 77.8 | 133.7 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 117 | S | 47.6 | Very low | 59.5 | Low | 106 Ų | 106 | 119 Ų | 119 | 74% | 0.741 | 69% | 0.685 | S | S | * | * | -148 | 117.2 | 122.3 | 70.4 | 0 | 0 | 0 | 0 | 109 | P119 | S117-P119 WeakPolarHBondContact O-CD 3.31Š| |||
| 118 | R | 51.8 | Low | 61.9 | Low | 247 Ų | 247 | 120.6 Ų | 120.6 | 93% | 0.932 | 67% | 0.672 | S | S | * | * | trans | -77.6 | 104.5 | 160.7 | -74.6 | 173.3 | 86.5 | -148.5 | 9.7 | 104.7 | V120 | R118-V120 PolarHBondContact O-N 3.45Š| ||
| 119 | P | 55.1 | Low | 64.2 | Low | 92 Ų | 92 | 114.1 Ų | 114.1 | 60% | 0.597 | 65% | 0.647 | S | S | * | * | trans | -63.1 | 126 | 169.3 | 27.5 | -31.8 | 0 | 0 | 0 | 106.1 | S117 L121 | S117-P119 WeakPolarHBondContact O-CD 3.31Å; P119-L121 PolarHBondContact O-N 3.14Å | ||
| 120 | V | 53.3 | Low | 66.7 | Low | 141 Ų | 141 | 117.1 Ų | 117.1 | 86% | 0.855 | 64% | 0.643 | S | S | * | * | trans | -41.6 | 111.9 | 165.8 | 175.5 | 0 | 0 | 0 | 0 | 106.2 | R118 G122 | R118-V120 PolarHBondContact O-N 3.45Å; V120-G122 PolarHBondContact O-N 3.29Å | ||
| 121 | L | 58 | Low | 68.7 | Low | 159 Ų | 159 | 118.2 Ų | 118.2 | 83% | 0.832 | 64% | 0.635 | S | S | * | * | trans | -66.3 | 85.4 | -173.9 | -65.9 | 178 | 0 | 0 | 0 | 107.9 | P119 V123 | P119-L121 PolarHBondContact O-N 3.14Å; L121-V123 PolarHBondContact O-N 3.29Å | ||
| 122 | G | 70.4 | Confident | 70.7 | Confident | 50 Ų | 50 | 118.1 Ų | 118.1 | 52% | 0.515 | 63% | 0.629 | S | S | . | * | P | Polyproline II helix | trans | -52.8 | 137.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | V120 N124 | V120-G122 PolarHBondContact O-N 3.29Å; G122-N124 PolarHBondContact O-N 3.23Å |
| 123 | V | 80.5 | Confident | 73.1 | Confident | 87 Ų | 87 | 114.5 Ų | 114.5 | 53% | 0.527 | 60% | 0.598 | S | S | . | * | P | Polyproline II helix | trans | -53.7 | 118.2 | -178.8 | -179.6 | 0 | 0 | 0 | 0 | 108.7 | L121 R125 R132 | L121-V123 PolarHBondContact O-N 3.29Å; V123-R125 WeakPolarHBondContact O-CG 3.46Å; V123-R125 PolarHBondContact O-N 2.83Å; V123-R125 VanDerWaalsContact O-N 3.16Å; V123-R132 HydrophobicContact CG1-CB 4.23Å; V123-R132 HydrophobicContact CG1-CG 3.83Å |
| 124 | N | 90.1 | Very high | 75.3 | Confident | 69 Ų | 69 | 109.1 Ų | 109.1 | 37% | 0.369 | 58% | 0.577 | S | S | . | * | P | Polyproline II helix | trans | -58.8 | 120.8 | 175.9 | -62.7 | -27.2 | 0 | 0 | 0 | 108.9 | G122 V133 G134 L145 | G122-N124 PolarHBondContact O-N 3.23Å; N124-V133 HydrophobicContact CB-CG2 3.69Å; N124-V133 VanDerWaalsContact O-CG2 3.32Å; N124-V133 WeakPolarHBondContact O-CG2 2.9Å; N124-V133 PolarHBondContact O-N 3.14Å; N124-G134 VanDerWaalsContact CB-O 3.3Å; N124-G134 WeakPolarHBondContact CB-O 3.42Å; N124-G134 PolarHBondContact ND2-O 3.21Å; N124-G134 PolarHBondContact O-N 2.92Å; N124-L145 HydrophobicContact CB-CD1 4.48Å |
| 125 | R | 93.3 | Very high | 76.8 | Confident | 145 Ų | 145 | 109.4 Ų | 109.4 | 55% | 0.547 | 58% | 0.579 | S | S | . | * | B | Isolated β-bridge | trans | -123.8 | 147.8 | 179.1 | -69.2 | 175.4 | -163.8 | -150 | 6 | 109.4 | V123 T127 K131 R132 | V123-R125 WeakPolarHBondContact O-CG 3.46Å; V123-R125 PolarHBondContact O-N 2.83Å; V123-R125 VanDerWaalsContact O-N 3.16Å; R125-T127 PolarHBondContact O-N 3.5Å; R125-K131 CarbonylContact C-O 3.53Å; R125-K131 VanDerWaalsContact CA-O 3.28Å; R125-K131 WeakPolarHBondContact CA-O 3.47Å; R125-R132 HydrophobicContact CG-CG 4.39Å |
| 126 | C | 95.4 | Very high | 79 | Confident | 2 Ų | 2 | 110 Ų | 110 | 1% | 0.014 | 58% | 0.578 | C | S | . | * | trans | -60.3 | 128.9 | 171.2 | 178.1 | 0 | 0 | 0 | 0 | 109.6 | W128 C129 R130 K131 V133 L145 C147 | C126-W128 VanDerWaalsContact C-N 3.28Å; C126-W128 PolarHBondContact O-N 3.42Å; C126-C129 VanDerWaalsContact CB-SG 3.57Å; C126-C129 PolarHBondContact SG-N 2.83Å; C126-R130 WeakPolarHBondContact O-CA 3.28Å; C126-R130 PolarHBondContact O-N 3.43Å; C126-K131 PolarHBondContact N-O 3.07Å; C126-V133 HydrophobicContact CB-CG1 4.07Å; C126-L145 CarbonylContact C-O 3.5Å; C126-L145 VanDerWaalsContact CA-O 3.23Å; C126-L145 WeakPolarHBondContact CA-O 3.17Å; C126-C147 HydrophobicContact CB-CB 4.19Å | ||
| 127 | T | 93.7 | Very high | 81.5 | Confident | 83 Ų | 83 | 106.3 Ų | 106.3 | 51% | 0.509 | 55% | 0.55 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -34 | 179.6 | 51.6 | 0 | 0 | 0 | 0 | 112.1 | R125 L145 F146 | R125-T127 PolarHBondContact O-N 3.5Å; T127-L145 PolarHBondContact N-O 2.86Å; T127-L145 PolarHBondContact OG1-O 2.67Å; T127-F146 WeakPolarHBondContact OG1-CD1 3.32Å; T127-F146 WeakPolarHBondContact OG1-CE1 3.39Å; T127-F146 WeakPolarHBondContact OG1-CZ 3.15Å |
| 128 | W | 94.7 | Very high | 83.8 | Confident | 123 Ų | 123 | 104.9 Ų | 104.9 | 47% | 0.466 | 53% | 0.531 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | -58.5 | 178.8 | -173.6 | -99.1 | 0 | 0 | 0 | 113.5 | C126 F146 H150 H156 E157 | C126-W128 VanDerWaalsContact C-N 3.28Å; C126-W128 PolarHBondContact O-N 3.42Å; W128-F146 HydrophobicContact CB-CD1 4.16Å; W128-F146 HydrophobicContact CB-CE1 4.08Å; W128-H150 HydrophobicContact CB-CB 4.35Å; W128-H150 AromaticContact CD1-CD2 3.24Å; W128-H150 AromaticContact CD1-CE1 3.73Å; W128-H150 AromaticContact CD1-CG 3.65Å; W128-H150 AromaticContact CD1-ND1 3.9Å; W128-H150 AromaticContact CD1-NE2 3.3Å; W128-H150 VanDerWaalsContact CD1-NE2 3.3Å; W128-H150 AromaticContact NE1-CD2 3.78Å; W128-H150 AromaticContact NE1-NE2 3.76Å; W128-H156 HydrophobicContact CB-CB 4.33Å; W128-H156 HydrophobicContact CD2-CB 4.29Å; W128-H156 HydrophobicContact CE3-CB 4.16Å; W128-H156 HydrophobicContact CG-CB 4.4Å; W128-E157 HydrophobicContact CH2-CB 4.48Å; W128-E157 HydrophobicContact CH2-CG 3.75Å; W128-E157 HydrophobicContact CZ3-CB 4.04Å; W128-E157 HydrophobicContact CZ3-CG 3.8Å |
| 129 | C | 95.5 | Very high | 85.8 | Confident | 52 Ų | 52 | 97 Ų | 97 | 35% | 0.351 | 52% | 0.518 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | -0.7 | -175.1 | 71.7 | 0 | 0 | 0 | 0 | 115.5 | C126 K131 C147 H150 | C126-C129 VanDerWaalsContact CB-SG 3.57Å; C126-C129 PolarHBondContact SG-N 2.83Å; C129-K131 PolarHBondContact O-N 3.33Å; C129-K131 WeakPolarHBondContact SG-CB 3.04Å; C129-C147 VanDerWaalsContact SG-SG 3.62Å; C129-H150 WeakPolarHBondContact CB-CE1 3.44Å; C129-H150 PolarHBondContact SG-CE1 2.88Å; C129-H150 PolarHBondContact SG-ND1 3.22Å |
| 130 | R | 92.8 | Very high | 87.8 | Confident | 196 Ų | 196 | 93.4 Ų | 93.4 | 74% | 0.74 | 50% | 0.495 | S | S | * | . | trans | 59.1 | 10.3 | -178.1 | -55 | -177.7 | -179.4 | -175.7 | 0.1 | 115.6 | C126 | C126-R130 WeakPolarHBondContact O-CA 3.28Å; C126-R130 PolarHBondContact O-N 3.43Å | ||
| 131 | K | 93.8 | Very high | 89.7 | Confident | 129 Ų | 129 | 92.4 Ų | 92.4 | 56% | 0.561 | 48% | 0.476 | S | S | * | . | trans | -61.2 | 136.9 | 173.1 | 179.3 | 165.2 | -78.4 | -154.7 | 0 | 110.1 | R125 C126 C129 V133 | R125-K131 CarbonylContact C-O 3.53Å; R125-K131 VanDerWaalsContact CA-O 3.28Å; R125-K131 WeakPolarHBondContact CA-O 3.47Å; C126-K131 PolarHBondContact N-O 3.07Å; C129-K131 PolarHBondContact O-N 3.33Å; C129-K131 WeakPolarHBondContact SG-CB 3.04Å; K131-V133 PolarHBondContact O-N 3.06Å | ||
| 132 | R | 93.9 | Very high | 91.4 | Very high | 199 Ų | 199 | 86.8 Ų | 86.8 | 75% | 0.751 | 45% | 0.45 | S | S | * | . | B | Isolated β-bridge | trans | -63.8 | 117.6 | 174.8 | -67.3 | -174.2 | -81.4 | -161.7 | -4.6 | 109.4 | V123 R125 | V123-R132 HydrophobicContact CG1-CB 4.23Å; V123-R132 HydrophobicContact CG1-CG 3.83Å; R125-R132 HydrophobicContact CG-CG 4.39Å |
| 133 | V | 93.3 | Very high | 92.5 | Very high | 8 Ų | 8 | 92 Ų | 92 | 5% | 0.048 | 47% | 0.465 | C | S | . | . | trans | -103.4 | -19.3 | 179.1 | -61.1 | 0 | 0 | 0 | 0 | 112.6 | N124 C126 K131 L135 T136 C147 | N124-V133 HydrophobicContact CB-CG2 3.69Å; N124-V133 VanDerWaalsContact O-CG2 3.32Å; N124-V133 WeakPolarHBondContact O-CG2 2.9Å; N124-V133 PolarHBondContact O-N 3.14Å; C126-V133 HydrophobicContact CB-CG1 4.07Å; K131-V133 PolarHBondContact O-N 3.06Å; V133-L135 PolarHBondContact O-N 3.2Å; V133-T136 PolarHBondContact O-N 2.97Å; V133-T136 PolarHBondContact O-OG1 2.96Å; V133-C147 HydrophobicContact CG1-CB 3.63Å | ||
| 134 | G | 87.8 | Confident | 93.1 | Very high | 33 Ų | 33 | 88.3 Ų | 88.3 | 34% | 0.34 | 45% | 0.445 | S | S | . | . | G | 310 helix | trans | 53.8 | -130.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | N124 T136 | N124-G134 VanDerWaalsContact CB-O 3.3Å; N124-G134 WeakPolarHBondContact CB-O 3.42Å; N124-G134 PolarHBondContact ND2-O 3.21Å; N124-G134 PolarHBondContact O-N 2.92Å; G134-T136 VanDerWaalsContact C-N 3.32Å |
| 135 | L | 87.2 | Confident | 93.3 | Very high | 178 Ų | 178 | 88 Ų | 88 | 93% | 0.932 | 44% | 0.443 | S | S | * | . | G | 310 helix | trans | -80.5 | -10.6 | 177.5 | -157.2 | 69.1 | 0 | 0 | 0 | 113.3 | V133 | V133-L135 PolarHBondContact O-N 3.2Š|
| 136 | T | 90.3 | Very high | 93.5 | Very high | 109 Ų | 109 | 81.4 Ų | 81.4 | 67% | 0.669 | 42% | 0.419 | S | S | * | . | G | 310 helix | trans | -97.8 | 16.9 | -176.8 | 61 | 0 | 0 | 0 | 0 | 113.1 | V133 G134 | V133-T136 PolarHBondContact O-N 2.97Å; V133-T136 PolarHBondContact O-OG1 2.96Å; G134-T136 VanDerWaalsContact C-N 3.32Å |
| 137 | G | 93.3 | Very high | 93.5 | Very high | 24 Ų | 24 | 81.8 Ų | 81.8 | 25% | 0.247 | 42% | 0.421 | C | S | . | . | P | Polyproline II helix | trans | -69.7 | 135.9 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 138 | F | 95.4 | Very high | 93.5 | Very high | 77 Ų | 77 | 81.7 Ų | 81.7 | 34% | 0.338 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 125.2 | 172.8 | -59.9 | -81.7 | 0 | 0 | 0 | 109.3 | F146 R151 | F138-F146 PolarHBondContact N-O 2.88Å; F138-F146 PolarHBondContact O-N 2.85Å; F138-R151 HydrophobicContact CB-CB 4.35Å; F138-R151 HydrophobicContact CB-CG 3.89Å; F138-R151 HydrophobicContact CD1-CG 4.38Å; F138-R151 HydrophobicContact CD2-CB 4.21Å; F138-R151 HydrophobicContact CD2-CG 4.23Å; F138-R151 HydrophobicContact CG-CB 4.35Å; F138-R151 HydrophobicContact CG-CG 3.91Å |
| 139 | A | 94.4 | Very high | 93.6 | Very high | 82 Ų | 82 | 81.2 Ų | 81.2 | 68% | 0.678 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 133.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | G144 L145 | A139-G144 WeakPolarHBondContact CA-O 3.25Å; A139-L145 HydrophobicContact CB-CD2 4.17Å |
| 140 | C | 95.7 | Very high | 93.6 | Very high | 16 Ų | 16 | 80.4 Ų | 80.4 | 11% | 0.108 | 42% | 0.421 | C | S | . | . | P | Polyproline II helix | trans | -96.5 | 163.5 | 170.7 | -168 | 0 | 0 | 0 | 0 | 110.7 | C142 D143 G144 F146 H156 Y162 | C140-C142 PolarHBondContact O-N 3.23Å; C140-C142 VanDerWaalsContact SG-SG 3.67Å; C140-D143 PolarHBondContact O-N 3.35Å; C140-D143 VanDerWaalsContact O-N 3.07Å; C140-G144 PolarHBondContact N-O 3.38Å; C140-F146 HydrophobicContact CB-CD2 3.75Å; C140-F146 HydrophobicContact CB-CE2 3.46Å; C140-F146 VanDerWaalsContact CB-CE2 3.46Å; C140-H156 PolarHBondContact SG-CE1 3.12Å; C140-H156 PolarHBondContact SG-NE2 3.12Å; C140-Y162 PolarHBondContact SG-OH 3.18Å; C140-Y162 VanDerWaalsContact SG-OH 3.36Å |
| 141 | R | 93.8 | Very high | 93.7 | Very high | 120 Ų | 120 | 76.9 Ų | 76.9 | 45% | 0.453 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -13.7 | 176.8 | -63.4 | -168.5 | -177.6 | -151.3 | 1.7 | 113.7 | D143 Y160 Y162 N165 E169 | R141-D143 PolarHBondContact O-N 3.46Å; R141-Y160 HydrophobicContact CB-CD1 3.68Å; R141-Y160 HydrophobicContact CB-CD2 3.8Å; R141-Y160 HydrophobicContact CB-CE1 3.78Å; R141-Y160 HydrophobicContact CB-CE2 3.9Å; R141-Y160 HydrophobicContact CB-CG 3.67Å; R141-Y160 HydrophobicContact CG-CD1 4.44Å; R141-Y160 HydrophobicContact CG-CE1 4.19Å; R141-Y160 PolarHBondContact NH1-OH 3.29Å; R141-Y160 VanDerWaalsContact O-CD2 3.32Å; R141-Y160 WeakPolarHBondContact O-CD2 3.42Å; R141-Y162 HydrophobicContact CG-CE1 4.29Å; R141-N165 PolarHBondContact NH1-ND2 2.82Å; R141-E169 IonicContact NH1-OE1 4Å; R141-E169 PolarHBondContact NH1-OE1 3.24Å; R141-E169 VanDerWaalsContact NH1-OE1 3.14Å; R141-E169 IonicContact NH2-OE1 3.65Å |
| 142 | C | 95.1 | Very high | 93.8 | Very high | 41 Ų | 41 | 76.8 Ų | 76.8 | 28% | 0.277 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 16.9 | 170.7 | 63.1 | 0 | 0 | 0 | 0 | 113.5 | C140 G144 H156 | C140-C142 PolarHBondContact O-N 3.23Å; C140-C142 VanDerWaalsContact SG-SG 3.67Å; C142-G144 PolarHBondContact O-N 3.31Å; C142-G144 VanDerWaalsContact O-N 3.12Å; C142-H156 PolarHBondContact SG-NE2 3.07Å |
| 143 | D | 91.7 | Very high | 93.8 | Very high | 159 Ų | 159 | 69.9 Ų | 69.9 | 85% | 0.85 | 39% | 0.387 | S | S | * | . | S | Bend | trans | 64.2 | 8.9 | -180 | -55 | -42.6 | 0 | 0 | 0 | 116.2 | C140 R141 | C140-D143 PolarHBondContact O-N 3.35Å; C140-D143 VanDerWaalsContact O-N 3.07Å; R141-D143 PolarHBondContact O-N 3.46Å |
| 144 | G | 93.3 | Very high | 93.8 | Very high | 10 Ų | 10 | 75.7 Ų | 75.7 | 10% | 0.103 | 42% | 0.418 | C | S | . | . | trans | -84.6 | 150.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114 | A139 C140 C142 F146 | A139-G144 WeakPolarHBondContact CA-O 3.25Å; C140-G144 PolarHBondContact N-O 3.38Å; C142-G144 PolarHBondContact O-N 3.31Å; C142-G144 VanDerWaalsContact O-N 3.12Å; G144-F146 VanDerWaalsContact C-CE2 3.42Å; G144-F146 WeakPolarHBondContact O-CD2 3.5Å; G144-F146 WeakPolarHBondContact O-CE2 3.27Å | ||
| 145 | L | 95.3 | Very high | 94.2 | Very high | 62 Ų | 62 | 77.2 Ų | 77.2 | 33% | 0.325 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 130.1 | 169.1 | -76 | 173 | 0 | 0 | 0 | 110.8 | N124 C126 T127 A139 | N124-L145 HydrophobicContact CB-CD1 4.48Å; C126-L145 CarbonylContact C-O 3.5Å; C126-L145 VanDerWaalsContact CA-O 3.23Å; C126-L145 WeakPolarHBondContact CA-O 3.17Å; T127-L145 PolarHBondContact N-O 2.86Å; T127-L145 PolarHBondContact OG1-O 2.67Å; A139-L145 HydrophobicContact CB-CD2 4.17Å |
| 146 | F | 96.6 | Very high | 94.5 | Very high | 7 Ų | 7 | 69 Ų | 69 | 3% | 0.031 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 157.3 | -173.8 | -58.8 | -87.3 | 0 | 0 | 0 | 113.1 | T127 W128 F138 C140 G144 H150 H156 | T127-F146 WeakPolarHBondContact OG1-CD1 3.32Å; T127-F146 WeakPolarHBondContact OG1-CE1 3.39Å; T127-F146 WeakPolarHBondContact OG1-CZ 3.15Å; W128-F146 HydrophobicContact CB-CD1 4.16Å; W128-F146 HydrophobicContact CB-CE1 4.08Å; F138-F146 PolarHBondContact N-O 2.88Å; F138-F146 PolarHBondContact O-N 2.85Å; C140-F146 HydrophobicContact CB-CD2 3.75Å; C140-F146 HydrophobicContact CB-CE2 3.46Å; C140-F146 VanDerWaalsContact CB-CE2 3.46Å; G144-F146 VanDerWaalsContact C-CE2 3.42Å; G144-F146 WeakPolarHBondContact O-CD2 3.5Å; G144-F146 WeakPolarHBondContact O-CE2 3.27Å; F146-H150 HydrophobicContact CB-CB 4.14Å; F146-H150 WeakPolarHBondContact CB-O 3.37Å; F146-H150 HydrophobicContact CD1-CB 3.92Å; F146-H150 WeakPolarHBondContact CD1-O 3.39Å; F146-H150 HydrophobicContact CG-CB 4.44Å; F146-H150 VanDerWaalsContact CG-O 3.25Å; F146-H150 WeakPolarHBondContact CG-O 2.86Å; F146-H156 HydrophobicContact CD1-CB 4.03Å; F146-H156 HydrophobicContact CE1-CB 3.4Å; F146-H156 AromaticContact CE1-CD2 3.71Å; F146-H156 AromaticContact CE1-CG 3.41Å; F146-H156 VanDerWaalsContact CE1-CG 3.41Å; F146-H156 AromaticContact CE1-ND1 3.97Å; F146-H156 AromaticContact CE2-CD2 3.87Å; F146-H156 AromaticContact CE2-NE2 3.78Å; F146-H156 HydrophobicContact CZ-CB 3.96Å; F146-H156 AromaticContact CZ-CD2 3.27Å; F146-H156 WeakPolarHBondContact CZ-CD2 3.23Å; F146-H156 AromaticContact CZ-CG 3.48Å; F146-H156 VanDerWaalsContact CZ-CG 3.48Å; F146-H156 AromaticContact CZ-ND1 4Å; F146-H156 AromaticContact CZ-NE2 3.69Å |
| 147 | C | 96.2 | Very high | 94.6 | Very high | 9 Ų | 9 | 71.9 Ų | 71.9 | 6% | 0.061 | 38% | 0.379 | C | S | . | . | trans | -79.5 | 171.5 | 170.2 | 62.7 | 0 | 0 | 0 | 0 | 110.9 | C126 C129 V133 L149 H150 R151 | C126-C147 HydrophobicContact CB-CB 4.19Å; C129-C147 VanDerWaalsContact SG-SG 3.62Å; V133-C147 HydrophobicContact CG1-CB 3.63Å; C147-L149 PolarHBondContact O-N 3.46Å; C147-L149 VanDerWaalsContact O-N 3.07Å; C147-H150 CarbonylContact O-C 3.55Å; C147-H150 PolarHBondContact O-N 3.16Å; C147-H150 PolarHBondContact SG-ND1 3.25Å; C147-R151 PolarHBondContact O-N 2.86Å; C147-R151 VanDerWaalsContact O-N 3.14Å | ||
| 148 | S | 93.9 | Very high | 94.7 | Very high | 82 Ų | 82 | 72.1 Ų | 72.1 | 57% | 0.573 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | -51.3 | -33.3 | 176.4 | 51.5 | 0 | 0 | 0 | 0 | 114.4 | ||
| 149 | L | 95.4 | Very high | 94.6 | Very high | 113 Ų | 113 | 73.2 Ų | 73.2 | 59% | 0.592 | 40% | 0.399 | S | S | * | . | G | 310 helix | trans | -84.6 | -8.6 | 179.6 | -60.7 | 177.6 | 0 | 0 | 0 | 115.5 | C147 Q155 | C147-L149 PolarHBondContact O-N 3.46Å; C147-L149 VanDerWaalsContact O-N 3.07Å; L149-Q155 PolarHBondContact O-OE1 3.38Å |
| 150 | H | 96.2 | Very high | 94.7 | Very high | 34 Ų | 34 | 72.4 Ų | 72.4 | 16% | 0.157 | 38% | 0.379 | C | S | . | . | G | 310 helix | trans | -126.1 | 21 | 176.8 | -57.5 | 112.4 | 0 | 0 | 0 | 111.2 | W128 C129 F146 C147 Y152 Q155 H156 | W128-H150 HydrophobicContact CB-CB 4.35Å; W128-H150 AromaticContact CD1-CD2 3.24Å; W128-H150 AromaticContact CD1-CE1 3.73Å; W128-H150 AromaticContact CD1-CG 3.65Å; W128-H150 AromaticContact CD1-ND1 3.9Å; W128-H150 AromaticContact CD1-NE2 3.3Å; W128-H150 VanDerWaalsContact CD1-NE2 3.3Å; W128-H150 AromaticContact NE1-CD2 3.78Å; W128-H150 AromaticContact NE1-NE2 3.76Å; C129-H150 WeakPolarHBondContact CB-CE1 3.44Å; C129-H150 PolarHBondContact SG-CE1 2.88Å; C129-H150 PolarHBondContact SG-ND1 3.22Å; F146-H150 HydrophobicContact CB-CB 4.14Å; F146-H150 WeakPolarHBondContact CB-O 3.37Å; F146-H150 HydrophobicContact CD1-CB 3.92Å; F146-H150 WeakPolarHBondContact CD1-O 3.39Å; F146-H150 HydrophobicContact CG-CB 4.44Å; F146-H150 VanDerWaalsContact CG-O 3.25Å; F146-H150 WeakPolarHBondContact CG-O 2.86Å; C147-H150 CarbonylContact O-C 3.55Å; C147-H150 PolarHBondContact O-N 3.16Å; C147-H150 PolarHBondContact SG-ND1 3.25Å; H150-Y152 VanDerWaalsContact C-N 3.34Å; H150-Q155 HydrophobicContact CB-CB 4.45Å; H150-Q155 PolarHBondContact CD2-O 3.46Å; H150-Q155 VanDerWaalsContact CD2-O 3.29Å; H150-H156 PolarHBondContact O-ND1 3.01Å |
| 151 | R | 95.1 | Very high | 94.7 | Very high | 122 Ų | 122 | 76 Ų | 76 | 46% | 0.46 | 40% | 0.398 | S | S | . | . | trans | -69.2 | -36.6 | -176 | 173.4 | -177.6 | 170.9 | -168 | -2.8 | 111.2 | F138 C147 | F138-R151 HydrophobicContact CB-CB 4.35Å; F138-R151 HydrophobicContact CB-CG 3.89Å; F138-R151 HydrophobicContact CD1-CG 4.38Å; F138-R151 HydrophobicContact CD2-CB 4.21Å; F138-R151 HydrophobicContact CD2-CG 4.23Å; F138-R151 HydrophobicContact CG-CB 4.35Å; F138-R151 HydrophobicContact CG-CG 3.91Å; C147-R151 PolarHBondContact O-N 2.86Å; C147-R151 VanDerWaalsContact O-N 3.14Å | ||
| 152 | Y | 95 | Very high | 94.7 | Very high | 127 Ų | 127 | 74.5 Ų | 74.5 | 50% | 0.498 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -85.9 | 151.4 | -173.8 | -56.9 | -73.3 | 0 | 0 | 0 | 111 | H150 D154 Q155 H156 | H150-Y152 VanDerWaalsContact C-N 3.34Å; Y152-D154 WeakPolarHBondContact CB-OD1 3.3Å; Y152-D154 PolarHBondContact O-N 3.36Å; Y152-Q155 PolarHBondContact O-N 2.9Å; Y152-H156 PolarHBondContact O-CE1 3.2Å; Y152-H156 VanDerWaalsContact O-CE1 3.31Å; Y152-H156 PolarHBondContact O-ND1 2.93Å |
| 153 | S | 94.4 | Very high | 94.8 | Very high | 55 Ų | 55 | 79.8 Ų | 79.8 | 39% | 0.385 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -12.5 | -173 | 52.3 | 0 | 0 | 0 | 0 | 115.1 | H156 C158 | S153-H156 CarbonylContact C-O 3.46Å; S153-C158 WeakPolarHBondContact O-CB 3.23Å |
| 154 | D | 94 | Very high | 95 | Very high | 130 Ų | 130 | 74.2 Ų | 74.2 | 70% | 0.695 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -23.6 | 172.8 | 59.6 | -39.6 | 0 | 0 | 0 | 112.2 | Y152 | Y152-D154 WeakPolarHBondContact CB-OD1 3.3Å; Y152-D154 PolarHBondContact O-N 3.36Å |
| 155 | Q | 95.2 | Very high | 95.1 | Very high | 64 Ų | 64 | 75.5 Ų | 75.5 | 30% | 0.299 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -13.6 | -176.4 | -62.8 | 173.9 | -22.6 | 0 | 0 | 113.3 | L149 H150 Y152 | L149-Q155 PolarHBondContact O-OE1 3.38Å; H150-Q155 HydrophobicContact CB-CB 4.45Å; H150-Q155 PolarHBondContact CD2-O 3.46Å; H150-Q155 VanDerWaalsContact CD2-O 3.29Å; Y152-Q155 PolarHBondContact O-N 2.9Å |
| 156 | H | 94 | Very high | 95.2 | Very high | 7 Ų | 7 | 73.7 Ų | 73.7 | 3% | 0.032 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -130.1 | 144.3 | 165.9 | 63.9 | -79.3 | 0 | 0 | 0 | 106.5 | W128 C140 C142 F146 H150 Y152 S153 C158 | W128-H156 HydrophobicContact CB-CB 4.33Å; W128-H156 HydrophobicContact CD2-CB 4.29Å; W128-H156 HydrophobicContact CE3-CB 4.16Å; W128-H156 HydrophobicContact CG-CB 4.4Å; C140-H156 PolarHBondContact SG-CE1 3.12Å; C140-H156 PolarHBondContact SG-NE2 3.12Å; C142-H156 PolarHBondContact SG-NE2 3.07Å; F146-H156 HydrophobicContact CD1-CB 4.03Å; F146-H156 HydrophobicContact CE1-CB 3.4Å; F146-H156 AromaticContact CE1-CD2 3.71Å; F146-H156 AromaticContact CE1-CG 3.41Å; F146-H156 VanDerWaalsContact CE1-CG 3.41Å; F146-H156 AromaticContact CE1-ND1 3.97Å; F146-H156 AromaticContact CE2-CD2 3.87Å; F146-H156 AromaticContact CE2-NE2 3.78Å; F146-H156 HydrophobicContact CZ-CB 3.96Å; F146-H156 AromaticContact CZ-CD2 3.27Å; F146-H156 WeakPolarHBondContact CZ-CD2 3.23Å; F146-H156 AromaticContact CZ-CG 3.48Å; F146-H156 VanDerWaalsContact CZ-CG 3.48Å; F146-H156 AromaticContact CZ-ND1 4Å; F146-H156 AromaticContact CZ-NE2 3.69Å; H150-H156 PolarHBondContact O-ND1 3.01Å; Y152-H156 PolarHBondContact O-CE1 3.2Å; Y152-H156 VanDerWaalsContact O-CE1 3.31Å; Y152-H156 PolarHBondContact O-ND1 2.93Å; S153-H156 CarbonylContact C-O 3.46Å; H156-C158 WeakPolarHBondContact NE2-CB 3.41Å; H156-C158 PolarHBondContact NE2-SG 3.5Å; H156-C158 PolarHBondContact O-N 2.96Å |
| 157 | E | 92.1 | Very high | 95.2 | Very high | 169 Ų | 169 | 81.5 Ų | 81.5 | 79% | 0.79 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | 81.6 | 175.9 | -69.4 | 166.8 | -173 | 0 | 0 | 110.2 | W128 A159 | W128-E157 HydrophobicContact CH2-CB 4.48Å; W128-E157 HydrophobicContact CH2-CG 3.75Å; W128-E157 HydrophobicContact CZ3-CB 4.04Å; W128-E157 HydrophobicContact CZ3-CG 3.8Å; E157-A159 PolarHBondContact O-N 2.91Å |
| 158 | C | 95.6 | Very high | 95.3 | Very high | 29 Ų | 29 | 85.5 Ų | 85.5 | 20% | 0.196 | 44% | 0.439 | C | S | . | . | trans | -75 | 113.5 | -171.1 | -166.2 | 0 | 0 | 0 | 0 | 109.8 | S153 H156 Y160 | S153-C158 WeakPolarHBondContact O-CB 3.23Å; H156-C158 WeakPolarHBondContact NE2-CB 3.41Å; H156-C158 PolarHBondContact NE2-SG 3.5Å; H156-C158 PolarHBondContact O-N 2.96Å; C158-Y160 PolarHBondContact O-N 2.66Å | ||
| 159 | A | 94.1 | Very high | 95.4 | Very high | 100 Ų | 100 | 85.8 Ų | 85.8 | 83% | 0.826 | 43% | 0.432 | S | S | * | . | trans | -74.1 | -0.6 | 177 | 0 | 0 | 0 | 0 | 0 | 114.1 | E157 | E157-A159 PolarHBondContact O-N 2.91Š| ||
| 160 | Y | 95.7 | Very high | 95.4 | Very high | 64 Ų | 64 | 85.9 Ų | 85.9 | 25% | 0.251 | 43% | 0.432 | S | S | . | . | trans | -85.8 | 125.4 | -176.1 | -176.7 | -94.3 | 0 | 0 | 0 | 111.8 | R141 C158 Y162 N165 | R141-Y160 HydrophobicContact CB-CD1 3.68Å; R141-Y160 HydrophobicContact CB-CD2 3.8Å; R141-Y160 HydrophobicContact CB-CE1 3.78Å; R141-Y160 HydrophobicContact CB-CE2 3.9Å; R141-Y160 HydrophobicContact CB-CG 3.67Å; R141-Y160 HydrophobicContact CG-CD1 4.44Å; R141-Y160 HydrophobicContact CG-CE1 4.19Å; R141-Y160 PolarHBondContact NH1-OH 3.29Å; R141-Y160 VanDerWaalsContact O-CD2 3.32Å; R141-Y160 WeakPolarHBondContact O-CD2 3.42Å; C158-Y160 PolarHBondContact O-N 2.66Å; Y160-Y162 AromaticContact CD1-CD1 3.83Å; Y160-Y162 HydrophobicContact CD1-CD1 3.83Å; Y160-Y162 AromaticContact CD1-CD2 3.86Å; Y160-Y162 HydrophobicContact CD1-CD2 3.86Å; Y160-Y162 AromaticContact CD1-CE1 3.83Å; Y160-Y162 HydrophobicContact CD1-CE1 3.83Å; Y160-Y162 AromaticContact CD1-CE2 3.84Å; Y160-Y162 HydrophobicContact CD1-CE2 3.84Å; Y160-Y162 AromaticContact CD1-CG 3.86Å; Y160-Y162 HydrophobicContact CD1-CG 3.86Å; Y160-Y162 AromaticContact CD1-CZ 3.83Å; Y160-Y162 AromaticContact CE1-CD1 3.9Å; Y160-Y162 HydrophobicContact CE1-CD1 3.9Å; Y160-Y162 HydrophobicContact CE1-CE1 4.11Å; Y160-Y162 HydrophobicContact CE1-CG 4.19Å; Y160-Y162 VanDerWaalsContact O-CD2 3.23Å; Y160-Y162 WeakPolarHBondContact O-CD2 3.3Å; Y160-Y162 PolarHBondContact O-N 3.36Å; Y160-Y162 VanDerWaalsContact O-N 3.12Å; Y160-N165 HydrophobicContact CE1-CB 4.12Å; Y160-N165 VanDerWaalsContact OH-CB 3.3Å; Y160-N165 WeakPolarHBondContact OH-CB 3.06Å; Y160-N165 PolarHBondContact OH-ND2 3.2Å; Y160-N165 PolarHBondContact OH-OD1 3.22Å | ||
| 161 | D | 95.7 | Very high | 95.4 | Very high | 93 Ų | 93 | 87.4 Ų | 87.4 | 50% | 0.497 | 45% | 0.451 | S | S | . | . | trans | -81.3 | 91.4 | 177.7 | -173.2 | -9.4 | 0 | 0 | 0 | 111.9 | Q163 A164 N165 | D161-Q163 PolarHBondContact O-N 3.19Å; D161-Q163 WeakPolarHBondContact OD1-CA 3.49Å; D161-Q163 WeakPolarHBondContact OD1-CB 3.19Å; D161-Q163 PolarHBondContact OD1-N 2.96Å; D161-A164 HydrophobicContact CB-CB 4.25Å; D161-A164 PolarHBondContact OD1-N 3.43Å; D161-A164 WeakPolarHBondContact OD2-CB 3.46Å; D161-N165 PolarHBondContact O-N 3.49Å | ||
| 162 | Y | 95 | Very high | 95.4 | Very high | 87 Ų | 87 | 90.8 Ų | 90.8 | 34% | 0.341 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63.3 | -28.2 | 175.5 | -68.7 | -86.9 | 0 | 0 | 0 | 113.4 | C140 R141 Y160 G166 | C140-Y162 PolarHBondContact SG-OH 3.18Å; C140-Y162 VanDerWaalsContact SG-OH 3.36Å; R141-Y162 HydrophobicContact CG-CE1 4.29Å; Y160-Y162 AromaticContact CD1-CD1 3.83Å; Y160-Y162 HydrophobicContact CD1-CD1 3.83Å; Y160-Y162 AromaticContact CD1-CD2 3.86Å; Y160-Y162 HydrophobicContact CD1-CD2 3.86Å; Y160-Y162 AromaticContact CD1-CE1 3.83Å; Y160-Y162 HydrophobicContact CD1-CE1 3.83Å; Y160-Y162 AromaticContact CD1-CE2 3.84Å; Y160-Y162 HydrophobicContact CD1-CE2 3.84Å; Y160-Y162 AromaticContact CD1-CG 3.86Å; Y160-Y162 HydrophobicContact CD1-CG 3.86Å; Y160-Y162 AromaticContact CD1-CZ 3.83Å; Y160-Y162 AromaticContact CE1-CD1 3.9Å; Y160-Y162 HydrophobicContact CE1-CD1 3.9Å; Y160-Y162 HydrophobicContact CE1-CE1 4.11Å; Y160-Y162 HydrophobicContact CE1-CG 4.19Å; Y160-Y162 VanDerWaalsContact O-CD2 3.23Å; Y160-Y162 WeakPolarHBondContact O-CD2 3.3Å; Y160-Y162 PolarHBondContact O-N 3.36Å; Y160-Y162 VanDerWaalsContact O-N 3.12Å; Y162-G166 WeakPolarHBondContact O-CA 3.5Å; Y162-G166 PolarHBondContact O-N 2.87Å |
| 163 | Q | 95.4 | Very high | 95.5 | Very high | 153 Ų | 153 | 88.3 Ų | 88.3 | 72% | 0.715 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -75.2 | -47.9 | -176.3 | -60.7 | -175.5 | 1.2 | 0 | 0 | 110.9 | D161 G166 R167 | D161-Q163 PolarHBondContact O-N 3.19Å; D161-Q163 WeakPolarHBondContact OD1-CA 3.49Å; D161-Q163 WeakPolarHBondContact OD1-CB 3.19Å; D161-Q163 PolarHBondContact OD1-N 2.96Å; Q163-G166 PolarHBondContact O-N 3.14Å; Q163-R167 WeakPolarHBondContact O-CB 3.32Å; Q163-R167 PolarHBondContact O-N 2.91Å |
| 164 | A | 96.5 | Very high | 95.5 | Very high | 41 Ų | 41 | 91 Ų | 91 | 34% | 0.339 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.3 | -45.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | D161 R167 L168 | D161-A164 HydrophobicContact CB-CB 4.25Å; D161-A164 PolarHBondContact OD1-N 3.43Å; D161-A164 WeakPolarHBondContact OD2-CB 3.46Å; A164-R167 PolarHBondContact O-N 3.41Å; A164-L168 PolarHBondContact O-N 3.45Å |
| 165 | N | 96.3 | Very high | 95.5 | Very high | 37 Ų | 37 | 89.8 Ų | 89.8 | 20% | 0.198 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -66.6 | -41 | 178.3 | -176.2 | 81.6 | 0 | 0 | 0 | 112.2 | R141 Y160 D161 R167 L168 E169 | R141-N165 PolarHBondContact NH1-ND2 2.82Å; Y160-N165 HydrophobicContact CE1-CB 4.12Å; Y160-N165 VanDerWaalsContact OH-CB 3.3Å; Y160-N165 WeakPolarHBondContact OH-CB 3.06Å; Y160-N165 PolarHBondContact OH-ND2 3.2Å; Y160-N165 PolarHBondContact OH-OD1 3.22Å; D161-N165 PolarHBondContact O-N 3.49Å; N165-R167 VanDerWaalsContact C-N 3.31Å; N165-R167 PolarHBondContact O-N 3.34Å; N165-L168 PolarHBondContact O-N 2.89Å; N165-L168 VanDerWaalsContact O-N 3.16Å; N165-E169 VanDerWaalsContact ND2-CD 3.29Å; N165-E169 PolarHBondContact ND2-OE1 3.36Å; N165-E169 WeakPolarHBondContact O-CG 3.31Å; N165-E169 PolarHBondContact O-N 2.88Å |
| 166 | G | 96.4 | Very high | 95.2 | Very high | 24 Ų | 24 | 93.4 Ų | 93.4 | 25% | 0.247 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -60.6 | -39.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y162 Q163 E169 L170 | Y162-G166 WeakPolarHBondContact O-CA 3.5Å; Y162-G166 PolarHBondContact O-N 2.87Å; Q163-G166 PolarHBondContact O-N 3.14Å; G166-E169 PolarHBondContact O-N 3.16Å; G166-L170 WeakPolarHBondContact O-CB 3.49Å; G166-L170 VanDerWaalsContact O-CG 3.31Å; G166-L170 WeakPolarHBondContact O-CG 3.45Å; G166-L170 PolarHBondContact O-N 3.04Å |
| 167 | R | 97.7 | Very high | 95.1 | Very high | 171 Ų | 171 | 99.5 Ų | 99.5 | 65% | 0.645 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.2 | -41.9 | 173.9 | -170.4 | -173.8 | -59.4 | 127.8 | 3.7 | 111.9 | Q163 A164 N165 A171 | Q163-R167 WeakPolarHBondContact O-CB 3.32Å; Q163-R167 PolarHBondContact O-N 2.91Å; A164-R167 PolarHBondContact O-N 3.41Å; N165-R167 VanDerWaalsContact C-N 3.31Å; N165-R167 PolarHBondContact O-N 3.34Å; R167-A171 VanDerWaalsContact O-CB 3.23Å; R167-A171 WeakPolarHBondContact O-CB 3.23Å; R167-A171 PolarHBondContact O-N 2.98Å |
| 168 | L | 96.6 | Very high | 95 | Very high | 93 Ų | 93 | 100.6 Ų | 100.6 | 49% | 0.487 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.2 | -43.8 | 178.2 | -177.3 | 65.8 | 0 | 0 | 0 | 111.7 | A164 N165 A171 R172 | A164-L168 PolarHBondContact O-N 3.45Å; N165-L168 PolarHBondContact O-N 2.89Å; N165-L168 VanDerWaalsContact O-N 3.16Å; L168-A171 PolarHBondContact O-N 3.35Å; L168-R172 WeakPolarHBondContact O-CB 3.37Å; L168-R172 PolarHBondContact O-N 3.29Å |
| 169 | E | 96.5 | Very high | 94.5 | Very high | 88 Ų | 88 | 104.8 Ų | 104.8 | 41% | 0.411 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -60.6 | -46.9 | 176.1 | -75.6 | 177.7 | -168.6 | 0 | 0 | 111.1 | R141 N165 G166 R172 A173 | R141-E169 IonicContact NH1-OE1 4Å; R141-E169 PolarHBondContact NH1-OE1 3.24Å; R141-E169 VanDerWaalsContact NH1-OE1 3.14Å; R141-E169 IonicContact NH2-OE1 3.65Å; N165-E169 VanDerWaalsContact ND2-CD 3.29Å; N165-E169 PolarHBondContact ND2-OE1 3.36Å; N165-E169 WeakPolarHBondContact O-CG 3.31Å; N165-E169 PolarHBondContact O-N 2.88Å; G166-E169 PolarHBondContact O-N 3.16Å; E169-R172 PolarHBondContact O-N 2.95Å; E169-A173 WeakPolarHBondContact O-CB 3.4Å; E169-A173 PolarHBondContact O-N 2.7Å |
| 170 | L | 95.9 | Very high | 94.2 | Very high | 115 Ų | 115 | 105.6 Ų | 105.6 | 60% | 0.602 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -64.3 | -43.3 | 176.2 | -71.6 | 173.3 | 0 | 0 | 0 | 112.4 | G166 R172 A173 N174 | G166-L170 WeakPolarHBondContact O-CB 3.49Å; G166-L170 VanDerWaalsContact O-CG 3.31Å; G166-L170 WeakPolarHBondContact O-CG 3.45Å; G166-L170 PolarHBondContact O-N 3.04Å; L170-R172 VanDerWaalsContact C-N 3.25Å; L170-R172 PolarHBondContact O-N 3.4Å; L170-A173 PolarHBondContact O-N 2.92Å; L170-A173 VanDerWaalsContact O-N 3.16Å; L170-N174 PolarHBondContact O-N 3.16Å; L170-N174 PolarHBondContact O-OD1 2.95Å |
| 171 | A | 95.3 | Very high | 93.9 | Very high | 66 Ų | 66 | 112.3 Ų | 112.3 | 55% | 0.545 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -61.3 | -36.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | R167 L168 | R167-A171 VanDerWaalsContact O-CB 3.23Å; R167-A171 WeakPolarHBondContact O-CB 3.23Å; R167-A171 PolarHBondContact O-N 2.98Å; L168-A171 PolarHBondContact O-N 3.35Å |
| 172 | R | 95.9 | Very high | 93.4 | Very high | 193 Ų | 193 | 115.5 Ų | 115.5 | 73% | 0.728 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -71.5 | -34.7 | 175 | -177.2 | 179.6 | -72.2 | 147.1 | -2.8 | 112.5 | L168 E169 L170 | L168-R172 WeakPolarHBondContact O-CB 3.37Å; L168-R172 PolarHBondContact O-N 3.29Å; E169-R172 PolarHBondContact O-N 2.95Å; L170-R172 VanDerWaalsContact C-N 3.25Å; L170-R172 PolarHBondContact O-N 3.4Å |
| 173 | A | 97 | Very high | 92.7 | Very high | 75 Ų | 75 | 122.3 Ų | 122.3 | 62% | 0.62 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -84.5 | -21.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | E169 L170 P175 | E169-A173 WeakPolarHBondContact O-CB 3.4Å; E169-A173 PolarHBondContact O-N 2.7Å; L170-A173 PolarHBondContact O-N 2.92Å; L170-A173 VanDerWaalsContact O-N 3.16Å; A173-P175 WeakPolarHBondContact O-CD 3.38Å |
| 174 | N | 94.1 | Very high | 92.1 | Very high | 112 Ų | 112 | 125 Ų | 125 | 60% | 0.599 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -62.7 | 119.9 | -178.9 | -80.5 | -12.1 | 0 | 0 | 0 | 111 | L170 | L170-N174 PolarHBondContact O-N 3.16Å; L170-N174 PolarHBondContact O-OD1 2.95Å |
| 175 | P | 94 | Very high | 91.1 | Very high | 104 Ų | 104 | 134.3 Ų | 134.3 | 68% | 0.675 | 68% | 0.678 | S | S | * | * | trans | -65.9 | 145.4 | 174.4 | 28.6 | -34 | 0 | 0 | 0 | 109.8 | A173 V177 | A173-P175 WeakPolarHBondContact O-CD 3.38Å; P175-V177 PolarHBondContact O-N 3.2Å; P175-V177 VanDerWaalsContact O-N 3.14Å | ||
| 176 | E | 90.1 | Very high | 90.9 | Very high | 140 Ų | 140 | 139.2 Ų | 139.2 | 65% | 0.654 | 70% | 0.702 | S | S | * | * | trans | -73.5 | 109.7 | 174.8 | -169.3 | 177.5 | -158.4 | 0 | 0 | 110.1 | R178 | E176-R178 VanDerWaalsContact CD-NH2 3.31Å; E176-R178 HydrophobicContact CG-CG 4.06Å; E176-R178 PolarHBondContact O-N 3.43Å; E176-R178 IonicContact OE1-CZ 3.03Å; E176-R178 IonicContact OE1-NE 2.69Å; E176-R178 PolarHBondContact OE1-NE 3.49Å; E176-R178 IonicContact OE1-NH2 2.66Å; E176-R178 PolarHBondContact OE1-NH2 3.14Å; E176-R178 IonicContact OE2-CZ 3.41Å; E176-R178 IonicContact OE2-NE 3.43Å; E176-R178 PolarHBondContact OE2-NE 2.66Å; E176-R178 IonicContact OE2-NH2 3.2Å; E176-R178 PolarHBondContact OE2-NH2 2.69Å | ||
| 177 | V | 92.1 | Very high | 90.6 | Very high | 135 Ų | 135 | 145.3 Ų | 145.3 | 82% | 0.818 | 73% | 0.726 | S | S | * | * | trans | -92.7 | 100.7 | 175.7 | -176.5 | 0 | 0 | 0 | 0 | 109 | P175 | P175-V177 PolarHBondContact O-N 3.2Å; P175-V177 VanDerWaalsContact O-N 3.14Å | ||
| 178 | R | 88.6 | Confident | 90.2 | Very high | 193 Ų | 193 | 143.8 Ų | 143.8 | 73% | 0.728 | 73% | 0.73 | S | S | * | * | trans | -109.4 | 124 | 169.1 | -68 | -175.1 | -177.4 | 166.5 | 11.2 | 110.1 | E176 | E176-R178 VanDerWaalsContact CD-NH2 3.31Å; E176-R178 HydrophobicContact CG-CG 4.06Å; E176-R178 PolarHBondContact O-N 3.43Å; E176-R178 IonicContact OE1-CZ 3.03Å; E176-R178 IonicContact OE1-NE 2.69Å; E176-R178 PolarHBondContact OE1-NE 3.49Å; E176-R178 IonicContact OE1-NH2 2.66Å; E176-R178 PolarHBondContact OE1-NH2 3.14Å; E176-R178 IonicContact OE2-CZ 3.41Å; E176-R178 IonicContact OE2-NE 3.43Å; E176-R178 PolarHBondContact OE2-NE 2.66Å; E176-R178 IonicContact OE2-NH2 3.2Å; E176-R178 PolarHBondContact OE2-NH2 2.69Å | ||
| 179 | C | 86.3 | Confident | 89.8 | Confident | 116 Ų | 116 | 146.8 Ų | 146.8 | 78% | 0.784 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 144.5 | 166.8 | 60.9 | 0 | 0 | 0 | 0 | 110.6 | ||
| 180 | P | 87.2 | Confident | 89.4 | Confident | 118 Ų | 118 | 150.5 Ų | 150.5 | 77% | 0.766 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 139 | 172.8 | 26.2 | -32 | 0 | 0 | 0 | 110.5 | I182 | P180-I182 PolarHBondContact O-N 3.41Š|
| 181 | K | 89.5 | Confident | 89 | Confident | 205 Ų | 205 | 152.9 Ų | 152.9 | 89% | 0.891 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 117 | 176.2 | -173.8 | 176.5 | -177.6 | 178.4 | 0 | 109.7 | R183 | K181-R183 PolarHBondContact O-N 3.21Š|
| 182 | I | 85.1 | Confident | 88.5 | Confident | 160 Ų | 160 | 159.1 Ų | 159.1 | 82% | 0.821 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -63 | 128.5 | 175.5 | -58.1 | 170.8 | 0 | 0 | 0 | 108.9 | P180 | P180-I182 PolarHBondContact O-N 3.41Š|
| 183 | R | 79.9 | Confident | 87.9 | Confident | 229 Ų | 229 | 156.5 Ų | 156.5 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 133.9 | 170.5 | -66.7 | -175.8 | 177.7 | -177.9 | -0.4 | 108.4 | K181 L185 | K181-R183 PolarHBondContact O-N 3.21Å; R183-L185 PolarHBondContact O-N 3.34Å |
| 184 | K | 82.2 | Confident | 87.2 | Confident | 210 Ų | 210 | 163.3 Ų | 163.3 | 91% | 0.913 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 123.3 | 175.1 | -159.3 | 171 | -177.2 | -179.7 | 0 | 108.1 | ||
| 185 | L | 77.1 | Confident | 86.6 | Confident | 237 Ų | 237 | 167.9 Ų | 167.9 | 100% | 1.241 | 83% | 0.832 | S | S | * | * | trans | -70.2 | 0 | 168.1 | -76.5 | 160.2 | 0 | 0 | 0 | 110.2 | R183 | R183-L185 PolarHBondContact O-N 3.34Š|
Retrieved 185 of 185 residues in 156.4 ms
(Link to these results)