| 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 | 37 | Very low | 39.4 | Very low | 253 Ų | 253 | 137.1 Ų | 137.1 | 100% | 1.246 | 86% | 0.858 | S | S | * | * | 0 | 141.5 | 0 | -84.8 | -171.6 | 166.3 | 0 | 0 | 108.6 | |||||
| 2 | A | 41.3 | Very low | 39.4 | Very low | 108 Ų | 108 | 145.3 Ų | 145.3 | 89% | 0.893 | 86% | 0.861 | S | S | * | * | trans | -74.7 | 152 | -156.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 3 | A | 35.2 | Very low | 39.2 | Very low | 102 Ų | 102 | 143.3 Ų | 143.3 | 84% | 0.843 | 86% | 0.855 | S | S | * | * | trans | -139.9 | 137.2 | 155.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 4 | S | 41.5 | Very low | 39.4 | Very low | 114 Ų | 114 | 145.1 Ų | 145.1 | 80% | 0.797 | 86% | 0.857 | S | S | * | * | P | Polyproline II helix | trans | -79 | 158.8 | -153.6 | -15.9 | 0 | 0 | 0 | 0 | 114.9 | ||
| 5 | P | 41.8 | Very low | 39.3 | Very low | 127 Ų | 127 | 140.9 Ų | 140.9 | 83% | 0.825 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 133.7 | 174.6 | 30.4 | -31.1 | 0 | 0 | 0 | 111.8 | G7 | P5-G7 PolarHBondContact O-N 3.36Š|
| 6 | Q | 42.1 | Very low | 39.1 | Very low | 200 Ų | 200 | 145.4 Ų | 145.4 | 94% | 0.935 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 122.1 | 168.7 | -82.8 | -176.4 | -11.7 | 0 | 0 | 110.3 | ||
| 7 | G | 40.8 | Very low | 39.1 | Very low | 58 Ų | 58 | 142.4 Ų | 142.4 | 60% | 0.598 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 165.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | P5 L9 | P5-G7 PolarHBondContact O-N 3.36Å; G7-L9 PolarHBondContact O-N 3.44Å |
| 8 | P | 37.9 | Very low | 39.2 | Very low | 126 Ų | 126 | 142 Ų | 142 | 82% | 0.818 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 126.5 | -176 | -4.3 | 20.8 | 0 | 0 | 0 | 110.7 | V10 | P8-V10 PolarHBondContact O-N 3.06Š|
| 9 | L | 39.4 | Very low | 39.2 | Very low | 168 Ų | 168 | 143 Ų | 143 | 88% | 0.88 | 84% | 0.835 | S | S | * | * | trans | -66.9 | 97.9 | 169.5 | -71.5 | 167.1 | 0 | 0 | 0 | 109.2 | G7 C11 | G7-L9 PolarHBondContact O-N 3.44Å; L9-C11 PolarHBondContact O-N 3.13Å | ||
| 10 | V | 39.4 | Very low | 39.6 | Very low | 135 Ų | 135 | 144.4 Ų | 144.4 | 82% | 0.818 | 83% | 0.833 | S | S | * | * | trans | -62.3 | 105.9 | 164.6 | 177.2 | 0 | 0 | 0 | 0 | 107.3 | P8 R12 | P8-V10 PolarHBondContact O-N 3.06Å; V10-R12 PolarHBondContact O-N 3.41Å; V10-R12 VanDerWaalsContact O-N 3.13Å | ||
| 11 | C | 36.7 | Very low | 39.8 | Very low | 117 Ų | 117 | 147.8 Ų | 147.8 | 79% | 0.791 | 83% | 0.832 | S | S | * | * | trans | -63.2 | 112.6 | 172.4 | -70 | 0 | 0 | 0 | 0 | 109 | L9 | L9-C11 PolarHBondContact O-N 3.13Š| ||
| 12 | R | 39.1 | Very low | 40.4 | Very low | 235 Ų | 235 | 147 Ų | 147 | 89% | 0.887 | 82% | 0.815 | S | S | * | * | trans | -59.8 | 136.7 | 163 | -104.3 | -176.7 | 175 | -176.3 | -1.1 | 108.4 | V10 L14 | V10-R12 PolarHBondContact O-N 3.41Å; V10-R12 VanDerWaalsContact O-N 3.13Å; R12-L14 PolarHBondContact O-N 3.37Å | ||
| 13 | P | 37.7 | Very low | 40.5 | Very low | 120 Ų | 120 | 145.3 Ų | 145.3 | 78% | 0.779 | 80% | 0.801 | S | S | * | * | trans | -58.5 | 132.3 | 169.6 | -17.9 | 29.8 | 0 | 0 | 0 | 109.2 | A15 | P13-A15 VanDerWaalsContact C-N 3.33Å; P13-A15 PolarHBondContact O-N 3.35Å | ||
| 14 | L | 42.2 | Very low | 41.2 | Very low | 169 Ų | 169 | 146.5 Ų | 146.5 | 89% | 0.885 | 80% | 0.797 | S | S | * | * | trans | -52.2 | 96.3 | 173.4 | -172.4 | 69.9 | 0 | 0 | 0 | 108.6 | R12 F16 | R12-L14 PolarHBondContact O-N 3.37Å; L14-F16 PolarHBondContact O-N 3.36Å | ||
| 15 | A | 37.2 | Very low | 41.5 | Very low | 82 Ų | 82 | 148.2 Ų | 148.2 | 68% | 0.678 | 79% | 0.792 | S | S | * | * | trans | -57.8 | 135 | 169.3 | 0 | 0 | 0 | 0 | 0 | 107 | P13 A17 | P13-A15 VanDerWaalsContact C-N 3.33Å; P13-A15 PolarHBondContact O-N 3.35Å; A15-A17 PolarHBondContact O-N 3.16Å | ||
| 16 | F | 36.2 | Very low | 42 | Very low | 213 Ų | 213 | 147.2 Ų | 147.2 | 93% | 0.934 | 79% | 0.788 | S | S | * | * | trans | -43.3 | 101.6 | 171.2 | -76.8 | -98.9 | 0 | 0 | 0 | 109.2 | L14 N18 | L14-F16 PolarHBondContact O-N 3.36Å; F16-N18 PolarHBondContact O-N 3.34Å | ||
| 17 | A | 39.3 | Very low | 42.1 | Very low | 94 Ų | 94 | 148.9 Ų | 148.9 | 78% | 0.777 | 79% | 0.786 | S | S | * | * | trans | -65.1 | 97.6 | 162.6 | 0 | 0 | 0 | 0 | 0 | 104.5 | A15 E19 | A15-A17 PolarHBondContact O-N 3.16Å; A17-E19 VanDerWaalsContact C-N 3.29Å; A17-E19 PolarHBondContact O-N 3.41Å | ||
| 18 | N | 40 | Very low | 42.7 | Very low | 135 Ų | 135 | 150.8 Ų | 150.8 | 72% | 0.722 | 79% | 0.791 | S | S | * | * | trans | -59.7 | 100.5 | 168.2 | -150.6 | -23.1 | 0 | 0 | 0 | 104.4 | F16 E20 | F16-N18 PolarHBondContact O-N 3.34Å; N18-E20 PolarHBondContact O-N 3.22Å | ||
| 19 | E | 39.9 | Very low | 43.6 | Very low | 161 Ų | 161 | 156.9 Ų | 156.9 | 75% | 0.752 | 80% | 0.797 | S | S | * | * | trans | -59.7 | 91.9 | 158.9 | -86.7 | -179.1 | 167.7 | 0 | 0 | 104.8 | A17 R21 | A17-E19 VanDerWaalsContact C-N 3.29Å; A17-E19 PolarHBondContact O-N 3.41Å; E19-R21 PolarHBondContact O-N 3.14Å | ||
| 20 | E | 47.6 | Very low | 44.4 | Very low | 170 Ų | 170 | 153.8 Ų | 153.8 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | trans | -60.2 | 81.2 | 167 | -70.5 | -179.1 | 173.6 | 0 | 0 | 106.6 | N18 R22 | N18-E20 PolarHBondContact O-N 3.22Å; E20-R22 VanDerWaalsContact C-N 3.27Å; E20-R22 PolarHBondContact O-N 3.32Å | ||
| 21 | R | 43 | Very low | 45.2 | Very low | 216 Ų | 216 | 152.3 Ų | 152.3 | 82% | 0.815 | 78% | 0.776 | S | S | * | * | trans | -56.2 | 103.4 | 161.7 | -72.5 | -173.2 | 176.2 | -146.1 | -1.4 | 104.1 | E19 A23 | E19-R21 PolarHBondContact O-N 3.14Å; R21-A23 VanDerWaalsContact C-N 3.32Å; R21-A23 PolarHBondContact O-N 2.67Å | ||
| 22 | R | 50.8 | Low | 45.9 | Very low | 238 Ų | 238 | 152.7 Ų | 152.7 | 90% | 0.898 | 78% | 0.78 | S | S | * | * | trans | -48.7 | 101.7 | 173.4 | -97.2 | 179.9 | 169.8 | -166.2 | -2.8 | 107.3 | E20 V24 | E20-R22 VanDerWaalsContact C-N 3.27Å; E20-R22 PolarHBondContact O-N 3.32Å; R22-V24 PolarHBondContact O-N 2.77Å | ||
| 23 | A | 43.6 | Very low | 46.8 | Very low | 71 Ų | 71 | 145.1 Ų | 145.1 | 59% | 0.587 | 77% | 0.768 | S | S | * | * | trans | -65.2 | 106.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 105.7 | R21 H25 | R21-A23 VanDerWaalsContact C-N 3.32Å; R21-A23 PolarHBondContact O-N 2.67Å; A23-H25 VanDerWaalsContact C-N 3.33Å; A23-H25 PolarHBondContact O-N 3.46Å; A23-H25 PolarHBondContact O-ND1 3.3Å | ||
| 24 | V | 49.3 | Very low | 48.1 | Very low | 128 Ų | 128 | 141.1 Ų | 141.1 | 78% | 0.776 | 75% | 0.748 | S | S | * | * | trans | -66.5 | 100 | 173.7 | 179 | 0 | 0 | 0 | 0 | 106 | R22 S26 | R22-V24 PolarHBondContact O-N 2.77Å; V24-S26 VanDerWaalsContact C-N 3.29Å; V24-S26 PolarHBondContact O-N 3.37Å | ||
| 25 | H | 47.8 | Very low | 49.4 | Very low | 149 Ų | 149 | 139 Ų | 139 | 69% | 0.69 | 73% | 0.734 | S | S | * | * | trans | -74.3 | 90 | 172.4 | -70.2 | 75.1 | 0 | 0 | 0 | 107.1 | A23 | A23-H25 VanDerWaalsContact C-N 3.33Å; A23-H25 PolarHBondContact O-N 3.46Å; A23-H25 PolarHBondContact O-ND1 3.3Å | ||
| 26 | S | 52.6 | Low | 51.2 | Low | 106 Ų | 106 | 140.5 Ų | 140.5 | 74% | 0.741 | 73% | 0.73 | S | S | * | * | trans | -83.4 | 117.7 | 174.5 | 59 | 0 | 0 | 0 | 0 | 109.4 | V24 | V24-S26 VanDerWaalsContact C-N 3.29Å; V24-S26 PolarHBondContact O-N 3.37Å | ||
| 27 | W | 44.2 | Very low | 53.1 | Low | 236 Ų | 236 | 132 Ų | 132 | 89% | 0.894 | 70% | 0.696 | S | S | * | * | trans | -100.3 | 121.3 | 171.1 | -62.8 | 87.3 | 0 | 0 | 0 | 108.8 | ||||
| 28 | S | 52.1 | Low | 54.7 | Low | 98 Ų | 98 | 129.9 Ų | 129.9 | 69% | 0.685 | 67% | 0.671 | S | S | * | * | trans | -109.2 | 125.7 | 172.2 | 56.1 | 0 | 0 | 0 | 0 | 109.9 | I30 | S28-I30 PolarHBondContact O-N 3.3Š| ||
| 29 | R | 57.5 | Low | 56.4 | Low | 254 Ų | 254 | 127.2 Ų | 127.2 | 96% | 0.958 | 66% | 0.657 | S | S | * | * | trans | -82.3 | 112.1 | 169.3 | -65.1 | 177.4 | 87.6 | 133.2 | 0.6 | 107.9 | ||||
| 30 | I | 56.8 | Low | 58 | Low | 103 Ų | 103 | 122.8 Ų | 122.8 | 53% | 0.528 | 64% | 0.638 | S | S | . | * | trans | -90.3 | 116.2 | 176.4 | -52.1 | 167.2 | 0 | 0 | 0 | 106.1 | S28 L38 | S28-I30 PolarHBondContact O-N 3.3Å; I30-L38 HydrophobicContact CD1-CD1 3.81Å; I30-L38 HydrophobicContact CD1-CD2 3.78Å; I30-L38 HydrophobicContact CD1-CG 4.39Å | ||
| 31 | S | 55.2 | Low | 59.3 | Low | 104 Ų | 104 | 114.9 Ų | 114.9 | 73% | 0.727 | 60% | 0.602 | S | S | * | * | trans | -62 | 137.2 | 166.8 | -62.2 | 0 | 0 | 0 | 0 | 107.7 | A33 | S31-A33 PolarHBondContact O-N 3.21Š| ||
| 32 | S | 52.4 | Low | 60.6 | Low | 125 Ų | 125 | 108.5 Ų | 108.5 | 87% | 0.874 | 58% | 0.584 | S | S | * | * | trans | -63.9 | 64.8 | 179.7 | 173.9 | 0 | 0 | 0 | 0 | 112.2 | G34 | S32-G34 PolarHBondContact O-N 2.92Å; S32-G34 VanDerWaalsContact O-N 3.15Å | ||
| 33 | A | 57.7 | Low | 61.7 | Low | 76 Ų | 76 | 103.1 Ų | 103.1 | 63% | 0.628 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -78.2 | 21.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | S31 V37 | S31-A33 PolarHBondContact O-N 3.21Å; A33-V37 WeakPolarHBondContact O-CG2 3.41Å |
| 34 | G | 65.4 | Low | 63 | Low | 36 Ų | 36 | 103.3 Ų | 103.3 | 37% | 0.371 | 56% | 0.557 | S | S | . | * | trans | 92.1 | 128.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | S32 N36 V37 | S32-G34 PolarHBondContact O-N 2.92Å; S32-G34 VanDerWaalsContact O-N 3.15Å; G34-N36 PolarHBondContact O-N 2.92Å; G34-V37 PolarHBondContact O-N 2.82Å; G34-V37 VanDerWaalsContact O-N 3.09Å | ||
| 35 | Q | 68.1 | Low | 63.7 | Low | 124 Ų | 124 | 102.5 Ų | 102.5 | 58% | 0.579 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -50.1 | -30.8 | 175 | 179.9 | 63.5 | 16.8 | 0 | 0 | 112.6 | V37 L38 L39 | Q35-V37 PolarHBondContact O-N 3.05Å; Q35-L38 PolarHBondContact O-N 2.77Å; Q35-L39 HydrophobicContact CG-CD1 4.2Å; Q35-L39 HydrophobicContact CG-CG 4.49Å; Q35-L39 WeakPolarHBondContact O-CG 3.3Å; Q35-L39 PolarHBondContact O-N 3.28Å |
| 36 | N | 76.3 | Confident | 64.2 | Low | 113 Ų | 113 | 99.2 Ų | 99.2 | 60% | 0.604 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -65.4 | -37.8 | -178.4 | -57.6 | -20.4 | 0 | 0 | 0 | 112.6 | G34 L38 L39 D40 | G34-N36 PolarHBondContact O-N 2.92Å; N36-L38 VanDerWaalsContact C-N 3.3Å; N36-L38 PolarHBondContact O-N 2.8Å; N36-L39 PolarHBondContact O-N 2.92Å; N36-D40 WeakPolarHBondContact O-CB 3.05Å; N36-D40 VanDerWaalsContact O-CG 3.32Å; N36-D40 PolarHBondContact O-N 2.91Å |
| 37 | V | 74.7 | Confident | 64.5 | Low | 35 Ų | 35 | 99.3 Ų | 99.3 | 21% | 0.212 | 54% | 0.54 | C | S | . | . | H | α-helix | trans | -66.9 | -35.8 | 179.6 | -178.4 | 0 | 0 | 0 | 0 | 110.9 | A33 G34 Q35 A41 I189 | A33-V37 WeakPolarHBondContact O-CG2 3.41Å; G34-V37 PolarHBondContact O-N 2.82Å; G34-V37 VanDerWaalsContact O-N 3.09Å; Q35-V37 PolarHBondContact O-N 3.05Å; V37-A41 WeakPolarHBondContact O-CB 3.37Å; V37-A41 PolarHBondContact O-N 3.13Å; V37-I189 HydrophobicContact CG1-CB 4.08Å; V37-I189 HydrophobicContact CG1-CD1 3.89Å; V37-I189 HydrophobicContact CG1-CG2 3.75Å |
| 38 | L | 73.8 | Confident | 65.1 | Low | 49 Ų | 49 | 96.4 Ų | 96.4 | 26% | 0.257 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -68 | -44.7 | 172.9 | 177.4 | 60.4 | 0 | 0 | 0 | 111.4 | I30 Q35 N36 D40 A41 L42 | I30-L38 HydrophobicContact CD1-CD1 3.81Å; I30-L38 HydrophobicContact CD1-CD2 3.78Å; I30-L38 HydrophobicContact CD1-CG 4.39Å; Q35-L38 PolarHBondContact O-N 2.77Å; N36-L38 VanDerWaalsContact C-N 3.3Å; N36-L38 PolarHBondContact O-N 2.8Å; L38-D40 VanDerWaalsContact C-N 3.3Å; L38-D40 PolarHBondContact O-N 2.8Å; L38-A41 PolarHBondContact O-N 2.94Å; L38-L42 HydrophobicContact CD1-CD1 4.42Å; L38-L42 HydrophobicContact CD1-CG 4.31Å; L38-L42 HydrophobicContact CG-CD1 4.21Å; L38-L42 VanDerWaalsContact O-CG 3.29Å; L38-L42 WeakPolarHBondContact O-CG 3.32Å; L38-L42 PolarHBondContact O-N 2.89Å |
| 39 | L | 75.2 | Confident | 65.3 | Low | 80 Ų | 80 | 96.7 Ų | 96.7 | 42% | 0.419 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.9 | -39.6 | 177.1 | -69.7 | 174.2 | 0 | 0 | 0 | 111.6 | Q35 N36 L42 K43 | Q35-L39 HydrophobicContact CG-CD1 4.2Å; Q35-L39 HydrophobicContact CG-CG 4.49Å; Q35-L39 WeakPolarHBondContact O-CG 3.3Å; Q35-L39 PolarHBondContact O-N 3.28Å; N36-L39 PolarHBondContact O-N 2.92Å; L39-L42 PolarHBondContact O-N 3.16Å; L39-K43 WeakPolarHBondContact O-CG 3.47Å; L39-K43 PolarHBondContact O-N 3.2Å |
| 40 | D | 74.7 | Confident | 65.6 | Low | 67 Ų | 67 | 92.6 Ų | 92.6 | 36% | 0.358 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.8 | -40.7 | 175.5 | -71.7 | -20.6 | 0 | 0 | 0 | 111.8 | N36 L38 L42 K43 I44 | N36-D40 WeakPolarHBondContact O-CB 3.05Å; N36-D40 VanDerWaalsContact O-CG 3.32Å; N36-D40 PolarHBondContact O-N 2.91Å; L38-D40 VanDerWaalsContact C-N 3.3Å; L38-D40 PolarHBondContact O-N 2.8Å; D40-L42 VanDerWaalsContact C-N 3.31Å; D40-L42 PolarHBondContact O-N 3.03Å; D40-K43 WeakPolarHBondContact O-CB 3.36Å; D40-K43 PolarHBondContact O-N 3.05Å; D40-K43 IonicContact OD1-NZ 3.73Å; D40-K43 PolarHBondContact OD1-NZ 3.36Å; D40-I44 PolarHBondContact O-N 3.44Å |
| 41 | A | 73.4 | Confident | 66 | Low | 5 Ų | 5 | 94.9 Ų | 94.9 | 4% | 0.041 | 54% | 0.538 | C | S | . | . | H | α-helix | trans | -62.5 | -37.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | V37 L38 K43 I44 L45 L171 I189 | V37-A41 WeakPolarHBondContact O-CB 3.37Å; V37-A41 PolarHBondContact O-N 3.13Å; L38-A41 PolarHBondContact O-N 2.94Å; A41-K43 VanDerWaalsContact C-N 3.33Å; A41-I44 WeakPolarHBondContact O-CB 3.3Å; A41-I44 PolarHBondContact O-N 3.05Å; A41-L45 PolarHBondContact O-N 2.77Å; A41-L171 HydrophobicContact CB-CD2 3.74Å; A41-I189 HydrophobicContact CB-CD1 3.62Å; A41-I189 HydrophobicContact CB-CG1 4.03Å; A41-I189 HydrophobicContact CB-CG2 4.41Å |
| 42 | L | 70.9 | Confident | 66.7 | Low | 82 Ų | 82 | 92.9 Ų | 92.9 | 43% | 0.429 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68.6 | -31.2 | 175.9 | -71.1 | 173.4 | 0 | 0 | 0 | 112.2 | L38 L39 D40 I44 L45 S46 | L38-L42 HydrophobicContact CD1-CD1 4.42Å; L38-L42 HydrophobicContact CD1-CG 4.31Å; L38-L42 HydrophobicContact CG-CD1 4.21Å; L38-L42 VanDerWaalsContact O-CG 3.29Å; L38-L42 WeakPolarHBondContact O-CG 3.32Å; L38-L42 PolarHBondContact O-N 2.89Å; L39-L42 PolarHBondContact O-N 3.16Å; D40-L42 VanDerWaalsContact C-N 3.31Å; D40-L42 PolarHBondContact O-N 3.03Å; L42-I44 VanDerWaalsContact C-N 3.25Å; L42-I44 PolarHBondContact O-N 3.25Å; L42-L45 HydrophobicContact CD2-CD1 4.45Å; L42-L45 PolarHBondContact O-N 2.85Å; L42-S46 PolarHBondContact O-N 3.14Å |
| 43 | K | 73.6 | Confident | 67.3 | Low | 124 Ų | 124 | 91.9 Ų | 91.9 | 54% | 0.539 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.4 | -34.6 | 171.6 | -69.6 | 171.1 | -170.3 | 160.5 | 0 | 112 | L39 D40 A41 S46 P47 | L39-K43 WeakPolarHBondContact O-CG 3.47Å; L39-K43 PolarHBondContact O-N 3.2Å; D40-K43 WeakPolarHBondContact O-CB 3.36Å; D40-K43 PolarHBondContact O-N 3.05Å; D40-K43 IonicContact OD1-NZ 3.73Å; D40-K43 PolarHBondContact OD1-NZ 3.36Å; A41-K43 VanDerWaalsContact C-N 3.33Å; K43-S46 CarbonylContact O-C 3.23Å; K43-S46 VanDerWaalsContact O-C 3.23Å; K43-P47 WeakPolarHBondContact O-CA 3.38Å |
| 44 | I | 71.1 | Confident | 68 | Low | 75 Ų | 75 | 90.8 Ų | 90.8 | 39% | 0.385 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.7 | -39.6 | 175.4 | -58 | 167.8 | 0 | 0 | 0 | 110.6 | D40 A41 L42 P169 L171 | D40-I44 PolarHBondContact O-N 3.44Å; A41-I44 WeakPolarHBondContact O-CB 3.3Å; A41-I44 PolarHBondContact O-N 3.05Å; L42-I44 VanDerWaalsContact C-N 3.25Å; L42-I44 PolarHBondContact O-N 3.25Å; I44-P169 HydrophobicContact CD1-CB 4.4Å; I44-P169 HydrophobicContact CD1-CG 4.43Å; I44-P169 VanDerWaalsContact CD1-O 3.29Å; I44-P169 WeakPolarHBondContact CD1-O 3.22Å; I44-L171 HydrophobicContact CB-CD1 4.28Å; I44-L171 HydrophobicContact CD1-CD2 4.26Å; I44-L171 HydrophobicContact CD1-CG 4.01Å; I44-L171 HydrophobicContact CG2-CD1 4.18Å; I44-L171 HydrophobicContact CG2-CG 4.42Å |
| 45 | L | 64.6 | Low | 68.7 | Low | 112 Ų | 112 | 94.4 Ų | 94.4 | 59% | 0.586 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -80.7 | -20.7 | -179 | -63.6 | 177.5 | 0 | 0 | 0 | 113.6 | A41 L42 L171 | A41-L45 PolarHBondContact O-N 2.77Å; L42-L45 HydrophobicContact CD2-CD1 4.45Å; L42-L45 PolarHBondContact O-N 2.85Å; L45-L171 HydrophobicContact CD1-CD1 4.34Å; L45-L171 HydrophobicContact CD2-CD1 3.85Å; L45-L171 HydrophobicContact CG-CD1 3.9Å |
| 46 | S | 57.5 | Low | 69.5 | Low | 80 Ų | 80 | 96 Ų | 96 | 56% | 0.559 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -140.1 | 75 | -179.5 | -66.3 | 0 | 0 | 0 | 0 | 108.3 | L42 K43 M48 | L42-S46 PolarHBondContact O-N 3.14Å; K43-S46 CarbonylContact O-C 3.23Å; K43-S46 VanDerWaalsContact O-C 3.23Å; S46-M48 PolarHBondContact O-N 2.83Å |
| 47 | P | 59.9 | Low | 69.8 | Low | 107 Ų | 107 | 94.6 Ų | 94.6 | 70% | 0.695 | 51% | 0.512 | S | S | * | . | trans | -57 | 113.4 | 175.1 | 23 | -31.7 | 0 | 0 | 0 | 107.5 | K43 S49 | K43-P47 WeakPolarHBondContact O-CA 3.38Å; P47-S49 PolarHBondContact O-N 3Å | ||
| 48 | M | 55.4 | Low | 70.2 | Confident | 175 Ų | 175 | 94.1 Ų | 94.1 | 86% | 0.862 | 51% | 0.508 | S | S | * | . | P | Polyproline II helix | trans | -59.4 | 128.1 | -179.7 | -83.2 | -176.2 | 161 | 0 | 0 | 108.7 | S46 R50 | S46-M48 PolarHBondContact O-N 2.83Å; M48-R50 PolarHBondContact O-N 3.36Å |
| 49 | S | 56.7 | Low | 70.8 | Confident | 104 Ų | 104 | 96.1 Ų | 96.1 | 73% | 0.727 | 52% | 0.522 | S | S | * | . | P | Polyproline II helix | trans | -61 | 120 | 169.7 | 51.7 | 0 | 0 | 0 | 0 | 108.5 | P47 D51 | P47-S49 PolarHBondContact O-N 3Å; S49-D51 PolarHBondContact O-N 3.39Å |
| 50 | R | 63.5 | Low | 71.4 | Confident | 168 Ų | 168 | 96 Ų | 96 | 63% | 0.634 | 52% | 0.524 | S | S | * | . | P | Polyproline II helix | trans | -67.1 | 123.6 | 169.3 | -75.4 | -176.8 | 179.8 | 171.1 | 2.9 | 108.3 | M48 L52 E64 | M48-R50 PolarHBondContact O-N 3.36Å; R50-L52 HydrophobicContact CB-CD2 4.44Å; R50-L52 PolarHBondContact O-N 2.85Å; R50-E64 IonicContact NH1-OE2 3.28Å; R50-E64 PolarHBondContact NH1-OE2 3.43Å |
| 51 | D | 65.8 | Low | 71.9 | Confident | 151 Ų | 151 | 94.8 Ų | 94.8 | 81% | 0.807 | 52% | 0.516 | S | S | * | . | trans | -76.4 | 102.3 | 171.4 | -72.6 | -30.1 | 0 | 0 | 0 | 108.6 | S49 S53 | S49-D51 PolarHBondContact O-N 3.39Å; D51-S53 PolarHBondContact O-N 2.95Å | ||
| 52 | L | 70.3 | Confident | 72.6 | Confident | 62 Ų | 62 | 96.1 Ų | 96.1 | 33% | 0.325 | 52% | 0.522 | S | S | . | . | trans | -82.9 | 110.9 | 179 | -58 | 168.3 | 0 | 0 | 0 | 108.6 | R50 E57 L58 F61 I338 | R50-L52 HydrophobicContact CB-CD2 4.44Å; R50-L52 PolarHBondContact O-N 2.85Å; L52-E57 HydrophobicContact CD2-CB 4.21Å; L52-L58 HydrophobicContact CD1-CB 4.45Å; L52-L58 HydrophobicContact CD1-CD1 3.69Å; L52-F61 HydrophobicContact CD1-CB 4.05Å; L52-F61 HydrophobicContact CD1-CD1 3.57Å; L52-F61 HydrophobicContact CD1-CE1 4.21Å; L52-F61 HydrophobicContact CD1-CG 3.9Å; L52-F61 HydrophobicContact CD2-CB 3.93Å; L52-F61 HydrophobicContact CD2-CG 4.21Å; L52-I338 HydrophobicContact CD1-CD1 4.49Å | ||
| 53 | S | 65.3 | Low | 73.4 | Confident | 104 Ų | 104 | 97 Ų | 97 | 73% | 0.727 | 52% | 0.524 | S | S | * | . | trans | -94 | -24.6 | -169.8 | 73.2 | 0 | 0 | 0 | 0 | 112.9 | D51 E57 | D51-S53 PolarHBondContact O-N 2.95Å; S53-E57 PolarHBondContact N-OE2 2.99Å; S53-E57 PolarHBondContact OG-OE1 3.38Å; S53-E57 PolarHBondContact OG-OE2 2.82Å | ||
| 54 | C | 71.9 | Confident | 74.1 | Confident | 54 Ų | 54 | 94.2 Ų | 94.2 | 37% | 0.365 | 51% | 0.513 | S | S | . | . | S | Bend | trans | -129.2 | 162.6 | 179.3 | 77.2 | 0 | 0 | 0 | 0 | 113.6 | E56 E57 L58 | C54-E56 VanDerWaalsContact C-N 3.3Å; C54-E56 PolarHBondContact O-N 3.1Å; C54-E57 PolarHBondContact N-OE2 3.11Å; C54-E57 WeakPolarHBondContact SG-CG 3.24Å; C54-E57 PolarHBondContact SG-N 3.25Å; C54-E57 VanDerWaalsContact SG-N 3.36Å; C54-E57 PolarHBondContact SG-OE1 2.66Å; C54-L58 PolarHBondContact O-N 3.22Å |
| 55 | T | 80 | Confident | 74.7 | Confident | 112 Ų | 112 | 91.2 Ų | 91.2 | 69% | 0.687 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -67.4 | -31.3 | -178.9 | -51.4 | 0 | 0 | 0 | 0 | 112.3 | L58 V59 | T55-L58 PolarHBondContact O-N 2.98Å; T55-V59 WeakPolarHBondContact O-CG2 3.35Å; T55-V59 PolarHBondContact O-N 3.34Å; T55-V59 VanDerWaalsContact O-N 3.12Å |
| 56 | E | 84.8 | Confident | 75.6 | Confident | 158 Ų | 158 | 88.3 Ų | 88.3 | 74% | 0.738 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -67.8 | -47.7 | 177.8 | -63.6 | 178.7 | -174 | 0 | 0 | 111 | C54 L58 V59 T60 | C54-E56 VanDerWaalsContact C-N 3.3Å; C54-E56 PolarHBondContact O-N 3.1Å; E56-L58 PolarHBondContact O-N 3.49Å; E56-V59 PolarHBondContact O-N 3.17Å; E56-V59 VanDerWaalsContact O-N 3.08Å; E56-T60 PolarHBondContact O-N 2.8Å; E56-T60 PolarHBondContact O-OG1 3.07Å |
| 57 | E | 82.5 | Confident | 76.9 | Confident | 83 Ų | 83 | 91.1 Ų | 91.1 | 39% | 0.388 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -55.3 | -39.9 | 172.7 | -78.4 | 161.8 | -156.4 | 0 | 0 | 112.2 | L52 S53 C54 F61 | L52-E57 HydrophobicContact CD2-CB 4.21Å; S53-E57 PolarHBondContact N-OE2 2.99Å; S53-E57 PolarHBondContact OG-OE1 3.38Å; S53-E57 PolarHBondContact OG-OE2 2.82Å; C54-E57 PolarHBondContact N-OE2 3.11Å; C54-E57 WeakPolarHBondContact SG-CG 3.24Å; C54-E57 PolarHBondContact SG-N 3.25Å; C54-E57 VanDerWaalsContact SG-N 3.36Å; C54-E57 PolarHBondContact SG-OE1 2.66Å; E57-F61 VanDerWaalsContact O-CB 3.27Å; E57-F61 WeakPolarHBondContact O-CB 3.12Å; E57-F61 PolarHBondContact O-N 3.22Å |
| 58 | L | 84.3 | Confident | 78.1 | Confident | 25 Ų | 25 | 91.6 Ų | 91.6 | 13% | 0.131 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -64.2 | -42 | 176.8 | 174.8 | 63.6 | 0 | 0 | 0 | 112.2 | L52 C54 T55 E56 F61 L62 P336 I338 | L52-L58 HydrophobicContact CD1-CB 4.45Å; L52-L58 HydrophobicContact CD1-CD1 3.69Å; C54-L58 PolarHBondContact O-N 3.22Å; T55-L58 PolarHBondContact O-N 2.98Å; E56-L58 PolarHBondContact O-N 3.49Å; L58-F61 PolarHBondContact O-N 3.06Å; L58-L62 HydrophobicContact CD1-CD1 4.08Å; L58-L62 HydrophobicContact CD1-CG 4.16Å; L58-L62 HydrophobicContact CG-CD1 4.07Å; L58-L62 WeakPolarHBondContact O-CB 3.29Å; L58-L62 WeakPolarHBondContact O-CG 3.5Å; L58-L62 PolarHBondContact O-N 3.46Å; L58-P336 HydrophobicContact CD2-CG 4.27Å; L58-I338 HydrophobicContact CD1-CD1 3.53Å; L58-I338 HydrophobicContact CD1-CG1 4.46Å |
| 59 | V | 85.7 | Confident | 79.2 | Confident | 91 Ų | 91 | 84.8 Ų | 84.8 | 55% | 0.552 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -66.5 | -45.4 | 178.9 | 173 | 0 | 0 | 0 | 0 | 110.3 | T55 E56 F61 L62 Q63 | T55-V59 WeakPolarHBondContact O-CG2 3.35Å; T55-V59 PolarHBondContact O-N 3.34Å; T55-V59 VanDerWaalsContact O-N 3.12Å; E56-V59 PolarHBondContact O-N 3.17Å; E56-V59 VanDerWaalsContact O-N 3.08Å; V59-F61 VanDerWaalsContact C-N 3.33Å; V59-F61 PolarHBondContact O-N 3.32Å; V59-L62 PolarHBondContact O-N 2.99Å; V59-Q63 WeakPolarHBondContact O-CB 3.37Å; V59-Q63 PolarHBondContact O-N 2.67Å |
| 60 | T | 87.6 | Confident | 80.4 | Confident | 77 Ų | 77 | 82.2 Ų | 82.2 | 47% | 0.472 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -60.1 | -44 | 175.9 | -51.7 | 0 | 0 | 0 | 0 | 111.3 | E56 L62 Q63 E64 | E56-T60 PolarHBondContact O-N 2.8Å; E56-T60 PolarHBondContact O-OG1 3.07Å; T60-L62 PolarHBondContact O-N 2.98Å; T60-Q63 WeakPolarHBondContact O-CB 3.44Å; T60-Q63 PolarHBondContact O-N 2.93Å; T60-Q63 VanDerWaalsContact O-N 3.17Å; T60-E64 WeakPolarHBondContact O-CG 3.27Å; T60-E64 PolarHBondContact O-N 2.92Å |
| 61 | F | 85.9 | Confident | 81.3 | Confident | 42 Ų | 42 | 82.8 Ų | 82.8 | 18% | 0.184 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -62.8 | -41.4 | 177.1 | 175.1 | -106.8 | 0 | 0 | 0 | 113.2 | L52 E57 L58 V59 Q63 E64 L65 I338 | L52-F61 HydrophobicContact CD1-CB 4.05Å; L52-F61 HydrophobicContact CD1-CD1 3.57Å; L52-F61 HydrophobicContact CD1-CE1 4.21Å; L52-F61 HydrophobicContact CD1-CG 3.9Å; L52-F61 HydrophobicContact CD2-CB 3.93Å; L52-F61 HydrophobicContact CD2-CG 4.21Å; E57-F61 VanDerWaalsContact O-CB 3.27Å; E57-F61 WeakPolarHBondContact O-CB 3.12Å; E57-F61 PolarHBondContact O-N 3.22Å; L58-F61 PolarHBondContact O-N 3.06Å; V59-F61 VanDerWaalsContact C-N 3.33Å; V59-F61 PolarHBondContact O-N 3.32Å; F61-Q63 VanDerWaalsContact C-N 3.26Å; F61-Q63 PolarHBondContact O-N 2.77Å; F61-E64 PolarHBondContact O-N 2.8Å; F61-L65 HydrophobicContact CD1-CD1 4.02Å; F61-L65 HydrophobicContact CE1-CD1 3.39Å; F61-L65 HydrophobicContact CE1-CG 4.12Å; F61-L65 HydrophobicContact CE2-CD1 4.24Å; F61-L65 HydrophobicContact CE2-CD2 4.33Å; F61-L65 HydrophobicContact CE2-CG 4.11Å; F61-L65 HydrophobicContact CZ-CD1 3.53Å; F61-L65 HydrophobicContact CZ-CD2 4.17Å; F61-L65 HydrophobicContact CZ-CG 3.9Å; F61-L65 WeakPolarHBondContact O-CG 3.41Å; F61-L65 PolarHBondContact O-N 2.88Å; F61-I338 HydrophobicContact CD1-CD1 4.12Å; F61-I338 HydrophobicContact CE1-CD1 3.98Å |
| 62 | L | 88.2 | Confident | 82.3 | Confident | 32 Ų | 32 | 77.2 Ų | 77.2 | 17% | 0.168 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -65.5 | -34.2 | 175.9 | -69.7 | 169.4 | 0 | 0 | 0 | 111.7 | L58 V59 T60 S66 P72 I74 I338 | L58-L62 HydrophobicContact CD1-CD1 4.08Å; L58-L62 HydrophobicContact CD1-CG 4.16Å; L58-L62 HydrophobicContact CG-CD1 4.07Å; L58-L62 WeakPolarHBondContact O-CB 3.29Å; L58-L62 WeakPolarHBondContact O-CG 3.5Å; L58-L62 PolarHBondContact O-N 3.46Å; V59-L62 PolarHBondContact O-N 2.99Å; T60-L62 PolarHBondContact O-N 2.98Å; L62-S66 WeakPolarHBondContact O-CB 3.46Å; L62-S66 PolarHBondContact O-N 3.34Å; L62-S66 VanDerWaalsContact O-N 3.1Å; L62-P72 HydrophobicContact CD2-CB 3.57Å; L62-P72 HydrophobicContact CD2-CG 3.88Å; L62-I74 HydrophobicContact CD1-CD1 3.81Å; L62-I74 HydrophobicContact CD1-CG1 4.15Å; L62-I338 HydrophobicContact CD2-CD1 4.05Å; L62-I338 HydrophobicContact CD2-CG1 4.42Å; L62-I338 HydrophobicContact CD2-CG2 3.92Å |
| 63 | Q | 87.3 | Confident | 82.9 | Confident | 101 Ų | 101 | 77.2 Ų | 77.2 | 47% | 0.472 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -67.4 | -49.2 | 174.6 | -178.2 | 61.1 | 37.7 | 0 | 0 | 110.9 | V59 T60 F61 L65 S66 E67 | V59-Q63 WeakPolarHBondContact O-CB 3.37Å; V59-Q63 PolarHBondContact O-N 2.67Å; T60-Q63 WeakPolarHBondContact O-CB 3.44Å; T60-Q63 PolarHBondContact O-N 2.93Å; T60-Q63 VanDerWaalsContact O-N 3.17Å; F61-Q63 VanDerWaalsContact C-N 3.26Å; F61-Q63 PolarHBondContact O-N 2.77Å; Q63-L65 VanDerWaalsContact C-N 3.34Å; Q63-L65 PolarHBondContact O-N 2.79Å; Q63-S66 WeakPolarHBondContact O-CA 3.5Å; Q63-S66 WeakPolarHBondContact O-CB 3.49Å; Q63-S66 PolarHBondContact O-N 2.82Å; Q63-S66 PolarHBondContact O-OG 3.13Å; Q63-E67 WeakPolarHBondContact CG-OE1 3.46Å; Q63-E67 PolarHBondContact NE2-OE1 2.88Å; Q63-E67 WeakPolarHBondContact O-CG 3.43Å; Q63-E67 PolarHBondContact O-N 2.98Å |
| 64 | E | 87.1 | Confident | 83.9 | Confident | 65 Ų | 65 | 76.6 Ų | 76.6 | 30% | 0.304 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -52.9 | -50 | 173.8 | -73.9 | 172.6 | -162.4 | 0 | 0 | 111 | R50 T60 F61 S66 E67 E68 | R50-E64 IonicContact NH1-OE2 3.28Å; R50-E64 PolarHBondContact NH1-OE2 3.43Å; T60-E64 WeakPolarHBondContact O-CG 3.27Å; T60-E64 PolarHBondContact O-N 2.92Å; F61-E64 PolarHBondContact O-N 2.8Å; E64-S66 PolarHBondContact O-N 3.05Å; E64-E67 WeakPolarHBondContact O-CB 3.42Å; E64-E67 PolarHBondContact O-N 3.44Å; E64-E67 VanDerWaalsContact O-N 3.11Å; E64-E68 WeakPolarHBondContact O-CG 3.45Å; E64-E68 PolarHBondContact O-N 3.43Å |
| 65 | L | 85.4 | Confident | 84.4 | Confident | 12 Ų | 12 | 76 Ų | 76 | 6% | 0.063 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -59.5 | -35.4 | 176.7 | -74.4 | -179.5 | 0 | 0 | 0 | 112.9 | F61 Q63 G69 H70 P72 I340 | F61-L65 HydrophobicContact CD1-CD1 4.02Å; F61-L65 HydrophobicContact CE1-CD1 3.39Å; F61-L65 HydrophobicContact CE1-CG 4.12Å; F61-L65 HydrophobicContact CE2-CD1 4.24Å; F61-L65 HydrophobicContact CE2-CD2 4.33Å; F61-L65 HydrophobicContact CE2-CG 4.11Å; F61-L65 HydrophobicContact CZ-CD1 3.53Å; F61-L65 HydrophobicContact CZ-CD2 4.17Å; F61-L65 HydrophobicContact CZ-CG 3.9Å; F61-L65 WeakPolarHBondContact O-CG 3.41Å; F61-L65 PolarHBondContact O-N 2.88Å; Q63-L65 VanDerWaalsContact C-N 3.34Å; Q63-L65 PolarHBondContact O-N 2.79Å; L65-G69 PolarHBondContact O-N 2.84Å; L65-H70 HydrophobicContact CB-CB 4.46Å; L65-H70 WeakPolarHBondContact O-CA 3.4Å; L65-H70 VanDerWaalsContact O-CB 3.27Å; L65-H70 WeakPolarHBondContact O-CB 3.37Å; L65-H70 PolarHBondContact O-N 2.97Å; L65-P72 HydrophobicContact CB-CB 4.49Å; L65-P72 HydrophobicContact CB-CG 4.1Å; L65-P72 HydrophobicContact CD1-CB 3.98Å; L65-P72 HydrophobicContact CD1-CG 4.43Å; L65-I340 HydrophobicContact CD1-CD1 3.64Å; L65-I340 HydrophobicContact CD1-CG1 3.96Å; L65-I340 HydrophobicContact CD2-CD1 4.15Å |
| 66 | S | 81.8 | Confident | 84.4 | Confident | 52 Ų | 52 | 78 Ų | 78 | 36% | 0.364 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -72.2 | -33.8 | 178.1 | 77.5 | 0 | 0 | 0 | 0 | 112.6 | L62 Q63 E64 G69 | L62-S66 WeakPolarHBondContact O-CB 3.46Å; L62-S66 PolarHBondContact O-N 3.34Å; L62-S66 VanDerWaalsContact O-N 3.1Å; Q63-S66 WeakPolarHBondContact O-CA 3.5Å; Q63-S66 WeakPolarHBondContact O-CB 3.49Å; Q63-S66 PolarHBondContact O-N 2.82Å; Q63-S66 PolarHBondContact O-OG 3.13Å; E64-S66 PolarHBondContact O-N 3.05Å; S66-G69 WeakPolarHBondContact O-CA 3.4Å; S66-G69 PolarHBondContact O-N 3.45Å |
| 67 | E | 85.9 | Confident | 84 | Confident | 139 Ų | 139 | 72.5 Ų | 72.5 | 65% | 0.65 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -70.6 | -37.5 | 175.5 | -71.4 | 169 | -170.2 | 0 | 0 | 111.4 | Q63 E64 G69 | Q63-E67 WeakPolarHBondContact CG-OE1 3.46Å; Q63-E67 PolarHBondContact NE2-OE1 2.88Å; Q63-E67 WeakPolarHBondContact O-CG 3.43Å; Q63-E67 PolarHBondContact O-N 2.98Å; E64-E67 WeakPolarHBondContact O-CB 3.42Å; E64-E67 PolarHBondContact O-N 3.44Å; E64-E67 VanDerWaalsContact O-N 3.11Å; E67-G69 PolarHBondContact O-N 3.17Å; E67-G69 VanDerWaalsContact O-N 3.13Å |
| 68 | E | 83.9 | Confident | 83.8 | Confident | 116 Ų | 116 | 73 Ų | 73 | 54% | 0.542 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -11.1 | 168.4 | -68.6 | 173.8 | -167.7 | 0 | 0 | 112.4 | E64 H70 L343 | E64-E68 WeakPolarHBondContact O-CG 3.45Å; E64-E68 PolarHBondContact O-N 3.43Å; E68-H70 IonicContact OE2-CD2 3.73Å; E68-L343 VanDerWaalsContact O-CD1 3.24Å; E68-L343 WeakPolarHBondContact O-CD1 3.44Å |
| 69 | G | 79.8 | Confident | 83.7 | Confident | 32 Ų | 32 | 75.4 Ų | 75.4 | 33% | 0.33 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.8 | 5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | L65 S66 E67 L343 | L65-G69 PolarHBondContact O-N 2.84Å; S66-G69 WeakPolarHBondContact O-CA 3.4Å; S66-G69 PolarHBondContact O-N 3.45Å; E67-G69 PolarHBondContact O-N 3.17Å; E67-G69 VanDerWaalsContact O-N 3.13Å; G69-L343 WeakPolarHBondContact O-CD2 3.39Å; G69-L343 WeakPolarHBondContact O-CG 3.37Å |
| 70 | H | 81.3 | Confident | 83.5 | Confident | 51 Ų | 51 | 73.4 Ų | 73.4 | 24% | 0.236 | 37% | 0.368 | C | S | . | . | trans | -73.3 | 154.1 | 172.1 | -64.7 | -71.1 | 0 | 0 | 0 | 111.5 | L65 E68 P72 I340 Q341 | L65-H70 HydrophobicContact CB-CB 4.46Å; L65-H70 WeakPolarHBondContact O-CA 3.4Å; L65-H70 VanDerWaalsContact O-CB 3.27Å; L65-H70 WeakPolarHBondContact O-CB 3.37Å; L65-H70 PolarHBondContact O-N 2.97Å; E68-H70 IonicContact OE2-CD2 3.73Å; H70-P72 WeakPolarHBondContact O-CD 3.43Å; H70-I340 HydrophobicContact CB-CG2 3.77Å; H70-Q341 PolarHBondContact ND1-O 3.23Å | ||
| 71 | R | 83.2 | Confident | 83 | Confident | 180 Ų | 180 | 74.3 Ų | 74.3 | 68% | 0.679 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 87.2 | 174 | -64.4 | -179.6 | 70.3 | 178.9 | 3 | 109.7 | Q341 | R71-Q341 HydrophobicContact CB-CB 4.24Å; R71-Q341 PolarHBondContact O-N 3.45Å |
| 72 | P | 85.5 | Confident | 82.6 | Confident | 33 Ų | 33 | 77.4 Ų | 77.4 | 21% | 0.214 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 134.6 | 177.4 | 31.6 | -35 | 0 | 0 | 0 | 110.6 | L62 L65 H70 I338 Q339 | L62-P72 HydrophobicContact CD2-CB 3.57Å; L62-P72 HydrophobicContact CD2-CG 3.88Å; L65-P72 HydrophobicContact CB-CB 4.49Å; L65-P72 HydrophobicContact CB-CG 4.1Å; L65-P72 HydrophobicContact CD1-CB 3.98Å; L65-P72 HydrophobicContact CD1-CG 4.43Å; H70-P72 WeakPolarHBondContact O-CD 3.43Å; P72-I338 HydrophobicContact CB-CG2 3.82Å; P72-Q339 CarbonylContact C-O 3.57Å; P72-Q339 WeakPolarHBondContact CA-O 3.2Å |
| 73 | T | 84.4 | Confident | 81.9 | Confident | 63 Ų | 63 | 80.8 Ų | 80.8 | 39% | 0.387 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 121.7 | 175.3 | -53.9 | 0 | 0 | 0 | 0 | 109.4 | L75 Q339 | T73-L75 PolarHBondContact O-N 3.45Å; T73-Q339 PolarHBondContact N-O 3.28Å; T73-Q339 PolarHBondContact O-N 2.98Å |
| 74 | I | 85.6 | Confident | 80.4 | Confident | 90 Ų | 90 | 87.8 Ų | 87.8 | 46% | 0.462 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 113.2 | 172.6 | -54.7 | 175.8 | 0 | 0 | 0 | 108 | L62 P336 | L62-I74 HydrophobicContact CD1-CD1 3.81Å; L62-I74 HydrophobicContact CD1-CG1 4.15Å; I74-P336 HydrophobicContact CG2-CB 4.44Å |
| 75 | L | 82.2 | Confident | 79 | Confident | 43 Ų | 43 | 86.7 Ų | 86.7 | 23% | 0.225 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 137 | 177.1 | -62.7 | -176.8 | 0 | 0 | 0 | 110.4 | T73 D79 V80 V337 Q339 | T73-L75 PolarHBondContact O-N 3.45Å; L75-D79 HydrophobicContact CD2-CB 4.48Å; L75-V80 HydrophobicContact CB-CG2 3.61Å; L75-V80 HydrophobicContact CD1-CG2 4.1Å; L75-V337 HydrophobicContact CB-CB 4.36Å; L75-V337 HydrophobicContact CD1-CG1 4.02Å; L75-V337 PolarHBondContact N-O 2.89Å; L75-Q339 HydrophobicContact CD1-CB 4.18Å; L75-Q339 HydrophobicContact CD2-CB 4.1Å; L75-Q339 HydrophobicContact CG-CB 4.05Å |
| 76 | R | 80.6 | Confident | 77.4 | Confident | 153 Ų | 153 | 90.3 Ų | 90.3 | 58% | 0.577 | 45% | 0.448 | S | S | * | . | trans | -77.3 | 157.4 | 172.3 | -52.6 | 175.2 | -59.1 | 178.8 | 1.2 | 109.1 | K78 D79 V80 | R76-K78 PolarHBondContact O-N 2.94Å; R76-D79 VanDerWaalsContact CB-OD2 3.29Å; R76-D79 WeakPolarHBondContact CB-OD2 3.5Å; R76-D79 IonicContact CZ-OD1 3.7Å; R76-D79 IonicContact CZ-OD2 2.89Å; R76-D79 PolarHBondContact N-OD2 3.16Å; R76-D79 IonicContact NE-OD1 2.94Å; R76-D79 IonicContact NE-OD2 3.16Å; R76-D79 PolarHBondContact NE-OD2 3.25Å; R76-D79 IonicContact NH2-OD1 3.54Å; R76-D79 PolarHBondContact NH2-OD1 2.81Å; R76-D79 VanDerWaalsContact NH2-OD1 3.16Å; R76-D79 IonicContact NH2-OD2 3.99Å; R76-D79 WeakPolarHBondContact O-CA 3.29Å; R76-D79 PolarHBondContact O-N 2.85Å; R76-V80 PolarHBondContact O-N 3.31Å; R76-V80 VanDerWaalsContact O-N 3.08Å | ||
| 77 | S | 75.7 | Confident | 76 | Confident | 43 Ų | 43 | 93.6 Ų | 93.6 | 30% | 0.301 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -51.6 | -34.1 | 174.8 | 54.4 | 0 | 0 | 0 | 0 | 113.3 | Y81 Y83 | S77-Y81 WeakPolarHBondContact O-CB 3.38Å; S77-Y81 WeakPolarHBondContact O-CD2 3.41Å; S77-Y81 PolarHBondContact O-N 2.85Å; S77-Y83 VanDerWaalsContact C-CE1 3.47Å; S77-Y83 WeakPolarHBondContact O-CE1 3.4Å; S77-Y83 PolarHBondContact OG-OH 2.87Å |
| 78 | K | 78.3 | Confident | 74.2 | Confident | 94 Ų | 94 | 91 Ų | 91 | 41% | 0.409 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -64.3 | -41.3 | 175 | -176.7 | -175.5 | 176.4 | -170.9 | 0 | 112.2 | R76 V80 C82 Y83 | R76-K78 PolarHBondContact O-N 2.94Å; K78-V80 VanDerWaalsContact C-N 3.33Å; K78-C82 WeakPolarHBondContact O-CA 3.21Å; K78-C82 PolarHBondContact O-N 3.08Å; K78-Y83 HydrophobicContact CB-CE1 4.43Å |
| 79 | D | 82.3 | Confident | 72.7 | Confident | 75 Ų | 75 | 92.4 Ų | 92.4 | 40% | 0.401 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -75.6 | -29.3 | -175.3 | -48.5 | -41.8 | 0 | 0 | 0 | 110.1 | L75 R76 | L75-D79 HydrophobicContact CD2-CB 4.48Å; R76-D79 VanDerWaalsContact CB-OD2 3.29Å; R76-D79 WeakPolarHBondContact CB-OD2 3.5Å; R76-D79 IonicContact CZ-OD1 3.7Å; R76-D79 IonicContact CZ-OD2 2.89Å; R76-D79 PolarHBondContact N-OD2 3.16Å; R76-D79 IonicContact NE-OD1 2.94Å; R76-D79 IonicContact NE-OD2 3.16Å; R76-D79 PolarHBondContact NE-OD2 3.25Å; R76-D79 IonicContact NH2-OD1 3.54Å; R76-D79 PolarHBondContact NH2-OD1 2.81Å; R76-D79 VanDerWaalsContact NH2-OD1 3.16Å; R76-D79 IonicContact NH2-OD2 3.99Å; R76-D79 WeakPolarHBondContact O-CA 3.29Å; R76-D79 PolarHBondContact O-N 2.85Å |
| 80 | V | 81.6 | Confident | 71 | Confident | 49 Ų | 49 | 96.1 Ų | 96.1 | 30% | 0.297 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -80.4 | -45.5 | 175.5 | -178.6 | 0 | 0 | 0 | 0 | 112.9 | L75 R76 K78 V337 | L75-V80 HydrophobicContact CB-CG2 3.61Å; L75-V80 HydrophobicContact CD1-CG2 4.1Å; R76-V80 PolarHBondContact O-N 3.31Å; R76-V80 VanDerWaalsContact O-N 3.08Å; K78-V80 VanDerWaalsContact C-N 3.33Å; V80-V337 HydrophobicContact CG1-CG2 4.16Å; V80-V337 HydrophobicContact CG2-CB 3.84Å; V80-V337 HydrophobicContact CG2-CG1 4.29Å; V80-V337 HydrophobicContact CG2-CG2 3.89Å |
| 81 | Y | 77.7 | Confident | 69.3 | Low | 96 Ų | 96 | 99.6 Ų | 99.6 | 38% | 0.376 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -107.5 | 1.7 | -170.5 | -65.1 | -69.5 | 0 | 0 | 0 | 114.3 | S77 Y83 V332 N333 | S77-Y81 WeakPolarHBondContact O-CB 3.38Å; S77-Y81 WeakPolarHBondContact O-CD2 3.41Å; S77-Y81 PolarHBondContact O-N 2.85Å; Y81-Y83 PolarHBondContact O-N 3.05Å; Y81-V332 HydrophobicContact CD1-CG1 4.34Å; Y81-V332 HydrophobicContact CE1-CB 4.23Å; Y81-V332 HydrophobicContact CE1-CG1 4.39Å; Y81-V332 HydrophobicContact CE2-CB 4.32Å; Y81-N333 WeakPolarHBondContact CE2-O 3.5Å; Y81-N333 VanDerWaalsContact CZ-O 3.24Å; Y81-N333 PolarHBondContact OH-O 3.24Å |
| 82 | C | 76.6 | Confident | 67.9 | Low | 107 Ų | 107 | 95.5 Ų | 95.5 | 72% | 0.723 | 50% | 0.504 | S | S | * | . | trans | 51.8 | 28.3 | 173 | -63.2 | 0 | 0 | 0 | 0 | 115.5 | K78 | K78-C82 WeakPolarHBondContact O-CA 3.21Å; K78-C82 PolarHBondContact O-N 3.08Å | ||
| 83 | Y | 72.8 | Confident | 66.5 | Low | 103 Ų | 103 | 100 Ų | 100 | 40% | 0.404 | 52% | 0.523 | S | S | . | . | trans | -79.7 | 145.6 | 178.9 | 65.5 | -91.4 | 0 | 0 | 0 | 111.9 | S77 K78 Y81 S85 | S77-Y83 VanDerWaalsContact C-CE1 3.47Å; S77-Y83 WeakPolarHBondContact O-CE1 3.4Å; S77-Y83 PolarHBondContact OG-OH 2.87Å; K78-Y83 HydrophobicContact CB-CE1 4.43Å; Y81-Y83 PolarHBondContact O-N 3.05Å; Y83-S85 WeakPolarHBondContact CE2-OG 3.4Å | ||
| 84 | R | 57.4 | Low | 64.8 | Low | 247 Ų | 247 | 104.7 Ų | 104.7 | 93% | 0.932 | 54% | 0.54 | S | S | * | . | trans | -92.9 | 103.9 | 172.6 | -64.2 | -176.3 | 81.1 | 170.7 | 5 | 109.4 | ||||
| 85 | S | 56.2 | Low | 63 | Low | 43 Ų | 43 | 105.5 Ų | 105.5 | 30% | 0.301 | 54% | 0.543 | S | S | . | . | trans | -66.8 | 129.1 | 171.3 | -52.9 | 0 | 0 | 0 | 0 | 110.4 | Y83 T87 | Y83-S85 WeakPolarHBondContact CE2-OG 3.4Å; S85-T87 PolarHBondContact O-N 2.94Å | ||
| 86 | C | 52.5 | Low | 61.7 | Low | 88 Ų | 88 | 108.7 Ų | 108.7 | 60% | 0.595 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | -1.4 | 169.5 | 53 | 0 | 0 | 0 | 0 | 113.3 | ||
| 87 | T | 53.3 | Low | 60.1 | Low | 120 Ų | 120 | 106.9 Ų | 106.9 | 74% | 0.736 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.9 | 8.1 | -176.4 | 37.6 | 0 | 0 | 0 | 0 | 113.9 | S85 L89 | S85-T87 PolarHBondContact O-N 2.94Å; T87-L89 PolarHBondContact O-N 3.27Å |
| 88 | S | 47.3 | Very low | 59 | Low | 85 Ų | 85 | 110.9 Ų | 110.9 | 59% | 0.594 | 57% | 0.574 | S | S | * | * | trans | -83.3 | 14.3 | 178.9 | 68.1 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 89 | L | 53.1 | Low | 57.4 | Low | 146 Ų | 146 | 112 Ų | 112 | 76% | 0.764 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -73 | 128.4 | 162.3 | -85.5 | 148.5 | 0 | 0 | 0 | 106.6 | T87 M91 | T87-L89 PolarHBondContact O-N 3.27Å; L89-M91 PolarHBondContact O-N 3.4Å; L89-M91 VanDerWaalsContact O-N 3.1Å |
| 90 | P | 44.2 | Very low | 55.6 | Low | 109 Ų | 109 | 112.5 Ų | 112.5 | 71% | 0.708 | 60% | 0.597 | S | S | * | * | trans | -53.3 | 123.8 | 175.1 | 22.6 | -31.4 | 0 | 0 | 0 | 108.1 | T92 | P90-T92 PolarHBondContact O-N 3.23Š| ||
| 91 | M | 43.8 | Very low | 53.9 | Low | 125 Ų | 125 | 117.9 Ų | 117.9 | 62% | 0.616 | 62% | 0.617 | S | S | * | * | trans | -58.5 | 104.1 | 179.1 | -168 | 81.8 | 133.3 | 0 | 0 | 107.4 | L89 M95 | L89-M91 PolarHBondContact O-N 3.4Å; L89-M91 VanDerWaalsContact O-N 3.1Å; M91-M95 HydrophobicContact CE-CE 4.47Å; M91-M95 HydrophobicContact CG-CB 4.28Å; M91-M95 HydrophobicContact SD-CB 4.03Å; M91-M95 HydrophobicContact SD-CE 3.81Å; M91-M95 HydrophobicContact SD-SD 3.86Å | ||
| 92 | T | 54.2 | Low | 52.2 | Low | 93 Ų | 93 | 119.6 Ų | 119.6 | 57% | 0.571 | 63% | 0.632 | S | S | * | * | trans | -70.6 | 145.3 | -178.5 | 10.3 | 0 | 0 | 0 | 0 | 109.1 | P90 E94 M95 | P90-T92 PolarHBondContact O-N 3.23Å; T92-E94 PolarHBondContact O-N 3.45Å; T92-M95 PolarHBondContact O-N 3.38Å | ||
| 93 | E | 55.9 | Low | 50.6 | Low | 129 Ų | 129 | 120.8 Ų | 120.8 | 60% | 0.603 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -51.6 | -24.5 | -173.1 | -160.5 | -173.9 | 140.8 | 0 | 0 | 113.8 | M95 L96 K97 | E93-M95 PolarHBondContact O-N 2.75Å; E93-L96 PolarHBondContact O-N 3.42Å; E93-K97 PolarHBondContact O-N 3.2Å; E93-K97 WeakPolarHBondContact OE1-CE 3.44Å; E93-K97 IonicContact OE1-NZ 3.88Å; E93-K97 PolarHBondContact OE1-NZ 3.01Å |
| 94 | E | 49 | Very low | 49.2 | Very low | 161 Ų | 161 | 126.8 Ų | 126.8 | 75% | 0.752 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -66.1 | -33.6 | 177.4 | -54.9 | -160.7 | 164.7 | 0 | 0 | 113.7 | T92 L96 K97 L98 | T92-E94 PolarHBondContact O-N 3.45Å; E94-L96 VanDerWaalsContact C-N 3.33Å; E94-L96 PolarHBondContact O-N 2.83Å; E94-K97 PolarHBondContact O-N 3.2Å; E94-L98 PolarHBondContact O-N 3.28Å |
| 95 | M | 48 | Very low | 48.2 | Very low | 107 Ų | 107 | 121 Ų | 121 | 53% | 0.527 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -73.3 | -26.6 | 179.7 | -65.6 | -173.7 | 65.4 | 0 | 0 | 112.4 | M91 T92 E93 | M91-M95 HydrophobicContact CE-CE 4.47Å; M91-M95 HydrophobicContact CG-CB 4.28Å; M91-M95 HydrophobicContact SD-CB 4.03Å; M91-M95 HydrophobicContact SD-CE 3.81Å; M91-M95 HydrophobicContact SD-SD 3.86Å; T92-M95 PolarHBondContact O-N 3.38Å; E93-M95 PolarHBondContact O-N 2.75Å |
| 96 | L | 55.7 | Low | 47.5 | Very low | 110 Ų | 110 | 123.6 Ų | 123.6 | 58% | 0.576 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -75.3 | -35.3 | 175 | -65 | 174.5 | 0 | 0 | 0 | 111.6 | E93 E94 L98 | E93-L96 PolarHBondContact O-N 3.42Å; E94-L96 VanDerWaalsContact C-N 3.33Å; E94-L96 PolarHBondContact O-N 2.83Å; L96-L98 VanDerWaalsContact C-N 3.33Å; L96-L98 PolarHBondContact O-N 3.42Å |
| 97 | K | 47.3 | Very low | 46.7 | Very low | 115 Ų | 115 | 126.2 Ų | 126.2 | 50% | 0.5 | 69% | 0.69 | S | S | . | * | H | α-helix | trans | -69.5 | -29.2 | 177.9 | -71 | 175.5 | -175 | 166.1 | 0 | 112.6 | E93 E94 V99 S100 | E93-K97 PolarHBondContact O-N 3.2Å; E93-K97 WeakPolarHBondContact OE1-CE 3.44Å; E93-K97 IonicContact OE1-NZ 3.88Å; E93-K97 PolarHBondContact OE1-NZ 3.01Å; E94-K97 PolarHBondContact O-N 3.2Å; K97-V99 PolarHBondContact O-N 2.86Å; K97-S100 PolarHBondContact O-N 2.88Å; K97-S100 PolarHBondContact O-OG 3.27Å |
| 98 | L | 51.9 | Low | 46.3 | Very low | 127 Ų | 127 | 130.2 Ų | 130.2 | 67% | 0.665 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -70.2 | -29.3 | -179.2 | -142.7 | 88.1 | 0 | 0 | 0 | 113.5 | E94 L96 S100 | E94-L98 PolarHBondContact O-N 3.28Å; L96-L98 VanDerWaalsContact C-N 3.33Å; L96-L98 PolarHBondContact O-N 3.42Å; L98-S100 VanDerWaalsContact C-N 3.35Å |
| 99 | V | 45.2 | Very low | 45.9 | Very low | 116 Ų | 116 | 136.6 Ų | 136.6 | 70% | 0.703 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -71.3 | -31.6 | 177.7 | 173.3 | 0 | 0 | 0 | 0 | 111.5 | K97 K101 | K97-V99 PolarHBondContact O-N 2.86Å; V99-K101 VanDerWaalsContact C-N 3.33Å; V99-K101 PolarHBondContact O-N 2.97Å |
| 100 | S | 43.8 | Very low | 45.1 | Very low | 86 Ų | 86 | 141 Ų | 141 | 60% | 0.601 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | -15.8 | -177.6 | 73.1 | 0 | 0 | 0 | 0 | 115.3 | K97 L98 | K97-S100 PolarHBondContact O-N 2.88Å; K97-S100 PolarHBondContact O-OG 3.27Å; L98-S100 VanDerWaalsContact C-N 3.35Å |
| 101 | K | 46.6 | Very low | 44.7 | Very low | 162 Ų | 162 | 145.6 Ų | 145.6 | 70% | 0.704 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | 0.4 | -174.2 | -72.2 | -179.2 | 178.4 | 176.8 | 0 | 114.9 | V99 V103 | V99-K101 VanDerWaalsContact C-N 3.33Å; V99-K101 PolarHBondContact O-N 2.97Å; K101-V103 PolarHBondContact O-N 3.06Å |
| 102 | N | 42.2 | Very low | 44.7 | Very low | 132 Ų | 132 | 150.9 Ų | 150.9 | 71% | 0.706 | 74% | 0.743 | S | S | * | * | trans | -97.2 | 33.2 | -176 | -68.6 | -48.8 | 0 | 0 | 0 | 114.6 | ||||
| 103 | V | 41.8 | Very low | 44.1 | Very low | 133 Ų | 133 | 155.5 Ų | 155.5 | 81% | 0.806 | 76% | 0.755 | S | S | * | * | trans | -110 | 96.6 | 165.3 | -175.8 | 0 | 0 | 0 | 0 | 108.3 | K101 | K101-V103 PolarHBondContact O-N 3.06Š| ||
| 104 | R | 43.3 | Very low | 43.5 | Very low | 228 Ų | 228 | 154.4 Ų | 154.4 | 86% | 0.86 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -92.2 | 133.7 | 171.7 | -67.3 | -174.8 | -178.6 | -173 | 0.3 | 109.6 | ||
| 105 | P | 37.9 | Very low | 43.1 | Very low | 125 Ų | 125 | 154.1 Ų | 154.1 | 81% | 0.812 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 140.9 | 170.3 | 31.4 | -29.7 | 0 | 0 | 0 | 110.9 | ||
| 106 | A | 40.1 | Very low | 42.6 | Very low | 98 Ų | 98 | 155.7 Ų | 155.7 | 81% | 0.81 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -76 | 124 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 107 | T | 35.3 | Very low | 42.3 | Very low | 143 Ų | 143 | 159 Ų | 159 | 88% | 0.877 | 78% | 0.783 | S | S | * | * | trans | -142 | 134.7 | 154.5 | 46.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 108 | K | 45.3 | Very low | 42.2 | Very low | 205 Ų | 205 | 163.2 Ų | 163.2 | 89% | 0.891 | 80% | 0.801 | S | S | * | * | trans | -68.4 | 143.6 | -179.4 | -62.5 | 169 | 176.6 | 172.5 | 0 | 110.4 | ||||
| 109 | K | 39.7 | Very low | 42 | Very low | 219 Ų | 219 | 168.3 Ų | 168.3 | 95% | 0.952 | 81% | 0.811 | S | S | * | * | -170.9 | 156.3 | 122.9 | -85.4 | -148.9 | -175.4 | 171.6 | 0 | 110.8 | |||||
| 110 | R | 36.6 | Very low | 41.7 | Very low | 237 Ų | 237 | 172 Ų | 172 | 89% | 0.894 | 82% | 0.821 | S | S | * | * | trans | -109.2 | 136.8 | -153.3 | 178.9 | -174.3 | -176.9 | -175.2 | 1.9 | 110.2 | ||||
| 111 | K | 35.9 | Very low | 41.7 | Very low | 207 Ų | 207 | 172.3 Ų | 172.3 | 90% | 0.9 | 82% | 0.819 | S | S | * | * | 174.3 | 144.4 | 126.4 | -95.3 | -176.8 | -179.6 | -173.2 | 0 | 112.8 | |||||
| 112 | R | 43.7 | Very low | 41.3 | Very low | 235 Ų | 235 | 172 Ų | 172 | 89% | 0.887 | 82% | 0.82 | S | S | * | * | trans | -79.2 | 158.1 | -175.7 | -59.8 | 172.1 | 157.2 | 174 | -8.7 | 111 | ||||
| 113 | K | 40.3 | Very low | 41.5 | Very low | 190 Ų | 190 | 172.1 Ų | 172.1 | 83% | 0.826 | 83% | 0.828 | S | S | * | * | 179.5 | -175 | 64.5 | -130.7 | -176.7 | -168.7 | -170.8 | 0 | 109.7 | |||||
| 114 | P | 44.2 | Very low | 41.6 | Very low | 106 Ų | 106 | 170.2 Ų | 170.2 | 69% | 0.688 | 82% | 0.821 | S | S | * | * | -120.3 | 168.9 | -111.1 | 42.5 | -27 | 0 | 0 | 0 | 119.4 | |||||
| 115 | Q | 41.5 | Very low | 41.7 | Very low | 156 Ų | 156 | 170.2 Ų | 170.2 | 73% | 0.729 | 82% | 0.821 | S | S | * | * | trans | 56.2 | 115.9 | 148.4 | -65 | -114.1 | 1.3 | 0 | 0 | 121.6 | ||||
| 116 | V | 36.2 | Very low | 41.5 | Very low | 140 Ų | 140 | 169.6 Ų | 169.6 | 85% | 0.848 | 82% | 0.82 | S | S | * | * | -146.6 | 132 | 126 | 177 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 117 | K | 49.8 | Very low | 41.2 | Very low | 180 Ų | 180 | 170.9 Ų | 170.9 | 78% | 0.783 | 82% | 0.817 | S | S | * | * | trans | -66.5 | 125.4 | 177 | -61.8 | 172.6 | 177.6 | 175.6 | 0 | 110.9 | ||||
| 118 | K | 44.5 | Very low | 41.2 | Very low | 202 Ų | 202 | 170.2 Ų | 170.2 | 88% | 0.878 | 81% | 0.814 | S | S | * | * | trans | -135.2 | 118.2 | 148 | -74 | -162.9 | 176.2 | -176.6 | 0 | 109.3 | E120 | K118-E120 PolarHBondContact O-N 3.34Š| ||
| 119 | R | 48.9 | Very low | 40.6 | Very low | 234 Ų | 234 | 169.8 Ų | 169.8 | 88% | 0.883 | 81% | 0.814 | S | S | * | * | trans | -80.8 | 92.9 | 175.9 | -170.1 | -174.4 | -177.8 | 171.7 | -0.9 | 106 | V121 | R119-V121 VanDerWaalsContact C-N 3.34Å; R119-V121 HydrophobicContact CG-CG2 3.86Å; R119-V121 PolarHBondContact O-N 3.49Å; R119-V121 VanDerWaalsContact O-N 3.14Å | ||
| 120 | E | 39.3 | Very low | 40.9 | Very low | 194 Ų | 194 | 171.1 Ų | 171.1 | 91% | 0.907 | 81% | 0.814 | S | S | * | * | trans | -82.1 | 88.1 | 173.9 | -155.1 | 162.9 | -143.5 | 0 | 0 | 107.4 | K118 | K118-E120 PolarHBondContact O-N 3.34Š| ||
| 121 | V | 43.5 | Very low | 40.8 | Very low | 92 Ų | 92 | 164.7 Ų | 164.7 | 56% | 0.558 | 81% | 0.805 | S | S | * | * | trans | -80.5 | 122.2 | 167.5 | -177.8 | 0 | 0 | 0 | 0 | 106.1 | R119 | R119-V121 VanDerWaalsContact C-N 3.34Å; R119-V121 HydrophobicContact CG-CG2 3.86Å; R119-V121 PolarHBondContact O-N 3.49Å; R119-V121 VanDerWaalsContact O-N 3.14Å | ||
| 122 | H | 37.3 | Very low | 40.8 | Very low | 155 Ų | 155 | 160 Ų | 160 | 72% | 0.718 | 80% | 0.799 | S | S | * | * | trans | -51 | 142 | 172.6 | -98.8 | -85.2 | 0 | 0 | 0 | 111.1 | S124 | H122-S124 PolarHBondContact O-N 3.09Š| ||
| 123 | P | 46 | Very low | 40.7 | Very low | 135 Ų | 135 | 154.6 Ų | 154.6 | 88% | 0.877 | 79% | 0.793 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | 23.4 | -171.1 | 31.4 | -35.6 | 0 | 0 | 0 | 114.8 | ||
| 124 | S | 43.8 | Very low | 40.5 | Very low | 94 Ų | 94 | 155.8 Ų | 155.8 | 66% | 0.657 | 79% | 0.793 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.5 | 7.5 | -177.1 | 58.9 | 0 | 0 | 0 | 0 | 114.9 | H122 | H122-S124 PolarHBondContact O-N 3.09Š|
| 125 | W | 45.5 | Very low | 40.4 | Very low | 227 Ų | 227 | 158.3 Ų | 158.3 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | trans | -138.7 | 85.3 | 176.5 | -83.1 | -26.6 | 0 | 0 | 0 | 113.7 | ||||
| 126 | S | 33.9 | Very low | 40.2 | Very low | 113 Ų | 113 | 159.2 Ų | 159.2 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | trans | 173.2 | 133.5 | 149.5 | 17.2 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 127 | T | 33.5 | Very low | 40.2 | Very low | 124 Ų | 124 | 155.7 Ų | 155.7 | 76% | 0.761 | 80% | 0.795 | S | S | * | * | cis | -161 | 149.9 | 12.2 | 27.7 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 128 | T | 36.3 | Very low | 39.7 | Very low | 130 Ų | 130 | 154.9 Ų | 154.9 | 80% | 0.798 | 80% | 0.798 | S | S | * | * | trans | 47.6 | 103 | 141.7 | -49.3 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 129 | E | 31.9 | Very low | 39.4 | Very low | 195 Ų | 195 | 155 Ų | 155 | 91% | 0.911 | 79% | 0.793 | S | S | * | * | -140.2 | 139.3 | 128.5 | -131 | 177 | -163.4 | 0 | 0 | 111.4 | S131 | E129-S131 PolarHBondContact O-N 3.04Š| |||
| 130 | R | 45.4 | Very low | 39.2 | Very low | 248 Ų | 248 | 148.9 Ų | 148.9 | 94% | 0.936 | 78% | 0.784 | S | S | * | * | trans | -73.3 | 98 | -170 | -175.5 | -171.1 | -157.8 | -147.3 | 7.6 | 109.4 | ||||
| 131 | S | 35 | Very low | 39.6 | Very low | 102 Ų | 102 | 145.3 Ų | 145.3 | 71% | 0.713 | 78% | 0.777 | S | S | * | * | trans | -150.2 | 105 | 160.3 | 122.1 | 0 | 0 | 0 | 0 | 109.6 | E129 P133 | E129-S131 PolarHBondContact O-N 3.04Å; S131-P133 WeakPolarHBondContact O-CD 3.44Å | ||
| 132 | S | 36.4 | Very low | 39.3 | Very low | 109 Ų | 109 | 149.1 Ų | 149.1 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | trans | -68.4 | 121 | 158.4 | 31 | 0 | 0 | 0 | 0 | 107.5 | R134 | S132-R134 PolarHBondContact O-N 3.15Š| ||
| 133 | P | 42.1 | Very low | 39.3 | Very low | 120 Ų | 120 | 147.8 Ų | 147.8 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | trans | -71.8 | 91.1 | 159.8 | 29.7 | -27.9 | 0 | 0 | 0 | 105.8 | S131 I135 | S131-P133 WeakPolarHBondContact O-CD 3.44Å; P133-I135 PolarHBondContact O-N 2.66Å | ||
| 134 | R | 36.4 | Very low | 38.9 | Very low | 215 Ų | 215 | 148.5 Ų | 148.5 | 81% | 0.811 | 79% | 0.787 | S | S | * | * | trans | -45.8 | 123.6 | 157.5 | -177.6 | 179.3 | -67.5 | -148 | -0.9 | 105.9 | S132 Q136 | S132-R134 PolarHBondContact O-N 3.15Å; R134-Q136 VanDerWaalsContact C-N 3.3Å; R134-Q136 PolarHBondContact O-N 3.2Å | ||
| 135 | I | 42.2 | Very low | 38.6 | Very low | 159 Ų | 159 | 149 Ų | 149 | 82% | 0.815 | 79% | 0.786 | S | S | * | * | trans | -51.7 | 102.3 | 168.3 | -62.8 | 166.3 | 0 | 0 | 0 | 105.6 | P133 G137 | P133-I135 PolarHBondContact O-N 2.66Å; I135-G137 VanDerWaalsContact C-N 3.3Å; I135-G137 PolarHBondContact O-N 2.84Å | ||
| 136 | Q | 37.3 | Very low | 38 | Very low | 175 Ų | 175 | 143.6 Ų | 143.6 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | -72.9 | 100.1 | 165.3 | -72.4 | -172.5 | 15.5 | 0 | 0 | 104.3 | R134 I138 | R134-Q136 VanDerWaalsContact C-N 3.3Å; R134-Q136 PolarHBondContact O-N 3.2Å; Q136-I138 PolarHBondContact O-N 3.4Å | ||
| 137 | G | 34.6 | Very low | 38.2 | Very low | 67 Ų | 67 | 145.8 Ų | 145.8 | 69% | 0.691 | 77% | 0.771 | S | S | * | * | trans | -55.4 | 110 | 165 | 0 | 0 | 0 | 0 | 0 | 106.9 | I135 R139 | I135-G137 VanDerWaalsContact C-N 3.3Å; I135-G137 PolarHBondContact O-N 2.84Å; G137-R139 PolarHBondContact O-N 2.74Å; G137-R139 VanDerWaalsContact O-N 3.14Å | ||
| 138 | I | 40.5 | Very low | 38.3 | Very low | 163 Ų | 163 | 147.3 Ų | 147.3 | 84% | 0.836 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 116.4 | 169.2 | -60 | 175.8 | 0 | 0 | 0 | 105.4 | Q136 | Q136-I138 PolarHBondContact O-N 3.4Š|
| 139 | R | 38.3 | Very low | 38.1 | Very low | 204 Ų | 204 | 147 Ų | 147 | 77% | 0.77 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 128.2 | 170.6 | -167.8 | 177.4 | -176.7 | 156.7 | -2.5 | 107.7 | G137 | G137-R139 PolarHBondContact O-N 2.74Å; G137-R139 VanDerWaalsContact O-N 3.14Å |
| 140 | P | 45.1 | Very low | 38.4 | Very low | 106 Ų | 106 | 144 Ų | 144 | 69% | 0.688 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 138.4 | 173.9 | -17.5 | 29.1 | 0 | 0 | 0 | 109.7 | E142 | P140-E142 PolarHBondContact O-N 3.4Š|
| 141 | P | 46.3 | Very low | 37.6 | Very low | 119 Ų | 119 | 138 Ų | 138 | 77% | 0.773 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 133.4 | 167.1 | -19.9 | 32.2 | 0 | 0 | 0 | 110.1 | V143 | P141-V143 PolarHBondContact O-N 2.91Š|
| 142 | E | 36.7 | Very low | 37.2 | Very low | 171 Ų | 171 | 138.5 Ų | 138.5 | 80% | 0.799 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 119.6 | 176 | -71.2 | 166.3 | 176.2 | 0 | 0 | 109.9 | P140 L144 | P140-E142 PolarHBondContact O-N 3.4Å; E142-L144 PolarHBondContact O-N 3.48Å |
| 143 | V | 38.6 | Very low | 36.9 | Very low | 128 Ų | 128 | 138.1 Ų | 138.1 | 78% | 0.776 | 75% | 0.753 | S | S | * | * | trans | -83.1 | 103.4 | 170.1 | -175.3 | 0 | 0 | 0 | 0 | 106.6 | P141 V145 | P141-V143 PolarHBondContact O-N 2.91Å; V143-V145 PolarHBondContact O-N 2.94Å; V143-V145 VanDerWaalsContact O-N 3.14Å | ||
| 144 | L | 37.5 | Very low | 36.7 | Very low | 149 Ų | 149 | 142.1 Ų | 142.1 | 78% | 0.78 | 76% | 0.758 | S | S | * | * | trans | -58.6 | 109.9 | 165 | -170.3 | 94.4 | 0 | 0 | 0 | 107.6 | E142 D146 | E142-L144 PolarHBondContact O-N 3.48Å; L144-D146 PolarHBondContact O-N 2.9Å | ||
| 145 | V | 37.6 | Very low | 36.4 | Very low | 104 Ų | 104 | 137.5 Ų | 137.5 | 63% | 0.63 | 75% | 0.753 | S | S | * | * | trans | -86.3 | 96.8 | 176.9 | -175.2 | 0 | 0 | 0 | 0 | 107.4 | V143 | V143-V145 PolarHBondContact O-N 2.94Å; V143-V145 VanDerWaalsContact O-N 3.14Å | ||
| 146 | D | 31.7 | Very low | 35.9 | Very low | 115 Ų | 115 | 135.9 Ų | 135.9 | 62% | 0.615 | 75% | 0.753 | S | S | * | * | trans | -79.3 | 120.9 | 165.7 | -103.8 | -29 | 0 | 0 | 0 | 109.4 | L144 H148 | L144-D146 PolarHBondContact O-N 2.9Å; D146-H148 PolarHBondContact O-N 3.15Å; D146-H148 VanDerWaalsContact O-N 3.16Å | ||
| 147 | H | 38.4 | Very low | 35.7 | Very low | 159 Ų | 159 | 135.4 Ų | 135.4 | 74% | 0.736 | 76% | 0.755 | S | S | * | * | trans | -76.7 | 96.3 | 177.9 | -58.5 | -75.3 | 0 | 0 | 0 | 109.7 | ||||
| 148 | H | 35.5 | Very low | 35.5 | Very low | 155 Ų | 155 | 140.8 Ų | 140.8 | 72% | 0.718 | 76% | 0.762 | S | S | * | * | trans | -104.3 | 107.1 | 164.1 | -63.1 | -54.1 | 0 | 0 | 0 | 109.9 | D146 V150 | D146-H148 PolarHBondContact O-N 3.15Å; D146-H148 VanDerWaalsContact O-N 3.16Å; H148-V150 PolarHBondContact O-N 3.12Å | ||
| 149 | T | 33.4 | Very low | 35.1 | Very low | 124 Ų | 124 | 139.1 Ų | 139.1 | 76% | 0.761 | 76% | 0.76 | S | S | * | * | trans | -58.5 | 118 | 171.5 | 42.6 | 0 | 0 | 0 | 0 | 109.9 | V151 | T149-V151 PolarHBondContact O-N 3.1Š| ||
| 150 | V | 36.4 | Very low | 34.7 | Very low | 133 Ų | 133 | 134.6 Ų | 134.6 | 81% | 0.806 | 75% | 0.754 | S | S | * | * | trans | -75.8 | 96.7 | 169.4 | 179.9 | 0 | 0 | 0 | 0 | 107.6 | H148 C152 | H148-V150 PolarHBondContact O-N 3.12Å; V150-C152 PolarHBondContact O-N 3.46Å | ||
| 151 | V | 29.3 | Very low | 34.3 | Very low | 121 Ų | 121 | 138.2 Ų | 138.2 | 73% | 0.733 | 76% | 0.762 | S | S | * | * | trans | -74.7 | 112.1 | 166 | 175.6 | 0 | 0 | 0 | 0 | 107.4 | T149 S153 | T149-V151 PolarHBondContact O-N 3.1Å; V151-S153 PolarHBondContact O-N 3.08Å; V151-S153 VanDerWaalsContact O-N 3.13Å | ||
| 152 | C | 25.9 | Very low | 33.5 | Very low | 113 Ų | 113 | 140.3 Ų | 140.3 | 76% | 0.764 | 76% | 0.763 | S | S | * | * | trans | -67.3 | 105.6 | 170.9 | -65.8 | 0 | 0 | 0 | 0 | 109.6 | V150 K154 | V150-C152 PolarHBondContact O-N 3.46Å; C152-K154 PolarHBondContact O-N 3.41Å | ||
| 153 | S | 30.2 | Very low | 33.5 | Very low | 101 Ų | 101 | 140.3 Ų | 140.3 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | trans | -77.6 | 113.5 | 169.3 | 54.5 | 0 | 0 | 0 | 0 | 110 | V151 | V151-S153 PolarHBondContact O-N 3.08Å; V151-S153 VanDerWaalsContact O-N 3.13Å | ||
| 154 | K | 38.4 | Very low | 33.7 | Very low | 203 Ų | 203 | 141.8 Ų | 141.8 | 88% | 0.883 | 77% | 0.766 | S | S | * | * | trans | -69.6 | 122.3 | 162.4 | -72.8 | 177.5 | 174.2 | -179.1 | 0 | 108.3 | C152 | C152-K154 PolarHBondContact O-N 3.41Š| ||
| 155 | T | 30.6 | Very low | 33.9 | Very low | 118 Ų | 118 | 142.4 Ų | 142.4 | 72% | 0.724 | 77% | 0.771 | S | S | * | * | trans | -136.2 | 142.4 | 165.3 | 44.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 156 | P | 31.5 | Very low | 34 | Very low | 125 Ų | 125 | 144.3 Ų | 144.3 | 81% | 0.812 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 144.7 | -171.5 | 33.3 | -33.7 | 0 | 0 | 0 | 111.3 | Q158 | P156-Q158 PolarHBondContact O-N 2.9Š|
| 157 | I | 33 | Very low | 34.8 | Very low | 166 Ų | 166 | 143.3 Ų | 143.3 | 85% | 0.851 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 117.9 | 177.2 | -61.5 | 167.7 | 0 | 0 | 0 | 108.1 | ||
| 158 | Q | 30.9 | Very low | 35.6 | Very low | 180 Ų | 180 | 142.9 Ų | 142.9 | 84% | 0.841 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -92.5 | 122.9 | 163.5 | -122.7 | 176.4 | 9.1 | 0 | 0 | 108.1 | P156 V160 | P156-Q158 PolarHBondContact O-N 2.9Å; Q158-V160 PolarHBondContact O-N 2.99Å |
| 159 | T | 30.8 | Very low | 36.7 | Very low | 128 Ų | 128 | 138.9 Ų | 138.9 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 118.9 | 174.3 | -52.5 | 0 | 0 | 0 | 0 | 109.3 | ||
| 160 | V | 30.6 | Very low | 38 | Very low | 108 Ų | 108 | 136 Ų | 136 | 66% | 0.655 | 75% | 0.745 | S | S | * | * | trans | -110.6 | 115.5 | 166.5 | 172.8 | 0 | 0 | 0 | 0 | 106.4 | Q158 M162 | Q158-V160 PolarHBondContact O-N 2.99Å; V160-M162 HydrophobicContact CG1-CE 4.14Å; V160-M162 PolarHBondContact O-N 3.28Å | ||
| 161 | E | 36.9 | Very low | 39.8 | Very low | 183 Ų | 183 | 131.9 Ų | 131.9 | 86% | 0.855 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -65 | 119.1 | 168.4 | -68.9 | 178.3 | 158 | 0 | 0 | 108 | ||
| 162 | M | 30.5 | Very low | 41.9 | Very low | 162 Ų | 162 | 133.1 Ų | 133.1 | 80% | 0.798 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -103.8 | 129.4 | 170.6 | -71.1 | -91 | 81.1 | 0 | 0 | 107.9 | V160 | V160-M162 HydrophobicContact CG1-CE 4.14Å; V160-M162 PolarHBondContact O-N 3.28Å |
| 163 | L | 36.7 | Very low | 44.1 | Very low | 172 Ų | 172 | 133.5 Ų | 133.5 | 90% | 0.901 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 140.3 | 176.6 | -170.7 | 73.5 | 0 | 0 | 0 | 110.7 | ||
| 164 | E | 42.9 | Very low | 46.3 | Very low | 158 Ų | 158 | 130.2 Ų | 130.2 | 74% | 0.738 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 125 | -179.9 | -63.3 | 179.7 | 140.8 | 0 | 0 | 112.5 | ||
| 165 | D | 40.9 | Very low | 47.7 | Very low | 163 Ų | 163 | 125.1 Ų | 125.1 | 87% | 0.872 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -170.2 | 134.1 | 132.4 | -106.6 | -30.2 | 0 | 0 | 0 | 109.7 | ||
| 166 | D | 39.5 | Very low | 49.7 | Very low | 143 Ų | 143 | 123.2 Ų | 123.2 | 77% | 0.765 | 65% | 0.654 | S | S | * | * | trans | 62.9 | 82.5 | -177.5 | -152.4 | 39.3 | 0 | 0 | 0 | 117.2 | Q168 | D166-Q168 PolarHBondContact O-N 3.21Å; D166-Q168 VanDerWaalsContact O-N 3.16Å | ||
| 167 | V | 48.8 | Very low | 51.6 | Low | 95 Ų | 95 | 125.3 Ų | 125.3 | 58% | 0.576 | 65% | 0.653 | S | S | * | * | trans | -85 | 90.1 | -178.4 | -171.3 | 0 | 0 | 0 | 0 | 110.8 | V192 | V167-V192 HydrophobicContact CG1-CB 4.36Å; V167-V192 HydrophobicContact CG1-CG2 3.95Å | ||
| 168 | Q | 54 | Low | 53 | Low | 149 Ų | 149 | 118.4 Ų | 118.4 | 70% | 0.696 | 62% | 0.623 | S | S | * | * | trans | -64.5 | 142.9 | 165.9 | -79.8 | -174.4 | -6.7 | 0 | 0 | 111.4 | D166 C170 | D166-Q168 PolarHBondContact O-N 3.21Å; D166-Q168 VanDerWaalsContact O-N 3.16Å; Q168-C170 PolarHBondContact O-N 3.28Å | ||
| 169 | P | 59.6 | Low | 54.2 | Low | 71 Ų | 71 | 119.1 Ų | 119.1 | 46% | 0.461 | 63% | 0.632 | S | S | . | * | trans | -62.1 | 114.9 | 173 | 26.5 | -33 | 0 | 0 | 0 | 109 | I44 Q190 T191 | I44-P169 HydrophobicContact CD1-CB 4.4Å; I44-P169 HydrophobicContact CD1-CG 4.43Å; I44-P169 VanDerWaalsContact CD1-O 3.29Å; I44-P169 WeakPolarHBondContact CD1-O 3.22Å; P169-Q190 WeakPolarHBondContact CA-O 3.29Å; P169-T191 HydrophobicContact CB-CG2 4.42Å | ||
| 170 | C | 61.3 | Low | 55.7 | Low | 64 Ų | 64 | 117.1 Ų | 117.1 | 43% | 0.432 | 62% | 0.623 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.4 | 142.3 | -177.2 | 60.2 | 0 | 0 | 0 | 0 | 111.4 | Q168 Q190 | Q168-C170 PolarHBondContact O-N 3.28Å; C170-Q190 PolarHBondContact O-N 3.49Å |
| 171 | L | 74.8 | Confident | 57 | Low | 46 Ų | 46 | 115 Ų | 115 | 24% | 0.241 | 62% | 0.623 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -90 | 113.9 | 173.5 | -64.8 | -177.1 | 0 | 0 | 0 | 109 | A41 I44 L45 L187 I189 | A41-L171 HydrophobicContact CB-CD2 3.74Å; I44-L171 HydrophobicContact CB-CD1 4.28Å; I44-L171 HydrophobicContact CD1-CD2 4.26Å; I44-L171 HydrophobicContact CD1-CG 4.01Å; I44-L171 HydrophobicContact CG2-CD1 4.18Å; I44-L171 HydrophobicContact CG2-CG 4.42Å; L45-L171 HydrophobicContact CD1-CD1 4.34Å; L45-L171 HydrophobicContact CD2-CD1 3.85Å; L45-L171 HydrophobicContact CG-CD1 3.9Å; L171-L187 HydrophobicContact CB-CD1 4.08Å; L171-I189 HydrophobicContact CD2-CB 4.28Å; L171-I189 HydrophobicContact CD2-CG1 3.68Å; L171-I189 HydrophobicContact CD2-CG2 4.17Å |
| 172 | R | 73.1 | Confident | 57.6 | Low | 147 Ų | 147 | 113.6 Ų | 113.6 | 56% | 0.555 | 61% | 0.614 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -103.6 | 120.4 | 179.8 | -173.9 | 178.3 | 176.5 | -178.2 | -1 | 110.7 | T174 L187 Q188 | R172-T174 HydrophobicContact CG-CG2 4.26Å; R172-L187 CarbonylContact O-C 3.56Å; R172-L187 WeakPolarHBondContact O-CA 3.42Å; R172-Q188 HydrophobicContact CB-CB 4.42Å; R172-Q188 PolarHBondContact N-O 2.71Å; R172-Q188 PolarHBondContact O-N 2.91Å |
| 173 | L | 71.3 | Confident | 59.2 | Low | 121 Ų | 121 | 112.8 Ų | 112.8 | 63% | 0.634 | 61% | 0.608 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -94.6 | 124.4 | 172.4 | -156.9 | 99.4 | 0 | 0 | 0 | 109.5 | A185 L187 | L173-A185 HydrophobicContact CD1-CB 4.06Å; L173-A185 HydrophobicContact CD2-CB 3.66Å; L173-A185 HydrophobicContact CG-CB 3.83Å; L173-L187 HydrophobicContact CD1-CB 4.47Å; L173-L187 HydrophobicContact CD1-CD1 4.11Å |
| 174 | T | 76.3 | Confident | 60.5 | Low | 33 Ų | 33 | 107.4 Ų | 107.4 | 20% | 0.202 | 58% | 0.582 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.2 | 127.7 | 175.5 | 51.4 | 0 | 0 | 0 | 0 | 109.6 | R172 A185 R186 | R172-T174 HydrophobicContact CG-CG2 4.26Å; T174-A185 CarbonylContact O-C 3.5Å; T174-A185 WeakPolarHBondContact O-CA 3.38Å; T174-R186 PolarHBondContact N-O 3.42Å; T174-R186 PolarHBondContact O-N 3.36Å; T174-R186 PolarHBondContact OG1-O 3.46Å; T174-R186 VanDerWaalsContact OG1-O 3.05Å |
| 175 | S | 67.3 | Low | 61.7 | Low | 95 Ų | 95 | 102.8 Ų | 102.8 | 66% | 0.664 | 57% | 0.571 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -73 | 128.7 | 174.3 | -176.3 | 0 | 0 | 0 | 0 | 109.2 | ||
| 176 | I | 72.8 | Confident | 63.2 | Low | 79 Ų | 79 | 101.9 Ų | 101.9 | 41% | 0.405 | 56% | 0.556 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -126 | 129.8 | 175.1 | 49.6 | 157.7 | 0 | 0 | 0 | 109.2 | G178 T184 R186 | I176-G178 PolarHBondContact O-N 3.36Å; I176-T184 CarbonylContact C-O 3.53Å; I176-T184 WeakPolarHBondContact CG1-O 3.16Å; I176-T184 WeakPolarHBondContact CG1-OG1 3.35Å; I176-T184 PolarHBondContact N-O 3.19Å; I176-T184 CarbonylContact O-C 3.57Å; I176-T184 WeakPolarHBondContact O-CA 3.27Å; I176-T184 PolarHBondContact O-N 3.36Å; I176-T184 PolarHBondContact O-OG1 3.46Å; I176-R186 HydrophobicContact CD1-CB 4.14Å; I176-R186 HydrophobicContact CG1-CB 4.28Å |
| 177 | E | 72 | Confident | 64.8 | Low | 168 Ų | 168 | 99.4 Ų | 99.4 | 79% | 0.785 | 54% | 0.542 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 114.5 | 174.9 | -68.4 | -176.4 | 171.9 | 0 | 0 | 108.8 | ||
| 178 | G | 62.3 | Low | 66 | Low | 22 Ų | 22 | 98.2 Ų | 98.2 | 23% | 0.227 | 53% | 0.53 | C | S | . | . | trans | -72.9 | 151.7 | 174 | 0 | 0 | 0 | 0 | 0 | 110.7 | I176 S180 G181 F182 | I176-G178 PolarHBondContact O-N 3.36Å; G178-S180 PolarHBondContact O-N 3.45Å; G178-G181 PolarHBondContact O-N 3.42Å; G178-F182 PolarHBondContact N-O 2.99Å | ||
| 179 | L | 57.2 | Low | 66.8 | Low | 195 Ų | 195 | 93.7 Ų | 93.7 | 100% | 1.021 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -14.1 | 175.1 | -64.3 | 172.9 | 0 | 0 | 0 | 113.7 | ||
| 180 | S | 61.8 | Low | 67 | Low | 85 Ų | 85 | 95.1 Ų | 95.1 | 59% | 0.594 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | 3.2 | 176.1 | 56.5 | 0 | 0 | 0 | 0 | 114.4 | G178 F182 | G178-S180 PolarHBondContact O-N 3.45Å; S180-F182 VanDerWaalsContact O-CD2 3.3Å; S180-F182 WeakPolarHBondContact O-CD2 3.39Å; S180-F182 PolarHBondContact O-N 3.46Å |
| 181 | G | 56.6 | Low | 66.7 | Low | 64 Ų | 64 | 94.9 Ų | 94.9 | 66% | 0.66 | 51% | 0.508 | S | S | * | . | S | Bend | trans | 74.8 | -2.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | G178 | G178-G181 PolarHBondContact O-N 3.42Š|
| 182 | F | 51.2 | Low | 65.8 | Low | 153 Ų | 153 | 96.6 Ų | 96.6 | 67% | 0.671 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -87.6 | 138.6 | 174.1 | -60.8 | -74 | 0 | 0 | 0 | 110.7 | G178 S180 T184 | G178-F182 PolarHBondContact N-O 2.99Å; S180-F182 VanDerWaalsContact O-CD2 3.3Å; S180-F182 WeakPolarHBondContact O-CD2 3.39Å; S180-F182 PolarHBondContact O-N 3.46Å; F182-T184 PolarHBondContact O-N 3.5Å |
| 183 | H | 63.1 | Low | 64.4 | Low | 145 Ų | 145 | 100 Ų | 100 | 67% | 0.671 | 53% | 0.533 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 120.4 | 176.4 | -58.7 | -5.3 | 0 | 0 | 0 | 109 | ||
| 184 | T | 64.1 | Low | 62.7 | Low | 59 Ų | 59 | 101.8 Ų | 101.8 | 36% | 0.362 | 54% | 0.538 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 151.4 | 172.3 | 46.2 | 0 | 0 | 0 | 0 | 108.7 | I176 F182 | I176-T184 CarbonylContact C-O 3.53Å; I176-T184 WeakPolarHBondContact CG1-O 3.16Å; I176-T184 WeakPolarHBondContact CG1-OG1 3.35Å; I176-T184 PolarHBondContact N-O 3.19Å; I176-T184 CarbonylContact O-C 3.57Å; I176-T184 WeakPolarHBondContact O-CA 3.27Å; I176-T184 PolarHBondContact O-N 3.36Å; I176-T184 PolarHBondContact O-OG1 3.46Å; F182-T184 PolarHBondContact O-N 3.5Å |
| 185 | A | 69.1 | Low | 60.6 | Low | 61 Ų | 61 | 106.3 Ų | 106.3 | 50% | 0.504 | 57% | 0.565 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -119.9 | 131.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | L173 T174 | L173-A185 HydrophobicContact CD1-CB 4.06Å; L173-A185 HydrophobicContact CD2-CB 3.66Å; L173-A185 HydrophobicContact CG-CB 3.83Å; T174-A185 CarbonylContact O-C 3.5Å; T174-A185 WeakPolarHBondContact O-CA 3.38Å |
| 186 | R | 70.8 | Confident | 59.1 | Low | 145 Ų | 145 | 110 Ų | 110 | 55% | 0.547 | 57% | 0.572 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101 | 116 | 173.4 | -179.1 | -179.6 | -179.5 | -176.2 | -0.4 | 108.9 | T174 I176 Q188 | T174-R186 PolarHBondContact N-O 3.42Å; T174-R186 PolarHBondContact O-N 3.36Å; T174-R186 PolarHBondContact OG1-O 3.46Å; T174-R186 VanDerWaalsContact OG1-O 3.05Å; I176-R186 HydrophobicContact CD1-CB 4.14Å; I176-R186 HydrophobicContact CG1-CB 4.28Å; R186-Q188 HydrophobicContact CG-CG 4.37Å |
| 187 | L | 73.5 | Confident | 57 | Low | 91 Ų | 91 | 111.9 Ų | 111.9 | 48% | 0.476 | 59% | 0.587 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -80.1 | 126.6 | 169.1 | -172.7 | 67.7 | 0 | 0 | 0 | 109.2 | L171 R172 L173 | L171-L187 HydrophobicContact CB-CD1 4.08Å; R172-L187 CarbonylContact O-C 3.56Å; R172-L187 WeakPolarHBondContact O-CA 3.42Å; L173-L187 HydrophobicContact CD1-CB 4.47Å; L173-L187 HydrophobicContact CD1-CD1 4.11Å |
| 188 | Q | 73.6 | Confident | 55.2 | Low | 70 Ų | 70 | 109.9 Ų | 109.9 | 33% | 0.327 | 59% | 0.589 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -114.7 | 134.1 | 172.6 | -67.2 | 179 | -47 | 0 | 0 | 108.5 | R172 R186 | R172-Q188 HydrophobicContact CB-CB 4.42Å; R172-Q188 PolarHBondContact N-O 2.71Å; R172-Q188 PolarHBondContact O-N 2.91Å; R186-Q188 HydrophobicContact CG-CG 4.37Å |
| 189 | I | 72.1 | Confident | 53.8 | Low | 54 Ų | 54 | 114.8 Ų | 114.8 | 28% | 0.277 | 62% | 0.617 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.9 | 109.8 | 177.1 | -55.6 | 163.9 | 0 | 0 | 0 | 106.1 | V37 A41 L171 T191 | V37-I189 HydrophobicContact CG1-CB 4.08Å; V37-I189 HydrophobicContact CG1-CD1 3.89Å; V37-I189 HydrophobicContact CG1-CG2 3.75Å; A41-I189 HydrophobicContact CB-CD1 3.62Å; A41-I189 HydrophobicContact CB-CG1 4.03Å; A41-I189 HydrophobicContact CB-CG2 4.41Å; L171-I189 HydrophobicContact CD2-CB 4.28Å; L171-I189 HydrophobicContact CD2-CG1 3.68Å; L171-I189 HydrophobicContact CD2-CG2 4.17Å; I189-T191 HydrophobicContact CG2-CG2 4.25Å |
| 190 | Q | 62.4 | Low | 52.5 | Low | 101 Ų | 101 | 112 Ų | 112 | 47% | 0.472 | 61% | 0.608 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.9 | 109.6 | 177.9 | -167.5 | 167.5 | -7.5 | 0 | 0 | 108.1 | P169 C170 V192 | P169-Q190 WeakPolarHBondContact CA-O 3.29Å; C170-Q190 PolarHBondContact O-N 3.49Å; Q190-V192 HydrophobicContact CG-CG2 4.28Å |
| 191 | T | 56.2 | Low | 51 | Low | 59 Ų | 59 | 112.1 Ų | 112.1 | 36% | 0.362 | 61% | 0.609 | S | S | . | * | trans | -111.8 | 106.1 | 169.6 | 46.6 | 0 | 0 | 0 | 0 | 106.3 | P169 I189 W193 | P169-T191 HydrophobicContact CB-CG2 4.42Å; I189-T191 HydrophobicContact CG2-CG2 4.25Å; T191-W193 PolarHBondContact O-N 3.35Å | ||
| 192 | V | 54.5 | Low | 49.7 | Very low | 81 Ų | 81 | 118.6 Ų | 118.6 | 49% | 0.491 | 62% | 0.619 | S | S | . | * | trans | -82.8 | 105.2 | 174.3 | 179.1 | 0 | 0 | 0 | 0 | 106.4 | V167 Q190 E194 | V167-V192 HydrophobicContact CG1-CB 4.36Å; V167-V192 HydrophobicContact CG1-CG2 3.95Å; Q190-V192 HydrophobicContact CG-CG2 4.28Å; V192-E194 HydrophobicContact CG1-CG 4.19Å | ||
| 193 | W | 44.1 | Very low | 49 | Very low | 220 Ų | 220 | 116.5 Ų | 116.5 | 83% | 0.833 | 62% | 0.621 | S | S | * | * | trans | -105.2 | 98.3 | 164.2 | -70 | 36.9 | 0 | 0 | 0 | 104.5 | T191 T195 | T191-W193 PolarHBondContact O-N 3.35Å; W193-T195 PolarHBondContact O-N 3.4Å | ||
| 194 | E | 35.4 | Very low | 47.3 | Very low | 158 Ų | 158 | 115 Ų | 115 | 74% | 0.738 | 63% | 0.626 | S | S | * | * | trans | -63 | 108 | 168.8 | -80.8 | -165.1 | 140.6 | 0 | 0 | 108.1 | V192 E196 | V192-E194 HydrophobicContact CG1-CG 4.19Å; E194-E196 PolarHBondContact O-N 2.88Å | ||
| 195 | T | 33 | Very low | 46.2 | Very low | 127 Ų | 127 | 117.1 Ų | 117.1 | 78% | 0.779 | 64% | 0.641 | S | S | * | * | trans | -84.4 | 100.8 | 156.1 | -52.7 | 0 | 0 | 0 | 0 | 105.8 | W193 T197 | W193-T195 PolarHBondContact O-N 3.4Å; T195-T197 PolarHBondContact O-N 2.92Å | ||
| 196 | E | 35 | Very low | 44.3 | Very low | 173 Ų | 173 | 122.7 Ų | 122.7 | 81% | 0.808 | 66% | 0.657 | S | S | * | * | trans | -54.8 | 118.9 | 166.5 | -75.8 | -172 | 126.4 | 0 | 0 | 109.7 | E194 | E194-E196 PolarHBondContact O-N 2.88Š| ||
| 197 | T | 29.6 | Very low | 42.3 | Very low | 119 Ų | 119 | 123.3 Ų | 123.3 | 73% | 0.73 | 67% | 0.67 | S | S | * | * | trans | -175.7 | 123.7 | 139.8 | 21.3 | 0 | 0 | 0 | 0 | 109 | T195 | T195-T197 PolarHBondContact O-N 2.92Š| ||
| 198 | P | 33.2 | Very low | 41.2 | Very low | 126 Ų | 126 | 124.2 Ų | 124.2 | 82% | 0.818 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 139 | -173.8 | 32.5 | -31.9 | 0 | 0 | 0 | 112.1 | ||
| 199 | P | 34 | Very low | 39.6 | Very low | 125 Ų | 125 | 126.2 Ų | 126.2 | 81% | 0.812 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 139.6 | 161.9 | 32.8 | -27.5 | 0 | 0 | 0 | 111.3 | ||
| 200 | V | 30.3 | Very low | 37.5 | Very low | 137 Ų | 137 | 129.5 Ų | 129.5 | 83% | 0.83 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 134.3 | 177.4 | 173 | 0 | 0 | 0 | 0 | 111.5 | ||
| 201 | S | 29.7 | Very low | 36.1 | Very low | 87 Ų | 87 | 132.2 Ų | 132.2 | 61% | 0.608 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 146 | 174.7 | 178.1 | 0 | 0 | 0 | 0 | 114.5 | ||
| 202 | F | 28.3 | Very low | 34.8 | Very low | 199 Ų | 199 | 135.2 Ų | 135.2 | 87% | 0.873 | 76% | 0.764 | S | S | * | * | -161.8 | 152.9 | 125.3 | -80 | -63 | 0 | 0 | 0 | 111.3 | |||||
| 203 | P | 36.3 | Very low | 33.6 | Very low | 110 Ų | 110 | 134.8 Ų | 134.8 | 71% | 0.714 | 78% | 0.775 | S | S | * | * | trans | -113.5 | 166.5 | -157.1 | 39.9 | -30.4 | 0 | 0 | 0 | 117.6 | ||||
| 204 | S | 29.3 | Very low | 33.2 | Very low | 112 Ų | 112 | 131.7 Ų | 131.7 | 78% | 0.783 | 77% | 0.773 | S | S | * | * | trans | 94.7 | 155.7 | 151.5 | -155.6 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 205 | P | 39.9 | Very low | 33.2 | Very low | 105 Ų | 105 | 130.4 Ų | 130.4 | 68% | 0.682 | 78% | 0.779 | S | S | * | * | cis | -133.5 | 158.1 | -43.2 | 34.2 | -17.4 | 0 | 0 | 0 | 115.7 | ||||
| 206 | Q | 29.1 | Very low | 33.1 | Very low | 177 Ų | 177 | 129.4 Ų | 129.4 | 83% | 0.827 | 78% | 0.777 | S | S | * | * | trans | 56.5 | 123.8 | 143.9 | -66.6 | -167.3 | -10.1 | 0 | 0 | 124.7 | ||||
| 207 | L | 29.9 | Very low | 33.1 | Very low | 159 Ų | 159 | 130.1 Ų | 130.1 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | trans | 115.3 | 138.6 | 139.7 | -74.4 | 145.1 | 0 | 0 | 0 | 118.7 | ||||
| 208 | P | 49.9 | Very low | 33.5 | Very low | 109 Ų | 109 | 130.6 Ų | 130.6 | 71% | 0.708 | 79% | 0.785 | S | S | * | * | trans | -100.8 | 166.8 | -162.1 | 40.8 | -34.7 | 0 | 0 | 0 | 113.8 | ||||
| 209 | P | 39.1 | Very low | 33.6 | Very low | 113 Ų | 113 | 129.9 Ų | 129.9 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | trans | -142.3 | 133.1 | 141.2 | 25.9 | -4.9 | 0 | 0 | 0 | 116.2 | ||||
| 210 | T | 28.2 | Very low | 33.7 | Very low | 122 Ų | 122 | 133 Ų | 133 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | 25.6 | 121.5 | 129.8 | 34.2 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 211 | L | 32.9 | Very low | 33.8 | Very low | 158 Ų | 158 | 134.5 Ų | 134.5 | 83% | 0.827 | 79% | 0.791 | S | S | * | * | 48.7 | 121.1 | 129.3 | -69.8 | 170.4 | 0 | 0 | 0 | 122.3 | |||||
| 212 | S | 29.1 | Very low | 33.9 | Very low | 123 Ų | 123 | 134.4 Ų | 134.4 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | trans | 76.5 | 138.5 | 138.3 | 96.5 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 213 | G | 28.7 | Very low | 34 | Very low | 71 Ų | 71 | 129.1 Ų | 129.1 | 73% | 0.732 | 81% | 0.805 | S | S | * | * | trans | 159.5 | 95.7 | 165.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 214 | I | 35.4 | Very low | 33.8 | Very low | 155 Ų | 155 | 127.6 Ų | 127.6 | 80% | 0.795 | 81% | 0.81 | S | S | * | * | trans | -53.9 | 138.4 | 164.2 | -62.3 | 162.1 | 0 | 0 | 0 | 109.5 | S216 | I214-S216 PolarHBondContact O-N 3.41Š| ||
| 215 | P | 35.7 | Very low | 34.1 | Very low | 131 Ų | 131 | 127.2 Ų | 127.2 | 85% | 0.851 | 81% | 0.813 | S | S | * | * | trans | -75 | 98.4 | 170.8 | -12 | 27.8 | 0 | 0 | 0 | 110.7 | ||||
| 216 | S | 32.2 | Very low | 34.3 | Very low | 107 Ų | 107 | 127.8 Ų | 127.8 | 75% | 0.748 | 82% | 0.817 | S | S | * | * | trans | -70.2 | 136.7 | 161.4 | 45.6 | 0 | 0 | 0 | 0 | 110.7 | I214 | I214-S216 PolarHBondContact O-N 3.41Š| ||
| 217 | Q | 35 | Very low | 34.6 | Very low | 187 Ų | 187 | 126.3 Ų | 126.3 | 87% | 0.874 | 82% | 0.82 | S | S | * | * | trans | -52.7 | 140.9 | 173.7 | -67 | 176.4 | -62.1 | 0 | 0 | 112.3 | S219 | Q217-S219 PolarHBondContact O-N 3.2Š| ||
| 218 | P | 37.3 | Very low | 35 | Very low | 129 Ų | 129 | 128.5 Ų | 128.5 | 84% | 0.838 | 82% | 0.823 | S | S | * | * | trans | -82.9 | 112.6 | 169.7 | 30.1 | -28.9 | 0 | 0 | 0 | 111.1 | ||||
| 219 | S | 34.6 | Very low | 34.5 | Very low | 112 Ų | 112 | 127.9 Ų | 127.9 | 78% | 0.783 | 83% | 0.827 | S | S | * | * | trans | -67.7 | 127.2 | 151.5 | 162.3 | 0 | 0 | 0 | 0 | 109.3 | Q217 | Q217-S219 PolarHBondContact O-N 3.2Š| ||
| 220 | Q | 36.8 | Very low | 34.4 | Very low | 189 Ų | 189 | 128.8 Ų | 128.8 | 88% | 0.883 | 83% | 0.83 | S | S | * | * | trans | -149.4 | 116.9 | 155.1 | -81.4 | -154.2 | 2.7 | 0 | 0 | 111.4 | ||||
| 221 | N | 32.3 | Very low | 34.6 | Very low | 170 Ų | 170 | 127.3 Ų | 127.3 | 91% | 0.909 | 83% | 0.83 | S | S | * | * | trans | -89.7 | 134.7 | 155.2 | -90.5 | -32.8 | 0 | 0 | 0 | 108.5 | ||||
| 222 | G | 32.1 | Very low | 34.7 | Very low | 84 Ų | 84 | 127.8 Ų | 127.8 | 87% | 0.866 | 83% | 0.833 | S | S | * | * | trans | 112.5 | 89.1 | 139 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 223 | G | 30.4 | Very low | 35 | Very low | 88 Ų | 88 | 129.7 Ų | 129.7 | 91% | 0.907 | 83% | 0.826 | S | S | * | * | 119.6 | 100.2 | 129.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 224 | G | 32.7 | Very low | 35.3 | Very low | 79 Ų | 79 | 131.9 Ų | 131.9 | 81% | 0.814 | 83% | 0.83 | S | S | * | * | trans | 143 | 57.7 | 150.5 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 225 | A | 35.8 | Very low | 35.3 | Very low | 103 Ų | 103 | 131.7 Ų | 131.7 | 85% | 0.851 | 83% | 0.826 | S | S | * | * | trans | 59.2 | 158.9 | 147 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 226 | P | 44.2 | Very low | 35.3 | Very low | 118 Ų | 118 | 134.6 Ų | 134.6 | 77% | 0.766 | 83% | 0.825 | S | S | * | * | -119.2 | 153.5 | -116.5 | 37.7 | -24.2 | 0 | 0 | 0 | 114.9 | |||||
| 227 | T | 34.7 | Very low | 35.5 | Very low | 145 Ų | 145 | 134.5 Ų | 134.5 | 89% | 0.89 | 82% | 0.824 | S | S | * | * | trans | -141.2 | 126.7 | 154.1 | -36.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 228 | K | 38.9 | Very low | 35.4 | Very low | 205 Ų | 205 | 133.1 Ų | 133.1 | 89% | 0.891 | 82% | 0.822 | S | S | * | * | trans | -40.8 | 125 | -173 | -74 | 170.1 | 168.1 | 175.5 | 0 | 114.5 | ||||
| 229 | A | 37.8 | Very low | 35.1 | Very low | 97 Ų | 97 | 131.6 Ų | 131.6 | 80% | 0.802 | 82% | 0.815 | S | S | * | * | trans | -147.4 | 124 | 141.2 | 0 | 0 | 0 | 0 | 0 | 109 | A231 | A229-A231 PolarHBondContact O-N 3Š| ||
| 230 | V | 37.4 | Very low | 35.2 | Very low | 132 Ų | 132 | 132.5 Ų | 132.5 | 80% | 0.8 | 82% | 0.819 | S | S | * | * | trans | -70.9 | 119.2 | -171.4 | 174 | 0 | 0 | 0 | 0 | 109.9 | L232 | V230-L232 HydrophobicContact CG1-CG 4.31Š| ||
| 231 | A | 31.8 | Very low | 35.4 | Very low | 91 Ų | 91 | 128.5 Ų | 128.5 | 75% | 0.752 | 81% | 0.81 | S | S | * | * | trans | -91.1 | 118 | 163.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | A229 | A229-A231 PolarHBondContact O-N 3Š| ||
| 232 | L | 36.2 | Very low | 35.4 | Very low | 168 Ų | 168 | 127.9 Ų | 127.9 | 88% | 0.88 | 81% | 0.805 | S | S | * | * | trans | -101.2 | 93.9 | 157.4 | -74.2 | -178.9 | 0 | 0 | 0 | 109 | V230 | V230-L232 HydrophobicContact CG1-CG 4.31Š| ||
| 233 | F | 34.8 | Very low | 35.9 | Very low | 163 Ų | 163 | 135.2 Ų | 135.2 | 72% | 0.715 | 81% | 0.806 | S | S | * | * | trans | -32 | 134 | 150.7 | -175.4 | -103.9 | 0 | 0 | 0 | 113.6 | Q235 | F233-Q235 HydrophobicContact CD1-CG 4.18Å; F233-Q235 HydrophobicContact CE1-CG 3.29Å; F233-Q235 HydrophobicContact CE2-CG 4.28Å; F233-Q235 HydrophobicContact CZ-CG 3.36Å | ||
| 234 | S | 34.8 | Very low | 36.3 | Very low | 116 Ų | 116 | 139 Ų | 139 | 81% | 0.811 | 81% | 0.805 | S | S | * | * | trans | -154 | 148.2 | 138.4 | -164.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 235 | Q | 36.2 | Very low | 36.8 | Very low | 152 Ų | 152 | 143.2 Ų | 143.2 | 71% | 0.71 | 81% | 0.809 | S | S | * | * | trans | -82.6 | 162.4 | -148.9 | -70.6 | 171.6 | -53.9 | 0 | 0 | 115.3 | F233 | F233-Q235 HydrophobicContact CD1-CG 4.18Å; F233-Q235 HydrophobicContact CE1-CG 3.29Å; F233-Q235 HydrophobicContact CE2-CG 4.28Å; F233-Q235 HydrophobicContact CZ-CG 3.36Å | ||
| 236 | K | 35.8 | Very low | 36.8 | Very low | 192 Ų | 192 | 141.4 Ų | 141.4 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | trans | -66.1 | 145.7 | 164.5 | -68 | 152.5 | 176.8 | 176.3 | 0 | 111.1 | ||||
| 237 | S | 37.2 | Very low | 36.5 | Very low | 104 Ų | 104 | 140.1 Ų | 140.1 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | trans | 63.3 | 120.7 | 148.9 | 56.4 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 238 | L | 31.6 | Very low | 36.9 | Very low | 158 Ų | 158 | 141.6 Ų | 141.6 | 83% | 0.827 | 80% | 0.801 | S | S | * | * | -177.2 | 139.8 | 107.5 | -89.1 | 162.9 | 0 | 0 | 0 | 110.4 | |||||
| 239 | S | 31.2 | Very low | 37.1 | Very low | 98 Ų | 98 | 139.1 Ų | 139.1 | 69% | 0.685 | 80% | 0.796 | S | S | * | * | trans | 55.3 | 117.5 | 147.5 | 60.7 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 240 | C | 36 | Very low | 36.9 | Very low | 131 Ų | 131 | 137.8 Ų | 137.8 | 89% | 0.885 | 79% | 0.792 | S | S | * | * | trans | -52.2 | 135 | 146.1 | -41.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 241 | P | 41.6 | Very low | 37.1 | Very low | 104 Ų | 104 | 138 Ų | 138 | 68% | 0.675 | 79% | 0.788 | S | S | * | * | -151 | 170.5 | 102.8 | 37.8 | -20.2 | 0 | 0 | 0 | 115.1 | |||||
| 242 | I | 33.4 | Very low | 37.7 | Very low | 157 Ų | 157 | 139.2 Ų | 139.2 | 81% | 0.805 | 79% | 0.791 | S | S | * | * | trans | 88.2 | 123.6 | 157.1 | -73.6 | 157.4 | 0 | 0 | 0 | 117.7 | ||||
| 243 | R | 42.4 | Very low | 37.7 | Very low | 238 Ų | 238 | 134.5 Ų | 134.5 | 90% | 0.898 | 78% | 0.776 | S | S | * | * | trans | -61.4 | 131.9 | -177.8 | -53.4 | 171.5 | 77.8 | 179.4 | 3.3 | 109.8 | ||||
| 244 | L | 38.1 | Very low | 37.8 | Very low | 167 Ų | 167 | 132 Ų | 132 | 87% | 0.874 | 78% | 0.776 | S | S | * | * | trans | -133.1 | 124.8 | 147.4 | -120.3 | 103.8 | 0 | 0 | 0 | 108.8 | ||||
| 245 | D | 42 | Very low | 37.9 | Very low | 169 Ų | 169 | 134.4 Ų | 134.4 | 90% | 0.904 | 77% | 0.773 | S | S | * | * | trans | -45.2 | 133.2 | 161.2 | -117.7 | -32.7 | 0 | 0 | 0 | 110.5 | ||||
| 246 | G | 36.9 | Very low | 37.9 | Very low | 64 Ų | 64 | 136.3 Ų | 136.3 | 66% | 0.66 | 78% | 0.779 | S | S | * | * | trans | 164.8 | 71 | -178.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | L248 | G246-L248 PolarHBondContact O-N 2.9Š| ||
| 247 | A | 38.5 | Very low | 38.2 | Very low | 92 Ų | 92 | 137.1 Ų | 137.1 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | trans | -58.7 | 103.2 | 173 | 0 | 0 | 0 | 0 | 0 | 110.3 | I249 | A247-I249 PolarHBondContact O-N 2.86Š| ||
| 248 | L | 42.9 | Very low | 38 | Very low | 175 Ų | 175 | 136.3 Ų | 136.3 | 92% | 0.916 | 78% | 0.778 | S | S | * | * | trans | -79.2 | 99 | 157.8 | -72.9 | 174 | 0 | 0 | 0 | 107.1 | G246 G250 | G246-L248 PolarHBondContact O-N 2.9Å; L248-G250 VanDerWaalsContact C-N 3.33Å; L248-G250 PolarHBondContact O-N 2.78Å | ||
| 249 | I | 42.3 | Very low | 38.5 | Very low | 154 Ų | 154 | 136.5 Ų | 136.5 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | trans | -64.9 | 95.9 | 168.5 | -61.8 | 169.7 | 0 | 0 | 0 | 106.8 | A247 D251 | A247-I249 PolarHBondContact O-N 2.86Å; I249-D251 HydrophobicContact CG2-CB 4.47Å | ||
| 250 | G | 34.8 | Very low | 39 | Very low | 69 Ų | 69 | 135.6 Ų | 135.6 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | trans | -109.5 | 72.8 | 166.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | L248 S252 | L248-G250 VanDerWaalsContact C-N 3.33Å; L248-G250 PolarHBondContact O-N 2.78Å; G250-S252 VanDerWaalsContact C-N 3.31Å; G250-S252 PolarHBondContact O-N 3.36Å | ||
| 251 | D | 40 | Very low | 39.1 | Very low | 136 Ų | 136 | 140.2 Ų | 140.2 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | trans | -74.6 | 89.3 | 174.5 | -133.6 | -2.5 | 0 | 0 | 0 | 107.9 | I249 | I249-D251 HydrophobicContact CG2-CB 4.47Š| ||
| 252 | S | 44.4 | Very low | 38.6 | Very low | 117 Ų | 117 | 141.4 Ų | 141.4 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | -133.6 | 49.2 | 168.2 | -64.8 | 0 | 0 | 0 | 0 | 108.9 | G250 | G250-S252 VanDerWaalsContact C-N 3.31Å; G250-S252 PolarHBondContact O-N 3.36Å | ||
| 253 | A | 36.4 | Very low | 38.6 | Very low | 69 Ų | 69 | 140.6 Ų | 140.6 | 57% | 0.57 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 126.5 | 157.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | F255 | A253-F255 PolarHBondContact O-N 2.78Å; A253-F255 VanDerWaalsContact O-N 3.14Å |
| 254 | P | 37.3 | Very low | 38.3 | Very low | 110 Ų | 110 | 134.4 Ų | 134.4 | 71% | 0.714 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 119.9 | 173.7 | 24.1 | -30.3 | 0 | 0 | 0 | 109.4 | F256 | P254-F256 PolarHBondContact O-N 3.39Š|
| 255 | F | 36.9 | Very low | 38.1 | Very low | 167 Ų | 167 | 135.7 Ų | 135.7 | 73% | 0.732 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 118.5 | 171.8 | -113 | -98.3 | 0 | 0 | 0 | 109.2 | A253 Y257 | A253-F255 PolarHBondContact O-N 2.78Å; A253-F255 VanDerWaalsContact O-N 3.14Å; F255-Y257 HydrophobicContact CB-CE2 4.37Å |
| 256 | F | 36.2 | Very low | 37.5 | Very low | 191 Ų | 191 | 133.7 Ų | 133.7 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 116.8 | 164.7 | -73.2 | -86.4 | 0 | 0 | 0 | 108.5 | P254 | P254-F256 PolarHBondContact O-N 3.39Š|
| 257 | Y | 41.1 | Very low | 37 | Very low | 210 Ų | 210 | 138 Ų | 138 | 82% | 0.824 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 118.1 | 172.9 | -71.6 | -88.1 | 0 | 0 | 0 | 109.8 | F255 | F255-Y257 HydrophobicContact CB-CE2 4.37Š|
| 258 | A | 34.2 | Very low | 36.6 | Very low | 87 Ų | 87 | 139.2 Ų | 139.2 | 72% | 0.719 | 78% | 0.784 | S | S | * | * | trans | -110.6 | 117.2 | 159.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 259 | N | 41.5 | Very low | 36 | Very low | 161 Ų | 161 | 137.2 Ų | 137.2 | 86% | 0.861 | 77% | 0.774 | S | S | * | * | S | Bend | trans | 62.3 | 84.3 | 162.6 | -54.4 | -21.3 | 0 | 0 | 0 | 116.1 | R261 | N259-R261 PolarHBondContact O-N 3.47Å; N259-R261 VanDerWaalsContact O-N 3.15Å |
| 260 | G | 41.5 | Very low | 35.6 | Very low | 79 Ų | 79 | 137.4 Ų | 137.4 | 81% | 0.814 | 78% | 0.776 | S | S | * | * | trans | -48 | 108.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 261 | R | 38.7 | Very low | 35.3 | Very low | 229 Ų | 229 | 140.7 Ų | 140.7 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | trans | -141.7 | 139.7 | 146.4 | -72.5 | -167.2 | -168.9 | -95.5 | -1.4 | 110.1 | N259 | N259-R261 PolarHBondContact O-N 3.47Å; N259-R261 VanDerWaalsContact O-N 3.15Å | ||
| 262 | P | 32.2 | Very low | 35 | Very low | 128 Ų | 128 | 138.7 Ų | 138.7 | 83% | 0.831 | 78% | 0.779 | S | S | * | * | trans | -81.4 | 133.3 | 175 | 32 | -30.6 | 0 | 0 | 0 | 110.3 | ||||
| 263 | V | 31.8 | Very low | 34.5 | Very low | 140 Ų | 140 | 140.2 Ų | 140.2 | 85% | 0.848 | 78% | 0.778 | S | S | * | * | trans | -111 | 120.6 | 166.1 | 171.6 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 264 | S | 35.8 | Very low | 34 | Very low | 109 Ų | 109 | 140.5 Ų | 140.5 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | trans | -66.6 | 136.2 | 179.6 | -53 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 265 | Q | 34.3 | Very low | 33.8 | Very low | 193 Ų | 193 | 147.3 Ų | 147.3 | 90% | 0.902 | 80% | 0.799 | S | S | * | * | trans | -52.3 | 122.1 | 172 | -172.4 | 170.2 | 14.4 | 0 | 0 | 112.6 | ||||
| 266 | T | 30.3 | Very low | 33.6 | Very low | 128 Ų | 128 | 151.3 Ų | 151.3 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | trans | -130.2 | 120.7 | 159.1 | 52.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 267 | H | 26.3 | Very low | 33.1 | Very low | 154 Ų | 154 | 145.3 Ų | 145.3 | 71% | 0.713 | 80% | 0.802 | S | S | * | * | trans | -36.8 | 127.2 | 174.9 | -167.1 | -103.8 | 0 | 0 | 0 | 114 | D269 | H267-D269 IonicContact CE1-OD1 2.73Å; H267-D269 PolarHBondContact CE1-OD1 3.28Å; H267-D269 VanDerWaalsContact CE1-OD1 3.23Å; H267-D269 IonicContact CE1-OD2 3.66Å; H267-D269 PolarHBondContact CE1-OD2 3.42Å; H267-D269 IonicContact ND1-OD1 3.23Å; H267-D269 IonicContact ND1-OD2 3.38Å; H267-D269 PolarHBondContact ND1-OD2 3.24Å | ||
| 268 | T | 30.7 | Very low | 32.6 | Very low | 118 Ų | 118 | 143.5 Ų | 143.5 | 72% | 0.724 | 81% | 0.806 | S | S | * | * | trans | -94.4 | 110.8 | 173.6 | -53.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 269 | D | 29 | Very low | 32.3 | Very low | 133 Ų | 133 | 143.1 Ų | 143.1 | 71% | 0.711 | 81% | 0.81 | S | S | * | * | trans | -96 | 117.1 | 161.6 | -77.5 | -47.4 | 0 | 0 | 0 | 108.9 | H267 | H267-D269 IonicContact CE1-OD1 2.73Å; H267-D269 PolarHBondContact CE1-OD1 3.28Å; H267-D269 VanDerWaalsContact CE1-OD1 3.23Å; H267-D269 IonicContact CE1-OD2 3.66Å; H267-D269 PolarHBondContact CE1-OD2 3.42Å; H267-D269 IonicContact ND1-OD1 3.23Å; H267-D269 IonicContact ND1-OD2 3.38Å; H267-D269 PolarHBondContact ND1-OD2 3.24Å | ||
| 270 | L | 33.8 | Very low | 31.7 | Very low | 157 Ų | 157 | 143.6 Ų | 143.6 | 82% | 0.822 | 81% | 0.812 | S | S | * | * | trans | -67.4 | 127.7 | 169.2 | -74.6 | 96.2 | 0 | 0 | 0 | 109.5 | ||||
| 271 | T | 30 | Very low | 31.2 | Very low | 138 Ų | 138 | 146.5 Ų | 146.5 | 85% | 0.847 | 80% | 0.804 | S | S | * | * | trans | -145.2 | 138.7 | 138.4 | 76 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 272 | S | 32.3 | Very low | 30.9 | Very low | 94 Ų | 94 | 144.7 Ų | 144.7 | 66% | 0.657 | 81% | 0.806 | S | S | * | * | trans | -69 | 161.4 | 179.8 | 52.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 273 | N | 33.2 | Very low | 30.7 | Very low | 150 Ų | 150 | 144.2 Ų | 144.2 | 80% | 0.802 | 80% | 0.796 | S | S | * | * | trans | 145.9 | 124.4 | 130.9 | -63.6 | -14.3 | 0 | 0 | 0 | 112.7 | ||||
| 274 | G | 27.2 | Very low | 30.8 | Very low | 74 Ų | 74 | 143.6 Ų | 143.6 | 76% | 0.763 | 79% | 0.792 | S | S | * | * | 80 | 112.1 | 121 | 0 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 275 | W | 32.4 | Very low | 31.2 | Very low | 253 Ų | 253 | 144.2 Ų | 144.2 | 96% | 0.958 | 79% | 0.794 | S | S | * | * | trans | -71.3 | 159.4 | 162 | -73.4 | 50.3 | 0 | 0 | 0 | 112.1 | ||||
| 276 | R | 32.3 | Very low | 30.8 | Very low | 251 Ų | 251 | 138.6 Ų | 138.6 | 95% | 0.947 | 79% | 0.788 | S | S | * | * | trans | 93.5 | 140.2 | 179.7 | -55 | -155.5 | -131.8 | -78.3 | 5.2 | 114 | ||||
| 277 | G | 26.8 | Very low | 30.9 | Very low | 66 Ų | 66 | 138.1 Ų | 138.1 | 68% | 0.68 | 79% | 0.79 | S | S | * | * | cis | 177.5 | 153.2 | 1.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 278 | N | 29.6 | Very low | 31.2 | Very low | 172 Ų | 172 | 140.9 Ų | 140.9 | 92% | 0.92 | 80% | 0.8 | S | S | * | * | trans | 37.2 | 115.4 | 156.2 | -59.4 | -4.2 | 0 | 0 | 0 | 122 | ||||
| 279 | G | 28 | Very low | 31.1 | Very low | 78 Ų | 78 | 138.6 Ų | 138.6 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | 78.5 | 122.3 | 117.9 | 0 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 280 | L | 29.2 | Very low | 31.3 | Very low | 172 Ų | 172 | 141 Ų | 141 | 90% | 0.901 | 81% | 0.809 | S | S | * | * | -162.9 | 136.5 | 121 | -151.9 | 67 | 0 | 0 | 0 | 112.5 | |||||
| 281 | H | 31.4 | Very low | 31.2 | Very low | 140 Ų | 140 | 140 Ų | 140 | 65% | 0.648 | 81% | 0.809 | S | S | * | * | trans | -70.6 | 143.6 | 170.3 | -147.3 | -105.4 | 0 | 0 | 0 | 110.4 | D283 | H281-D283 IonicContact CE1-OD1 3.07Å; H281-D283 PolarHBondContact CE1-OD1 2.89Å; H281-D283 VanDerWaalsContact CE1-OD1 3.28Å; H281-D283 IonicContact CE1-OD2 3.18Å; H281-D283 PolarHBondContact CE1-OD2 2.9Å; H281-D283 IonicContact ND1-OD1 2.91Å; H281-D283 IonicContact ND1-OD2 3.65Å; H281-D283 PolarHBondContact ND1-OD2 3.35Å | ||
| 282 | Q | 32.2 | Very low | 31.3 | Very low | 191 Ų | 191 | 137 Ų | 137 | 89% | 0.893 | 81% | 0.806 | S | S | * | * | trans | -153.4 | 124.8 | 146.1 | -117.5 | 177.5 | 26.8 | 0 | 0 | 111.3 | ||||
| 283 | D | 28 | Very low | 31.4 | Very low | 117 Ų | 117 | 137 Ų | 137 | 63% | 0.626 | 81% | 0.811 | S | S | * | * | trans | -82.3 | 133.1 | -177.3 | -65.8 | -68.2 | 0 | 0 | 0 | 112.6 | H281 | H281-D283 IonicContact CE1-OD1 3.07Å; H281-D283 PolarHBondContact CE1-OD1 2.89Å; H281-D283 VanDerWaalsContact CE1-OD1 3.28Å; H281-D283 IonicContact CE1-OD2 3.18Å; H281-D283 PolarHBondContact CE1-OD2 2.9Å; H281-D283 IonicContact ND1-OD1 2.91Å; H281-D283 IonicContact ND1-OD2 3.65Å; H281-D283 PolarHBondContact ND1-OD2 3.35Å | ||
| 284 | V | 34.9 | Very low | 31.5 | Very low | 127 Ų | 127 | 136.9 Ų | 136.9 | 77% | 0.77 | 82% | 0.816 | S | S | * | * | 36.3 | 154 | 115.3 | -178.7 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 285 | P | 43.9 | Very low | 31.9 | Very low | 123 Ų | 123 | 145.1 Ų | 145.1 | 80% | 0.799 | 82% | 0.824 | S | S | * | * | cis | -139.2 | 170.9 | 13.7 | 17.7 | 9.9 | 0 | 0 | 0 | 118.6 | ||||
| 286 | G | 25.9 | Very low | 32.2 | Very low | 75 Ų | 75 | 141.8 Ų | 141.8 | 77% | 0.773 | 82% | 0.82 | S | S | * | * | trans | 178.6 | 88.6 | 158.2 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 287 | S | 31.9 | Very low | 32.4 | Very low | 118 Ų | 118 | 140.8 Ų | 140.8 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | trans | 59.6 | 94.3 | 140.9 | -149 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 288 | K | 33.2 | Very low | 33.2 | Very low | 212 Ų | 212 | 145.1 Ų | 145.1 | 92% | 0.922 | 82% | 0.823 | S | S | * | * | 46.5 | 116.3 | 116.1 | -151.9 | 172.4 | -171.8 | 177.8 | 0 | 121.7 | |||||
| 289 | G | 27.5 | Very low | 33.6 | Very low | 69 Ų | 69 | 141.1 Ų | 141.1 | 71% | 0.711 | 81% | 0.809 | S | S | * | * | trans | 158 | 98.3 | 142.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 290 | M | 34.6 | Very low | 34.5 | Very low | 185 Ų | 185 | 149.8 Ų | 149.8 | 91% | 0.911 | 82% | 0.817 | S | S | * | * | trans | 51.2 | 127.7 | 142.9 | -77.6 | 157.4 | 72.7 | 0 | 0 | 119.4 | ||||
| 291 | T | 31.4 | Very low | 35.3 | Very low | 134 Ų | 134 | 149.8 Ų | 149.8 | 82% | 0.822 | 81% | 0.81 | S | S | * | * | cis | -161.7 | 128 | 20.3 | 28.5 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 292 | G | 31.6 | Very low | 35.8 | Very low | 77 Ų | 77 | 149.7 Ų | 149.7 | 79% | 0.794 | 81% | 0.814 | S | S | * | * | trans | -116.1 | 125.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 293 | A | 34.5 | Very low | 36.6 | Very low | 93 Ų | 93 | 150.5 Ų | 150.5 | 77% | 0.769 | 82% | 0.815 | S | S | * | * | trans | 19.9 | 125.2 | 145.2 | 0 | 0 | 0 | 0 | 0 | 120.5 | R295 | A293-R295 PolarHBondContact O-N 3.37Å; A293-R295 VanDerWaalsContact O-N 3.12Å | ||
| 294 | T | 35.2 | Very low | 37.6 | Very low | 148 Ų | 148 | 154.2 Ų | 154.2 | 91% | 0.908 | 83% | 0.825 | S | S | * | * | trans | -38.6 | 105 | 156.9 | 18.9 | 0 | 0 | 0 | 0 | 113.5 | Q296 | T294-Q296 PolarHBondContact O-N 3.34Š| ||
| 295 | R | 34.8 | Very low | 38.1 | Very low | 246 Ų | 246 | 154.5 Ų | 154.5 | 93% | 0.928 | 82% | 0.823 | S | S | * | * | trans | -72.7 | 98.8 | 159.1 | -89 | -175 | 173 | -159.1 | -1.7 | 109.2 | A293 R297 | A293-R295 PolarHBondContact O-N 3.37Å; A293-R295 VanDerWaalsContact O-N 3.12Å; R295-R297 PolarHBondContact O-N 3.03Å; R295-R297 VanDerWaalsContact O-N 3.12Å | ||
| 296 | Q | 39.1 | Very low | 38.4 | Very low | 184 Ų | 184 | 157.5 Ų | 157.5 | 86% | 0.86 | 83% | 0.831 | S | S | * | * | trans | -74.1 | 97.9 | 167.9 | -160.9 | -169.6 | -16 | 0 | 0 | 108.8 | T294 N298 | T294-Q296 PolarHBondContact O-N 3.34Å; Q296-N298 PolarHBondContact O-N 3.47Å; Q296-N298 PolarHBondContact O-OD1 3.14Å | ||
| 297 | R | 36.1 | Very low | 39.4 | Very low | 229 Ų | 229 | 156.4 Ų | 156.4 | 86% | 0.864 | 82% | 0.819 | S | S | * | * | trans | -72.8 | 106.7 | 177.4 | -172.2 | -176.5 | -117.1 | -166.6 | -1 | 109.9 | R295 S299 | R295-R297 PolarHBondContact O-N 3.03Å; R295-R297 VanDerWaalsContact O-N 3.12Å; R297-S299 PolarHBondContact O-N 3.05Å | ||
| 298 | N | 45.2 | Very low | 40.5 | Very low | 158 Ų | 158 | 160.3 Ų | 160.3 | 85% | 0.845 | 82% | 0.816 | S | S | * | * | trans | -68.3 | 89.9 | 168.1 | 20.9 | -9.6 | 0 | 0 | 0 | 109.9 | Q296 W300 | Q296-N298 PolarHBondContact O-N 3.47Å; Q296-N298 PolarHBondContact O-OD1 3.14Å; N298-W300 PolarHBondContact O-N 2.86Å | ||
| 299 | S | 38.1 | Very low | 41.9 | Very low | 87 Ų | 87 | 156.9 Ų | 156.9 | 61% | 0.608 | 80% | 0.801 | S | S | * | * | trans | -84.8 | 102.6 | 170.9 | 170.2 | 0 | 0 | 0 | 0 | 110 | R297 K301 | R297-S299 PolarHBondContact O-N 3.05Å; S299-K301 PolarHBondContact O-N 3.16Å | ||
| 300 | W | 45.1 | Very low | 43.3 | Very low | 260 Ų | 260 | 159.2 Ų | 159.2 | 99% | 0.985 | 80% | 0.802 | S | S | * | * | trans | -72.4 | 42.7 | -179.7 | -120.3 | -21.7 | 0 | 0 | 0 | 114.1 | N298 | N298-W300 PolarHBondContact O-N 2.86Š| ||
| 301 | K | 46.9 | Very low | 44.6 | Very low | 172 Ų | 172 | 152.8 Ų | 152.8 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | trans | -121.5 | 55.3 | -169.8 | -55.9 | -78.8 | -170.7 | -170.7 | 0 | 112.6 | S299 | S299-K301 PolarHBondContact O-N 3.16Š| ||
| 302 | D | 42.9 | Very low | 46.5 | Very low | 139 Ų | 139 | 154.2 Ų | 154.2 | 74% | 0.743 | 77% | 0.765 | S | S | * | * | trans | -136.8 | 70.9 | 168.1 | -82.9 | -46.1 | 0 | 0 | 0 | 110.9 | K304 | D302-K304 VanDerWaalsContact C-N 3.32Å; D302-K304 PolarHBondContact O-N 3.37Å | ||
| 303 | K | 49 | Very low | 48 | Very low | 208 Ų | 208 | 154.8 Ų | 154.8 | 90% | 0.904 | 75% | 0.753 | S | S | * | * | trans | -89 | 17.9 | -175.4 | -145.5 | 167.8 | -176.3 | 175.9 | 0 | 113.8 | ||||
| 304 | K | 48 | Very low | 49.6 | Very low | 194 Ų | 194 | 154.5 Ų | 154.5 | 84% | 0.843 | 74% | 0.738 | S | S | * | * | trans | -143.4 | 19.8 | -171.9 | -58.4 | -168.2 | -177.2 | -174 | 0 | 117.2 | D302 | D302-K304 VanDerWaalsContact C-N 3.32Å; D302-K304 PolarHBondContact O-N 3.37Å | ||
| 305 | N | 44.7 | Very low | 51.1 | Low | 134 Ų | 134 | 155.8 Ų | 155.8 | 72% | 0.717 | 74% | 0.74 | S | S | * | * | trans | -114.6 | 76.1 | 173.8 | -70.6 | -32.3 | 0 | 0 | 0 | 111.2 | G307 | N305-G307 PolarHBondContact O-N 2.84Š| ||
| 306 | L | 51.1 | Low | 52.4 | Low | 186 Ų | 186 | 149.4 Ų | 149.4 | 97% | 0.974 | 73% | 0.733 | S | S | * | * | trans | -72.6 | 41.8 | 149.9 | -68.7 | 172.4 | 0 | 0 | 0 | 109.8 | R308 | L306-R308 PolarHBondContact O-N 3.47Š| ||
| 307 | G | 47.4 | Very low | 53.7 | Low | 51 Ų | 51 | 145 Ų | 145 | 53% | 0.526 | 71% | 0.708 | S | S | . | * | trans | -76.1 | 104.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | N305 K309 | N305-G307 PolarHBondContact O-N 2.84Å; G307-K309 PolarHBondContact O-N 3.38Å; G307-K309 VanDerWaalsContact O-N 3.13Å | ||
| 308 | R | 54.3 | Low | 55.8 | Low | 201 Ų | 201 | 137.2 Ų | 137.2 | 76% | 0.758 | 69% | 0.689 | S | S | * | * | trans | 2.5 | 97.6 | 164.6 | -61.6 | 178.7 | -175.5 | -162.1 | 0.9 | 113.3 | L306 V310 | L306-R308 PolarHBondContact O-N 3.47Å; R308-V310 PolarHBondContact O-N 3.14Å | ||
| 309 | K | 62 | Low | 57.3 | Low | 139 Ų | 139 | 135.3 Ų | 135.3 | 60% | 0.604 | 68% | 0.683 | S | S | * | * | trans | -71.8 | 97.5 | 171.5 | -77.7 | 167.3 | 162.8 | -174 | 0 | 108.2 | G307 I329 | G307-K309 PolarHBondContact O-N 3.38Å; G307-K309 VanDerWaalsContact O-N 3.13Å; K309-I329 HydrophobicContact CB-CG2 3.83Å; K309-I329 HydrophobicContact CD-CG2 3.69Å; K309-I329 HydrophobicContact CG-CG2 4.07Å; K309-I329 PolarHBondContact NZ-O 3.04Å | ||
| 310 | V | 57.6 | Low | 59.3 | Low | 119 Ų | 119 | 133.9 Ų | 133.9 | 72% | 0.721 | 68% | 0.677 | S | S | * | * | trans | -89.3 | 126.2 | 176.6 | 178.6 | 0 | 0 | 0 | 0 | 109 | R308 | R308-V310 PolarHBondContact O-N 3.14Š| ||
| 311 | I | 62.5 | Low | 61 | Low | 49 Ų | 49 | 125 Ų | 125 | 25% | 0.251 | 65% | 0.646 | S | S | . | * | trans | -96.7 | 111.1 | 175.2 | -56.2 | 170 | 0 | 0 | 0 | 106.9 | V313 A326 I329 | I311-V313 HydrophobicContact CG2-CG2 4.18Å; I311-A326 HydrophobicContact CD1-CB 3.45Å; I311-A326 VanDerWaalsContact CD1-CB 3.45Å; I311-I329 HydrophobicContact CG1-CD1 4.12Å | ||
| 312 | K | 70.4 | Confident | 62.6 | Low | 164 Ų | 164 | 117.6 Ų | 117.6 | 71% | 0.713 | 62% | 0.617 | S | S | * | * | trans | -77 | 122.1 | 167.1 | -66.5 | -174.5 | 177.1 | -174.7 | 0 | 108.3 | ||||
| 313 | V | 64 | Low | 64.2 | Low | 89 Ų | 89 | 113.4 Ų | 113.4 | 54% | 0.539 | 60% | 0.598 | S | S | . | * | trans | -107 | 118.4 | 172 | -177.2 | 0 | 0 | 0 | 0 | 105.6 | I311 A322 | I311-V313 HydrophobicContact CG2-CG2 4.18Å; V313-A322 HydrophobicContact CG1-CB 4.38Å; V313-A322 HydrophobicContact CG2-CB 4.39Å | ||
| 314 | D | 67.4 | Low | 65.8 | Low | 87 Ų | 87 | 111 Ų | 111 | 47% | 0.465 | 58% | 0.583 | S | S | . | * | trans | -94.5 | 145.1 | 172.1 | -54.8 | -47 | 0 | 0 | 0 | 107.5 | S316 R317 | D314-S316 PolarHBondContact O-N 3.13Å; D314-R317 PolarHBondContact O-N 3.21Å | ||
| 315 | D | 65.9 | Low | 67.4 | Low | 176 Ų | 176 | 105.3 Ų | 105.3 | 94% | 0.941 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.4 | -10.3 | -175.7 | -59.7 | -34.2 | 0 | 0 | 0 | 114 | ||
| 316 | S | 62 | Low | 69.1 | Low | 111 Ų | 111 | 99.5 Ų | 99.5 | 78% | 0.776 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -7.3 | 176.6 | 55.1 | 0 | 0 | 0 | 0 | 114.5 | D314 | D314-S316 PolarHBondContact O-N 3.13Š|
| 317 | R | 68.2 | Low | 70.7 | Confident | 92 Ų | 92 | 93.4 Ų | 93.4 | 35% | 0.347 | 50% | 0.495 | S | S | . | . | S | Bend | trans | -99.7 | 136.2 | -178.7 | -67.4 | -173 | -174.3 | -120.1 | -2.9 | 111.9 | D314 E321 | D314-R317 PolarHBondContact O-N 3.21Å; R317-E321 IonicContact CZ-OE1 2.75Å; R317-E321 IonicContact NH1-OE1 2.74Å; R317-E321 PolarHBondContact NH1-OE1 2.78Å |
| 318 | S | 79.2 | Confident | 72.4 | Confident | 65 Ų | 65 | 99.4 Ų | 99.4 | 46% | 0.455 | 51% | 0.507 | S | S | . | . | trans | -62.6 | 145.1 | 172.3 | 68.1 | 0 | 0 | 0 | 0 | 111.6 | A320 E321 A322 | S318-A320 PolarHBondContact O-N 3.45Å; S318-E321 PolarHBondContact O-N 3.38Å; S318-E321 WeakPolarHBondContact OG-CB 3.39Å; S318-E321 PolarHBondContact OG-N 3.42Å; S318-A322 PolarHBondContact O-N 2.82Å | ||
| 319 | V | 77 | Confident | 73.7 | Confident | 118 Ų | 118 | 92.2 Ų | 92.2 | 72% | 0.715 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -54.5 | -40.6 | 177.1 | 176.5 | 0 | 0 | 0 | 0 | 111.1 | E321 A322 C323 | V319-E321 PolarHBondContact O-N 2.96Å; V319-A322 PolarHBondContact O-N 3.33Å; V319-C323 WeakPolarHBondContact O-CB 3.49Å; V319-C323 PolarHBondContact O-N 3.14Å; V319-C323 PolarHBondContact O-SG 3Å; V319-C323 VanDerWaalsContact O-SG 3.35Å |
| 320 | A | 79.8 | Confident | 74.4 | Confident | 58 Ų | 58 | 89.7 Ų | 89.7 | 48% | 0.479 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.5 | -40.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | S318 R324 | S318-A320 PolarHBondContact O-N 3.45Å; A320-R324 WeakPolarHBondContact O-CG 3.11Å; A320-R324 PolarHBondContact O-N 3.28Å |
| 321 | E | 81.8 | Confident | 75.5 | Confident | 73 Ų | 73 | 92 Ų | 92 | 34% | 0.341 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -68.7 | -41.6 | 176 | -166.2 | -162.2 | 142.1 | 0 | 0 | 112 | R317 S318 V319 C323 R324 K325 | R317-E321 IonicContact CZ-OE1 2.75Å; R317-E321 IonicContact NH1-OE1 2.74Å; R317-E321 PolarHBondContact NH1-OE1 2.78Å; S318-E321 PolarHBondContact O-N 3.38Å; S318-E321 WeakPolarHBondContact OG-CB 3.39Å; S318-E321 PolarHBondContact OG-N 3.42Å; V319-E321 PolarHBondContact O-N 2.96Å; E321-C323 VanDerWaalsContact C-N 3.33Å; E321-C323 PolarHBondContact O-N 3.04Å; E321-R324 PolarHBondContact O-N 3.07Å; E321-K325 WeakPolarHBondContact O-CB 3.42Å; E321-K325 PolarHBondContact O-N 3.06Å |
| 322 | A | 79.8 | Confident | 76.1 | Confident | 17 Ų | 17 | 91.8 Ų | 91.8 | 14% | 0.14 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -60.2 | -43.5 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | V313 S318 V319 K325 A326 | V313-A322 HydrophobicContact CG1-CB 4.38Å; V313-A322 HydrophobicContact CG2-CB 4.39Å; S318-A322 PolarHBondContact O-N 2.82Å; V319-A322 PolarHBondContact O-N 3.33Å; A322-K325 PolarHBondContact O-N 2.95Å; A322-A326 WeakPolarHBondContact O-CB 3.38Å; A322-A326 PolarHBondContact O-N 3.32Å |
| 323 | C | 76.1 | Confident | 76.5 | Confident | 50 Ų | 50 | 88.2 Ų | 88.2 | 34% | 0.338 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.6 | -47.5 | 175.1 | -73.7 | 0 | 0 | 0 | 0 | 112.2 | V319 E321 K325 A326 Q327 | V319-C323 WeakPolarHBondContact O-CB 3.49Å; V319-C323 PolarHBondContact O-N 3.14Å; V319-C323 PolarHBondContact O-SG 3Å; V319-C323 VanDerWaalsContact O-SG 3.35Å; E321-C323 VanDerWaalsContact C-N 3.33Å; E321-C323 PolarHBondContact O-N 3.04Å; C323-K325 VanDerWaalsContact C-N 3.32Å; C323-K325 PolarHBondContact O-N 3.03Å; C323-A326 WeakPolarHBondContact O-CB 3.48Å; C323-A326 PolarHBondContact O-N 2.96Å; C323-A326 VanDerWaalsContact O-N 3.14Å; C323-Q327 WeakPolarHBondContact O-CG 3.34Å; C323-Q327 PolarHBondContact O-N 3.29Å |
| 324 | R | 82.4 | Confident | 77.2 | Confident | 157 Ų | 157 | 86.3 Ų | 86.3 | 59% | 0.592 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -59.7 | -41.7 | 176.6 | -74.1 | -175.3 | -68.5 | -144.9 | 1.5 | 112.3 | A320 E321 Q327 K328 | A320-R324 WeakPolarHBondContact O-CG 3.11Å; A320-R324 PolarHBondContact O-N 3.28Å; E321-R324 PolarHBondContact O-N 3.07Å; R324-Q327 PolarHBondContact O-N 2.98Å; R324-K328 PolarHBondContact O-N 3.42Å; R324-K328 VanDerWaalsContact O-N 3.07Å |
| 325 | K | 82.4 | Confident | 77.7 | Confident | 76 Ų | 76 | 85.4 Ų | 85.4 | 33% | 0.33 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -64.1 | -41.9 | 175.7 | -172.3 | 178.8 | -179.9 | -176 | 0 | 111.2 | E321 A322 C323 K328 I329 | E321-K325 WeakPolarHBondContact O-CB 3.42Å; E321-K325 PolarHBondContact O-N 3.06Å; A322-K325 PolarHBondContact O-N 2.95Å; C323-K325 VanDerWaalsContact C-N 3.32Å; C323-K325 PolarHBondContact O-N 3.03Å; K325-K328 PolarHBondContact O-N 3.07Å; K325-I329 HydrophobicContact CG-CD1 3.89Å; K325-I329 WeakPolarHBondContact O-CB 3.31Å; K325-I329 VanDerWaalsContact O-CG1 3.26Å; K325-I329 WeakPolarHBondContact O-CG1 3.41Å; K325-I329 PolarHBondContact O-N 3.15Å; K325-I329 VanDerWaalsContact O-N 3.07Å |
| 326 | A | 79.6 | Confident | 78.3 | Confident | 12 Ų | 12 | 80.9 Ų | 80.9 | 10% | 0.099 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -63.4 | -46.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | I311 A322 C323 K328 I329 L330 L334 | I311-A326 HydrophobicContact CD1-CB 3.45Å; I311-A326 VanDerWaalsContact CD1-CB 3.45Å; A322-A326 WeakPolarHBondContact O-CB 3.38Å; A322-A326 PolarHBondContact O-N 3.32Å; C323-A326 WeakPolarHBondContact O-CB 3.48Å; C323-A326 PolarHBondContact O-N 2.96Å; C323-A326 VanDerWaalsContact O-N 3.14Å; A326-K328 VanDerWaalsContact C-N 3.32Å; A326-K328 PolarHBondContact O-N 3.42Å; A326-I329 PolarHBondContact O-N 2.99Å; A326-I329 VanDerWaalsContact O-N 3.16Å; A326-L330 VanDerWaalsContact O-CB 3.29Å; A326-L330 WeakPolarHBondContact O-CB 3.37Å; A326-L330 WeakPolarHBondContact O-CG 3.36Å; A326-L330 PolarHBondContact O-N 2.73Å; A326-L334 HydrophobicContact CB-CD1 3.61Å |
| 327 | Q | 83.9 | Confident | 79.2 | Confident | 57 Ų | 57 | 78.2 Ų | 78.2 | 27% | 0.266 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -54.7 | -46.8 | 174.7 | -72.2 | 176.3 | -10.7 | 0 | 0 | 111.4 | C323 R324 I329 Q331 V332 L334 | C323-Q327 WeakPolarHBondContact O-CG 3.34Å; C323-Q327 PolarHBondContact O-N 3.29Å; R324-Q327 PolarHBondContact O-N 2.98Å; Q327-I329 PolarHBondContact O-N 2.9Å; Q327-Q331 WeakPolarHBondContact O-CA 3.42Å; Q327-Q331 PolarHBondContact O-N 3.39Å; Q327-V332 WeakPolarHBondContact CA-O 3.29Å; Q327-V332 WeakPolarHBondContact CB-O 3.46Å; Q327-V332 WeakPolarHBondContact CG-O 3.38Å; Q327-L334 HydrophobicContact CG-CB 3.63Å; Q327-L334 HydrophobicContact CG-CD1 3.87Å; Q327-L334 HydrophobicContact CG-CG 3.62Å |
| 328 | K | 84.7 | Confident | 79.9 | Confident | 178 Ų | 178 | 75.9 Ų | 75.9 | 77% | 0.774 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -63.4 | -38.8 | 178.6 | -173 | 173.9 | -177.6 | 174.7 | 0 | 113.1 | R324 K325 A326 | R324-K328 PolarHBondContact O-N 3.42Å; R324-K328 VanDerWaalsContact O-N 3.07Å; K325-K328 PolarHBondContact O-N 3.07Å; A326-K328 VanDerWaalsContact C-N 3.32Å; A326-K328 PolarHBondContact O-N 3.42Å |
| 329 | I | 80.3 | Confident | 80.1 | Confident | 49 Ų | 49 | 77.3 Ų | 77.3 | 25% | 0.251 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -76.5 | -41.8 | -177.1 | -71.6 | 170.6 | 0 | 0 | 0 | 111.6 | K309 I311 K325 A326 Q327 | K309-I329 HydrophobicContact CB-CG2 3.83Å; K309-I329 HydrophobicContact CD-CG2 3.69Å; K309-I329 HydrophobicContact CG-CG2 4.07Å; K309-I329 PolarHBondContact NZ-O 3.04Å; I311-I329 HydrophobicContact CG1-CD1 4.12Å; K325-I329 HydrophobicContact CG-CD1 3.89Å; K325-I329 WeakPolarHBondContact O-CB 3.31Å; K325-I329 VanDerWaalsContact O-CG1 3.26Å; K325-I329 WeakPolarHBondContact O-CG1 3.41Å; K325-I329 PolarHBondContact O-N 3.15Å; K325-I329 VanDerWaalsContact O-N 3.07Å; A326-I329 PolarHBondContact O-N 2.99Å; A326-I329 VanDerWaalsContact O-N 3.16Å; Q327-I329 PolarHBondContact O-N 2.9Å |
| 330 | L | 77.7 | Confident | 80.4 | Confident | 86 Ų | 86 | 75.3 Ų | 75.3 | 45% | 0.45 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -87.8 | -16.3 | -176.5 | -62.3 | 177.2 | 0 | 0 | 0 | 112.7 | A326 V332 | A326-L330 VanDerWaalsContact O-CB 3.29Å; A326-L330 WeakPolarHBondContact O-CB 3.37Å; A326-L330 WeakPolarHBondContact O-CG 3.36Å; A326-L330 PolarHBondContact O-N 2.73Å; L330-V332 HydrophobicContact CB-CG1 4.5Å; L330-V332 HydrophobicContact CB-CG2 3.8Å; L330-V332 HydrophobicContact CD1-CG2 4.41Å; L330-V332 PolarHBondContact O-N 3.47Å |
| 331 | Q | 80.2 | Confident | 80.2 | Confident | 169 Ų | 169 | 76.2 Ų | 76.2 | 79% | 0.79 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 37 | -174.5 | -57.5 | 178.9 | 13.4 | 0 | 0 | 112.5 | Q327 | Q327-Q331 WeakPolarHBondContact O-CA 3.42Å; Q327-Q331 PolarHBondContact O-N 3.39Å |
| 332 | V | 75.1 | Confident | 79.6 | Confident | 44 Ų | 44 | 77.3 Ų | 77.3 | 27% | 0.267 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -120.1 | 153.6 | 175.6 | -59.4 | 0 | 0 | 0 | 0 | 109.7 | Y81 Q327 L330 L334 | Y81-V332 HydrophobicContact CD1-CG1 4.34Å; Y81-V332 HydrophobicContact CE1-CB 4.23Å; Y81-V332 HydrophobicContact CE1-CG1 4.39Å; Y81-V332 HydrophobicContact CE2-CB 4.32Å; Q327-V332 WeakPolarHBondContact CA-O 3.29Å; Q327-V332 WeakPolarHBondContact CB-O 3.46Å; Q327-V332 WeakPolarHBondContact CG-O 3.38Å; L330-V332 HydrophobicContact CB-CG1 4.5Å; L330-V332 HydrophobicContact CB-CG2 3.8Å; L330-V332 HydrophobicContact CD1-CG2 4.41Å; L330-V332 PolarHBondContact O-N 3.47Å; V332-L334 HydrophobicContact CG2-CD2 3.68Å; V332-L334 HydrophobicContact CG2-CG 4.03Å |
| 333 | N | 79.9 | Confident | 78.9 | Confident | 88 Ų | 88 | 79.5 Ų | 79.5 | 47% | 0.471 | 41% | 0.409 | S | S | . | . | trans | -77.9 | 129.5 | 168.6 | -168.5 | -10 | 0 | 0 | 0 | 108.4 | Y81 S335 | Y81-N333 WeakPolarHBondContact CE2-O 3.5Å; Y81-N333 VanDerWaalsContact CZ-O 3.24Å; Y81-N333 PolarHBondContact OH-O 3.24Å; N333-S335 VanDerWaalsContact OD1-CB 3.31Å; N333-S335 WeakPolarHBondContact OD1-CB 3.21Å; N333-S335 PolarHBondContact OD1-N 3.21Å; N333-S335 PolarHBondContact OD1-OG 3.12Å | ||
| 334 | L | 78.6 | Confident | 78 | Confident | 50 Ų | 50 | 84.2 Ų | 84.2 | 26% | 0.262 | 43% | 0.431 | S | S | . | . | trans | -110.5 | 16.6 | 175.9 | -62.2 | 177.8 | 0 | 0 | 0 | 111.8 | A326 Q327 V332 | A326-L334 HydrophobicContact CB-CD1 3.61Å; Q327-L334 HydrophobicContact CG-CB 3.63Å; Q327-L334 HydrophobicContact CG-CD1 3.87Å; Q327-L334 HydrophobicContact CG-CG 3.62Å; V332-L334 HydrophobicContact CG2-CD2 3.68Å; V332-L334 HydrophobicContact CG2-CG 4.03Å | ||
| 335 | S | 78.1 | Confident | 76.3 | Confident | 67 Ų | 67 | 82.9 Ų | 82.9 | 47% | 0.469 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -58 | 144.3 | 167.7 | -66.6 | 0 | 0 | 0 | 0 | 110.2 | N333 V337 | N333-S335 VanDerWaalsContact OD1-CB 3.31Å; N333-S335 WeakPolarHBondContact OD1-CB 3.21Å; N333-S335 PolarHBondContact OD1-N 3.21Å; N333-S335 PolarHBondContact OD1-OG 3.12Å; S335-V337 PolarHBondContact O-N 3.38Å |
| 336 | P | 78.1 | Confident | 74.5 | Confident | 81 Ų | 81 | 82.4 Ų | 82.4 | 53% | 0.526 | 44% | 0.441 | S | S | . | . | trans | -59.6 | 135.1 | 177.4 | 25.3 | -32.9 | 0 | 0 | 0 | 109.9 | L58 I74 | L58-P336 HydrophobicContact CD2-CG 4.27Å; I74-P336 HydrophobicContact CG2-CB 4.44Å | ||
| 337 | V | 80.1 | Confident | 73 | Confident | 56 Ų | 56 | 87.8 Ų | 87.8 | 34% | 0.339 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 124 | 174.5 | -179.6 | 0 | 0 | 0 | 0 | 107.4 | L75 V80 S335 | L75-V337 HydrophobicContact CB-CB 4.36Å; L75-V337 HydrophobicContact CD1-CG1 4.02Å; L75-V337 PolarHBondContact N-O 2.89Å; V80-V337 HydrophobicContact CG1-CG2 4.16Å; V80-V337 HydrophobicContact CG2-CB 3.84Å; V80-V337 HydrophobicContact CG2-CG1 4.29Å; V80-V337 HydrophobicContact CG2-CG2 3.89Å; S335-V337 PolarHBondContact O-N 3.38Å |
| 338 | I | 83.4 | Confident | 71.1 | Confident | 42 Ų | 42 | 94.9 Ų | 94.9 | 22% | 0.215 | 49% | 0.492 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 119.9 | -178.3 | -53.4 | 166.2 | 0 | 0 | 0 | 107.7 | L52 L58 F61 L62 P72 I340 | L52-I338 HydrophobicContact CD1-CD1 4.49Å; L58-I338 HydrophobicContact CD1-CD1 3.53Å; L58-I338 HydrophobicContact CD1-CG1 4.46Å; F61-I338 HydrophobicContact CD1-CD1 4.12Å; F61-I338 HydrophobicContact CE1-CD1 3.98Å; L62-I338 HydrophobicContact CD2-CD1 4.05Å; L62-I338 HydrophobicContact CD2-CG1 4.42Å; L62-I338 HydrophobicContact CD2-CG2 3.92Å; P72-I338 HydrophobicContact CB-CG2 3.82Å; I338-I340 HydrophobicContact CG2-CG1 4.13Å |
| 339 | Q | 82.3 | Confident | 68.9 | Low | 95 Ų | 95 | 92.5 Ų | 92.5 | 44% | 0.444 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 115.4 | 167.7 | -176.4 | 178.2 | 7.2 | 0 | 0 | 108.3 | P72 T73 L75 | P72-Q339 CarbonylContact C-O 3.57Å; P72-Q339 WeakPolarHBondContact CA-O 3.2Å; T73-Q339 PolarHBondContact N-O 3.28Å; T73-Q339 PolarHBondContact O-N 2.98Å; L75-Q339 HydrophobicContact CD1-CB 4.18Å; L75-Q339 HydrophobicContact CD2-CB 4.1Å; L75-Q339 HydrophobicContact CG-CB 4.05Å |
| 340 | I | 83.5 | Confident | 67.3 | Low | 76 Ų | 76 | 98.4 Ų | 98.4 | 39% | 0.39 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 113.9 | 174.5 | -54.3 | 176.8 | 0 | 0 | 0 | 107.2 | L65 H70 I338 | L65-I340 HydrophobicContact CD1-CD1 3.64Å; L65-I340 HydrophobicContact CD1-CG1 3.96Å; L65-I340 HydrophobicContact CD2-CD1 4.15Å; H70-I340 HydrophobicContact CB-CG2 3.77Å; I338-I340 HydrophobicContact CG2-CG1 4.13Å |
| 341 | Q | 76.6 | Confident | 65.6 | Low | 78 Ų | 78 | 103.5 Ų | 103.5 | 36% | 0.364 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 128.4 | 170.8 | -66.1 | -177.3 | 3.1 | 0 | 0 | 108.7 | H70 R71 | H70-Q341 PolarHBondContact ND1-O 3.23Å; R71-Q341 HydrophobicContact CB-CB 4.24Å; R71-Q341 PolarHBondContact O-N 3.45Å |
| 342 | P | 69.8 | Low | 63.8 | Low | 95 Ų | 95 | 104.5 Ų | 104.5 | 62% | 0.617 | 53% | 0.527 | S | S | * | . | trans | -61.6 | 145.9 | 174.3 | 26.5 | -32.4 | 0 | 0 | 0 | 109.1 | N344 | P342-N344 PolarHBondContact O-N 3.18Š| ||
| 343 | L | 64.9 | Low | 62.2 | Low | 64 Ų | 64 | 111.2 Ų | 111.2 | 34% | 0.335 | 56% | 0.556 | S | S | . | * | trans | -56.3 | 106.6 | 165.8 | -81.3 | 142.7 | 0 | 0 | 0 | 107.5 | E68 G69 H345 | E68-L343 VanDerWaalsContact O-CD1 3.24Å; E68-L343 WeakPolarHBondContact O-CD1 3.44Å; G69-L343 WeakPolarHBondContact O-CD2 3.39Å; G69-L343 WeakPolarHBondContact O-CG 3.37Å; L343-H345 PolarHBondContact O-N 3.12Å | ||
| 344 | N | 55.8 | Low | 60.4 | Low | 148 Ų | 148 | 116.9 Ų | 116.9 | 79% | 0.791 | 58% | 0.576 | S | S | * | * | trans | -66.9 | 84 | 156.2 | -70.3 | -60.7 | 0 | 0 | 0 | 104.8 | P342 A346 | P342-N344 PolarHBondContact O-N 3.18Å; N344-A346 PolarHBondContact O-N 3.28Å | ||
| 345 | H | 46.9 | Very low | 58.4 | Low | 129 Ų | 129 | 127.6 Ų | 127.6 | 60% | 0.597 | 63% | 0.625 | S | S | * | * | trans | -48.4 | 132.8 | 162.5 | -68.8 | -76.9 | 0 | 0 | 0 | 105.9 | L343 L347 | L343-H345 PolarHBondContact O-N 3.12Å; H345-L347 HydrophobicContact CB-CB 4.46Å; H345-L347 HydrophobicContact CB-CD1 4.09Å; H345-L347 HydrophobicContact CB-CG 4.02Å; H345-L347 PolarHBondContact O-N 3.07Å | ||
| 346 | A | 45.2 | Very low | 57.4 | Low | 66 Ų | 66 | 130.6 Ų | 130.6 | 55% | 0.545 | 63% | 0.633 | S | S | . | * | S | Bend | trans | -61.3 | 41.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | N344 F350 | N344-A346 PolarHBondContact O-N 3.28Å; A346-F350 VanDerWaalsContact O-CD2 3.3Å; A346-F350 WeakPolarHBondContact O-CD2 3.26Å; A346-F350 WeakPolarHBondContact O-CE2 3.49Å |
| 347 | L | 49.1 | Very low | 56.4 | Low | 126 Ų | 126 | 133.2 Ų | 133.2 | 66% | 0.66 | 64% | 0.638 | S | S | * | * | trans | -96.8 | 7.2 | 174.5 | -67.9 | 177.3 | 0 | 0 | 0 | 112.2 | H345 | H345-L347 HydrophobicContact CB-CB 4.46Å; H345-L347 HydrophobicContact CB-CD1 4.09Å; H345-L347 HydrophobicContact CB-CG 4.02Å; H345-L347 PolarHBondContact O-N 3.07Å | ||
| 348 | R | 43.1 | Very low | 55 | Low | 206 Ų | 206 | 137.5 Ų | 137.5 | 78% | 0.777 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -87.3 | -24.9 | 162.5 | -74.3 | -144.9 | -168.1 | -150 | 6.7 | 113 | ||
| 349 | D | 39.2 | Very low | 53.4 | Low | 127 Ų | 127 | 143.1 Ų | 143.1 | 68% | 0.679 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -92 | -13.5 | -168.9 | -62.1 | -21.2 | 0 | 0 | 0 | 114.2 | R351 | D349-R351 PolarHBondContact O-N 2.91Š|
| 350 | F | 46 | Very low | 51.6 | Low | 173 Ų | 173 | 146.1 Ų | 146.1 | 76% | 0.759 | 70% | 0.695 | S | S | * | * | G | 310 helix | trans | -78.5 | -3.1 | 170.4 | -66.4 | -72.1 | 0 | 0 | 0 | 114.1 | A346 | A346-F350 VanDerWaalsContact O-CD2 3.3Å; A346-F350 WeakPolarHBondContact O-CD2 3.26Å; A346-F350 WeakPolarHBondContact O-CE2 3.49Å |
| 351 | R | 42.8 | Very low | 49.4 | Very low | 193 Ų | 193 | 150.8 Ų | 150.8 | 73% | 0.728 | 72% | 0.716 | S | S | * | * | G | 310 helix | trans | -90.6 | 3.3 | -179.5 | -89.9 | -158.2 | -79.1 | -166 | -5.7 | 115.7 | D349 | D349-R351 PolarHBondContact O-N 2.91Š|
| 352 | F | 41.9 | Very low | 47.5 | Very low | 191 Ų | 191 | 156 Ų | 156 | 84% | 0.838 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -141 | 37.5 | 178.3 | -66.3 | -75.1 | 0 | 0 | 0 | 114.8 | ||
| 353 | Q | 40.8 | Very low | 45.8 | Very low | 184 Ų | 184 | 160.7 Ų | 160.7 | 86% | 0.86 | 75% | 0.75 | S | S | * | * | trans | -128.2 | 63.6 | 163.8 | -108.7 | -175.5 | -15.6 | 0 | 0 | 111.1 | ||||
| 354 | K | 42.2 | Very low | 44.2 | Very low | 207 Ų | 207 | 168.8 Ų | 168.8 | 90% | 0.9 | 79% | 0.785 | S | S | * | * | trans | -143.1 | 91.3 | 150 | -81.8 | -165.9 | 178.9 | 178 | 0 | 108.1 | ||||
| 355 | Q | 37.6 | Very low | 43.1 | Very low | 275 Ų | 275 | 170.6 Ų | 170.6 | 100% | 1.285 | 78% | 0.784 | S | S | * | * | trans | -131.5 | 0 | 143.8 | -84.1 | -167.6 | -24.7 | 0 | 0 | 107.7 |
Retrieved 355 of 355 residues in 66.9 ms
(Link to these results)