| 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 | 36 | Very low | 53.6 | Low | 222 Ų | 222 | 155.7 Ų | 155.7 | 100% | 1.094 | 76% | 0.761 | S | S | * | * | 0 | 102.6 | 0 | -109.6 | 163.1 | -140 | 0 | 0 | 103.2 | D3 | M1-D3 PolarHBondContact O-N 3.41Š| |||
| 2 | E | 43.4 | Very low | 54 | Low | 196 Ų | 196 | 152 Ų | 152 | 92% | 0.916 | 74% | 0.741 | S | S | * | * | trans | -75.9 | 104.7 | 168.2 | -74 | 165.6 | 172.9 | 0 | 0 | 103.8 | E4 | E2-E4 PolarHBondContact O-N 3.42Š| ||
| 3 | D | 45.1 | Very low | 54.7 | Low | 142 Ų | 142 | 143.9 Ų | 143.9 | 76% | 0.759 | 71% | 0.714 | S | S | * | * | trans | -64.4 | 102.3 | 173.5 | -58.7 | -51.4 | 0 | 0 | 0 | 105.9 | M1 E5 | M1-D3 PolarHBondContact O-N 3.41Å; D3-E5 VanDerWaalsContact C-N 3.34Å; D3-E5 PolarHBondContact O-N 2.82Å | ||
| 4 | E | 54 | Low | 55.5 | Low | 179 Ų | 179 | 138.7 Ų | 138.7 | 84% | 0.836 | 71% | 0.705 | S | S | * | * | trans | -60.5 | 103.5 | 172.7 | -168.8 | 152.2 | -168.1 | 0 | 0 | 105.9 | E2 V6 | E2-E4 PolarHBondContact O-N 3.42Å; E4-V6 WeakPolarHBondContact O-CG2 3.08Å; E4-V6 PolarHBondContact O-N 2.91Å | ||
| 5 | E | 56.4 | Low | 56 | Low | 180 Ų | 180 | 138.9 Ų | 138.9 | 84% | 0.841 | 71% | 0.708 | S | S | * | * | trans | -62.8 | 82.2 | -177.8 | -167.7 | 174.1 | -147 | 0 | 0 | 107.9 | D3 A7 | D3-E5 VanDerWaalsContact C-N 3.34Å; D3-E5 PolarHBondContact O-N 2.82Å; E5-A7 PolarHBondContact O-N 3.35Å | ||
| 6 | V | 57.8 | Low | 57.1 | Low | 116 Ų | 116 | 134.1 Ų | 134.1 | 70% | 0.703 | 69% | 0.691 | S | S | * | * | trans | -65 | 105.3 | 171.8 | 176.5 | 0 | 0 | 0 | 0 | 105.2 | E4 E8 | E4-V6 WeakPolarHBondContact O-CG2 3.08Å; E4-V6 PolarHBondContact O-N 2.91Å; V6-E8 PolarHBondContact O-N 3.05Å | ||
| 7 | A | 52.8 | Low | 58.1 | Low | 42 Ų | 42 | 128.1 Ų | 128.1 | 35% | 0.347 | 67% | 0.669 | S | S | . | * | trans | -50.4 | 111.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | E5 S9 A13 | E5-A7 PolarHBondContact O-N 3.35Å; A7-S9 PolarHBondContact O-N 2.76Å; A7-A13 HydrophobicContact CB-CB 3.81Å | ||
| 8 | E | 50.7 | Low | 59.3 | Low | 193 Ų | 193 | 126.6 Ų | 126.6 | 90% | 0.902 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -71.9 | -10.1 | -172.7 | -61.4 | -176.3 | 163.7 | 0 | 0 | 111.7 | V6 | V6-E8 PolarHBondContact O-N 3.05Š|
| 9 | S | 53.7 | Low | 60.2 | Low | 50 Ų | 50 | 126.8 Ų | 126.8 | 35% | 0.35 | 66% | 0.659 | S | S | . | * | S | Bend | trans | -135.6 | 137.6 | 176.5 | -178.3 | 0 | 0 | 0 | 0 | 111.6 | A7 E11 E12 A13 | A7-S9 PolarHBondContact O-N 2.76Å; S9-E11 PolarHBondContact O-N 3.45Å; S9-E11 VanDerWaalsContact O-N 3.13Å; S9-E11 WeakPolarHBondContact OG-CB 3.49Å; S9-E11 PolarHBondContact OG-N 2.85Å; S9-E12 PolarHBondContact O-N 3.03Å; S9-E12 VanDerWaalsContact O-N 3.1Å; S9-A13 PolarHBondContact O-N 2.89Å |
| 10 | W | 79.6 | Confident | 61.3 | Low | 243 Ų | 243 | 127.7 Ų | 127.7 | 92% | 0.92 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -57.9 | -22 | 171.2 | -80.2 | 84.4 | 0 | 0 | 0 | 113.2 | ||
| 11 | E | 59.7 | Low | 62.4 | Low | 150 Ų | 150 | 128 Ų | 128 | 70% | 0.701 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -73.7 | -42.7 | 175.7 | -171.2 | 171.5 | -156.2 | 0 | 0 | 111.5 | S9 A14 D15 | S9-E11 PolarHBondContact O-N 3.45Å; S9-E11 VanDerWaalsContact O-N 3.13Å; S9-E11 WeakPolarHBondContact OG-CB 3.49Å; S9-E11 PolarHBondContact OG-N 2.85Å; E11-A14 PolarHBondContact O-N 2.93Å; E11-D15 PolarHBondContact O-N 3.18Å |
| 12 | E | 58.6 | Low | 64.7 | Low | 111 Ų | 111 | 125.6 Ų | 125.6 | 52% | 0.519 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -72 | -34.2 | -179.4 | -173 | 170.2 | -157.1 | 0 | 0 | 112.4 | S9 A14 D15 S16 | S9-E12 PolarHBondContact O-N 3.03Å; S9-E12 VanDerWaalsContact O-N 3.1Å; E12-A14 PolarHBondContact O-N 3.42Å; E12-D15 PolarHBondContact O-N 2.81Å; E12-S16 PolarHBondContact O-N 3.1Å |
| 13 | A | 63.3 | Low | 66.7 | Low | 47 Ų | 47 | 120.8 Ų | 120.8 | 39% | 0.388 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -61.6 | -28.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | A7 S9 | A7-A13 HydrophobicContact CB-CB 3.81Å; S9-A13 PolarHBondContact O-N 2.89Å |
| 14 | A | 65.1 | Low | 68.6 | Low | 71 Ų | 71 | 120.1 Ų | 120.1 | 59% | 0.587 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -82.5 | -36.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | E11 E12 | E11-A14 PolarHBondContact O-N 2.93Å; E12-A14 PolarHBondContact O-N 3.42Å |
| 15 | D | 63.8 | Low | 69.9 | Low | 142 Ų | 142 | 114.2 Ų | 114.2 | 76% | 0.759 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -81.5 | -14.5 | -176.2 | -87.5 | -2.4 | 0 | 0 | 0 | 114.5 | E11 E12 G17 | E11-D15 PolarHBondContact O-N 3.18Å; E12-D15 PolarHBondContact O-N 2.81Å; D15-G17 PolarHBondContact O-N 3.2Å; D15-G17 VanDerWaalsContact O-N 3.08Å |
| 16 | S | 72.9 | Confident | 71 | Confident | 62 Ų | 62 | 112 Ų | 112 | 43% | 0.434 | 57% | 0.573 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.6 | -16.1 | -177.5 | 177.4 | 0 | 0 | 0 | 0 | 115 | E12 E18 R21 | E12-S16 PolarHBondContact O-N 3.1Å; S16-E18 PolarHBondContact O-N 2.9Å; S16-R21 PolarHBondContact O-NH1 2.9Å; S16-R21 VanDerWaalsContact O-NH1 3.17Å; S16-R21 PolarHBondContact O-NH2 3.07Å |
| 17 | G | 74.9 | Confident | 72.1 | Confident | 31 Ų | 31 | 111.6 Ų | 111.6 | 32% | 0.32 | 57% | 0.566 | S | S | . | * | trans | 64.3 | 7.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | D15 I19 E20 R21 | D15-G17 PolarHBondContact O-N 3.2Å; D15-G17 VanDerWaalsContact O-N 3.08Å; G17-I19 VanDerWaalsContact C-N 3.28Å; G17-I19 PolarHBondContact O-N 3.29Å; G17-E20 PolarHBondContact O-N 3.49Å; G17-R21 PolarHBondContact O-N 3.49Å | ||
| 18 | E | 79.9 | Confident | 73.2 | Confident | 102 Ų | 102 | 115.9 Ų | 115.9 | 48% | 0.477 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -58.4 | -39.5 | 179.9 | -173.2 | 68.6 | -156.8 | 0 | 0 | 111.9 | S16 E20 R21 R22 | S16-E18 PolarHBondContact O-N 2.9Å; E18-E20 PolarHBondContact O-N 2.96Å; E18-R21 PolarHBondContact O-N 3.26Å; E18-R21 IonicContact OE2-CZ 2.61Å; E18-R21 IonicContact OE2-NE 3.24Å; E18-R21 IonicContact OE2-NH2 2.76Å; E18-R21 PolarHBondContact OE2-NH2 2.89Å; E18-R22 WeakPolarHBondContact O-CB 3.04Å; E18-R22 PolarHBondContact O-N 3.22Å |
| 19 | I | 76.4 | Confident | 74 | Confident | 130 Ų | 130 | 112 Ų | 112 | 67% | 0.667 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -63.6 | -42.3 | -180 | -61.2 | 168.7 | 0 | 0 | 0 | 110.7 | G17 L23 | G17-I19 VanDerWaalsContact C-N 3.28Å; G17-I19 PolarHBondContact O-N 3.29Å; I19-L23 WeakPolarHBondContact O-CB 3.15Å; I19-L23 PolarHBondContact O-N 2.72Å |
| 20 | E | 82.8 | Confident | 74.6 | Confident | 145 Ų | 145 | 113.8 Ų | 113.8 | 68% | 0.678 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -66.1 | -48 | 178.9 | -170.1 | 108.7 | -118.1 | 0 | 0 | 110.7 | G17 E18 R22 L23 E24 | G17-E20 PolarHBondContact O-N 3.49Å; E18-E20 PolarHBondContact O-N 2.96Å; E20-R22 PolarHBondContact O-N 3.41Å; E20-L23 WeakPolarHBondContact O-CB 3.24Å; E20-L23 PolarHBondContact O-N 3.36Å; E20-E24 PolarHBondContact O-N 3.23Å |
| 21 | R | 84.2 | Confident | 74 | Confident | 134 Ų | 134 | 107.7 Ų | 107.7 | 51% | 0.506 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -58 | -45.9 | 176 | -74.3 | -170.6 | -66.3 | -87.1 | 0.7 | 112.1 | S16 G17 E18 L23 E24 A25 | S16-R21 PolarHBondContact O-NH1 2.9Å; S16-R21 VanDerWaalsContact O-NH1 3.17Å; S16-R21 PolarHBondContact O-NH2 3.07Å; G17-R21 PolarHBondContact O-N 3.49Å; E18-R21 PolarHBondContact O-N 3.26Å; E18-R21 IonicContact OE2-CZ 2.61Å; E18-R21 IonicContact OE2-NE 3.24Å; E18-R21 IonicContact OE2-NH2 2.76Å; E18-R21 PolarHBondContact OE2-NH2 2.89Å; R21-L23 VanDerWaalsContact C-N 3.32Å; R21-L23 PolarHBondContact O-N 3.34Å; R21-E24 PolarHBondContact O-N 2.91Å; R21-A25 WeakPolarHBondContact O-CB 3.39Å; R21-A25 PolarHBondContact O-N 3.05Å |
| 22 | R | 83.9 | Confident | 74 | Confident | 172 Ų | 172 | 106 Ų | 106 | 65% | 0.649 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -64.7 | -37.1 | 178.9 | -170 | 177.8 | -177.5 | 98.1 | -2.5 | 111.7 | E18 E20 K26 | E18-R22 WeakPolarHBondContact O-CB 3.04Å; E18-R22 PolarHBondContact O-N 3.22Å; E20-R22 PolarHBondContact O-N 3.41Å; R22-K26 WeakPolarHBondContact O-CB 3.34Å; R22-K26 VanDerWaalsContact O-CG 3.29Å; R22-K26 WeakPolarHBondContact O-CG 3.38Å; R22-K26 PolarHBondContact O-N 3.32Å; R22-K26 VanDerWaalsContact O-N 3.15Å |
| 23 | L | 85.1 | Confident | 74 | Confident | 95 Ų | 95 | 103 Ų | 103 | 50% | 0.497 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66.4 | -47.2 | 176.5 | -178.1 | 62.3 | 0 | 0 | 0 | 111.4 | I19 E20 R21 K26 L27 | I19-L23 WeakPolarHBondContact O-CB 3.15Å; I19-L23 PolarHBondContact O-N 2.72Å; E20-L23 WeakPolarHBondContact O-CB 3.24Å; E20-L23 PolarHBondContact O-N 3.36Å; R21-L23 VanDerWaalsContact C-N 3.32Å; R21-L23 PolarHBondContact O-N 3.34Å; L23-K26 PolarHBondContact O-N 3.2Å; L23-L27 HydrophobicContact CG-CD1 4.32Å; L23-L27 WeakPolarHBondContact O-CG 3.45Å; L23-L27 PolarHBondContact O-N 2.98Å |
| 24 | E | 84.8 | Confident | 73.7 | Confident | 128 Ų | 128 | 107.5 Ų | 107.5 | 60% | 0.598 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -61.5 | -46 | 179 | -171.3 | 178.2 | -161.5 | 0 | 0 | 111.7 | E20 R21 K26 L27 K28 | E20-E24 PolarHBondContact O-N 3.23Å; R21-E24 PolarHBondContact O-N 2.91Å; E24-K26 VanDerWaalsContact C-N 3.34Å; E24-K26 PolarHBondContact O-N 2.87Å; E24-L27 PolarHBondContact O-N 3.27Å; E24-K28 PolarHBondContact O-N 3.22Å |
| 25 | A | 82.2 | Confident | 73.3 | Confident | 54 Ų | 54 | 110 Ų | 110 | 45% | 0.446 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -57.7 | -45.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | R21 L27 K28 I29 | R21-A25 WeakPolarHBondContact O-CB 3.39Å; R21-A25 PolarHBondContact O-N 3.05Å; A25-L27 PolarHBondContact O-N 3.22Å; A25-K28 PolarHBondContact O-N 3.07Å; A25-I29 VanDerWaalsContact O-CG1 3.32Å; A25-I29 WeakPolarHBondContact O-CG1 3.42Å; A25-I29 PolarHBondContact O-N 3.48Å; A25-I29 VanDerWaalsContact O-N 3.1Å |
| 26 | K | 79.7 | Confident | 72.9 | Confident | 135 Ų | 135 | 107.5 Ų | 107.5 | 59% | 0.587 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.7 | -39 | 177.6 | -75.4 | -179.4 | 70.2 | 179 | 0 | 112.5 | R22 L23 E24 N30 | R22-K26 WeakPolarHBondContact O-CB 3.34Å; R22-K26 VanDerWaalsContact O-CG 3.29Å; R22-K26 WeakPolarHBondContact O-CG 3.38Å; R22-K26 PolarHBondContact O-N 3.32Å; R22-K26 VanDerWaalsContact O-N 3.15Å; L23-K26 PolarHBondContact O-N 3.2Å; E24-K26 VanDerWaalsContact C-N 3.34Å; E24-K26 PolarHBondContact O-N 2.87Å; K26-N30 WeakPolarHBondContact O-CB 3.45Å; K26-N30 PolarHBondContact O-N 3.41Å; K26-N30 VanDerWaalsContact O-N 3.07Å |
| 27 | L | 78.9 | Confident | 71.9 | Confident | 106 Ų | 106 | 108.8 Ų | 108.8 | 56% | 0.555 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -67 | -38.6 | 177.8 | -74 | 175.6 | 0 | 0 | 0 | 112.1 | L23 E24 A25 N30 Q31 | L23-L27 HydrophobicContact CG-CD1 4.32Å; L23-L27 WeakPolarHBondContact O-CG 3.45Å; L23-L27 PolarHBondContact O-N 2.98Å; E24-L27 PolarHBondContact O-N 3.27Å; A25-L27 PolarHBondContact O-N 3.22Å; L27-N30 PolarHBondContact O-N 3.48Å; L27-Q31 PolarHBondContact O-N 3.2Å |
| 28 | K | 76 | Confident | 70.8 | Confident | 133 Ų | 133 | 114.7 Ų | 114.7 | 58% | 0.578 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -66.1 | -45.8 | 178.8 | -151.4 | 155.5 | -178.2 | 173.1 | 0 | 111.7 | E24 A25 N30 Q31 E32 | E24-K28 PolarHBondContact O-N 3.22Å; A25-K28 PolarHBondContact O-N 3.07Å; K28-N30 VanDerWaalsContact C-N 3.33Å; K28-N30 PolarHBondContact O-N 3.02Å; K28-Q31 WeakPolarHBondContact O-CB 3.29Å; K28-Q31 PolarHBondContact O-N 3.3Å; K28-E32 WeakPolarHBondContact O-CG 3.48Å; K28-E32 PolarHBondContact O-N 3.16Å |
| 29 | I | 68.8 | Low | 69.6 | Low | 110 Ų | 110 | 118.2 Ų | 118.2 | 56% | 0.564 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -60.7 | -41.2 | 174.2 | -64.8 | 165 | 0 | 0 | 0 | 111.2 | A25 E32 A33 | A25-I29 VanDerWaalsContact O-CG1 3.32Å; A25-I29 WeakPolarHBondContact O-CG1 3.42Å; A25-I29 PolarHBondContact O-N 3.48Å; A25-I29 VanDerWaalsContact O-N 3.1Å; I29-E32 PolarHBondContact O-N 3.42Å; I29-A33 WeakPolarHBondContact O-CB 3.26Å; I29-A33 PolarHBondContact O-N 3.21Å |
| 30 | N | 66.2 | Low | 68.2 | Low | 89 Ų | 89 | 116.6 Ų | 116.6 | 48% | 0.476 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -68.2 | -35.9 | 179.1 | -131.9 | -92.6 | 0 | 0 | 0 | 112.5 | K26 L27 K28 K34 | K26-N30 WeakPolarHBondContact O-CB 3.45Å; K26-N30 PolarHBondContact O-N 3.41Å; K26-N30 VanDerWaalsContact O-N 3.07Å; L27-N30 PolarHBondContact O-N 3.48Å; K28-N30 VanDerWaalsContact C-N 3.33Å; K28-N30 PolarHBondContact O-N 3.02Å; N30-K34 WeakPolarHBondContact O-CB 3.3Å; N30-K34 VanDerWaalsContact O-CG 3.24Å; N30-K34 WeakPolarHBondContact O-CG 3.22Å; N30-K34 PolarHBondContact O-N 3.26Å; N30-K34 WeakPolarHBondContact OD1-CE 3.37Å |
| 31 | Q | 66.4 | Low | 66.8 | Low | 115 Ų | 115 | 114.7 Ų | 114.7 | 54% | 0.537 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -63.8 | -43 | 172.5 | -98.8 | -162.8 | 57 | 0 | 0 | 111.9 | L27 K28 K34 K35 | L27-Q31 PolarHBondContact O-N 3.2Å; K28-Q31 WeakPolarHBondContact O-CB 3.29Å; K28-Q31 PolarHBondContact O-N 3.3Å; Q31-K34 PolarHBondContact O-N 3.24Å; Q31-K35 WeakPolarHBondContact O-CD 3.48Å; Q31-K35 VanDerWaalsContact O-CG 3.26Å; Q31-K35 WeakPolarHBondContact O-CG 3.5Å; Q31-K35 PolarHBondContact O-N 3.46Å |
| 32 | E | 59.5 | Low | 65.7 | Low | 115 Ų | 115 | 113.9 Ų | 113.9 | 54% | 0.537 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -68.2 | -42.8 | 179.1 | -69.5 | 179.3 | 157.2 | 0 | 0 | 111.5 | K28 I29 K34 K35 T36 | K28-E32 WeakPolarHBondContact O-CG 3.48Å; K28-E32 PolarHBondContact O-N 3.16Å; I29-E32 PolarHBondContact O-N 3.42Å; E32-K34 VanDerWaalsContact C-N 3.35Å; E32-K34 PolarHBondContact O-N 3.24Å; E32-K35 PolarHBondContact O-N 3.07Å; E32-K35 VanDerWaalsContact O-N 3.16Å; E32-T36 PolarHBondContact O-N 2.98Å; E32-T36 VanDerWaalsContact O-N 3.07Å; E32-T36 PolarHBondContact O-OG1 3.07Å |
| 33 | A | 58.6 | Low | 64 | Low | 48 Ų | 48 | 111 Ų | 111 | 40% | 0.397 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -62.5 | -37.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | I29 K35 T36 S37 | I29-A33 WeakPolarHBondContact O-CB 3.26Å; I29-A33 PolarHBondContact O-N 3.21Å; A33-K35 VanDerWaalsContact C-N 3.32Å; A33-K35 PolarHBondContact O-N 2.88Å; A33-T36 PolarHBondContact O-N 3.23Å; A33-T36 PolarHBondContact O-OG1 3.4Å; A33-S37 WeakPolarHBondContact O-CB 3.49Å; A33-S37 PolarHBondContact O-N 3.33Å |
| 34 | K | 58.3 | Low | 62.4 | Low | 140 Ų | 140 | 112 Ų | 112 | 61% | 0.609 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -68 | -31 | 175.3 | -75.5 | 177.1 | -177.5 | -177.7 | 0 | 112.7 | N30 Q31 E32 | N30-K34 WeakPolarHBondContact O-CB 3.3Å; N30-K34 VanDerWaalsContact O-CG 3.24Å; N30-K34 WeakPolarHBondContact O-CG 3.22Å; N30-K34 PolarHBondContact O-N 3.26Å; N30-K34 WeakPolarHBondContact OD1-CE 3.37Å; Q31-K34 PolarHBondContact O-N 3.24Å; E32-K34 VanDerWaalsContact C-N 3.35Å; E32-K34 PolarHBondContact O-N 3.24Å |
| 35 | K | 56.9 | Low | 60.7 | Low | 124 Ų | 124 | 112 Ų | 112 | 54% | 0.539 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -77.7 | -29.8 | 177.7 | -68.3 | 168.1 | -171.7 | 174.5 | 0 | 112.5 | Q31 E32 A33 | Q31-K35 WeakPolarHBondContact O-CD 3.48Å; Q31-K35 VanDerWaalsContact O-CG 3.26Å; Q31-K35 WeakPolarHBondContact O-CG 3.5Å; Q31-K35 PolarHBondContact O-N 3.46Å; E32-K35 PolarHBondContact O-N 3.07Å; E32-K35 VanDerWaalsContact O-N 3.16Å; A33-K35 VanDerWaalsContact C-N 3.32Å; A33-K35 PolarHBondContact O-N 2.88Å |
| 36 | T | 53.8 | Low | 59.6 | Low | 90 Ų | 90 | 121.1 Ų | 121.1 | 55% | 0.552 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -89.2 | -29.2 | 177.4 | 58.5 | 0 | 0 | 0 | 0 | 113.1 | E32 A33 L38 K39 S40 | E32-T36 PolarHBondContact O-N 2.98Å; E32-T36 VanDerWaalsContact O-N 3.07Å; E32-T36 PolarHBondContact O-OG1 3.07Å; A33-T36 PolarHBondContact O-N 3.23Å; A33-T36 PolarHBondContact O-OG1 3.4Å; T36-L38 PolarHBondContact O-N 3.1Å; T36-K39 PolarHBondContact O-N 3.03Å; T36-S40 PolarHBondContact O-N 2.89Å |
| 37 | S | 52.2 | Low | 58.4 | Low | 89 Ų | 89 | 119.8 Ų | 119.8 | 62% | 0.622 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | -19.2 | 175.2 | -173.9 | 0 | 0 | 0 | 0 | 113.6 | A33 K39 | A33-S37 WeakPolarHBondContact O-CB 3.49Å; A33-S37 PolarHBondContact O-N 3.33Å; S37-K39 VanDerWaalsContact C-N 3.29Å |
| 38 | L | 53.1 | Low | 57.3 | Low | 155 Ų | 155 | 119 Ų | 119 | 81% | 0.812 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -9.3 | 172.7 | -64.7 | 173.3 | 0 | 0 | 0 | 113.3 | T36 | T36-L38 PolarHBondContact O-N 3.1Š|
| 39 | K | 54.1 | Low | 56.2 | Low | 176 Ų | 176 | 120 Ų | 120 | 77% | 0.765 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.2 | -4.9 | -174.6 | -56.2 | -174.2 | -173.3 | -175.8 | 0 | 114.2 | T36 S37 | T36-K39 PolarHBondContact O-N 3.03Å; S37-K39 VanDerWaalsContact C-N 3.29Å |
| 40 | S | 46.4 | Very low | 55.9 | Low | 95 Ų | 95 | 120.3 Ų | 120.3 | 66% | 0.664 | 68% | 0.683 | S | S | * | * | trans | -135.3 | 72.3 | 178.5 | -62.1 | 0 | 0 | 0 | 0 | 110.5 | T36 S42 | T36-S40 PolarHBondContact O-N 2.89Å; S40-S42 VanDerWaalsContact C-N 3.26Å; S40-S42 PolarHBondContact O-N 3.23Å; S40-S42 VanDerWaalsContact O-N 3.07Å | ||
| 41 | A | 54.3 | Low | 55.6 | Low | 106 Ų | 106 | 122.5 Ų | 122.5 | 88% | 0.876 | 70% | 0.699 | S | S | * | * | trans | -71.9 | 83.2 | 158.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 42 | S | 60.5 | Low | 55.2 | Low | 116 Ų | 116 | 124.7 Ų | 124.7 | 81% | 0.811 | 71% | 0.709 | S | S | * | * | trans | -174 | 97.5 | 159.2 | -170.9 | 0 | 0 | 0 | 0 | 112.6 | S40 | S40-S42 VanDerWaalsContact C-N 3.26Å; S40-S42 PolarHBondContact O-N 3.23Å; S40-S42 VanDerWaalsContact O-N 3.07Å | ||
| 43 | S | 48.6 | Very low | 55.4 | Low | 112 Ų | 112 | 124.7 Ų | 124.7 | 78% | 0.783 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -178.2 | 158.3 | 144.4 | -140.6 | 0 | 0 | 0 | 0 | 110.4 | ||
| 44 | P | 51.3 | Low | 55.5 | Low | 116 Ų | 116 | 130.1 Ų | 130.1 | 75% | 0.753 | 74% | 0.735 | S | S | * | * | -117.9 | 89.1 | -107.1 | 32.7 | -11.1 | 0 | 0 | 0 | 110.7 | |||||
| 45 | V | 49 | Very low | 55.9 | Low | 127 Ų | 127 | 127.1 Ų | 127.1 | 77% | 0.77 | 73% | 0.732 | S | S | * | * | trans | -104.1 | 102.4 | 156.5 | -178.6 | 0 | 0 | 0 | 0 | 105.1 | T47 | V45-T47 PolarHBondContact O-N 2.93Š| ||
| 46 | R | 58 | Low | 56.2 | Low | 246 Ų | 246 | 127.6 Ų | 127.6 | 93% | 0.928 | 74% | 0.739 | S | S | * | * | trans | -69.7 | 77.8 | 172.1 | -70.1 | -164 | -175.1 | -172.6 | 3.1 | 108.5 | A48 | R46-A48 PolarHBondContact O-N 2.88Š| ||
| 47 | T | 56.3 | Low | 57.1 | Low | 108 Ų | 108 | 129.1 Ų | 129.1 | 66% | 0.663 | 75% | 0.751 | S | S | * | * | trans | -63.4 | 123.3 | 149.7 | 35.6 | 0 | 0 | 0 | 0 | 106 | V45 I49 | V45-T47 PolarHBondContact O-N 2.93Å; T47-I49 PolarHBondContact O-N 2.94Å | ||
| 48 | A | 55.5 | Low | 58.2 | Low | 90 Ų | 90 | 129.5 Ų | 129.5 | 74% | 0.744 | 76% | 0.759 | S | S | * | * | trans | -50.5 | 112.8 | 173 | 0 | 0 | 0 | 0 | 0 | 107.6 | R46 V50 | R46-A48 PolarHBondContact O-N 2.88Å; A48-V50 VanDerWaalsContact C-N 3.26Å; A48-V50 PolarHBondContact O-N 3.47Å | ||
| 49 | I | 52.7 | Low | 59.4 | Low | 153 Ų | 153 | 126.3 Ų | 126.3 | 79% | 0.785 | 76% | 0.755 | S | S | * | * | trans | -70.5 | 95.6 | 175.8 | -57.7 | 173.2 | 0 | 0 | 0 | 104.7 | T47 V51 | T47-I49 PolarHBondContact O-N 2.94Å; I49-V51 PolarHBondContact O-N 3.23Å | ||
| 50 | V | 61.8 | Low | 60.8 | Low | 117 Ų | 117 | 123.6 Ų | 123.6 | 71% | 0.709 | 76% | 0.755 | S | S | * | * | trans | -65.7 | 110.7 | 162.8 | 174.2 | 0 | 0 | 0 | 0 | 104.4 | A48 Q52 | A48-V50 VanDerWaalsContact C-N 3.26Å; A48-V50 PolarHBondContact O-N 3.47Å; V50-Q52 VanDerWaalsContact C-N 3.25Å; V50-Q52 PolarHBondContact O-N 3.24Å | ||
| 51 | V | 60.9 | Low | 62.6 | Low | 135 Ų | 135 | 124.1 Ų | 124.1 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | trans | -61.5 | 98.3 | 168.7 | 177 | 0 | 0 | 0 | 0 | 105.5 | I49 D53 | I49-V51 PolarHBondContact O-N 3.23Å; V51-D53 PolarHBondContact O-N 2.9Å | ||
| 52 | Q | 57.4 | Low | 64.1 | Low | 161 Ų | 161 | 125.2 Ų | 125.2 | 75% | 0.752 | 76% | 0.755 | S | S | * | * | trans | -80.3 | 116.2 | 175.4 | -157.2 | 156 | 16.2 | 0 | 0 | 105.3 | V50 D54 | V50-Q52 VanDerWaalsContact C-N 3.25Å; V50-Q52 PolarHBondContact O-N 3.24Å; Q52-D54 PolarHBondContact O-N 3.36Å | ||
| 53 | D | 63.2 | Low | 65.4 | Low | 115 Ų | 115 | 128.2 Ų | 128.2 | 62% | 0.615 | 76% | 0.756 | S | S | * | * | trans | -56.2 | 110.2 | 171.8 | -174.3 | 23.3 | 0 | 0 | 0 | 107.8 | V51 S55 L56 | V51-D53 PolarHBondContact O-N 2.9Å; D53-S55 VanDerWaalsContact CG-OG 3.23Å; D53-S55 PolarHBondContact O-N 3.46Å; D53-S55 PolarHBondContact OD2-OG 2.74Å; D53-L56 PolarHBondContact O-N 3.18Å | ||
| 54 | D | 61.4 | Low | 67.2 | Low | 162 Ų | 162 | 130.1 Ų | 130.1 | 87% | 0.866 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | 7.5 | -176.7 | -75.7 | -38.2 | 0 | 0 | 0 | 112.8 | Q52 L56 | Q52-D54 PolarHBondContact O-N 3.36Å; D54-L56 VanDerWaalsContact C-N 3.27Å; D54-L56 PolarHBondContact O-N 2.98Å |
| 55 | S | 65.9 | Low | 69 | Low | 77 Ų | 77 | 135.8 Ų | 135.8 | 54% | 0.538 | 76% | 0.762 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74 | -15.2 | 175.3 | 72.9 | 0 | 0 | 0 | 0 | 113.4 | D53 | D53-S55 VanDerWaalsContact CG-OG 3.23Å; D53-S55 PolarHBondContact O-N 3.46Å; D53-S55 PolarHBondContact OD2-OG 2.74Å |
| 56 | L | 64.8 | Low | 70.7 | Confident | 134 Ų | 134 | 137 Ų | 137 | 70% | 0.702 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -106.2 | 126.6 | -177.8 | -57.7 | -173.8 | 0 | 0 | 0 | 111.4 | D53 D54 A58 | D53-L56 PolarHBondContact O-N 3.18Å; D54-L56 VanDerWaalsContact C-N 3.27Å; D54-L56 PolarHBondContact O-N 2.98Å; L56-A58 PolarHBondContact O-N 3.15Å |
| 57 | P | 72.1 | Confident | 72.2 | Confident | 122 Ų | 122 | 132.7 Ų | 132.7 | 79% | 0.792 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 131.4 | 177.5 | 23.8 | -31.9 | 0 | 0 | 0 | 110.2 | A59 | P57-A59 PolarHBondContact O-N 3.4Š|
| 58 | A | 74.4 | Confident | 73.7 | Confident | 96 Ų | 96 | 136.5 Ų | 136.5 | 79% | 0.793 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 131.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | L56 | L56-A58 PolarHBondContact O-N 3.15Š|
| 59 | A | 78.4 | Confident | 75.3 | Confident | 89 Ų | 89 | 142.6 Ų | 142.6 | 74% | 0.736 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 138.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | P57 | P57-A59 PolarHBondContact O-N 3.4Š|
| 60 | P | 84.2 | Confident | 76.7 | Confident | 118 Ų | 118 | 140.4 Ų | 140.4 | 77% | 0.766 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 139.5 | 177.1 | -23.3 | 31.9 | 0 | 0 | 0 | 111 | ||
| 61 | P | 83.8 | Confident | 77.4 | Confident | 107 Ų | 107 | 141.1 Ų | 141.1 | 70% | 0.695 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 141.5 | 178.9 | 25.2 | -33.7 | 0 | 0 | 0 | 110.5 | Q63 | P61-Q63 PolarHBondContact O-N 2.95Š|
| 62 | P | 85.9 | Confident | 77.7 | Confident | 128 Ų | 128 | 139.6 Ų | 139.6 | 83% | 0.831 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 125.8 | -177.8 | 25.8 | -33.9 | 0 | 0 | 0 | 110.4 | ||
| 63 | Q | 87.3 | Confident | 78.1 | Confident | 179 Ų | 179 | 139.9 Ų | 139.9 | 84% | 0.836 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 120.5 | 177 | -69 | -177.4 | -4.4 | 0 | 0 | 110.3 | P61 | P61-Q63 PolarHBondContact O-N 2.95Š|
| 64 | I | 85.9 | Confident | 78.2 | Confident | 153 Ų | 153 | 137.9 Ų | 137.9 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 133.8 | 168.1 | 59.2 | 172.2 | 0 | 0 | 0 | 109.6 | ||
| 65 | R | 89.1 | Confident | 77.9 | Confident | 234 Ų | 234 | 136.4 Ų | 136.4 | 88% | 0.883 | 77% | 0.772 | S | S | * | * | trans | -118 | 112.3 | 173.9 | -65.5 | -179.2 | 67.4 | 172.3 | 1.2 | 108.6 | ||||
| 66 | I | 86.7 | Confident | 77.4 | Confident | 152 Ų | 152 | 135.4 Ų | 135.4 | 78% | 0.779 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 124.4 | 177.7 | -58 | 172.9 | 0 | 0 | 0 | 108.1 | ||
| 67 | L | 88.5 | Confident | 76.9 | Confident | 157 Ų | 157 | 132.6 Ų | 132.6 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 142.8 | 174.5 | -166.3 | 66.9 | 0 | 0 | 0 | 109.8 | R69 | L67-R69 PolarHBondContact O-N 3.01Š|
| 68 | K | 88.8 | Confident | 75.7 | Confident | 187 Ų | 187 | 133 Ų | 133 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 127.3 | 175.2 | -171 | 173.8 | 68.1 | 172.6 | 0 | 109.3 | ||
| 69 | R | 87.2 | Confident | 74.9 | Confident | 218 Ų | 218 | 134.5 Ų | 134.5 | 82% | 0.823 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 140.2 | 175.1 | -63.3 | -178.5 | 179.8 | -142.8 | 0.5 | 109.2 | L67 S71 | L67-R69 PolarHBondContact O-N 3.01Å; R69-S71 PolarHBondContact O-N 3.4Å |
| 70 | P | 83.5 | Confident | 73.7 | Confident | 108 Ų | 108 | 134.5 Ų | 134.5 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 132.4 | 170.2 | 24.2 | -30.8 | 0 | 0 | 0 | 109.1 | N72 | P70-N72 PolarHBondContact O-N 3.46Š|
| 71 | S | 76.3 | Confident | 72.1 | Confident | 131 Ų | 131 | 132.5 Ų | 132.5 | 92% | 0.916 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -73.6 | 1.5 | 178.4 | 41 | 0 | 0 | 0 | 0 | 113.5 | R69 | R69-S71 PolarHBondContact O-N 3.4Š|
| 72 | N | 67.3 | Low | 70.7 | Confident | 104 Ų | 104 | 133.2 Ų | 133.2 | 56% | 0.556 | 77% | 0.774 | S | S | * | * | trans | -94.7 | 95.6 | 170.9 | 158 | 0.6 | 0 | 0 | 0 | 107.7 | P70 G74 | P70-N72 PolarHBondContact O-N 3.46Å; N72-G74 PolarHBondContact OD1-N 3.19Å | ||
| 73 | N | 65.1 | Low | 69.3 | Low | 167 Ų | 167 | 132.2 Ų | 132.2 | 89% | 0.893 | 77% | 0.77 | S | S | * | * | trans | -104.8 | 96.2 | 159.1 | -173.2 | 74.9 | 0 | 0 | 0 | 106.9 | ||||
| 74 | G | 64.8 | Low | 67.9 | Low | 72 Ų | 72 | 133.6 Ų | 133.6 | 74% | 0.742 | 77% | 0.767 | S | S | * | * | S | Bend | trans | 106.6 | 27 | 154.3 | 0 | 0 | 0 | 0 | 0 | 119.5 | N72 | N72-G74 PolarHBondContact OD1-N 3.19Š|
| 75 | T | 57 | Low | 66.6 | Low | 131 Ų | 131 | 132 Ų | 132 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | trans | -145.3 | 89.4 | 158.9 | -168.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 76 | G | 55.3 | Low | 65 | Low | 57 Ų | 57 | 125.7 Ų | 125.7 | 59% | 0.588 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -170.2 | 81.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 105.8 | N78 | G76-N78 PolarHBondContact O-N 2.99Š|
| 77 | G | 53.2 | Low | 63.7 | Low | 74 Ų | 74 | 127.2 Ų | 127.2 | 76% | 0.763 | 76% | 0.762 | S | S | * | * | trans | -50.6 | 124.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111 | S79 | G77-S79 PolarHBondContact O-N 3.34Å; G77-S79 VanDerWaalsContact O-N 3.11Å | ||
| 78 | N | 47.3 | Very low | 62.8 | Low | 130 Ų | 130 | 127.5 Ų | 127.5 | 70% | 0.695 | 76% | 0.76 | S | S | * | * | trans | -61.9 | 112.5 | 162.6 | -79.9 | 11.7 | 0 | 0 | 0 | 107.5 | G76 A80 S81 | G76-N78 PolarHBondContact O-N 2.99Å; N78-A80 PolarHBondContact O-N 2.98Å; N78-S81 PolarHBondContact O-N 3.39Å; N78-S81 PolarHBondContact O-OG 3.3Å | ||
| 79 | S | 58.1 | Low | 62 | Low | 129 Ų | 129 | 127.8 Ų | 127.8 | 90% | 0.902 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | 9.4 | 169.6 | -57.2 | 0 | 0 | 0 | 0 | 114 | G77 | G77-S79 PolarHBondContact O-N 3.34Å; G77-S79 VanDerWaalsContact O-N 3.11Å |
| 80 | A | 52.4 | Low | 61.8 | Low | 88 Ų | 88 | 121.1 Ų | 121.1 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.4 | 0.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | N78 | N78-A80 PolarHBondContact O-N 2.98Š|
| 81 | S | 51.2 | Low | 61.9 | Low | 76 Ų | 76 | 119.7 Ų | 119.7 | 53% | 0.531 | 74% | 0.736 | S | S | . | * | trans | -87.8 | 1.5 | 175.6 | 60.7 | 0 | 0 | 0 | 0 | 114.1 | N78 S83 R84 | N78-S81 PolarHBondContact O-N 3.39Å; N78-S81 PolarHBondContact O-OG 3.3Å; S81-S83 PolarHBondContact O-N 2.94Å; S81-R84 PolarHBondContact O-N 3.34Å | ||
| 82 | S | 53.6 | Low | 62.2 | Low | 122 Ų | 122 | 118.5 Ų | 118.5 | 85% | 0.853 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | -6.7 | -175 | -158.7 | 0 | 0 | 0 | 0 | 114.9 | ||
| 83 | S | 57.9 | Low | 63.2 | Low | 107 Ų | 107 | 116.5 Ų | 116.5 | 75% | 0.748 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.2 | -6.8 | 174.6 | 77.8 | 0 | 0 | 0 | 0 | 114.5 | S81 | S81-S83 PolarHBondContact O-N 2.94Š|
| 84 | R | 56.5 | Low | 64.5 | Low | 208 Ų | 208 | 113.6 Ų | 113.6 | 79% | 0.785 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -102.1 | 115.6 | 174 | -71.1 | -173.1 | -180 | 176.6 | 0.8 | 107.7 | S81 S86 | S81-R84 PolarHBondContact O-N 3.34Å; R84-S86 PolarHBondContact O-N 2.9Å |
| 85 | P | 58.8 | Low | 65.8 | Low | 120 Ų | 120 | 117.2 Ų | 117.2 | 78% | 0.779 | 69% | 0.689 | S | S | * | * | trans | -55.8 | 119.4 | 175 | 22.4 | -30.3 | 0 | 0 | 0 | 107.7 | Q87 | P85-Q87 PolarHBondContact O-N 2.99Å; P85-Q87 VanDerWaalsContact O-N 3.14Å | ||
| 86 | S | 54.8 | Low | 67.3 | Low | 102 Ų | 102 | 116.7 Ų | 116.7 | 71% | 0.713 | 68% | 0.677 | S | S | * | * | trans | -45.9 | 121.5 | 167.8 | 170.6 | 0 | 0 | 0 | 0 | 107.1 | R84 Q88 | R84-S86 PolarHBondContact O-N 2.9Å; S86-Q88 PolarHBondContact O-N 3.11Å | ||
| 87 | Q | 61.1 | Low | 68.8 | Low | 183 Ų | 183 | 117 Ų | 117 | 86% | 0.855 | 67% | 0.674 | S | S | * | * | trans | -70.2 | 83.7 | 177 | -72.5 | -173.1 | -30.3 | 0 | 0 | 107.9 | P85 M89 | P85-Q87 PolarHBondContact O-N 2.99Å; P85-Q87 VanDerWaalsContact O-N 3.14Å; Q87-M89 PolarHBondContact O-N 3.28Å | ||
| 88 | Q | 68.2 | Low | 70.7 | Confident | 163 Ų | 163 | 117.9 Ų | 117.9 | 76% | 0.762 | 66% | 0.658 | S | S | * | * | trans | -55.3 | 136.5 | 165.6 | -64.3 | -174.6 | -47.6 | 0 | 0 | 107.5 | S86 K90 | S86-Q88 PolarHBondContact O-N 3.11Å; Q88-K90 PolarHBondContact O-N 3.21Å | ||
| 89 | M | 72.1 | Confident | 72.8 | Confident | 193 Ų | 193 | 119.8 Ų | 119.8 | 95% | 0.951 | 66% | 0.657 | S | S | * | * | trans | -62.9 | 96.5 | -177.2 | -63 | 175.6 | 72.3 | 0 | 0 | 109.1 | Q87 | Q87-M89 PolarHBondContact O-N 3.28Š| ||
| 90 | K | 83.2 | Confident | 74.4 | Confident | 79 Ų | 79 | 116.1 Ų | 116.1 | 34% | 0.343 | 64% | 0.635 | S | S | . | * | trans | -65.1 | 138.3 | 177.7 | -57.2 | -171.1 | -143.8 | -178.4 | 0 | 109.3 | Q88 Q94 R95 E98 | Q88-K90 PolarHBondContact O-N 3.21Å; K90-Q94 HydrophobicContact CB-CB 4.27Å; K90-Q94 HydrophobicContact CB-CG 4.2Å; K90-Q94 HydrophobicContact CD-CG 4.28Å; K90-R95 HydrophobicContact CB-CG 4.11Å; K90-E98 VanDerWaalsContact NZ-CD 3.34Å; K90-E98 IonicContact NZ-OE1 3.75Å; K90-E98 PolarHBondContact NZ-OE1 3.28Å; K90-E98 IonicContact NZ-OE2 3.67Å; K90-E98 PolarHBondContact NZ-OE2 2.99Å | ||
| 91 | S | 85.2 | Confident | 76.2 | Confident | 78 Ų | 78 | 118.2 Ų | 118.2 | 55% | 0.545 | 63% | 0.629 | S | S | . | * | trans | -56.8 | 154.4 | 171.8 | 178.7 | 0 | 0 | 0 | 0 | 110.7 | A93 Q94 R95 | S91-A93 VanDerWaalsContact C-N 3.31Å; S91-A93 PolarHBondContact O-N 3.02Å; S91-Q94 WeakPolarHBondContact O-CB 3.42Å; S91-Q94 PolarHBondContact O-N 3.23Å; S91-Q94 VanDerWaalsContact O-N 3.11Å; S91-R95 PolarHBondContact O-N 3.36Å; S91-R95 VanDerWaalsContact O-N 3.14Å | ||
| 92 | L | 83.8 | Confident | 78.2 | Confident | 106 Ų | 106 | 116.7 Ų | 116.7 | 56% | 0.555 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -56.9 | -46.1 | 177.3 | -176.8 | 143 | 0 | 0 | 0 | 111.2 | Q94 R95 E96 | L92-Q94 PolarHBondContact O-N 3.2Å; L92-R95 WeakPolarHBondContact O-CB 3.34Å; L92-R95 PolarHBondContact O-N 3.14Å; L92-E96 VanDerWaalsContact CD2-CD 3.5Å; L92-E96 HydrophobicContact CD2-CG 4.28Å; L92-E96 VanDerWaalsContact CD2-OE1 3.29Å; L92-E96 WeakPolarHBondContact CD2-OE1 3.34Å; L92-E96 PolarHBondContact O-N 2.89Å |
| 93 | A | 88.5 | Confident | 80.1 | Confident | 62 Ų | 62 | 117 Ų | 117 | 51% | 0.512 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -58.1 | -34.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | S91 A97 | S91-A93 VanDerWaalsContact C-N 3.31Å; S91-A93 PolarHBondContact O-N 3.02Å; A93-A97 PolarHBondContact O-N 2.95Å; A93-A97 VanDerWaalsContact O-N 3.12Å |
| 94 | Q | 92.1 | Very high | 81.5 | Confident | 105 Ų | 105 | 119 Ų | 119 | 49% | 0.491 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -69.8 | -37.4 | 177.7 | -174 | 179.8 | 4.6 | 0 | 0 | 111.6 | K90 S91 L92 E98 | K90-Q94 HydrophobicContact CB-CB 4.27Å; K90-Q94 HydrophobicContact CB-CG 4.2Å; K90-Q94 HydrophobicContact CD-CG 4.28Å; S91-Q94 WeakPolarHBondContact O-CB 3.42Å; S91-Q94 PolarHBondContact O-N 3.23Å; S91-Q94 VanDerWaalsContact O-N 3.11Å; L92-Q94 PolarHBondContact O-N 3.2Å; Q94-E98 PolarHBondContact O-N 2.85Å |
| 95 | R | 90.9 | Very high | 83.1 | Confident | 148 Ų | 148 | 119.4 Ų | 119.4 | 56% | 0.558 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -67.9 | -39.9 | 176.3 | -73.5 | -174.3 | -86.4 | 157.7 | -4.4 | 111.8 | K90 S91 L92 Y99 | K90-R95 HydrophobicContact CB-CG 4.11Å; S91-R95 PolarHBondContact O-N 3.36Å; S91-R95 VanDerWaalsContact O-N 3.14Å; L92-R95 WeakPolarHBondContact O-CB 3.34Å; L92-R95 PolarHBondContact O-N 3.14Å; R95-Y99 WeakPolarHBondContact O-CB 3.32Å; R95-Y99 PolarHBondContact O-N 3.33Å |
| 96 | E | 88.4 | Confident | 84.6 | Confident | 121 Ų | 121 | 120.8 Ų | 120.8 | 57% | 0.565 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -64.3 | -42.8 | 176.9 | -68.7 | 175.9 | 156.9 | 0 | 0 | 112 | L92 Y99 A100 | L92-E96 VanDerWaalsContact CD2-CD 3.5Å; L92-E96 HydrophobicContact CD2-CG 4.28Å; L92-E96 VanDerWaalsContact CD2-OE1 3.29Å; L92-E96 WeakPolarHBondContact CD2-OE1 3.34Å; L92-E96 PolarHBondContact O-N 2.89Å; E96-Y99 PolarHBondContact O-N 3.41Å; E96-A100 WeakPolarHBondContact O-CB 3.35Å; E96-A100 PolarHBondContact O-N 2.96Å |
| 97 | A | 88.6 | Confident | 86.1 | Confident | 62 Ų | 62 | 120.4 Ų | 120.4 | 51% | 0.512 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -62.1 | -44.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | A93 A100 E101 | A93-A97 PolarHBondContact O-N 2.95Å; A93-A97 VanDerWaalsContact O-N 3.12Å; A97-A100 PolarHBondContact O-N 3.39Å; A97-E101 PolarHBondContact O-N 3.17Å |
| 98 | E | 91.5 | Very high | 86.6 | Confident | 94 Ų | 94 | 114.9 Ų | 114.9 | 44% | 0.439 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -64.8 | -39.1 | 177.3 | -175.5 | 177 | 176.6 | 0 | 0 | 111.8 | K90 Q94 E101 A102 | K90-E98 VanDerWaalsContact NZ-CD 3.34Å; K90-E98 IonicContact NZ-OE1 3.75Å; K90-E98 PolarHBondContact NZ-OE1 3.28Å; K90-E98 IonicContact NZ-OE2 3.67Å; K90-E98 PolarHBondContact NZ-OE2 2.99Å; Q94-E98 PolarHBondContact O-N 2.85Å; E98-E101 PolarHBondContact O-N 3.07Å; E98-A102 WeakPolarHBondContact O-CB 3.43Å; E98-A102 PolarHBondContact O-N 3.03Å |
| 99 | Y | 91.4 | Very high | 85.7 | Confident | 169 Ų | 169 | 111.8 Ų | 111.8 | 66% | 0.663 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -63.5 | -43.2 | 174.7 | -177 | -95 | 0 | 0 | 0 | 111.7 | R95 E96 E101 A102 R103 | R95-Y99 WeakPolarHBondContact O-CB 3.32Å; R95-Y99 PolarHBondContact O-N 3.33Å; E96-Y99 PolarHBondContact O-N 3.41Å; Y99-E101 PolarHBondContact O-N 3.39Å; Y99-A102 PolarHBondContact O-N 3.5Å; Y99-R103 WeakPolarHBondContact O-CB 3.49Å; Y99-R103 PolarHBondContact O-N 3.36Å |
| 100 | A | 91.9 | Very high | 84.9 | Confident | 53 Ų | 53 | 103.9 Ų | 103.9 | 44% | 0.438 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60.1 | -46.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | E96 A97 R103 R104 | E96-A100 WeakPolarHBondContact O-CB 3.35Å; E96-A100 PolarHBondContact O-N 2.96Å; A97-A100 PolarHBondContact O-N 3.39Å; A100-R103 PolarHBondContact O-N 3.44Å; A100-R104 WeakPolarHBondContact O-CG 3.5Å; A100-R104 PolarHBondContact O-N 3.02Å |
| 101 | E | 91.6 | Very high | 83.2 | Confident | 132 Ų | 132 | 106 Ų | 106 | 62% | 0.617 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -60.8 | -49.2 | 176.1 | -172 | -166.2 | 167.4 | 0 | 0 | 112 | A97 E98 Y99 R103 R104 R105 | A97-E101 PolarHBondContact O-N 3.17Å; E98-E101 PolarHBondContact O-N 3.07Å; Y99-E101 PolarHBondContact O-N 3.39Å; E101-R103 VanDerWaalsContact C-N 3.28Å; E101-R103 PolarHBondContact O-N 3.48Å; E101-R104 WeakPolarHBondContact O-CB 3.39Å; E101-R104 PolarHBondContact O-N 3.19Å; E101-R104 VanDerWaalsContact O-N 3.07Å; E101-R105 PolarHBondContact O-N 2.72Å |
| 102 | A | 93 | Very high | 81.1 | Confident | 43 Ų | 43 | 107.3 Ų | 107.3 | 36% | 0.355 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -59.5 | -40.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | E98 Y99 R105 I106 | E98-A102 WeakPolarHBondContact O-CB 3.43Å; E98-A102 PolarHBondContact O-N 3.03Å; Y99-A102 PolarHBondContact O-N 3.5Å; A102-R105 PolarHBondContact O-N 2.76Å; A102-I106 WeakPolarHBondContact O-CG1 3.41Å; A102-I106 PolarHBondContact O-N 3.39Å |
| 103 | R | 92 | Very high | 79.5 | Confident | 130 Ų | 130 | 110.6 Ų | 110.6 | 49% | 0.491 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -64.3 | -41.4 | 174.9 | -170 | 176.7 | -180 | -76.9 | 0.2 | 111.6 | Y99 A100 E101 R105 L107 | Y99-R103 WeakPolarHBondContact O-CB 3.49Å; Y99-R103 PolarHBondContact O-N 3.36Å; A100-R103 PolarHBondContact O-N 3.44Å; E101-R103 VanDerWaalsContact C-N 3.28Å; E101-R103 PolarHBondContact O-N 3.48Å; R103-R105 VanDerWaalsContact C-N 3.31Å; R103-R105 PolarHBondContact O-N 3.03Å; R103-L107 VanDerWaalsContact O-CB 3.22Å; R103-L107 WeakPolarHBondContact O-CB 3.41Å; R103-L107 PolarHBondContact O-N 2.75Å |
| 104 | R | 87.3 | Confident | 77.3 | Confident | 149 Ų | 149 | 115 Ų | 115 | 56% | 0.562 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -60.6 | -41.1 | 173.1 | -69.9 | -172.8 | 74 | 77.9 | 7 | 111.5 | A100 E101 G108 A110 | A100-R104 WeakPolarHBondContact O-CG 3.5Å; A100-R104 PolarHBondContact O-N 3.02Å; E101-R104 WeakPolarHBondContact O-CB 3.39Å; E101-R104 PolarHBondContact O-N 3.19Å; E101-R104 VanDerWaalsContact O-N 3.07Å; R104-G108 VanDerWaalsContact O-CA 3.3Å; R104-G108 WeakPolarHBondContact O-CA 3.47Å; R104-G108 PolarHBondContact O-N 3.24Å; R104-A110 HydrophobicContact CG-CB 4.49Å; R104-A110 PolarHBondContact NH1-O 2.92Å; R104-A110 PolarHBondContact NH2-O 3.03Å; R104-A110 VanDerWaalsContact NH2-O 3.17Å |
| 105 | R | 90.8 | Very high | 74.6 | Confident | 215 Ų | 215 | 114.6 Ų | 114.6 | 81% | 0.811 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -67.2 | -42.5 | 179.9 | -176.5 | 177.8 | -179.8 | 135.4 | 1.2 | 113.2 | E101 A102 R103 | E101-R105 PolarHBondContact O-N 2.72Å; A102-R105 PolarHBondContact O-N 2.76Å; R103-R105 VanDerWaalsContact C-N 3.31Å; R103-R105 PolarHBondContact O-N 3.03Å |
| 106 | I | 89.4 | Confident | 72.5 | Confident | 149 Ų | 149 | 113.7 Ų | 113.7 | 76% | 0.764 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -79.9 | -45.1 | -177 | -65.6 | 169.7 | 0 | 0 | 0 | 111 | A102 | A102-I106 WeakPolarHBondContact O-CG1 3.41Å; A102-I106 PolarHBondContact O-N 3.39Å |
| 107 | L | 86.8 | Confident | 69.9 | Low | 95 Ų | 95 | 115.1 Ų | 115.1 | 50% | 0.497 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -92.5 | -15.1 | -171.4 | -165.5 | 56.7 | 0 | 0 | 0 | 113 | R103 S109 | R103-L107 VanDerWaalsContact O-CB 3.22Å; R103-L107 WeakPolarHBondContact O-CB 3.41Å; R103-L107 PolarHBondContact O-N 2.75Å; L107-S109 PolarHBondContact O-N 2.61Å; L107-S109 PolarHBondContact O-OG 3.24Å |
| 108 | G | 71.6 | Confident | 67.8 | Low | 67 Ų | 67 | 119.1 Ų | 119.1 | 69% | 0.691 | 64% | 0.637 | S | S | * | * | trans | 64.4 | -14.3 | 163.4 | 0 | 0 | 0 | 0 | 0 | 117.8 | R104 | R104-G108 VanDerWaalsContact O-CA 3.3Å; R104-G108 WeakPolarHBondContact O-CA 3.47Å; R104-G108 PolarHBondContact O-N 3.24Å | ||
| 109 | S | 50.4 | Low | 65 | Low | 97 Ų | 97 | 120.5 Ų | 120.5 | 68% | 0.678 | 65% | 0.647 | S | S | * | * | trans | -133.7 | 61 | -172.4 | 61.5 | 0 | 0 | 0 | 0 | 111.3 | L107 | L107-S109 PolarHBondContact O-N 2.61Å; L107-S109 PolarHBondContact O-OG 3.24Å | ||
| 110 | A | 54.4 | Low | 62.9 | Low | 27 Ų | 27 | 117.9 Ų | 117.9 | 22% | 0.223 | 65% | 0.651 | C | S | . | * | trans | -103.8 | 71 | 160.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | R104 | R104-A110 HydrophobicContact CG-CB 4.49Å; R104-A110 PolarHBondContact NH1-O 2.92Å; R104-A110 PolarHBondContact NH2-O 3.03Å; R104-A110 VanDerWaalsContact NH2-O 3.17Å | ||
| 111 | S | 46.7 | Very low | 60.2 | Low | 125 Ų | 125 | 120.4 Ų | 120.4 | 87% | 0.874 | 67% | 0.665 | S | S | * | * | trans | -90.7 | 105.8 | 142.5 | -160.7 | 0 | 0 | 0 | 0 | 102.9 | ||||
| 112 | S | 41.6 | Very low | 58 | Low | 104 Ų | 104 | 124.1 Ų | 124.1 | 73% | 0.727 | 68% | 0.682 | S | S | * | * | -132.5 | 137.2 | 54.3 | -153.8 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 113 | E | 49.7 | Very low | 55.7 | Low | 175 Ų | 175 | 128.5 Ų | 128.5 | 82% | 0.818 | 70% | 0.7 | S | S | * | * | trans | -52.7 | 124.8 | 143 | 171.4 | -160.4 | 106.5 | 0 | 0 | 108.2 | ||||
| 114 | E | 42.5 | Very low | 53.4 | Low | 156 Ų | 156 | 132.9 Ų | 132.9 | 73% | 0.729 | 72% | 0.716 | S | S | * | * | trans | -165.1 | 143.2 | 133.5 | -169.3 | 150.3 | 78.5 | 0 | 0 | 109.9 | ||||
| 115 | S | 35.9 | Very low | 51.5 | Low | 96 Ų | 96 | 130.4 Ų | 130.4 | 67% | 0.671 | 73% | 0.728 | S | S | * | * | trans | -62.1 | -174.8 | -179.4 | 67.8 | 0 | 0 | 0 | 0 | 114.5 | Q117 | S115-Q117 PolarHBondContact O-N 3.46Å; S115-Q117 VanDerWaalsContact O-N 3.16Å | ||
| 116 | P | 47.1 | Very low | 49.2 | Very low | 129 Ų | 129 | 124.8 Ų | 124.8 | 84% | 0.838 | 72% | 0.722 | S | S | * | * | trans | -70.5 | 113.8 | -160.5 | 32.7 | -32.6 | 0 | 0 | 0 | 111.2 | ||||
| 117 | Q | 34.3 | Very low | 46.9 | Very low | 150 Ų | 150 | 128.1 Ų | 128.1 | 70% | 0.701 | 73% | 0.725 | S | S | * | * | trans | -121.4 | 104.1 | 167.1 | -148.8 | -176.1 | -0.2 | 0 | 0 | 109.1 | S115 N119 | S115-Q117 PolarHBondContact O-N 3.46Å; S115-Q117 VanDerWaalsContact O-N 3.16Å; Q117-N119 PolarHBondContact O-N 2.99Å | ||
| 118 | D | 43.7 | Very low | 45 | Very low | 147 Ų | 147 | 132.2 Ų | 132.2 | 79% | 0.786 | 74% | 0.743 | S | S | * | * | trans | -29 | 114.3 | 149.6 | -160.5 | -11.1 | 0 | 0 | 0 | 110.8 | ||||
| 119 | N | 32.2 | Very low | 43.5 | Very low | 123 Ų | 123 | 135 Ų | 135 | 66% | 0.658 | 74% | 0.743 | S | S | * | * | trans | -167.4 | 110.3 | 160.3 | -96 | -46.8 | 0 | 0 | 0 | 111 | Q117 S121 | Q117-N119 PolarHBondContact O-N 2.99Å; N119-S121 PolarHBondContact O-N 3.3Å | ||
| 120 | P | 48.8 | Very low | 43.4 | Very low | 114 Ų | 114 | 137.1 Ų | 137.1 | 74% | 0.74 | 75% | 0.751 | S | S | * | * | trans | -85.3 | 91.9 | 176.5 | 33.2 | -30.4 | 0 | 0 | 0 | 109.6 | ||||
| 121 | S | 34.9 | Very low | 43.3 | Very low | 105 Ų | 105 | 142.9 Ų | 142.9 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | trans | -158.6 | 70.9 | 171.7 | -58.7 | 0 | 0 | 0 | 0 | 111.7 | N119 D123 | N119-S121 PolarHBondContact O-N 3.3Å; S121-D123 PolarHBondContact O-N 3.21Å; S121-D123 VanDerWaalsContact O-N 3.1Å | ||
| 122 | Q | 43.9 | Very low | 43.1 | Very low | 210 Ų | 210 | 145.3 Ų | 145.3 | 98% | 0.981 | 77% | 0.771 | S | S | * | * | trans | -76.9 | 76.9 | 155.4 | -87.4 | -172 | -31.7 | 0 | 0 | 108.6 | ||||
| 123 | D | 45.7 | Very low | 43.3 | Very low | 135 Ų | 135 | 148.4 Ų | 148.4 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | trans | -135 | 92.8 | 161.4 | -173.8 | 30.1 | 0 | 0 | 0 | 109.8 | S121 | S121-D123 PolarHBondContact O-N 3.21Å; S121-D123 VanDerWaalsContact O-N 3.1Å | ||
| 124 | R | 43 | Very low | 43.2 | Very low | 222 Ų | 222 | 145.7 Ų | 145.7 | 84% | 0.838 | 77% | 0.772 | S | S | * | * | trans | -178.1 | 99.6 | 135.1 | -102 | -177.3 | 179.1 | 112.6 | 1.6 | 109.7 | S126 | R124-S126 PolarHBondContact O-N 2.95Š| ||
| 125 | A | 48.8 | Very low | 43.5 | Very low | 98 Ų | 98 | 145.7 Ų | 145.7 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | trans | -60.1 | 119.9 | 151.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 126 | S | 41.5 | Very low | 44.2 | Very low | 97 Ų | 97 | 149 Ų | 149 | 68% | 0.678 | 78% | 0.781 | S | S | * | * | trans | 159.2 | 119.9 | 170.5 | -86.5 | 0 | 0 | 0 | 0 | 107.4 | R124 | R124-S126 PolarHBondContact O-N 2.95Š| ||
| 127 | R | 41.8 | Very low | 44.3 | Very low | 218 Ų | 218 | 149 Ų | 149 | 82% | 0.823 | 77% | 0.772 | S | S | * | * | cis | -163.2 | 135.7 | 32.2 | -59.5 | -170.3 | 175.5 | 170.7 | -2 | 108.6 | ||||
| 128 | M | 46.6 | Very low | 45.1 | Very low | 181 Ų | 181 | 148.2 Ų | 148.2 | 89% | 0.892 | 78% | 0.777 | S | S | * | * | trans | 0.1 | 119 | 138.1 | 49.4 | -170.6 | 68.6 | 0 | 0 | 116.3 | ||||
| 129 | N | 40.2 | Very low | 45.5 | Very low | 127 Ų | 127 | 150.5 Ų | 150.5 | 68% | 0.679 | 78% | 0.775 | S | S | * | * | trans | -145 | 83.7 | 149.5 | -170.5 | 18.7 | 0 | 0 | 0 | 110.2 | Q131 | N129-Q131 PolarHBondContact ND2-O 3.29Å; N129-Q131 PolarHBondContact O-N 3.34Å; N129-Q131 PolarHBondContact OD1-N 3.03Å; N129-Q131 PolarHBondContact OD1-O 3.18Å | ||
| 130 | V | 48.7 | Very low | 46.6 | Very low | 141 Ų | 141 | 150 Ų | 150 | 86% | 0.855 | 78% | 0.778 | S | S | * | * | trans | -79.2 | 78.2 | 156.3 | 176.4 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 131 | Q | 50.8 | Low | 46.9 | Very low | 147 Ų | 147 | 150.6 Ų | 150.6 | 69% | 0.687 | 78% | 0.776 | S | S | * | * | trans | -175.6 | 97.9 | 163.1 | -143.8 | 110.6 | 23.3 | 0 | 0 | 106.5 | N129 | N129-Q131 PolarHBondContact ND2-O 3.29Å; N129-Q131 PolarHBondContact O-N 3.34Å; N129-Q131 PolarHBondContact OD1-N 3.03Å; N129-Q131 PolarHBondContact OD1-O 3.18Å | ||
| 132 | Q | 43.5 | Very low | 48 | Very low | 176 Ų | 176 | 150.8 Ų | 150.8 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | -164.5 | 107.2 | 85.8 | -82.7 | 155.7 | 71.9 | 0 | 0 | 108.5 | |||||
| 133 | Q | 46.3 | Very low | 49 | Very low | 169 Ų | 169 | 148.4 Ų | 148.4 | 79% | 0.79 | 76% | 0.757 | S | S | * | * | trans | -80.1 | 130.4 | 158.4 | -69.6 | -75.3 | -16.2 | 0 | 0 | 107.1 | L135 | Q133-L135 PolarHBondContact O-N 3.19Š| ||
| 134 | P | 47.8 | Very low | 50.1 | Low | 119 Ų | 119 | 145.5 Ų | 145.5 | 77% | 0.773 | 74% | 0.744 | S | S | * | * | trans | -68.2 | 112.8 | 156.8 | -9.3 | 25.8 | 0 | 0 | 0 | 107 | E136 | P134-E136 PolarHBondContact O-N 3.1Š| ||
| 135 | L | 48.6 | Very low | 51.4 | Low | 155 Ų | 155 | 141.6 Ų | 141.6 | 81% | 0.812 | 74% | 0.738 | S | S | * | * | trans | -57 | 120.2 | 164.9 | -75.1 | 87.5 | 0 | 0 | 0 | 107.9 | Q133 | Q133-L135 PolarHBondContact O-N 3.19Š| ||
| 136 | E | 50.1 | Low | 52.5 | Low | 167 Ų | 167 | 147.3 Ų | 147.3 | 78% | 0.78 | 74% | 0.739 | S | S | * | * | trans | -150.8 | 117.5 | 144 | -84.8 | -48.2 | 136.5 | 0 | 0 | 110.1 | P134 | P134-E136 PolarHBondContact O-N 3.1Š| ||
| 137 | I | 49.1 | Very low | 54.3 | Low | 129 Ų | 129 | 148.6 Ų | 148.6 | 66% | 0.662 | 73% | 0.734 | S | S | * | * | trans | 75.5 | 93.6 | 154.6 | -53.2 | 155.7 | 0 | 0 | 0 | 117.3 | R139 | I137-R139 HydrophobicContact CG2-CG 4.41Å; I137-R139 PolarHBondContact O-N 3.13Å | ||
| 138 | V | 51.3 | Low | 55.9 | Low | 133 Ų | 133 | 143.2 Ų | 143.2 | 81% | 0.806 | 73% | 0.728 | S | S | * | * | trans | -39.5 | 115 | 148 | 175.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 139 | R | 52.5 | Low | 57.4 | Low | 194 Ų | 194 | 139.1 Ų | 139.1 | 73% | 0.732 | 72% | 0.717 | S | S | * | * | trans | -133.3 | 107.8 | 146.6 | -79.6 | -164.4 | 165.6 | 142.6 | -1 | 109.1 | I137 N141 | I137-R139 HydrophobicContact CG2-CG 4.41Å; I137-R139 PolarHBondContact O-N 3.13Å; R139-N141 PolarHBondContact O-N 3.21Å | ||
| 140 | P | 55.8 | Low | 59.2 | Low | 112 Ų | 112 | 134.1 Ų | 134.1 | 73% | 0.727 | 70% | 0.695 | S | S | * | * | trans | -73.4 | 128.5 | 173.1 | 31.9 | -29.2 | 0 | 0 | 0 | 107.4 | ||||
| 141 | N | 54.2 | Low | 60.9 | Low | 128 Ų | 128 | 134.5 Ų | 134.5 | 68% | 0.684 | 70% | 0.701 | S | S | * | * | trans | 68 | 73.3 | 160.5 | -132.7 | -74.2 | 0 | 0 | 0 | 116.5 | R139 H143 | R139-N141 PolarHBondContact O-N 3.21Å; N141-H143 PolarHBondContact OD1-CE1 3.27Å; N141-H143 PolarHBondContact OD1-ND1 3.31Å | ||
| 142 | N | 57.8 | Low | 62.2 | Low | 108 Ų | 108 | 132.6 Ų | 132.6 | 58% | 0.578 | 70% | 0.695 | S | S | * | * | trans | -103.2 | 74.8 | 163.8 | -98.4 | -44.5 | 0 | 0 | 0 | 110.4 | V144 | N142-V144 HydrophobicContact CB-CG2 3.9Å; N142-V144 PolarHBondContact O-N 3.27Å; N142-V144 WeakPolarHBondContact OD1-CG2 3.48Å | ||
| 143 | H | 65.9 | Low | 63.9 | Low | 160 Ų | 160 | 127 Ų | 127 | 74% | 0.741 | 69% | 0.685 | S | S | * | * | trans | -72.5 | 55.4 | 159.4 | -68.4 | 94.6 | 0 | 0 | 0 | 110.1 | N141 I145 | N141-H143 PolarHBondContact OD1-CE1 3.27Å; N141-H143 PolarHBondContact OD1-ND1 3.31Å; H143-I145 PolarHBondContact O-N 3.24Å; H143-I145 VanDerWaalsContact O-N 3.07Å | ||
| 144 | V | 67.5 | Low | 65.3 | Low | 75 Ų | 75 | 122.1 Ų | 122.1 | 46% | 0.455 | 67% | 0.667 | S | S | . | * | trans | -82.5 | 89.7 | 179.1 | -174.6 | 0 | 0 | 0 | 0 | 107.8 | N142 R146 | N142-V144 HydrophobicContact CB-CG2 3.9Å; N142-V144 PolarHBondContact O-N 3.27Å; N142-V144 WeakPolarHBondContact OD1-CG2 3.48Å; V144-R146 HydrophobicContact CG1-CG 3.75Å; V144-R146 PolarHBondContact O-N 3.08Å | ||
| 145 | I | 70.5 | Confident | 66.5 | Low | 140 Ų | 140 | 120.1 Ų | 120.1 | 72% | 0.718 | 66% | 0.655 | S | S | * | * | trans | -71.4 | 97.1 | 166.3 | -55.9 | 177.2 | 0 | 0 | 0 | 106.9 | H143 Q147 | H143-I145 PolarHBondContact O-N 3.24Å; H143-I145 VanDerWaalsContact O-N 3.07Å; I145-Q147 PolarHBondContact O-N 3.1Å | ||
| 146 | R | 72.6 | Confident | 67.8 | Low | 217 Ų | 217 | 114.5 Ų | 114.5 | 82% | 0.819 | 64% | 0.635 | S | S | * | * | trans | -75.8 | 108.6 | 174.1 | -65.4 | -175.2 | 178.4 | -89 | -0.2 | 108.6 | V144 | V144-R146 HydrophobicContact CG1-CG 3.75Å; V144-R146 PolarHBondContact O-N 3.08Å | ||
| 147 | Q | 78 | Confident | 68.7 | Low | 124 Ų | 124 | 117 Ų | 117 | 58% | 0.579 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 137.4 | 168.8 | -66.3 | -63.1 | -43.4 | 0 | 0 | 109 | I145 S149 | I145-Q147 PolarHBondContact O-N 3.1Å; Q147-S149 PolarHBondContact O-N 3.17Å |
| 148 | P | 77.1 | Confident | 69.8 | Low | 106 Ų | 106 | 120.8 Ų | 120.8 | 69% | 0.688 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 133.2 | 175.4 | 24.9 | -32.4 | 0 | 0 | 0 | 109.7 | ||
| 149 | S | 77.8 | Confident | 70.4 | Confident | 95 Ų | 95 | 122.1 Ų | 122.1 | 66% | 0.664 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 138.5 | 171.9 | -62.7 | 0 | 0 | 0 | 0 | 109.7 | Q147 | Q147-S149 PolarHBondContact O-N 3.17Š|
| 150 | G | 78.3 | Confident | 70.6 | Confident | 22 Ų | 22 | 118.7 Ų | 118.7 | 23% | 0.227 | 66% | 0.655 | C | S | . | * | P | Polyproline II helix | trans | -64.6 | 164.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | D152 G153 T154 | G150-D152 WeakPolarHBondContact CA-OD1 3.38Å; G150-D152 PolarHBondContact O-N 3.03Å; G150-D152 VanDerWaalsContact O-N 3.1Å; G150-G153 PolarHBondContact O-N 3.21Å; G150-T154 PolarHBondContact N-O 2.8Å |
| 151 | P | 83 | Confident | 70.4 | Confident | 149 Ų | 149 | 128 Ų | 128 | 97% | 0.968 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.5 | -16.1 | 175.6 | 27.4 | -35.3 | 0 | 0 | 0 | 113.3 | ||
| 152 | D | 78.7 | Confident | 71.2 | Confident | 107 Ų | 107 | 128 Ų | 128 | 57% | 0.572 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.7 | 2 | 174.4 | 62.1 | -18.5 | 0 | 0 | 0 | 113.4 | G150 T154 | G150-D152 WeakPolarHBondContact CA-OD1 3.38Å; G150-D152 PolarHBondContact O-N 3.03Å; G150-D152 VanDerWaalsContact O-N 3.1Å; D152-T154 VanDerWaalsContact C-N 3.26Å; D152-T154 HydrophobicContact CB-CG2 4.41Å; D152-T154 PolarHBondContact O-N 3.14Å; D152-T154 PolarHBondContact OD1-N 3.11Å; D152-T154 PolarHBondContact OD1-OG1 3.12Å; D152-T154 WeakPolarHBondContact OD2-CB 3.47Å; D152-T154 WeakPolarHBondContact OD2-CG2 3.29Å; D152-T154 PolarHBondContact OD2-OG1 3.42Å |
| 153 | G | 78.8 | Confident | 71.9 | Confident | 59 Ų | 59 | 129 Ų | 129 | 61% | 0.608 | 68% | 0.681 | S | S | * | * | S | Bend | trans | 77.3 | 6.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | G150 | G150-G153 PolarHBondContact O-N 3.21Š|
| 154 | T | 76.8 | Confident | 72.3 | Confident | 66 Ų | 66 | 127.3 Ų | 127.3 | 41% | 0.405 | 68% | 0.677 | S | S | . | * | trans | -84.3 | 152.4 | -178.7 | 68.9 | 0 | 0 | 0 | 0 | 111.8 | G150 D152 G156 | G150-T154 PolarHBondContact N-O 2.8Å; D152-T154 VanDerWaalsContact C-N 3.26Å; D152-T154 HydrophobicContact CB-CG2 4.41Å; D152-T154 PolarHBondContact O-N 3.14Å; D152-T154 PolarHBondContact OD1-N 3.11Å; D152-T154 PolarHBondContact OD1-OG1 3.12Å; D152-T154 WeakPolarHBondContact OD2-CB 3.47Å; D152-T154 WeakPolarHBondContact OD2-CG2 3.29Å; D152-T154 PolarHBondContact OD2-OG1 3.42Å; T154-G156 PolarHBondContact O-N 3.05Å | ||
| 155 | S | 72.1 | Confident | 72.5 | Confident | 76 Ų | 76 | 130.4 Ų | 130.4 | 53% | 0.531 | 69% | 0.69 | S | S | . | * | trans | -79.3 | 70 | 171.4 | -172.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 156 | G | 76.8 | Confident | 72.7 | Confident | 37 Ų | 37 | 129.8 Ų | 129.8 | 38% | 0.381 | 69% | 0.689 | S | S | . | * | trans | 34.7 | -143.6 | 167.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | T154 R158 | T154-G156 PolarHBondContact O-N 3.05Å; G156-R158 PolarHBondContact O-N 3.16Å | ||
| 157 | F | 67.6 | Low | 72.7 | Confident | 221 Ų | 221 | 123.9 Ų | 123.9 | 97% | 0.969 | 68% | 0.68 | S | S | * | * | trans | -75.6 | 112.1 | -173.8 | -62.9 | -82.8 | 0 | 0 | 0 | 111.6 | ||||
| 158 | R | 72.8 | Confident | 72.3 | Confident | 207 Ų | 207 | 123.9 Ų | 123.9 | 78% | 0.781 | 69% | 0.687 | S | S | * | * | trans | -83.4 | 120.5 | 166.1 | -59.9 | -177.4 | -169.3 | -100.3 | 1.6 | 108.2 | G156 C160 | G156-R158 PolarHBondContact O-N 3.16Å; R158-C160 PolarHBondContact O-N 3.27Å | ||
| 159 | L | 63.9 | Low | 71.9 | Confident | 162 Ų | 162 | 125.3 Ų | 125.3 | 85% | 0.848 | 69% | 0.687 | S | S | * | * | trans | -69.6 | 101.5 | 172.6 | -169.6 | 73.3 | 0 | 0 | 0 | 108.2 | R161 | L159-R161 PolarHBondContact O-N 3.25Š| ||
| 160 | C | 57.4 | Low | 71.4 | Confident | 121 Ų | 121 | 127.8 Ų | 127.8 | 82% | 0.818 | 69% | 0.689 | S | S | * | * | trans | -69.8 | 121.7 | 165.5 | -66.1 | 0 | 0 | 0 | 0 | 107.8 | R158 | R158-C160 PolarHBondContact O-N 3.27Š| ||
| 161 | R | 51.2 | Low | 70.8 | Confident | 307 Ų | 307 | 137.5 Ų | 137.5 | 100% | 1.158 | 73% | 0.731 | S | S | * | * | trans | -92 | 0 | 170.2 | -115.4 | -172.9 | -168.1 | -125.8 | 3.8 | 109.9 | L159 | L159-R161 PolarHBondContact O-N 3.25Š|
Retrieved 161 of 161 residues in 62.7 ms
(Link to these results)