| 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 | 42 | Very low | 48.7 | Very low | 231 Ų | 231 | 155.3 Ų | 155.3 | 100% | 1.138 | 84% | 0.841 | S | S | * | * | 0 | 83.8 | 0 | -77.1 | -65.6 | -175.1 | 0 | 0 | 104.9 | A3 | M1-A3 PolarHBondContact O-N 3.33Š| |||
| 2 | D | 41 | Very low | 49.7 | Very low | 162 Ų | 162 | 157.3 Ų | 157.3 | 87% | 0.866 | 84% | 0.841 | S | S | * | * | trans | -81.6 | 114 | -174.2 | -54.9 | -44.7 | 0 | 0 | 0 | 107.5 | S4 | D2-S4 PolarHBondContact O-N 3.48Š| ||
| 3 | A | 47.2 | Very low | 50.9 | Low | 107 Ų | 107 | 152.1 Ų | 152.1 | 88% | 0.884 | 83% | 0.833 | S | S | * | * | trans | -81 | 104.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | M1 | M1-A3 PolarHBondContact O-N 3.33Š| ||
| 4 | S | 47.8 | Very low | 52.7 | Low | 109 Ų | 109 | 155.2 Ų | 155.2 | 76% | 0.762 | 83% | 0.834 | S | S | * | * | trans | -71.1 | 133.4 | 178.4 | 49.7 | 0 | 0 | 0 | 0 | 112 | D2 | D2-S4 PolarHBondContact O-N 3.48Š| ||
| 5 | S | 54.6 | Low | 54 | Low | 103 Ų | 103 | 151.9 Ų | 151.9 | 72% | 0.72 | 82% | 0.824 | S | S | * | * | trans | -32.2 | 125.1 | 161.5 | 52.5 | 0 | 0 | 0 | 0 | 116 | ||||
| 6 | E | 46.4 | Very low | 55.7 | Low | 181 Ų | 181 | 147.1 Ų | 147.1 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | trans | -136.6 | 68 | 143.5 | -70.7 | -171.9 | -177.5 | 0 | 0 | 107.9 | Q8 | E6-Q8 VanDerWaalsContact C-N 3.28Å; E6-Q8 PolarHBondContact O-N 2.96Å | ||
| 7 | D | 47.3 | Very low | 57 | Low | 151 Ų | 151 | 147.3 Ų | 147.3 | 81% | 0.807 | 80% | 0.803 | S | S | * | * | trans | -59.4 | 102.9 | 154.3 | -79.9 | -29.8 | 0 | 0 | 0 | 105.9 | T9 | D7-T9 VanDerWaalsContact C-N 3.34Å; D7-T9 PolarHBondContact O-N 2.74Å | ||
| 8 | Q | 50.2 | Low | 58.1 | Low | 174 Ų | 174 | 146.5 Ų | 146.5 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | trans | -56.8 | 102.9 | 173.1 | -68.2 | -177.8 | -1 | 0 | 0 | 107.2 | E6 K10 | E6-Q8 VanDerWaalsContact C-N 3.28Å; E6-Q8 PolarHBondContact O-N 2.96Å; Q8-K10 PolarHBondContact O-N 2.83Å | ||
| 9 | T | 46.5 | Very low | 59 | Low | 126 Ų | 126 | 142.6 Ų | 142.6 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | trans | -60.9 | 87.1 | 165 | 44.4 | 0 | 0 | 0 | 0 | 107 | D7 E11 | D7-T9 VanDerWaalsContact C-N 3.34Å; D7-T9 PolarHBondContact O-N 2.74Å; T9-E11 PolarHBondContact O-N 2.8Å | ||
| 10 | K | 54.4 | Low | 59.9 | Low | 189 Ų | 189 | 143.1 Ų | 143.1 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | trans | -61 | 90.5 | 154 | -98.8 | 178.2 | 176.7 | 172.1 | 0 | 104.9 | Q8 E12 | Q8-K10 PolarHBondContact O-N 2.83Å; K10-E12 PolarHBondContact O-N 2.96Å | ||
| 11 | E | 58.8 | Low | 60.6 | Low | 175 Ų | 175 | 141.5 Ų | 141.5 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | -52.4 | 113.6 | 162.7 | -69.3 | -172.2 | 165.6 | 0 | 0 | 106 | T9 A13 | T9-E11 PolarHBondContact O-N 2.8Å; E11-A13 PolarHBondContact O-N 2.73Å | ||
| 12 | E | 60.3 | Low | 62 | Low | 180 Ų | 180 | 134.1 Ų | 134.1 | 84% | 0.841 | 74% | 0.743 | S | S | * | * | trans | -65 | 86.3 | 172.3 | -67.1 | -173 | 165.7 | 0 | 0 | 106.6 | K10 K14 | K10-E12 PolarHBondContact O-N 2.96Å; E12-K14 VanDerWaalsContact C-N 3.3Å; E12-K14 PolarHBondContact O-N 2.84Å | ||
| 13 | A | 65.5 | Low | 63.4 | Low | 89 Ų | 89 | 132.8 Ų | 132.8 | 74% | 0.736 | 74% | 0.744 | S | S | * | * | trans | -57.8 | 100.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 106.3 | E11 P15 | E11-A13 PolarHBondContact O-N 2.73Å; A13-P15 WeakPolarHBondContact O-CD 3.14Å | ||
| 14 | K | 75.7 | Confident | 64.4 | Low | 196 Ų | 196 | 131.2 Ų | 131.2 | 85% | 0.852 | 72% | 0.718 | S | S | * | * | trans | -57.7 | 111.7 | -178.5 | -68.5 | -178.8 | -177.1 | 175.5 | 0 | 106.9 | E12 S16 | E12-K14 VanDerWaalsContact C-N 3.3Å; E12-K14 PolarHBondContact O-N 2.84Å; K14-S16 PolarHBondContact O-N 3.32Å | ||
| 15 | P | 72.3 | Confident | 65.5 | Low | 105 Ų | 105 | 134.7 Ų | 134.7 | 68% | 0.682 | 72% | 0.715 | S | S | * | * | trans | -59.6 | 134.5 | -177.8 | 21 | -29.5 | 0 | 0 | 0 | 108.3 | A13 S19 | A13-P15 WeakPolarHBondContact O-CD 3.14Å; P15-S19 VanDerWaalsContact CB-OG 3.23Å; P15-S19 WeakPolarHBondContact CB-OG 3.5Å | ||
| 16 | S | 80.9 | Confident | 66.5 | Low | 75 Ų | 75 | 138.1 Ų | 138.1 | 52% | 0.524 | 72% | 0.716 | S | S | . | * | trans | -57.1 | 145.4 | 173.8 | 69.1 | 0 | 0 | 0 | 0 | 108.9 | K14 L18 S19 | K14-S16 PolarHBondContact O-N 3.32Å; S16-L18 PolarHBondContact O-N 3.03Å; S16-S19 PolarHBondContact N-OG 3.27Å; S16-S19 WeakPolarHBondContact O-CB 3.44Å; S16-S19 PolarHBondContact O-N 3.45Å; S16-S19 PolarHBondContact O-OG 3.24Å; S16-S19 PolarHBondContact OG-N 3.25Å | ||
| 17 | I | 78.9 | Confident | 68.2 | Low | 151 Ų | 151 | 135 Ų | 135 | 77% | 0.774 | 70% | 0.702 | S | S | * | * | G | 310 helix | trans | -53.3 | -32.7 | 179.5 | -67 | 168.1 | 0 | 0 | 0 | 111.2 | S19 L20 | I17-S19 VanDerWaalsContact C-N 3.3Å; I17-S19 PolarHBondContact O-N 3.03Å; I17-L20 WeakPolarHBondContact O-CB 3.39Å; I17-L20 PolarHBondContact O-N 3.47Å |
| 18 | L | 75.7 | Confident | 69.9 | Low | 133 Ų | 133 | 131.3 Ų | 131.3 | 70% | 0.696 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -67.8 | -26.2 | 178.2 | -60.9 | 176.9 | 0 | 0 | 0 | 113.6 | S16 L20 I21 | S16-L18 PolarHBondContact O-N 3.03Å; L18-L20 VanDerWaalsContact C-N 3.27Å; L18-L20 PolarHBondContact O-N 3.02Å; L18-I21 HydrophobicContact CD2-CD1 4.1Å; L18-I21 WeakPolarHBondContact O-CB 3.23Å; L18-I21 PolarHBondContact O-N 3.4Å |
| 19 | S | 75.3 | Confident | 71.4 | Confident | 72 Ų | 72 | 126.7 Ų | 126.7 | 50% | 0.503 | 66% | 0.663 | S | S | . | * | G | 310 helix | trans | -74.1 | -17.5 | 176.1 | 68 | 0 | 0 | 0 | 0 | 113.5 | P15 S16 I17 I21 | P15-S19 VanDerWaalsContact CB-OG 3.23Å; P15-S19 WeakPolarHBondContact CB-OG 3.5Å; S16-S19 PolarHBondContact N-OG 3.27Å; S16-S19 WeakPolarHBondContact O-CB 3.44Å; S16-S19 PolarHBondContact O-N 3.45Å; S16-S19 PolarHBondContact O-OG 3.24Å; S16-S19 PolarHBondContact OG-N 3.25Å; I17-S19 VanDerWaalsContact C-N 3.3Å; I17-S19 PolarHBondContact O-N 3.03Å; S19-I21 VanDerWaalsContact C-N 3.29Å |
| 20 | L | 76.6 | Confident | 73.1 | Confident | 153 Ų | 153 | 128.7 Ų | 128.7 | 80% | 0.801 | 66% | 0.664 | S | S | * | * | G | 310 helix | trans | -75.6 | -22.1 | 172.4 | -164.6 | 69.7 | 0 | 0 | 0 | 111.8 | I17 L18 S22 | I17-L20 WeakPolarHBondContact O-CB 3.39Å; I17-L20 PolarHBondContact O-N 3.47Å; L18-L20 VanDerWaalsContact C-N 3.27Å; L18-L20 PolarHBondContact O-N 3.02Å; L20-S22 PolarHBondContact O-N 2.63Å |
| 21 | I | 76.1 | Confident | 74.4 | Confident | 110 Ų | 110 | 126 Ų | 126 | 56% | 0.564 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -77.5 | 110.3 | 176.2 | -55.7 | 174.4 | 0 | 0 | 0 | 107.6 | L18 S19 | L18-I21 HydrophobicContact CD2-CD1 4.1Å; L18-I21 WeakPolarHBondContact O-CB 3.23Å; L18-I21 PolarHBondContact O-N 3.4Å; S19-I21 VanDerWaalsContact C-N 3.29Å |
| 22 | S | 69.9 | Low | 75.3 | Confident | 75 Ų | 75 | 118.9 Ų | 118.9 | 52% | 0.524 | 63% | 0.625 | S | S | . | * | trans | -56.4 | 126.6 | 174.7 | -70.2 | 0 | 0 | 0 | 0 | 109.6 | L20 Q24 | L20-S22 PolarHBondContact O-N 2.63Å; S22-Q24 PolarHBondContact O-N 3.49Å; S22-Q24 VanDerWaalsContact O-N 3.12Å | ||
| 23 | P | 70.2 | Confident | 76.1 | Confident | 134 Ų | 134 | 116.1 Ų | 116.1 | 87% | 0.87 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -67.2 | -14.8 | -179.9 | 26.5 | -34.2 | 0 | 0 | 0 | 112.4 | ||
| 24 | Q | 69.8 | Low | 76.6 | Confident | 75 Ų | 75 | 114 Ų | 114 | 35% | 0.35 | 58% | 0.582 | S | S | . | * | S | Bend | trans | -108.3 | 133.5 | 178.2 | -62.7 | -178.7 | -11 | 0 | 0 | 110.3 | S22 K26 E42 | S22-Q24 PolarHBondContact O-N 3.49Å; S22-Q24 VanDerWaalsContact O-N 3.12Å; Q24-K26 PolarHBondContact O-N 2.85Å; Q24-E42 PolarHBondContact NE2-OE1 2.63Å |
| 25 | R | 71.1 | Confident | 76.7 | Confident | 182 Ų | 182 | 106.1 Ų | 106.1 | 69% | 0.687 | 55% | 0.549 | S | S | * | . | trans | -77.7 | 116.3 | 164.6 | -70 | -174.2 | 178 | -179.6 | -2.2 | 108.5 | ||||
| 26 | K | 74.6 | Confident | 76.9 | Confident | 175 Ų | 175 | 102.3 Ų | 102.3 | 76% | 0.761 | 53% | 0.525 | S | S | * | . | trans | -96.5 | 2.8 | 175.3 | -62.6 | -176.2 | -179.3 | 180 | 0 | 113.1 | Q24 | Q24-K26 PolarHBondContact O-N 2.85Š| ||
| 27 | E | 82 | Confident | 76.8 | Confident | 114 Ų | 114 | 106.5 Ų | 106.5 | 53% | 0.533 | 53% | 0.534 | S | S | . | . | S | Bend | trans | -68.5 | 152 | -176.7 | -70 | 175 | -175.3 | 0 | 0 | 111.8 | M31 | E27-M31 HydrophobicContact CB-CB 4.15Å; E27-M31 HydrophobicContact CB-SD 4.32Å; E27-M31 HydrophobicContact CG-SD 4.26Å |
| 28 | P | 84.1 | Confident | 76.5 | Confident | 74 Ų | 74 | 102.5 Ų | 102.5 | 48% | 0.481 | 52% | 0.523 | S | S | . | . | trans | -62.3 | 156.3 | 174.8 | 28.3 | -35.5 | 0 | 0 | 0 | 111.1 | E30 M31 | P28-E30 PolarHBondContact O-N 3.46Å; P28-M31 HydrophobicContact CG-CG 4.06Å; P28-M31 HydrophobicContact CG-SD 4.1Å; P28-M31 PolarHBondContact O-N 3.3Å | ||
| 29 | K | 81.2 | Confident | 76.2 | Confident | 78 Ų | 78 | 103.2 Ų | 103.2 | 34% | 0.339 | 52% | 0.521 | S | S | . | . | G | 310 helix | trans | -45.9 | -39.8 | 177.6 | -156.3 | -161.2 | -162.2 | -135.9 | 0 | 112.6 | M31 C32 N35 S36 K37 | K29-M31 VanDerWaalsContact C-N 3.27Å; K29-M31 PolarHBondContact O-N 2.96Å; K29-C32 WeakPolarHBondContact O-CB 2.82Å; K29-C32 PolarHBondContact O-N 2.64Å; K29-C32 VanDerWaalsContact O-N 3.08Å; K29-N35 WeakPolarHBondContact CD-O 3.33Å; K29-N35 WeakPolarHBondContact CD-OD1 3.38Å; K29-N35 WeakPolarHBondContact CE-O 3.47Å; K29-N35 VanDerWaalsContact CG-C 3.47Å; K29-N35 WeakPolarHBondContact CG-O 3.37Å; K29-N35 WeakPolarHBondContact CG-OD1 3.18Å; K29-N35 PolarHBondContact NZ-O 3.31Å; K29-N35 WeakPolarHBondContact O-CA 3.42Å; K29-N35 PolarHBondContact O-OD1 2.91Å; K29-S36 WeakPolarHBondContact CG-O 3.41Å; K29-K37 HydrophobicContact CD-CG 4.23Å; K29-K37 HydrophobicContact CG-CG 4.12Å |
| 30 | E | 82.2 | Confident | 75.8 | Confident | 167 Ų | 167 | 104 Ų | 104 | 78% | 0.78 | 52% | 0.518 | S | S | * | . | G | 310 helix | trans | -65.9 | -25.4 | -174.4 | -61.6 | 174 | -173.9 | 0 | 0 | 113.8 | P28 C32 | P28-E30 PolarHBondContact O-N 3.46Å; E30-C32 VanDerWaalsContact C-N 3.35Å |
| 31 | M | 80.7 | Confident | 75.3 | Confident | 133 Ų | 133 | 102.1 Ų | 102.1 | 66% | 0.655 | 51% | 0.514 | S | S | * | . | G | 310 helix | trans | -84.2 | -12.4 | 176.3 | -72.3 | -175.5 | 149.4 | 0 | 0 | 112.7 | E27 P28 K29 | E27-M31 HydrophobicContact CB-CB 4.15Å; E27-M31 HydrophobicContact CB-SD 4.32Å; E27-M31 HydrophobicContact CG-SD 4.26Å; P28-M31 HydrophobicContact CG-CG 4.06Å; P28-M31 HydrophobicContact CG-SD 4.1Å; P28-M31 PolarHBondContact O-N 3.3Å; K29-M31 VanDerWaalsContact C-N 3.27Å; K29-M31 PolarHBondContact O-N 2.96Å |
| 32 | C | 77.5 | Confident | 74.9 | Confident | 25 Ų | 25 | 104.5 Ų | 104.5 | 17% | 0.169 | 52% | 0.522 | C | S | . | . | S | Bend | trans | -79.4 | 139.9 | 173.8 | -71 | 0 | 0 | 0 | 0 | 110.7 | K29 E30 F34 N35 | K29-C32 WeakPolarHBondContact O-CB 2.82Å; K29-C32 PolarHBondContact O-N 2.64Å; K29-C32 VanDerWaalsContact O-N 3.08Å; E30-C32 VanDerWaalsContact C-N 3.35Å; C32-F34 VanDerWaalsContact C-N 3.32Å; C32-F34 PolarHBondContact O-N 3.22Å; C32-N35 PolarHBondContact O-N 2.75Å |
| 33 | Y | 78.6 | Confident | 74.9 | Confident | 123 Ų | 123 | 102.5 Ų | 102.5 | 48% | 0.482 | 51% | 0.507 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.8 | -52.5 | 177.3 | 179.6 | -100.8 | 0 | 0 | 0 | 112.3 | N35 R82 L86 S88 | Y33-N35 PolarHBondContact O-N 3.23Å; Y33-R82 PolarHBondContact O-NE 3.24Å; Y33-R82 PolarHBondContact O-NH2 3.31Å; Y33-L86 HydrophobicContact CD2-CD1 4.38Å; Y33-L86 HydrophobicContact CE2-CD1 3.51Å; Y33-S88 PolarHBondContact OH-OG 3.45Å |
| 34 | F | 75 | Confident | 75.1 | Confident | 43 Ų | 43 | 98.7 Ų | 98.7 | 19% | 0.189 | 48% | 0.483 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | 0.3 | -178.2 | -70.7 | -68.8 | 0 | 0 | 0 | 115 | C32 S36 E78 E79 R82 | C32-F34 VanDerWaalsContact C-N 3.32Å; C32-F34 PolarHBondContact O-N 3.22Å; F34-S36 PolarHBondContact O-N 3.27Å; F34-E78 HydrophobicContact CB-CB 4.04Å; F34-E78 HydrophobicContact CB-CG 4.4Å; F34-E78 HydrophobicContact CD1-CB 4.07Å; F34-E78 VanDerWaalsContact CD2-OE2 3.25Å; F34-E78 WeakPolarHBondContact CD2-OE2 3.34Å; F34-E78 HydrophobicContact CG-CB 4.17Å; F34-E78 WeakPolarHBondContact CG-OE2 3.41Å; F34-E79 HydrophobicContact CD1-CG 4.26Å; F34-E79 HydrophobicContact CE1-CG 4.05Å; F34-R82 WeakPolarHBondContact O-CG 3Å |
| 35 | N | 78.6 | Confident | 75.2 | Confident | 32 Ų | 32 | 102.5 Ų | 102.5 | 17% | 0.171 | 50% | 0.503 | C | S | . | . | trans | 46 | 45.5 | -168.7 | -167.4 | 18.2 | 0 | 0 | 0 | 111.1 | K29 C32 Y33 P83 | K29-N35 WeakPolarHBondContact CD-O 3.33Å; K29-N35 WeakPolarHBondContact CD-OD1 3.38Å; K29-N35 WeakPolarHBondContact CE-O 3.47Å; K29-N35 VanDerWaalsContact CG-C 3.47Å; K29-N35 WeakPolarHBondContact CG-O 3.37Å; K29-N35 WeakPolarHBondContact CG-OD1 3.18Å; K29-N35 PolarHBondContact NZ-O 3.31Å; K29-N35 WeakPolarHBondContact O-CA 3.42Å; K29-N35 PolarHBondContact O-OD1 2.91Å; C32-N35 PolarHBondContact O-N 2.75Å; Y33-N35 PolarHBondContact O-N 3.23Å; N35-P83 WeakPolarHBondContact ND2-CD 3.4Å | ||
| 36 | S | 76.7 | Confident | 75.6 | Confident | 24 Ų | 24 | 100.5 Ų | 100.5 | 17% | 0.168 | 50% | 0.499 | C | S | . | . | trans | -112.3 | 150 | 179.3 | 66.7 | 0 | 0 | 0 | 0 | 110.6 | K29 F34 | K29-S36 WeakPolarHBondContact CG-O 3.41Å; F34-S36 PolarHBondContact O-N 3.27Å | ||
| 37 | K | 77.7 | Confident | 75.6 | Confident | 164 Ų | 164 | 96 Ų | 96 | 71% | 0.713 | 48% | 0.484 | S | S | * | . | trans | -74.9 | 136.3 | 174.8 | -72.5 | -176.9 | 174.6 | 179.6 | 0 | 107.7 | K29 K39 | K29-K37 HydrophobicContact CD-CG 4.23Å; K29-K37 HydrophobicContact CG-CG 4.12Å; K37-K39 PolarHBondContact O-N 3.22Å; K37-K39 VanDerWaalsContact O-N 3.09Å | ||
| 38 | A | 72.2 | Confident | 75 | Confident | 67 Ų | 67 | 97.8 Ų | 97.8 | 55% | 0.554 | 49% | 0.486 | S | S | * | . | trans | -62.2 | 114.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | I40 | A38-I40 VanDerWaalsContact C-N 3.28Å; A38-I40 HydrophobicContact CB-CD1 4.07Å; A38-I40 HydrophobicContact CB-CG1 4.13Å; A38-I40 PolarHBondContact O-N 3.08Å | ||
| 39 | K | 69.7 | Low | 74.5 | Confident | 148 Ų | 148 | 101.7 Ų | 101.7 | 64% | 0.643 | 50% | 0.499 | S | S | * | . | trans | -88.4 | 66.4 | 173 | -63.5 | 177 | -175.8 | 172.6 | 0 | 108.7 | K37 | K37-K39 PolarHBondContact O-N 3.22Å; K37-K39 VanDerWaalsContact O-N 3.09Å | ||
| 40 | I | 67.6 | Low | 74.1 | Confident | 88 Ų | 88 | 105.3 Ų | 105.3 | 45% | 0.451 | 51% | 0.512 | S | S | . | . | trans | -95.3 | 117.4 | 178.6 | -57.7 | 169.5 | 0 | 0 | 0 | 108.1 | A38 | A38-I40 VanDerWaalsContact C-N 3.28Å; A38-I40 HydrophobicContact CB-CD1 4.07Å; A38-I40 HydrophobicContact CB-CG1 4.13Å; A38-I40 PolarHBondContact O-N 3.08Å | ||
| 41 | T | 66.4 | Low | 73.5 | Confident | 114 Ų | 114 | 104 Ų | 104 | 70% | 0.699 | 50% | 0.5 | S | S | * | . | trans | -80.2 | 122.7 | 163.8 | -10.7 | 0 | 0 | 0 | 0 | 107.7 | V43 | T41-V43 VanDerWaalsContact C-N 3.33Å; T41-V43 PolarHBondContact O-N 3.12Å | ||
| 42 | E | 67.6 | Low | 72.5 | Confident | 160 Ų | 160 | 103.9 Ų | 103.9 | 75% | 0.748 | 50% | 0.502 | S | S | * | . | trans | -68.8 | 93.3 | 173.3 | -63.5 | -166.4 | 155.9 | 0 | 0 | 108.9 | Q24 | Q24-E42 PolarHBondContact NE2-OE1 2.63Š| ||
| 43 | V | 69.4 | Low | 71.6 | Confident | 33 Ų | 33 | 107 Ų | 107 | 20% | 0.2 | 52% | 0.516 | C | S | . | . | trans | -103.2 | 122 | 173.2 | -174.3 | 0 | 0 | 0 | 0 | 107.1 | T41 D47 R48 | T41-V43 VanDerWaalsContact C-N 3.33Å; T41-V43 PolarHBondContact O-N 3.12Å; V43-D47 HydrophobicContact CG1-CB 3.79Å; V43-R48 HydrophobicContact CB-CG 4.21Å; V43-R48 HydrophobicContact CG1-CG 3.74Å; V43-R48 PolarHBondContact O-NE 2.9Å; V43-R48 VanDerWaalsContact O-NE 3.08Å | ||
| 44 | S | 74.6 | Confident | 70.5 | Confident | 54 Ų | 54 | 109 Ų | 109 | 38% | 0.378 | 53% | 0.53 | S | S | . | . | trans | -57.4 | 149.8 | 178.6 | 80.7 | 0 | 0 | 0 | 0 | 110.5 | F46 D47 R48 | S44-F46 PolarHBondContact O-N 3.03Å; S44-D47 WeakPolarHBondContact CB-OD2 3.48Å; S44-D47 PolarHBondContact O-N 3.03Å; S44-D47 WeakPolarHBondContact OG-CB 3.46Å; S44-D47 PolarHBondContact OG-N 3.25Å; S44-D47 PolarHBondContact OG-OD2 3.47Å; S44-R48 WeakPolarHBondContact O-CG 3.47Å; S44-R48 PolarHBondContact O-N 3.31Å | ||
| 45 | M | 72.6 | Confident | 69.5 | Low | 155 Ų | 155 | 114.2 Ų | 114.2 | 76% | 0.764 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -59.1 | -34.7 | 176 | -73.5 | -164.8 | -67.7 | 0 | 0 | 111.4 | R48 M49 | M45-R48 WeakPolarHBondContact O-CB 3.44Å; M45-R48 PolarHBondContact O-N 2.75Å; M45-M49 VanDerWaalsContact O-CG 3.28Å; M45-M49 WeakPolarHBondContact O-CG 3.5Å; M45-M49 PolarHBondContact O-N 3.18Å |
| 46 | F | 77.9 | Confident | 68.3 | Low | 139 Ų | 139 | 118 Ų | 118 | 61% | 0.61 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -59.6 | -51.9 | 176.1 | -168.9 | -93.2 | 0 | 0 | 0 | 111.2 | S44 R48 M49 Y50 | S44-F46 PolarHBondContact O-N 3.03Å; F46-R48 PolarHBondContact O-N 3.09Å; F46-M49 PolarHBondContact O-N 3.08Å; F46-M49 VanDerWaalsContact O-N 3.1Å; F46-Y50 HydrophobicContact CD1-CD2 4.11Å; F46-Y50 AromaticContact CD2-CD2 3.69Å; F46-Y50 HydrophobicContact CD2-CD2 3.69Å; F46-Y50 AromaticContact CD2-CE2 3.73Å; F46-Y50 HydrophobicContact CD2-CE2 3.73Å; F46-Y50 AromaticContact CE1-CD2 3.97Å; F46-Y50 HydrophobicContact CE1-CD2 3.97Å; F46-Y50 HydrophobicContact CE1-CG 4.45Å; F46-Y50 AromaticContact CE2-CD2 3.53Å; F46-Y50 HydrophobicContact CE2-CD2 3.53Å; F46-Y50 AromaticContact CE2-CE2 3.45Å; F46-Y50 HydrophobicContact CE2-CE2 3.45Å; F46-Y50 VanDerWaalsContact CE2-CE2 3.45Å; F46-Y50 AromaticContact CG-CD2 3.98Å; F46-Y50 HydrophobicContact CG-CD2 3.98Å; F46-Y50 HydrophobicContact CG-CE2 4.46Å; F46-Y50 AromaticContact CZ-CD2 3.68Å; F46-Y50 HydrophobicContact CZ-CD2 3.68Å; F46-Y50 AromaticContact CZ-CE2 3.98Å; F46-Y50 HydrophobicContact CZ-CE2 3.98Å; F46-Y50 HydrophobicContact CZ-CG 4.3Å; F46-Y50 WeakPolarHBondContact O-CD2 3.44Å; F46-Y50 PolarHBondContact O-N 3.24Å |
| 47 | D | 76.2 | Confident | 67.3 | Low | 82 Ų | 82 | 122.6 Ų | 122.6 | 44% | 0.439 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -64.5 | -28.2 | 178.6 | -57.2 | -35.5 | 0 | 0 | 0 | 112.5 | V43 S44 R51 | V43-D47 HydrophobicContact CG1-CB 3.79Å; S44-D47 WeakPolarHBondContact CB-OD2 3.48Å; S44-D47 PolarHBondContact O-N 3.03Å; S44-D47 WeakPolarHBondContact OG-CB 3.46Å; S44-D47 PolarHBondContact OG-N 3.25Å; S44-D47 PolarHBondContact OG-OD2 3.47Å; D47-R51 WeakPolarHBondContact O-CA 3.28Å; D47-R51 WeakPolarHBondContact O-CB 3.38Å; D47-R51 VanDerWaalsContact O-CG 3.23Å; D47-R51 WeakPolarHBondContact O-CG 3.22Å; D47-R51 PolarHBondContact O-N 3.41Å; D47-R51 VanDerWaalsContact O-N 3.11Å |
| 48 | R | 69.3 | Low | 66.5 | Low | 150 Ų | 150 | 121.2 Ų | 121.2 | 57% | 0.566 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -70 | -40.8 | 174.2 | -68.8 | 176.3 | -171.9 | -163.7 | -3.3 | 112 | V43 S44 M45 F46 | V43-R48 HydrophobicContact CB-CG 4.21Å; V43-R48 HydrophobicContact CG1-CG 3.74Å; V43-R48 PolarHBondContact O-NE 2.9Å; V43-R48 VanDerWaalsContact O-NE 3.08Å; S44-R48 WeakPolarHBondContact O-CG 3.47Å; S44-R48 PolarHBondContact O-N 3.31Å; M45-R48 WeakPolarHBondContact O-CB 3.44Å; M45-R48 PolarHBondContact O-N 2.75Å; F46-R48 PolarHBondContact O-N 3.09Å |
| 49 | M | 73.3 | Confident | 66 | Low | 156 Ų | 156 | 127.8 Ų | 127.8 | 77% | 0.768 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -75.2 | -40.2 | -178.6 | -68.3 | -61.1 | -71.5 | 0 | 0 | 111.5 | M45 F46 | M45-M49 VanDerWaalsContact O-CG 3.28Å; M45-M49 WeakPolarHBondContact O-CG 3.5Å; M45-M49 PolarHBondContact O-N 3.18Å; F46-M49 PolarHBondContact O-N 3.08Å; F46-M49 VanDerWaalsContact O-N 3.1Å |
| 50 | Y | 73.3 | Confident | 65.3 | Low | 154 Ų | 154 | 125.2 Ų | 125.2 | 60% | 0.604 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -105.5 | 24 | -175.2 | -62.8 | -76.7 | 0 | 0 | 0 | 113.2 | F46 N52 | F46-Y50 HydrophobicContact CD1-CD2 4.11Å; F46-Y50 AromaticContact CD2-CD2 3.69Å; F46-Y50 HydrophobicContact CD2-CD2 3.69Å; F46-Y50 AromaticContact CD2-CE2 3.73Å; F46-Y50 HydrophobicContact CD2-CE2 3.73Å; F46-Y50 AromaticContact CE1-CD2 3.97Å; F46-Y50 HydrophobicContact CE1-CD2 3.97Å; F46-Y50 HydrophobicContact CE1-CG 4.45Å; F46-Y50 AromaticContact CE2-CD2 3.53Å; F46-Y50 HydrophobicContact CE2-CD2 3.53Å; F46-Y50 AromaticContact CE2-CE2 3.45Å; F46-Y50 HydrophobicContact CE2-CE2 3.45Å; F46-Y50 VanDerWaalsContact CE2-CE2 3.45Å; F46-Y50 AromaticContact CG-CD2 3.98Å; F46-Y50 HydrophobicContact CG-CD2 3.98Å; F46-Y50 HydrophobicContact CG-CE2 4.46Å; F46-Y50 AromaticContact CZ-CD2 3.68Å; F46-Y50 HydrophobicContact CZ-CD2 3.68Å; F46-Y50 AromaticContact CZ-CE2 3.98Å; F46-Y50 HydrophobicContact CZ-CE2 3.98Å; F46-Y50 HydrophobicContact CZ-CG 4.3Å; F46-Y50 WeakPolarHBondContact O-CD2 3.44Å; F46-Y50 PolarHBondContact O-N 3.24Å; Y50-N52 PolarHBondContact O-N 3.01Å; Y50-N52 PolarHBondContact O-OD1 3.06Å |
| 51 | R | 68.6 | Low | 64.9 | Low | 140 Ų | 140 | 129.2 Ų | 129.2 | 53% | 0.528 | 62% | 0.621 | S | S | . | * | trans | -63.7 | 103.6 | 176.3 | -127.5 | 172.1 | -169.4 | -169.1 | 1.9 | 109.3 | D47 I53 | D47-R51 WeakPolarHBondContact O-CA 3.28Å; D47-R51 WeakPolarHBondContact O-CB 3.38Å; D47-R51 VanDerWaalsContact O-CG 3.23Å; D47-R51 WeakPolarHBondContact O-CG 3.22Å; D47-R51 PolarHBondContact O-N 3.41Å; D47-R51 VanDerWaalsContact O-N 3.11Å; R51-I53 WeakPolarHBondContact O-CG1 3.25Å; R51-I53 PolarHBondContact O-N 3.28Å | ||
| 52 | N | 58.9 | Low | 64.3 | Low | 130 Ų | 130 | 131.6 Ų | 131.6 | 70% | 0.695 | 62% | 0.618 | S | S | * | * | trans | -55.8 | 121.7 | 174.9 | -68.9 | -14 | 0 | 0 | 0 | 108.7 | Y50 E54 | Y50-N52 PolarHBondContact O-N 3.01Å; Y50-N52 PolarHBondContact O-OD1 3.06Å; N52-E54 HydrophobicContact CB-CG 4.28Å; N52-E54 PolarHBondContact O-N 3.25Å; N52-E54 VanDerWaalsContact O-N 3.15Å | ||
| 53 | I | 59 | Low | 63.5 | Low | 91 Ų | 91 | 132.3 Ų | 132.3 | 47% | 0.467 | 62% | 0.621 | S | S | . | * | trans | -90.9 | 54.8 | -178.2 | -34.4 | 170.5 | 0 | 0 | 0 | 109 | R51 D55 F56 | R51-I53 WeakPolarHBondContact O-CG1 3.25Å; R51-I53 PolarHBondContact O-N 3.28Å; I53-D55 PolarHBondContact O-N 2.63Å; I53-F56 HydrophobicContact CB-CD2 3.74Å; I53-F56 HydrophobicContact CB-CE2 4.47Å; I53-F56 HydrophobicContact CD1-CD2 3.88Å; I53-F56 HydrophobicContact CD1-CE2 3.78Å; I53-F56 HydrophobicContact CG1-CD2 4.4Å; I53-F56 HydrophobicContact CG2-CB 3.88Å; I53-F56 HydrophobicContact CG2-CD2 3.12Å; I53-F56 HydrophobicContact CG2-CE2 3.85Å; I53-F56 HydrophobicContact CG2-CG 3.83Å; I53-F56 PolarHBondContact O-N 3.37Å | ||
| 54 | E | 56 | Low | 62.5 | Low | 164 Ų | 164 | 135.4 Ų | 135.4 | 77% | 0.766 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | -23.6 | 178.1 | -72.4 | 175.3 | -164.7 | 0 | 0 | 111.3 | N52 F56 | N52-E54 HydrophobicContact CB-CG 4.28Å; N52-E54 PolarHBondContact O-N 3.25Å; N52-E54 VanDerWaalsContact O-N 3.15Å; E54-F56 PolarHBondContact O-N 2.95Å |
| 55 | D | 54.9 | Low | 61.4 | Low | 154 Ų | 154 | 138.9 Ų | 138.9 | 82% | 0.824 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.2 | 35.3 | 177.1 | -56.1 | -38.4 | 0 | 0 | 0 | 113.6 | I53 E57 | I53-D55 PolarHBondContact O-N 2.63Å; D55-E57 PolarHBondContact O-N 3.04Å |
| 56 | F | 53.2 | Low | 60.2 | Low | 111 Ų | 111 | 138.6 Ų | 138.6 | 49% | 0.487 | 64% | 0.643 | S | S | . | * | trans | -71.6 | 90.7 | 177.3 | -140.5 | -65.1 | 0 | 0 | 0 | 110.2 | I53 E54 T58 | I53-F56 HydrophobicContact CB-CD2 3.74Å; I53-F56 HydrophobicContact CB-CE2 4.47Å; I53-F56 HydrophobicContact CD1-CD2 3.88Å; I53-F56 HydrophobicContact CD1-CE2 3.78Å; I53-F56 HydrophobicContact CG1-CD2 4.4Å; I53-F56 HydrophobicContact CG2-CB 3.88Å; I53-F56 HydrophobicContact CG2-CD2 3.12Å; I53-F56 HydrophobicContact CG2-CE2 3.85Å; I53-F56 HydrophobicContact CG2-CG 3.83Å; I53-F56 PolarHBondContact O-N 3.37Å; E54-F56 PolarHBondContact O-N 2.95Å; F56-T58 PolarHBondContact O-N 3Å | ||
| 57 | E | 55.7 | Low | 58.7 | Low | 121 Ų | 121 | 138.7 Ų | 138.7 | 57% | 0.565 | 65% | 0.645 | S | S | * | * | trans | -60.9 | 101.8 | 167.4 | -74.9 | -177.1 | 163.1 | 0 | 0 | 109.8 | D55 K59 K60 | D55-E57 PolarHBondContact O-N 3.04Å; E57-K59 PolarHBondContact O-N 3.05Å; E57-K59 VanDerWaalsContact O-N 3.09Å; E57-K60 HydrophobicContact CB-CD 4.2Å; E57-K60 WeakPolarHBondContact OE2-CD 3.31Å; E57-K60 WeakPolarHBondContact OE2-CE 3.45Å; E57-K60 IonicContact OE2-NZ 2.66Å; E57-K60 PolarHBondContact OE2-NZ 3.43Å | ||
| 58 | T | 60.6 | Low | 57.4 | Low | 135 Ų | 135 | 138.4 Ų | 138.4 | 83% | 0.828 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.5 | -12.4 | -176.4 | 52.1 | 0 | 0 | 0 | 0 | 114.3 | F56 K60 | F56-T58 PolarHBondContact O-N 3Å; T58-K60 PolarHBondContact O-N 3.46Å; T58-K60 VanDerWaalsContact O-N 3.11Å |
| 59 | K | 61.6 | Low | 56.4 | Low | 205 Ų | 205 | 141.4 Ų | 141.4 | 89% | 0.891 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | 8.3 | -175 | -155.2 | 171.1 | -177.7 | 177 | 0 | 114.5 | E57 | E57-K59 PolarHBondContact O-N 3.05Å; E57-K59 VanDerWaalsContact O-N 3.09Å |
| 60 | K | 55.7 | Low | 55.1 | Low | 94 Ų | 94 | 142.5 Ų | 142.5 | 41% | 0.409 | 66% | 0.664 | S | S | . | * | trans | -120.2 | 105.2 | -167.8 | -65 | 174.8 | 151.6 | 173.4 | 0 | 109.7 | E57 T58 Y62 K65 | E57-K60 HydrophobicContact CB-CD 4.2Å; E57-K60 WeakPolarHBondContact OE2-CD 3.31Å; E57-K60 WeakPolarHBondContact OE2-CE 3.45Å; E57-K60 IonicContact OE2-NZ 2.66Å; E57-K60 PolarHBondContact OE2-NZ 3.43Å; T58-K60 PolarHBondContact O-N 3.46Å; T58-K60 VanDerWaalsContact O-N 3.11Å; K60-Y62 PolarHBondContact O-N 2.87Å; K60-Y62 VanDerWaalsContact O-N 3.08Å; K60-K65 HydrophobicContact CB-CD 3.74Å; K60-K65 HydrophobicContact CD-CD 3.46Å; K60-K65 VanDerWaalsContact CD-CD 3.46Å; K60-K65 HydrophobicContact CG-CD 3.96Å | ||
| 61 | Q | 57.8 | Low | 54.2 | Low | 171 Ų | 171 | 143.8 Ų | 143.8 | 80% | 0.799 | 67% | 0.668 | S | S | * | * | trans | -70.2 | -1.5 | -165.5 | -164.3 | 150 | -12.9 | 0 | 0 | 116.8 | ||||
| 62 | Y | 53.6 | Low | 53.8 | Low | 164 Ų | 164 | 139.3 Ų | 139.3 | 64% | 0.643 | 67% | 0.665 | S | S | * | * | trans | -140.5 | 130.2 | -179.2 | -68.9 | -79.7 | 0 | 0 | 0 | 112.3 | K60 T64 | K60-Y62 PolarHBondContact O-N 2.87Å; K60-Y62 VanDerWaalsContact O-N 3.08Å; Y62-T64 WeakPolarHBondContact CB-OG1 3.32Å; Y62-T64 PolarHBondContact O-N 3.28Å | ||
| 63 | H | 52.2 | Low | 53.9 | Low | 176 Ų | 176 | 137.3 Ų | 137.3 | 82% | 0.815 | 65% | 0.654 | S | S | * | * | G | 310 helix | trans | -58.3 | 7.6 | 170.6 | -75.8 | -76.5 | 0 | 0 | 0 | 114.7 | K65 | H63-K65 VanDerWaalsContact C-N 3.28Å; H63-K65 PolarHBondContact O-N 3.1Å |
| 64 | T | 48.3 | Very low | 54.8 | Low | 98 Ų | 98 | 136.1 Ų | 136.1 | 60% | 0.601 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -78.2 | -3.3 | 175.7 | 51.2 | 0 | 0 | 0 | 0 | 114 | Y62 K66 H67 | Y62-T64 WeakPolarHBondContact CB-OG1 3.32Å; Y62-T64 PolarHBondContact O-N 3.28Å; T64-K66 PolarHBondContact O-N 3.14Å; T64-H67 PolarHBondContact O-N 2.93Å; T64-H67 VanDerWaalsContact O-N 3.08Å |
| 65 | K | 50.4 | Low | 55.8 | Low | 126 Ų | 126 | 132.4 Ų | 132.4 | 55% | 0.548 | 63% | 0.633 | S | S | . | * | G | 310 helix | trans | -76.8 | 2.9 | -179.3 | -66.3 | -170.6 | -178.7 | -159.1 | 0 | 116.1 | K60 H63 | K60-K65 HydrophobicContact CB-CD 3.74Å; K60-K65 HydrophobicContact CD-CD 3.46Å; K60-K65 VanDerWaalsContact CD-CD 3.46Å; K60-K65 HydrophobicContact CG-CD 3.96Å; H63-K65 VanDerWaalsContact C-N 3.28Å; H63-K65 PolarHBondContact O-N 3.1Å |
| 66 | K | 47.1 | Very low | 57 | Low | 149 Ų | 149 | 127.4 Ų | 127.4 | 65% | 0.648 | 61% | 0.606 | S | S | * | * | G | 310 helix | trans | -90.3 | -3.9 | 164.2 | -78.4 | -172.6 | -179.9 | 180 | 0 | 113.3 | T64 S68 | T64-K66 PolarHBondContact O-N 3.14Å; K66-S68 PolarHBondContact O-N 3.1Å; K66-S68 VanDerWaalsContact O-N 3.14Å |
| 67 | H | 46.2 | Very low | 58.2 | Low | 142 Ų | 142 | 127.6 Ų | 127.6 | 66% | 0.657 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -77 | 91.6 | 165.3 | -104.9 | -24.5 | 0 | 0 | 0 | 108 | T64 R69 | T64-H67 PolarHBondContact O-N 2.93Å; T64-H67 VanDerWaalsContact O-N 3.08Å; H67-R69 PolarHBondContact O-N 3.24Å |
| 68 | S | 50.1 | Low | 59.4 | Low | 75 Ų | 75 | 122.5 Ų | 122.5 | 52% | 0.524 | 59% | 0.585 | S | S | . | * | S | Bend | 60 | -3.9 | 84.4 | 84.5 | 0 | 0 | 0 | 0 | 115.2 | K66 | K66-S68 PolarHBondContact O-N 3.1Å; K66-S68 VanDerWaalsContact O-N 3.14Å | |
| 69 | R | 46.9 | Very low | 60.5 | Low | 213 Ų | 213 | 116.8 Ų | 116.8 | 80% | 0.804 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -87.7 | -25 | 173 | -82.1 | -175.2 | 154.6 | 177.4 | -5.8 | 113.1 | H67 | H67-R69 PolarHBondContact O-N 3.24Š|
| 70 | E | 46.5 | Very low | 61.4 | Low | 179 Ų | 179 | 113.1 Ų | 113.1 | 84% | 0.836 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -117.6 | -9.7 | -175.1 | -68.1 | 174.5 | -179.6 | 0 | 0 | 114.3 | G72 | E70-G72 PolarHBondContact O-N 3.11Š|
| 71 | R | 54.6 | Low | 62.5 | Low | 182 Ų | 182 | 111.2 Ų | 111.2 | 69% | 0.687 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -76.2 | 94.6 | 177.3 | -83.4 | -173.4 | 177.4 | 146.3 | 0.7 | 110.1 | ||
| 72 | G | 59.8 | Low | 63.5 | Low | 46 Ų | 46 | 104.5 Ų | 104.5 | 47% | 0.474 | 50% | 0.499 | S | S | . | . | S | Bend | trans | 93.1 | -0.3 | 162.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | E70 | E70-G72 PolarHBondContact O-N 3.11Š|
| 73 | L | 62.5 | Low | 64.7 | Low | 87 Ų | 87 | 100.2 Ų | 100.2 | 46% | 0.455 | 49% | 0.491 | S | S | . | . | trans | -102.4 | 96.7 | 175.6 | -62.7 | 177.3 | 0 | 0 | 0 | 109.5 | I75 | L73-I75 HydrophobicContact CB-CG1 4.44Å; L73-I75 PolarHBondContact O-N 2.77Å | ||
| 74 | D | 76.8 | Confident | 66 | Low | 66 Ų | 66 | 96.6 Ų | 96.6 | 35% | 0.353 | 48% | 0.481 | S | S | . | . | trans | -87.9 | 84.6 | 164.9 | -170.1 | -26.2 | 0 | 0 | 0 | 108 | N76 E77 E78 | D74-N76 PolarHBondContact O-N 2.88Å; D74-N76 VanDerWaalsContact O-N 3.14Å; D74-N76 WeakPolarHBondContact OD1-CB 3.45Å; D74-N76 PolarHBondContact OD1-N 3.47Å; D74-E77 HydrophobicContact CB-CB 4.11Å; D74-E77 HydrophobicContact CB-CG 4.38Å; D74-E77 PolarHBondContact O-N 3.09Å; D74-E77 PolarHBondContact OD1-N 2.48Å; D74-E77 VanDerWaalsContact OD1-N 3.1Å; D74-E77 VanDerWaalsContact OD2-CD 3.29Å; D74-E77 VanDerWaalsContact OD2-CG 3.31Å; D74-E77 WeakPolarHBondContact OD2-CG 3.23Å; D74-E78 VanDerWaalsContact O-CB 3.23Å; D74-E78 WeakPolarHBondContact O-CB 3.18Å; D74-E78 VanDerWaalsContact O-CG 3.22Å; D74-E78 WeakPolarHBondContact O-CG 3.36Å; D74-E78 PolarHBondContact O-N 3.01Å | ||
| 75 | I | 77.1 | Confident | 67.5 | Low | 86 Ų | 86 | 94 Ų | 94 | 44% | 0.441 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -56.6 | -33.3 | -174.9 | -60.3 | 171.2 | 0 | 0 | 0 | 110.9 | L73 E79 | L73-I75 HydrophobicContact CB-CG1 4.44Å; L73-I75 PolarHBondContact O-N 2.77Å; I75-E79 HydrophobicContact CG2-CG 4.2Å; I75-E79 VanDerWaalsContact O-CB 3.25Å; I75-E79 WeakPolarHBondContact O-CB 3.27Å; I75-E79 VanDerWaalsContact O-CG 3.27Å; I75-E79 WeakPolarHBondContact O-CG 3.11Å; I75-E79 PolarHBondContact O-N 2.59Å |
| 76 | N | 79.4 | Confident | 68.8 | Low | 49 Ų | 49 | 91 Ų | 91 | 26% | 0.262 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -69.3 | -53.2 | -179.2 | -176.3 | -1 | 0 | 0 | 0 | 111.2 | D74 E78 K80 Y92 | D74-N76 PolarHBondContact O-N 2.88Å; D74-N76 VanDerWaalsContact O-N 3.14Å; D74-N76 WeakPolarHBondContact OD1-CB 3.45Å; D74-N76 PolarHBondContact OD1-N 3.47Å; N76-E78 VanDerWaalsContact C-N 3.3Å; N76-E78 PolarHBondContact O-N 3.21Å; N76-K80 WeakPolarHBondContact O-CB 3.25Å; N76-K80 WeakPolarHBondContact O-CG 3.46Å; N76-K80 PolarHBondContact O-N 3.46Å; N76-K80 WeakPolarHBondContact OD1-CD 3.2Å; N76-K80 WeakPolarHBondContact OD1-CE 3.23Å; N76-K80 PolarHBondContact OD1-NZ 2.9Å; N76-Y92 HydrophobicContact CB-CD2 4.43Å; N76-Y92 WeakPolarHBondContact OD1-CB 3.22Å; N76-Y92 WeakPolarHBondContact OD1-CD1 3.48Å; N76-Y92 VanDerWaalsContact OD1-CG 3.28Å |
| 77 | E | 79.6 | Confident | 70.3 | Confident | 116 Ų | 116 | 92.5 Ų | 92.5 | 54% | 0.542 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.4 | -41.8 | 176.2 | -72.4 | -171 | 162.2 | 0 | 0 | 111.9 | D74 K80 S81 | D74-E77 HydrophobicContact CB-CB 4.11Å; D74-E77 HydrophobicContact CB-CG 4.38Å; D74-E77 PolarHBondContact O-N 3.09Å; D74-E77 PolarHBondContact OD1-N 2.48Å; D74-E77 VanDerWaalsContact OD1-N 3.1Å; D74-E77 VanDerWaalsContact OD2-CD 3.29Å; D74-E77 VanDerWaalsContact OD2-CG 3.31Å; D74-E77 WeakPolarHBondContact OD2-CG 3.23Å; E77-K80 PolarHBondContact O-N 2.92Å; E77-S81 WeakPolarHBondContact O-CB 3.24Å; E77-S81 PolarHBondContact O-N 3.39Å |
| 78 | E | 81.1 | Confident | 71.9 | Confident | 14 Ų | 14 | 89.4 Ų | 89.4 | 7% | 0.065 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -62 | -50.4 | 179.8 | -77.9 | -175.7 | -179.9 | 0 | 0 | 111.4 | F34 D74 N76 K80 S81 R82 | F34-E78 HydrophobicContact CB-CB 4.04Å; F34-E78 HydrophobicContact CB-CG 4.4Å; F34-E78 HydrophobicContact CD1-CB 4.07Å; F34-E78 VanDerWaalsContact CD2-OE2 3.25Å; F34-E78 WeakPolarHBondContact CD2-OE2 3.34Å; F34-E78 HydrophobicContact CG-CB 4.17Å; F34-E78 WeakPolarHBondContact CG-OE2 3.41Å; D74-E78 VanDerWaalsContact O-CB 3.23Å; D74-E78 WeakPolarHBondContact O-CB 3.18Å; D74-E78 VanDerWaalsContact O-CG 3.22Å; D74-E78 WeakPolarHBondContact O-CG 3.36Å; D74-E78 PolarHBondContact O-N 3.01Å; N76-E78 VanDerWaalsContact C-N 3.3Å; N76-E78 PolarHBondContact O-N 3.21Å; E78-K80 PolarHBondContact O-N 2.92Å; E78-S81 PolarHBondContact O-N 3.42Å; E78-S81 PolarHBondContact O-OG 2.78Å; E78-R82 WeakPolarHBondContact O-CG 3.39Å |
| 79 | E | 83.1 | Confident | 73.1 | Confident | 15 Ų | 15 | 86.1 Ų | 86.1 | 7% | 0.07 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -64.3 | -38.1 | 178.5 | -75.6 | -168.6 | 171.8 | 0 | 0 | 113.1 | F34 I75 S81 R82 S90 | F34-E79 HydrophobicContact CD1-CG 4.26Å; F34-E79 HydrophobicContact CE1-CG 4.05Å; I75-E79 HydrophobicContact CG2-CG 4.2Å; I75-E79 VanDerWaalsContact O-CB 3.25Å; I75-E79 WeakPolarHBondContact O-CB 3.27Å; I75-E79 VanDerWaalsContact O-CG 3.27Å; I75-E79 WeakPolarHBondContact O-CG 3.11Å; I75-E79 PolarHBondContact O-N 2.59Å; E79-S81 VanDerWaalsContact C-N 3.28Å; E79-S81 PolarHBondContact O-N 3.35Å; E79-R82 WeakPolarHBondContact O-CB 3.4Å; E79-R82 PolarHBondContact O-N 2.97Å; E79-S90 WeakPolarHBondContact OE2-CB 3.27Å; E79-S90 PolarHBondContact OE2-N 3.31Å; E79-S90 PolarHBondContact OE2-OG 2.97Å |
| 80 | K | 79.8 | Confident | 74.5 | Confident | 127 Ų | 127 | 77.9 Ų | 77.9 | 55% | 0.552 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -61.9 | -34.9 | 173.6 | -78.6 | 172.2 | 175.9 | 161.4 | 0 | 112.8 | N76 E77 E78 R82 | N76-K80 WeakPolarHBondContact O-CB 3.25Å; N76-K80 WeakPolarHBondContact O-CG 3.46Å; N76-K80 PolarHBondContact O-N 3.46Å; N76-K80 WeakPolarHBondContact OD1-CD 3.2Å; N76-K80 WeakPolarHBondContact OD1-CE 3.23Å; N76-K80 PolarHBondContact OD1-NZ 2.9Å; E77-K80 PolarHBondContact O-N 2.92Å; E78-K80 PolarHBondContact O-N 2.92Å; K80-R82 PolarHBondContact O-N 3.15Å |
| 81 | S | 79.4 | Confident | 75.9 | Confident | 55 Ų | 55 | 76.4 Ų | 76.4 | 39% | 0.385 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -8.8 | -179.1 | 80.3 | 0 | 0 | 0 | 0 | 113.8 | E77 E78 E79 | E77-S81 WeakPolarHBondContact O-CB 3.24Å; E77-S81 PolarHBondContact O-N 3.39Å; E78-S81 PolarHBondContact O-N 3.42Å; E78-S81 PolarHBondContact O-OG 2.78Å; E79-S81 VanDerWaalsContact C-N 3.28Å; E79-S81 PolarHBondContact O-N 3.35Å |
| 82 | R | 79.2 | Confident | 76.6 | Confident | 29 Ų | 29 | 73.9 Ų | 73.9 | 11% | 0.109 | 40% | 0.404 | C | S | . | . | trans | -72.8 | 136.1 | -175.5 | -64 | 176.6 | 86.4 | 166.3 | 4.9 | 111.3 | Y33 F34 E78 E79 K80 V84 | Y33-R82 PolarHBondContact O-NE 3.24Å; Y33-R82 PolarHBondContact O-NH2 3.31Å; F34-R82 WeakPolarHBondContact O-CG 3Å; E78-R82 WeakPolarHBondContact O-CG 3.39Å; E79-R82 WeakPolarHBondContact O-CB 3.4Å; E79-R82 PolarHBondContact O-N 2.97Å; K80-R82 PolarHBondContact O-N 3.15Å; R82-V84 VanDerWaalsContact C-N 3.29Å; R82-V84 PolarHBondContact O-N 3.11Å | ||
| 83 | P | 78.5 | Confident | 77.1 | Confident | 75 Ų | 75 | 72 Ų | 72 | 49% | 0.487 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -71.6 | -25.6 | 176.7 | 28.8 | -34.6 | 0 | 0 | 0 | 112.4 | N35 R95 | N35-P83 WeakPolarHBondContact ND2-CD 3.4Å; P83-R95 PolarHBondContact O-NH2 2.99Å |
| 84 | V | 79.9 | Confident | 77.6 | Confident | 100 Ų | 100 | 74 Ų | 74 | 61% | 0.606 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -132.6 | 131.5 | -177.5 | -178.1 | 0 | 0 | 0 | 0 | 109.2 | R82 | R82-V84 VanDerWaalsContact C-N 3.29Å; R82-V84 PolarHBondContact O-N 3.11Å |
| 85 | A | 79.4 | Confident | 77.3 | Confident | 44 Ų | 44 | 79 Ų | 79 | 36% | 0.364 | 40% | 0.401 | S | S | . | . | trans | -75.3 | 134.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | G93 | A85-G93 VanDerWaalsContact CB-O 3.27Å; A85-G93 WeakPolarHBondContact CB-O 3.38Å | ||
| 86 | L | 77.6 | Confident | 76.6 | Confident | 63 Ų | 63 | 80.5 Ų | 80.5 | 33% | 0.33 | 41% | 0.405 | S | S | . | . | trans | -91.8 | 161 | 173.3 | -66.9 | -169.1 | 0 | 0 | 0 | 111.6 | Y33 S88 S89 | Y33-L86 HydrophobicContact CD2-CD1 4.38Å; Y33-L86 HydrophobicContact CE2-CD1 3.51Å; L86-S88 PolarHBondContact O-N 3.21Å; L86-S89 WeakPolarHBondContact O-CB 3.5Å; L86-S89 PolarHBondContact O-N 2.85Å; L86-S89 PolarHBondContact O-OG 3.46Å | ||
| 87 | L | 79.4 | Confident | 75.8 | Confident | 180 Ų | 180 | 82.8 Ų | 82.8 | 94% | 0.942 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -34.7 | 171.1 | -69.8 | 174.7 | 0 | 0 | 0 | 112.4 | S89 | L87-S89 VanDerWaalsContact C-N 3.26Å; L87-S89 PolarHBondContact O-N 3.14Å |
| 88 | S | 78.9 | Confident | 74.8 | Confident | 76 Ų | 76 | 81.4 Ų | 81.4 | 53% | 0.531 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | 1.3 | 174.8 | 53.6 | 0 | 0 | 0 | 0 | 114 | Y33 L86 | Y33-S88 PolarHBondContact OH-OG 3.45Å; L86-S88 PolarHBondContact O-N 3.21Å |
| 89 | S | 76.6 | Confident | 73.9 | Confident | 7 Ų | 7 | 86.3 Ų | 86.3 | 5% | 0.049 | 45% | 0.451 | C | S | . | . | trans | -66.6 | 138.7 | -179.9 | 61.7 | 0 | 0 | 0 | 0 | 111.5 | L86 L87 R94 | L86-S89 WeakPolarHBondContact O-CB 3.5Å; L86-S89 PolarHBondContact O-N 2.85Å; L86-S89 PolarHBondContact O-OG 3.46Å; L87-S89 VanDerWaalsContact C-N 3.26Å; L87-S89 PolarHBondContact O-N 3.14Å; S89-R94 PolarHBondContact O-NE 3.18Å | ||
| 90 | S | 75.1 | Confident | 72.9 | Confident | 40 Ų | 40 | 91.3 Ų | 91.3 | 28% | 0.28 | 48% | 0.477 | S | S | . | . | trans | -67 | 175.8 | 171.4 | 82.2 | 0 | 0 | 0 | 0 | 110.7 | E79 Y92 G93 R94 | E79-S90 WeakPolarHBondContact OE2-CB 3.27Å; E79-S90 PolarHBondContact OE2-N 3.31Å; E79-S90 PolarHBondContact OE2-OG 2.97Å; S90-Y92 PolarHBondContact O-N 3.32Å; S90-Y92 VanDerWaalsContact O-N 3.11Å; S90-Y92 WeakPolarHBondContact OG-CD2 3.43Å; S90-Y92 PolarHBondContact OG-N 3.4Å; S90-G93 PolarHBondContact O-N 3.22Å; S90-G93 VanDerWaalsContact O-N 3.09Å; S90-R94 WeakPolarHBondContact O-CG 3.1Å; S90-R94 PolarHBondContact O-N 3.09Å | ||
| 91 | E | 75.9 | Confident | 71.8 | Confident | 147 Ų | 147 | 90.8 Ų | 90.8 | 69% | 0.687 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.2 | -34.9 | 172.7 | -172.2 | 177 | 172.5 | 0 | 0 | 112.4 | R94 F96 | E91-R94 PolarHBondContact O-N 3.21Å; E91-F96 HydrophobicContact CG-CE2 4.39Å |
| 92 | Y | 69.9 | Low | 71 | Confident | 129 Ų | 129 | 98.4 Ų | 98.4 | 51% | 0.506 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -32 | -178.8 | -54.9 | -66.6 | 0 | 0 | 0 | 113.9 | N76 S90 | N76-Y92 HydrophobicContact CB-CD2 4.43Å; N76-Y92 WeakPolarHBondContact OD1-CB 3.22Å; N76-Y92 WeakPolarHBondContact OD1-CD1 3.48Å; N76-Y92 VanDerWaalsContact OD1-CG 3.28Å; S90-Y92 PolarHBondContact O-N 3.32Å; S90-Y92 VanDerWaalsContact O-N 3.11Å; S90-Y92 WeakPolarHBondContact OG-CD2 3.43Å; S90-Y92 PolarHBondContact OG-N 3.4Å |
| 93 | G | 69.4 | Low | 70.4 | Confident | 8 Ų | 8 | 102.6 Ų | 102.6 | 8% | 0.082 | 53% | 0.529 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -10.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114 | A85 S90 | A85-G93 VanDerWaalsContact CB-O 3.27Å; A85-G93 WeakPolarHBondContact CB-O 3.38Å; S90-G93 PolarHBondContact O-N 3.22Å; S90-G93 VanDerWaalsContact O-N 3.09Å |
| 94 | R | 73 | Confident | 69.9 | Low | 128 Ų | 128 | 103.4 Ų | 103.4 | 48% | 0.483 | 54% | 0.542 | S | S | . | . | S | Bend | trans | -78.1 | 127.9 | 173 | -70.7 | 176.8 | -165.5 | -142.4 | 5.9 | 108.9 | S89 S90 E91 F96 | S89-R94 PolarHBondContact O-NE 3.18Å; S90-R94 WeakPolarHBondContact O-CG 3.1Å; S90-R94 PolarHBondContact O-N 3.09Å; E91-R94 PolarHBondContact O-N 3.21Å; R94-F96 HydrophobicContact CB-CD2 3.52Å; R94-F96 HydrophobicContact CB-CE2 3.36Å; R94-F96 HydrophobicContact CB-CG 4.4Å; R94-F96 HydrophobicContact CB-CZ 4.1Å; R94-F96 VanDerWaalsContact CD-CE2 3.44Å; R94-F96 HydrophobicContact CG-CE2 4.03Å; R94-F96 PolarHBondContact O-N 3.08Å |
| 95 | R | 70.8 | Confident | 69.7 | Low | 172 Ų | 172 | 106.7 Ų | 106.7 | 65% | 0.649 | 55% | 0.548 | S | S | * | . | trans | -72.2 | 69.3 | 172.8 | -66.6 | -176.1 | 172.9 | -150.9 | -10.4 | 110.5 | P83 N97 | P83-R95 PolarHBondContact O-NH2 2.99Å; R95-N97 PolarHBondContact O-N 3.42Å | ||
| 96 | F | 62.3 | Low | 69.8 | Low | 117 Ų | 117 | 115.5 Ų | 115.5 | 51% | 0.513 | 57% | 0.572 | S | S | . | * | trans | -79 | 77.8 | 166.2 | -68.1 | -68.7 | 0 | 0 | 0 | 108.3 | E91 R94 S98 | E91-F96 HydrophobicContact CG-CE2 4.39Å; R94-F96 HydrophobicContact CB-CD2 3.52Å; R94-F96 HydrophobicContact CB-CE2 3.36Å; R94-F96 HydrophobicContact CB-CG 4.4Å; R94-F96 HydrophobicContact CB-CZ 4.1Å; R94-F96 VanDerWaalsContact CD-CE2 3.44Å; R94-F96 HydrophobicContact CG-CE2 4.03Å; R94-F96 PolarHBondContact O-N 3.08Å; F96-S98 PolarHBondContact O-N 2.66Å | ||
| 97 | N | 62.9 | Low | 70.1 | Confident | 97 Ų | 97 | 119.8 Ų | 119.8 | 52% | 0.519 | 59% | 0.59 | S | S | . | * | trans | -64.3 | 90.5 | 158.5 | -77.1 | -16.7 | 0 | 0 | 0 | 106.4 | R95 T99 I100 | R95-N97 PolarHBondContact O-N 3.42Å; N97-T99 PolarHBondContact O-N 3.2Å; N97-I100 HydrophobicContact CB-CB 4.35Å; N97-I100 HydrophobicContact CB-CD1 3.68Å; N97-I100 HydrophobicContact CB-CG1 3.89Å; N97-I100 PolarHBondContact O-N 2.92Å | ||
| 98 | S | 58.8 | Low | 70.2 | Confident | 87 Ų | 87 | 115.1 Ų | 115.1 | 61% | 0.608 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.4 | -19.8 | -174.4 | 78 | 0 | 0 | 0 | 0 | 112 | F96 R102 | F96-S98 PolarHBondContact O-N 2.66Å; S98-R102 VanDerWaalsContact O-CB 3.24Å; S98-R102 WeakPolarHBondContact O-CB 3.48Å; S98-R102 PolarHBondContact O-N 2.89Å |
| 99 | T | 62.7 | Low | 70.5 | Confident | 116 Ų | 116 | 123.6 Ų | 123.6 | 71% | 0.712 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | -37.5 | 174.4 | 52.5 | 0 | 0 | 0 | 0 | 113.3 | N97 | N97-T99 PolarHBondContact O-N 3.2Š|
| 100 | I | 61.5 | Low | 70.8 | Confident | 120 Ų | 120 | 128.1 Ų | 128.1 | 62% | 0.615 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | -35.8 | -176 | -58.5 | 175.7 | 0 | 0 | 0 | 110.9 | N97 | N97-I100 HydrophobicContact CB-CB 4.35Å; N97-I100 HydrophobicContact CB-CD1 3.68Å; N97-I100 HydrophobicContact CB-CG1 3.89Å; N97-I100 PolarHBondContact O-N 2.92Å |
| 101 | N | 57.4 | Low | 71.2 | Confident | 116 Ų | 116 | 129.2 Ų | 129.2 | 62% | 0.62 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -95.1 | 1.5 | -177 | -71.6 | -35.3 | 0 | 0 | 0 | 114.3 | T103 | N101-T103 PolarHBondContact O-N 2.86Š|
| 102 | R | 60.8 | Low | 71.6 | Confident | 215 Ų | 215 | 127.1 Ų | 127.1 | 81% | 0.811 | 62% | 0.622 | S | S | * | * | trans | -84.2 | 61.4 | 174 | -165.1 | 171.2 | -175.4 | 141.3 | -1.8 | 110 | S98 A104 | S98-R102 VanDerWaalsContact O-CB 3.24Å; S98-R102 WeakPolarHBondContact O-CB 3.48Å; S98-R102 PolarHBondContact O-N 2.89Å; R102-A104 PolarHBondContact O-N 3.41Å | ||
| 103 | T | 66.4 | Low | 72.2 | Confident | 117 Ų | 117 | 127.1 Ų | 127.1 | 72% | 0.718 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 130.9 | 159.2 | 51.6 | 0 | 0 | 0 | 0 | 107.1 | N101 K105 | N101-T103 PolarHBondContact O-N 2.86Å; T103-K105 PolarHBondContact O-N 3.09Å |
| 104 | A | 69.9 | Low | 72.7 | Confident | 92 Ų | 92 | 134.3 Ų | 134.3 | 76% | 0.76 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 130.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 107.5 | R102 R106 | R102-A104 PolarHBondContact O-N 3.41Å; A104-R106 PolarHBondContact O-N 3.11Å |
| 105 | K | 73.9 | Confident | 73 | Confident | 169 Ų | 169 | 131.6 Ų | 131.6 | 74% | 0.735 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 129.6 | 177.7 | -70.6 | -175.2 | 178.5 | -177.3 | 0 | 107.7 | T103 H107 P108 | T103-K105 PolarHBondContact O-N 3.09Å; K105-H107 PolarHBondContact O-N 3.2Å; K105-H107 VanDerWaalsContact O-N 3.09Å; K105-P108 WeakPolarHBondContact O-CD 3.47Å |
| 106 | R | 81.8 | Confident | 73.3 | Confident | 229 Ų | 229 | 128.6 Ų | 128.6 | 86% | 0.864 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -55.3 | -30.1 | 177.9 | -170.1 | 178.8 | 173 | 179.5 | -0.5 | 112.2 | A104 | A104-R106 PolarHBondContact O-N 3.11Š|
| 107 | H | 83.7 | Confident | 73.8 | Confident | 153 Ų | 153 | 130.4 Ų | 130.4 | 71% | 0.708 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -134.6 | 86.5 | 175.9 | -52.6 | 90.2 | 0 | 0 | 0 | 109.6 | K105 | K105-H107 PolarHBondContact O-N 3.2Å; K105-H107 VanDerWaalsContact O-N 3.09Å |
| 108 | P | 82.1 | Confident | 74.4 | Confident | 82 Ų | 82 | 133.1 Ų | 133.1 | 53% | 0.532 | 67% | 0.668 | S | S | . | * | trans | -74.2 | 148 | 175.1 | 31.5 | -30.7 | 0 | 0 | 0 | 109.9 | K105 V110 | K105-P108 WeakPolarHBondContact O-CD 3.47Å; P108-V110 HydrophobicContact CG-CG2 4.47Å; P108-V110 PolarHBondContact O-N 3.08Å | ||
| 109 | R | 84.6 | Confident | 75 | Confident | 255 Ų | 255 | 137.8 Ų | 137.8 | 96% | 0.962 | 67% | 0.673 | S | S | * | * | trans | -71.7 | 112 | 167.2 | -70.4 | -176.4 | 179.1 | 169.4 | -0.2 | 107.9 | ||||
| 110 | V | 84.8 | Confident | 75.6 | Confident | 101 Ų | 101 | 142.8 Ų | 142.8 | 61% | 0.612 | 68% | 0.684 | S | S | * | * | trans | -90.3 | 127.6 | 175.8 | -176.6 | 0 | 0 | 0 | 0 | 108.4 | P108 L112 | P108-V110 HydrophobicContact CG-CG2 4.47Å; P108-V110 PolarHBondContact O-N 3.08Å; V110-L112 HydrophobicContact CB-CD2 4.42Å; V110-L112 HydrophobicContact CB-CG 4.36Å; V110-L112 HydrophobicContact CG1-CD2 3.72Å; V110-L112 HydrophobicContact CG1-CG 4.06Å; V110-L112 PolarHBondContact O-N 3.06Å | ||
| 111 | A | 83.4 | Confident | 76 | Confident | 63 Ų | 63 | 140.7 Ų | 140.7 | 52% | 0.521 | 68% | 0.681 | S | S | . | * | trans | -82.5 | 65.6 | 180 | 0 | 0 | 0 | 0 | 0 | 111.2 | I113 K114 S115 | A111-I113 PolarHBondContact O-N 3.47Å; A111-K114 HydrophobicContact CB-CB 4.14Å; A111-K114 HydrophobicContact CB-CD 4.44Å; A111-K114 PolarHBondContact O-N 2.92Å; A111-S115 PolarHBondContact O-N 2.98Å; A111-S115 PolarHBondContact O-OG 3.1Å | ||
| 112 | L | 83.7 | Confident | 76.2 | Confident | 103 Ų | 103 | 136.9 Ų | 136.9 | 54% | 0.539 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -56 | -45 | -175 | -66.1 | 171.7 | 0 | 0 | 0 | 112.7 | V110 K114 S115 D116 | V110-L112 HydrophobicContact CB-CD2 4.42Å; V110-L112 HydrophobicContact CB-CG 4.36Å; V110-L112 HydrophobicContact CG1-CD2 3.72Å; V110-L112 HydrophobicContact CG1-CG 4.06Å; V110-L112 PolarHBondContact O-N 3.06Å; L112-K114 VanDerWaalsContact C-N 3.27Å; L112-K114 PolarHBondContact O-N 3.07Å; L112-S115 WeakPolarHBondContact CA-OG 3.27Å; L112-S115 PolarHBondContact O-N 3.36Å; L112-S115 VanDerWaalsContact O-N 3.17Å; L112-S115 PolarHBondContact O-OG 3.4Å; L112-D116 VanDerWaalsContact O-CB 3.27Å; L112-D116 WeakPolarHBondContact O-CB 3.15Å; L112-D116 PolarHBondContact O-N 3.07Å |
| 113 | I | 81.9 | Confident | 76.4 | Confident | 130 Ų | 130 | 130 Ų | 130 | 67% | 0.667 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -59.6 | -40.5 | 178.5 | -61.7 | 170.7 | 0 | 0 | 0 | 111 | A111 F117 Y118 | A111-I113 PolarHBondContact O-N 3.47Å; I113-F117 HydrophobicContact CG2-CB 4.49Å; I113-F117 WeakPolarHBondContact O-CB 3.41Å; I113-F117 PolarHBondContact O-N 2.84Å; I113-Y118 HydrophobicContact CG2-CE2 4.27Å |
| 114 | K | 79.6 | Confident | 76.2 | Confident | 159 Ų | 159 | 131.3 Ų | 131.3 | 69% | 0.691 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -70.4 | -36.9 | 179.1 | -73.3 | -173.2 | 177.2 | -175.6 | 0 | 112.3 | A111 L112 | A111-K114 HydrophobicContact CB-CB 4.14Å; A111-K114 HydrophobicContact CB-CD 4.44Å; A111-K114 PolarHBondContact O-N 2.92Å; L112-K114 VanDerWaalsContact C-N 3.27Å; L112-K114 PolarHBondContact O-N 3.07Å |
| 115 | S | 79 | Confident | 75.5 | Confident | 70 Ų | 70 | 137.5 Ų | 137.5 | 49% | 0.49 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -74.5 | -39.5 | 178.3 | 55.6 | 0 | 0 | 0 | 0 | 112.9 | A111 L112 | A111-S115 PolarHBondContact O-N 2.98Å; A111-S115 PolarHBondContact O-OG 3.1Å; L112-S115 WeakPolarHBondContact CA-OG 3.27Å; L112-S115 PolarHBondContact O-N 3.36Å; L112-S115 VanDerWaalsContact O-N 3.17Å; L112-S115 PolarHBondContact O-OG 3.4Å |
| 116 | D | 77.3 | Confident | 74.7 | Confident | 109 Ų | 109 | 133 Ų | 133 | 58% | 0.583 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -91.4 | -38.6 | -166.4 | -60 | -3.2 | 0 | 0 | 0 | 111.3 | L112 | L112-D116 VanDerWaalsContact O-CB 3.27Å; L112-D116 WeakPolarHBondContact O-CB 3.15Å; L112-D116 PolarHBondContact O-N 3.07Å |
| 117 | F | 74.8 | Confident | 73.4 | Confident | 156 Ų | 156 | 131.5 Ų | 131.5 | 68% | 0.684 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | -40.2 | -175.1 | -165 | -99.2 | 0 | 0 | 0 | 112.7 | I113 R119 | I113-F117 HydrophobicContact CG2-CB 4.49Å; I113-F117 WeakPolarHBondContact O-CB 3.41Å; I113-F117 PolarHBondContact O-N 2.84Å; F117-R119 PolarHBondContact O-N 3.17Å |
| 118 | Y | 75 | Confident | 72 | Confident | 154 Ų | 154 | 127.3 Ų | 127.3 | 60% | 0.604 | 64% | 0.639 | S | S | * | * | trans | -99.3 | 87.3 | -174.7 | -61.3 | -84.3 | 0 | 0 | 0 | 110.9 | I113 | I113-Y118 HydrophobicContact CG2-CE2 4.27Š| ||
| 119 | R | 71.9 | Confident | 70.7 | Confident | 184 Ų | 184 | 133.5 Ų | 133.5 | 69% | 0.694 | 66% | 0.661 | S | S | * | * | trans | -77.9 | 136.6 | 174.5 | -64.1 | -168.3 | 178.8 | -143.9 | 0.7 | 110.8 | F117 S121 G122 | F117-R119 PolarHBondContact O-N 3.17Å; R119-S121 PolarHBondContact O-N 3.28Å; R119-S121 VanDerWaalsContact O-N 3.1Å; R119-G122 PolarHBondContact O-N 3.31Å | ||
| 120 | K | 73.6 | Confident | 69.4 | Low | 221 Ų | 221 | 124.2 Ų | 124.2 | 96% | 0.961 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.8 | -20.3 | 178 | -66.9 | -175.4 | 179.3 | -179 | 0 | 113.8 | ||
| 121 | S | 69.6 | Low | 68 | Low | 77 Ų | 77 | 130.7 Ų | 130.7 | 54% | 0.538 | 66% | 0.659 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.2 | -6.7 | -176.1 | 53.6 | 0 | 0 | 0 | 0 | 114.4 | R119 I123 | R119-S121 PolarHBondContact O-N 3.28Å; R119-S121 VanDerWaalsContact O-N 3.1Å; S121-I123 WeakPolarHBondContact O-CG1 3.4Å; S121-I123 PolarHBondContact O-N 2.9Å |
| 122 | G | 63.3 | Low | 66.4 | Low | 35 Ų | 35 | 129.3 Ų | 129.3 | 36% | 0.361 | 65% | 0.651 | S | S | . | * | trans | 63.9 | -1.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | R119 | R119-G122 PolarHBondContact O-N 3.31Š| ||
| 123 | I | 64.7 | Low | 65.1 | Low | 70 Ų | 70 | 129.4 Ų | 129.4 | 36% | 0.359 | 66% | 0.66 | S | S | . | * | trans | -91.6 | 112.7 | -177 | -58.8 | 157.1 | 0 | 0 | 0 | 109.4 | S121 V134 | S121-I123 WeakPolarHBondContact O-CG1 3.4Å; S121-I123 PolarHBondContact O-N 2.9Å; I123-V134 HydrophobicContact CG1-CG1 4.21Å; I123-V134 HydrophobicContact CG2-CG1 4.18Å | ||
| 124 | I | 61.8 | Low | 63.9 | Low | 146 Ų | 146 | 127.8 Ų | 127.8 | 75% | 0.749 | 66% | 0.657 | S | S | * | * | trans | -91.8 | 112.8 | 168.8 | 17.1 | 170.4 | 0 | 0 | 0 | 108.3 | S126 | I124-S126 PolarHBondContact O-N 3.03Š| ||
| 125 | W | 55 | Low | 62.7 | Low | 221 Ų | 221 | 125.1 Ų | 125.1 | 84% | 0.837 | 65% | 0.654 | S | S | * | * | trans | -80.4 | 108.5 | 172.1 | -76.8 | 57.6 | 0 | 0 | 0 | 108.5 | ||||
| 126 | S | 56.8 | Low | 61.5 | Low | 76 Ų | 76 | 126.7 Ų | 126.7 | 53% | 0.531 | 66% | 0.662 | S | S | . | * | trans | -82.9 | 122.6 | 167.8 | 57.8 | 0 | 0 | 0 | 0 | 109.3 | I124 A128 | I124-S126 PolarHBondContact O-N 3.03Å; S126-A128 PolarHBondContact O-N 3.38Å | ||
| 127 | M | 55 | Low | 60.2 | Low | 197 Ų | 197 | 132.1 Ų | 132.1 | 97% | 0.97 | 69% | 0.69 | S | S | * | * | trans | -81.2 | 54.9 | 173.2 | -68.5 | 179.9 | -84.4 | 0 | 0 | 110.4 | ||||
| 128 | A | 54.8 | Low | 59.5 | Low | 65 Ų | 65 | 130.9 Ų | 130.9 | 54% | 0.537 | 69% | 0.69 | S | S | . | * | trans | -87.2 | 133.1 | 163.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | S126 G130 | S126-A128 PolarHBondContact O-N 3.38Å; A128-G130 PolarHBondContact O-N 3.03Å | ||
| 129 | E | 54.4 | Low | 58.7 | Low | 212 Ų | 212 | 129.7 Ų | 129.7 | 99% | 0.991 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -55.2 | 105.1 | 174.6 | -80.5 | 177.8 | 147.8 | 0 | 0 | 109.6 | ||
| 130 | G | 56.4 | Low | 58 | Low | 59 Ų | 59 | 126.7 Ų | 126.7 | 61% | 0.608 | 69% | 0.694 | S | S | * | * | S | Bend | trans | 111.8 | 92.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | A128 G132 | A128-G130 PolarHBondContact O-N 3.03Å; G130-G132 PolarHBondContact O-N 3.35Å |
| 131 | Y | 56.6 | Low | 57.1 | Low | 237 Ų | 237 | 121.1 Ų | 121.1 | 93% | 0.929 | 68% | 0.679 | S | S | * | * | trans | -5 | 92 | 171.1 | -72.6 | -91.4 | 0 | 0 | 0 | 115.2 | ||||
| 132 | G | 49.1 | Very low | 56.3 | Low | 34 Ų | 34 | 123.9 Ų | 123.9 | 35% | 0.351 | 69% | 0.688 | S | S | . | * | trans | -63.6 | 138.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | G130 V134 | G130-G132 PolarHBondContact O-N 3.35Å; G132-V134 PolarHBondContact O-N 3.23Å | ||
| 133 | S | 57.3 | Low | 55.8 | Low | 105 Ų | 105 | 129.8 Ų | 129.8 | 73% | 0.734 | 71% | 0.709 | S | S | * | * | trans | -52.5 | 125.3 | 173.8 | 174.6 | 0 | 0 | 0 | 0 | 111.4 | V135 | S133-V135 PolarHBondContact O-N 2.92Š| ||
| 134 | V | 55.3 | Low | 55.2 | Low | 97 Ų | 97 | 134.1 Ų | 134.1 | 59% | 0.588 | 73% | 0.734 | S | S | * | * | trans | -77.6 | 101.9 | 170.9 | 179.7 | 0 | 0 | 0 | 0 | 107.8 | I123 G132 P136 | I123-V134 HydrophobicContact CG1-CG1 4.21Å; I123-V134 HydrophobicContact CG2-CG1 4.18Å; G132-V134 PolarHBondContact O-N 3.23Å; V134-P136 WeakPolarHBondContact O-CD 3.42Å | ||
| 135 | V | 54.7 | Low | 54.7 | Low | 103 Ų | 103 | 133.2 Ų | 133.2 | 62% | 0.624 | 73% | 0.733 | S | S | * | * | trans | -96.4 | 111.1 | 168.6 | -177 | 0 | 0 | 0 | 0 | 107.8 | S133 | S133-V135 PolarHBondContact O-N 2.92Š| ||
| 136 | P | 54.6 | Low | 54.6 | Low | 103 Ų | 103 | 125.8 Ų | 125.8 | 67% | 0.669 | 73% | 0.725 | S | S | * | * | trans | -69.3 | 140.2 | 169 | 29.1 | -31.2 | 0 | 0 | 0 | 109.7 | V134 | V134-P136 WeakPolarHBondContact O-CD 3.42Š| ||
| 137 | L | 50.8 | Low | 54.4 | Low | 222 Ų | 222 | 130.4 Ų | 130.4 | 100% | 1.162 | 74% | 0.742 | S | S | * | * | trans | -75.6 | 0 | 166.1 | -84.5 | 164.3 | 0 | 0 | 0 | 111 |
Retrieved 137 of 137 residues in 200.3 ms
(Link to these results)