| 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 | 34.2 | Very low | 37.3 | Very low | 230 Ų | 230 | 139.3 Ų | 139.3 | 100% | 1.133 | 81% | 0.806 | S | S | * | * | 0 | 112.6 | 0 | -62.6 | 68.5 | 175.7 | 0 | 0 | 104.7 | |||||
| 2 | A | 36.3 | Very low | 37.2 | Very low | 93 Ų | 93 | 148.9 Ų | 148.9 | 77% | 0.769 | 82% | 0.819 | S | S | * | * | 62.4 | 135 | 72.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 3 | D | 31.8 | Very low | 36.7 | Very low | 139 Ų | 139 | 143.4 Ų | 143.4 | 74% | 0.743 | 82% | 0.817 | S | S | * | * | cis | -148.4 | 142.5 | 1.9 | -131.9 | -130.6 | 0 | 0 | 0 | 105.2 | ||||
| 4 | N | 35.4 | Very low | 36.4 | Very low | 130 Ų | 130 | 141.1 Ų | 141.1 | 70% | 0.695 | 82% | 0.815 | S | S | * | * | 64.4 | 152.4 | 84.1 | -136.8 | 9.3 | 0 | 0 | 0 | 116.5 | |||||
| 5 | Q | 35.5 | Very low | 36.1 | Very low | 129 Ų | 129 | 140.5 Ų | 140.5 | 60% | 0.603 | 81% | 0.814 | S | S | * | * | trans | 77.5 | 116.5 | 169.5 | -122.2 | 63.1 | 21.2 | 0 | 0 | 121.8 | ||||
| 6 | E | 48.8 | Very low | 36 | Very low | 155 Ų | 155 | 139.1 Ų | 139.1 | 72% | 0.724 | 81% | 0.814 | S | S | * | * | trans | 10.1 | 134.5 | 139.7 | -52.6 | 175.2 | 107.3 | 0 | 0 | 120.2 | ||||
| 7 | D | 33.1 | Very low | 35.9 | Very low | 169 Ų | 169 | 134.9 Ų | 134.9 | 90% | 0.904 | 81% | 0.808 | S | S | * | * | -163.9 | 144.2 | 123.2 | -110.1 | -33.1 | 0 | 0 | 0 | 112.3 | |||||
| 8 | A | 41.5 | Very low | 35.7 | Very low | 91 Ų | 91 | 134.3 Ų | 134.3 | 75% | 0.752 | 81% | 0.811 | S | S | * | * | trans | -136.9 | 132.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 9 | P | 44.8 | Very low | 36 | Very low | 112 Ų | 112 | 136.8 Ų | 136.8 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | trans | -143.8 | 132 | 141.3 | 29.8 | -11.3 | 0 | 0 | 0 | 116 | ||||
| 10 | L | 36.8 | Very low | 36.1 | Very low | 175 Ų | 175 | 138.6 Ų | 138.6 | 92% | 0.916 | 81% | 0.812 | S | S | * | * | 44.9 | 111.9 | 129.7 | -62.5 | 164.8 | 0 | 0 | 0 | 120.4 | |||||
| 11 | A | 32.4 | Very low | 36.5 | Very low | 109 Ų | 109 | 137.3 Ų | 137.3 | 90% | 0.901 | 81% | 0.806 | S | S | * | * | trans | -137 | 140.6 | 137.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 12 | R | 36 | Very low | 36.6 | Very low | 255 Ų | 255 | 134.3 Ų | 134.3 | 96% | 0.962 | 79% | 0.794 | S | S | * | * | trans | -123.7 | 119.6 | -168.4 | 178.2 | -174.5 | -170.3 | 146.9 | -0.2 | 108.8 | ||||
| 13 | G | 31.1 | Very low | 37 | Very low | 77 Ų | 77 | 135.4 Ų | 135.4 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | trans | 176.9 | 91 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 14 | S | 31.6 | Very low | 37.4 | Very low | 112 Ų | 112 | 136.1 Ų | 136.1 | 78% | 0.783 | 79% | 0.794 | S | S | * | * | trans | 3 | 132.8 | 154.4 | -65.9 | 0 | 0 | 0 | 0 | 123 | ||||
| 15 | V | 32.9 | Very low | 37.8 | Very low | 132 Ų | 132 | 137 Ų | 137 | 80% | 0.8 | 80% | 0.799 | S | S | * | * | 69.8 | 102.5 | 121.9 | -177.2 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 16 | S | 34.5 | Very low | 38.1 | Very low | 118 Ų | 118 | 135.8 Ų | 135.8 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | 64.7 | 112.8 | 128.2 | -164.6 | 0 | 0 | 0 | 0 | 121 | |||||
| 17 | G | 33.9 | Very low | 37.7 | Very low | 68 Ų | 68 | 131.1 Ų | 131.1 | 70% | 0.701 | 81% | 0.805 | S | S | * | * | trans | 106.6 | 100.2 | 130.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 18 | S | 31.8 | Very low | 38.6 | Very low | 124 Ų | 124 | 128.8 Ų | 128.8 | 87% | 0.867 | 80% | 0.799 | S | S | * | * | trans | -168.6 | 147.7 | 135.6 | -81.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 19 | H | 42.6 | Very low | 38.9 | Very low | 182 Ų | 182 | 136.4 Ų | 136.4 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | trans | -59.8 | 150.6 | 158.2 | -78.7 | -145 | 0 | 0 | 0 | 108.7 | ||||
| 20 | E | 36.2 | Very low | 39.4 | Very low | 171 Ų | 171 | 135 Ų | 135 | 80% | 0.799 | 81% | 0.814 | S | S | * | * | -165.9 | 154.7 | 65.6 | -89.9 | -160 | 110.9 | 0 | 0 | 113.9 | |||||
| 21 | V | 45 | Very low | 40.2 | Very low | 112 Ų | 112 | 129.4 Ų | 129.4 | 68% | 0.679 | 80% | 0.798 | S | S | * | * | trans | 24.9 | 111 | 137.8 | -169.2 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 22 | L | 36.6 | Very low | 41.5 | Very low | 168 Ų | 168 | 128.5 Ų | 128.5 | 88% | 0.88 | 79% | 0.785 | S | S | * | * | trans | -149.9 | 98.6 | 130.7 | -112 | 169.9 | 0 | 0 | 0 | 110 | ||||
| 23 | V | 44.7 | Very low | 42.8 | Very low | 115 Ų | 115 | 121.4 Ų | 121.4 | 70% | 0.697 | 77% | 0.767 | S | S | * | * | trans | -71.9 | 130.9 | 168.1 | 172.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 24 | N | 40.8 | Very low | 44.4 | Very low | 154 Ų | 154 | 120.4 Ų | 120.4 | 82% | 0.824 | 75% | 0.748 | S | S | * | * | trans | -150.8 | 136.6 | 147 | -118.4 | -17.6 | 0 | 0 | 0 | 114.2 | ||||
| 25 | N | 43.2 | Very low | 46.2 | Very low | 148 Ų | 148 | 124.2 Ų | 124.2 | 79% | 0.791 | 75% | 0.745 | S | S | * | * | trans | -57.6 | 129.7 | -171.7 | -77.2 | -26.3 | 0 | 0 | 0 | 114.6 | ||||
| 26 | A | 41.4 | Very low | 48 | Very low | 104 Ų | 104 | 121 Ų | 121 | 86% | 0.86 | 73% | 0.732 | S | S | * | * | trans | -104.3 | 101.2 | 142.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 27 | G | 41.2 | Very low | 50 | Low | 58 Ų | 58 | 121.6 Ų | 121.6 | 60% | 0.598 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 146.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | R29 | G27-R29 PolarHBondContact O-N 3.15Š|
| 28 | P | 51 | Low | 52.4 | Low | 119 Ų | 119 | 124.8 Ų | 124.8 | 77% | 0.773 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -69 | 120.8 | -179.9 | 28 | -33.5 | 0 | 0 | 0 | 110.8 | G30 | P28-G30 PolarHBondContact O-N 2.98Š|
| 29 | R | 48.8 | Very low | 54.9 | Low | 251 Ų | 251 | 124 Ų | 124 | 95% | 0.947 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 119.7 | 170 | -76.5 | 179.9 | 170.6 | 160.7 | -2.5 | 109.1 | G27 G31 | G27-R29 PolarHBondContact O-N 3.15Å; R29-G31 PolarHBondContact O-N 3.07Å |
| 30 | G | 54.4 | Low | 57 | Low | 82 Ų | 82 | 117.6 Ų | 117.6 | 85% | 0.845 | 68% | 0.684 | S | S | * | * | trans | -63.7 | 114.8 | -169.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | P28 | P28-G30 PolarHBondContact O-N 2.98Š| ||
| 31 | G | 53.4 | Low | 59.6 | Low | 58 Ų | 58 | 111.3 Ų | 111.3 | 60% | 0.598 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -146.7 | 86.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | R29 N33 | R29-G31 PolarHBondContact O-N 3.07Å; G31-N33 PolarHBondContact O-N 3Å |
| 32 | S | 59.4 | Low | 61.9 | Low | 90 Ų | 90 | 111.5 Ų | 111.5 | 63% | 0.629 | 66% | 0.661 | S | S | * | * | trans | 25.3 | 74.2 | 175.1 | -158.5 | 0 | 0 | 0 | 0 | 116.7 | S34 R35 | S32-S34 PolarHBondContact O-N 3.42Å; S32-R35 PolarHBondContact O-N 3.06Å; S32-R35 VanDerWaalsContact O-N 3.12Å | ||
| 33 | N | 63.7 | Low | 64.5 | Low | 106 Ų | 106 | 107.1 Ų | 107.1 | 57% | 0.567 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54 | -17.5 | -178.3 | -62.7 | -29.6 | 0 | 0 | 0 | 114.9 | G31 R35 A36 L37 | G31-N33 PolarHBondContact O-N 3Å; N33-R35 VanDerWaalsContact C-N 3.26Å; N33-R35 PolarHBondContact O-N 2.83Å; N33-A36 PolarHBondContact O-N 3.35Å; N33-L37 PolarHBondContact O-N 3.17Å; N33-L37 VanDerWaalsContact O-N 3.16Å |
| 34 | S | 64.7 | Low | 66.8 | Low | 57 Ų | 57 | 105.6 Ų | 105.6 | 40% | 0.399 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -56.8 | -36.2 | 174.7 | -173.3 | 0 | 0 | 0 | 0 | 112.9 | S32 K38 | S32-S34 PolarHBondContact O-N 3.42Å; S34-K38 WeakPolarHBondContact O-CB 3.49Å; S34-K38 WeakPolarHBondContact O-CD 3.32Å; S34-K38 VanDerWaalsContact O-CG 3.23Å; S34-K38 WeakPolarHBondContact O-CG 3.1Å; S34-K38 PolarHBondContact O-N 3.41Å; S34-K38 VanDerWaalsContact O-N 3.09Å; S34-K38 WeakPolarHBondContact OG-CE 3.31Å; S34-K38 PolarHBondContact OG-NZ 3.03Å |
| 35 | R | 69.8 | Low | 69.4 | Low | 192 Ų | 192 | 103 Ų | 103 | 73% | 0.725 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -71.5 | -43.2 | -179.1 | -67.3 | -171.6 | 179 | -137 | 1.1 | 111.9 | S32 N33 K38 I39 | S32-R35 PolarHBondContact O-N 3.06Å; S32-R35 VanDerWaalsContact O-N 3.12Å; N33-R35 VanDerWaalsContact C-N 3.26Å; N33-R35 PolarHBondContact O-N 2.83Å; R35-K38 PolarHBondContact O-N 3.01Å; R35-I39 WeakPolarHBondContact O-CD1 3.42Å; R35-I39 VanDerWaalsContact O-CG1 3.26Å; R35-I39 WeakPolarHBondContact O-CG1 3.41Å; R35-I39 PolarHBondContact O-N 3.39Å |
| 36 | A | 71.2 | Confident | 71.8 | Confident | 65 Ų | 65 | 98.1 Ų | 98.1 | 54% | 0.537 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -62.8 | -45.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | N33 K38 I39 A40 | N33-A36 PolarHBondContact O-N 3.35Å; A36-K38 PolarHBondContact O-N 3.1Å; A36-I39 PolarHBondContact O-N 2.95Å; A36-A40 WeakPolarHBondContact O-CB 3.23Å; A36-A40 PolarHBondContact O-N 3.04Å |
| 37 | L | 76.6 | Confident | 74.4 | Confident | 129 Ų | 129 | 97.1 Ų | 97.1 | 68% | 0.675 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -62.3 | -40.7 | 175.7 | -83.6 | 157.6 | 0 | 0 | 0 | 112.7 | N33 A40 G41 | N33-L37 PolarHBondContact O-N 3.17Å; N33-L37 VanDerWaalsContact O-N 3.16Å; L37-A40 PolarHBondContact O-N 2.66Å; L37-G41 PolarHBondContact O-N 3.29Å |
| 38 | K | 83.6 | Confident | 77 | Confident | 135 Ų | 135 | 100 Ų | 100 | 59% | 0.587 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -63.8 | -41.8 | 174.7 | -76.9 | 168.1 | 177.6 | 168.2 | 0 | 112.3 | S34 R35 A36 G41 L42 | S34-K38 WeakPolarHBondContact O-CB 3.49Å; S34-K38 WeakPolarHBondContact O-CD 3.32Å; S34-K38 VanDerWaalsContact O-CG 3.23Å; S34-K38 WeakPolarHBondContact O-CG 3.1Å; S34-K38 PolarHBondContact O-N 3.41Å; S34-K38 VanDerWaalsContact O-N 3.09Å; S34-K38 WeakPolarHBondContact OG-CE 3.31Å; S34-K38 PolarHBondContact OG-NZ 3.03Å; R35-K38 PolarHBondContact O-N 3.01Å; A36-K38 PolarHBondContact O-N 3.1Å; K38-G41 PolarHBondContact O-N 2.72Å; K38-L42 WeakPolarHBondContact O-CB 3.47Å; K38-L42 VanDerWaalsContact O-CG 3.3Å; K38-L42 WeakPolarHBondContact O-CG 3.28Å; K38-L42 PolarHBondContact O-N 2.68Å |
| 39 | I | 83.9 | Confident | 79.1 | Confident | 107 Ų | 107 | 99 Ų | 99 | 55% | 0.549 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -65.2 | -47.4 | 177.4 | -67.3 | 162 | 0 | 0 | 0 | 110.2 | R35 A36 G41 L42 T43 | R35-I39 WeakPolarHBondContact O-CD1 3.42Å; R35-I39 VanDerWaalsContact O-CG1 3.26Å; R35-I39 WeakPolarHBondContact O-CG1 3.41Å; R35-I39 PolarHBondContact O-N 3.39Å; A36-I39 PolarHBondContact O-N 2.95Å; I39-G41 VanDerWaalsContact C-N 3.32Å; I39-G41 PolarHBondContact O-N 3.02Å; I39-L42 PolarHBondContact O-N 2.62Å; I39-L42 VanDerWaalsContact O-N 3.17Å; I39-T43 HydrophobicContact CG2-CG2 4.45Å; I39-T43 WeakPolarHBondContact O-CG2 3.44Å; I39-T43 PolarHBondContact O-N 2.84Å; I39-T43 PolarHBondContact O-OG1 3.08Å |
| 40 | A | 86.8 | Confident | 81.4 | Confident | 49 Ų | 49 | 92.2 Ų | 92.2 | 41% | 0.405 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -61.4 | -37.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | A36 L37 T43 T44 | A36-A40 WeakPolarHBondContact O-CB 3.23Å; A36-A40 PolarHBondContact O-N 3.04Å; L37-A40 PolarHBondContact O-N 2.66Å; A40-T43 WeakPolarHBondContact CA-OG1 3.25Å; A40-T43 PolarHBondContact O-OG1 3.23Å; A40-T44 WeakPolarHBondContact O-CB 3.37Å; A40-T44 WeakPolarHBondContact O-CG2 3.35Å; A40-T44 PolarHBondContact O-N 3.16Å; A40-T44 PolarHBondContact O-OG1 2.96Å |
| 41 | G | 91.4 | Very high | 83.3 | Confident | 38 Ų | 38 | 91.1 Ų | 91.1 | 39% | 0.392 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.4 | -41.7 | 173 | 0 | 0 | 0 | 0 | 0 | 113 | L37 K38 I39 T44 L45 | L37-G41 PolarHBondContact O-N 3.29Å; K38-G41 PolarHBondContact O-N 2.72Å; I39-G41 VanDerWaalsContact C-N 3.32Å; I39-G41 PolarHBondContact O-N 3.02Å; G41-T44 WeakPolarHBondContact CA-OG1 3.22Å; G41-T44 PolarHBondContact O-OG1 3.42Å; G41-L45 WeakPolarHBondContact O-CB 3.32Å; G41-L45 PolarHBondContact O-N 2.84Å |
| 42 | L | 92.3 | Very high | 85.3 | Confident | 117 Ų | 117 | 91.6 Ų | 91.6 | 61% | 0.613 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -70 | -37.9 | 177.3 | -71.7 | 169.7 | 0 | 0 | 0 | 112.5 | K38 I39 A46 | K38-L42 WeakPolarHBondContact O-CB 3.47Å; K38-L42 VanDerWaalsContact O-CG 3.3Å; K38-L42 WeakPolarHBondContact O-CG 3.28Å; K38-L42 PolarHBondContact O-N 2.68Å; I39-L42 PolarHBondContact O-N 2.62Å; I39-L42 VanDerWaalsContact O-N 3.17Å; L42-A46 WeakPolarHBondContact O-CB 3.34Å; L42-A46 PolarHBondContact O-N 3.42Å |
| 43 | T | 92.8 | Very high | 86.9 | Confident | 76 Ų | 76 | 93.7 Ų | 93.7 | 47% | 0.466 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -68.4 | -41.1 | 176.5 | 53 | 0 | 0 | 0 | 0 | 111.9 | I39 A40 A46 C47 | I39-T43 HydrophobicContact CG2-CG2 4.45Å; I39-T43 WeakPolarHBondContact O-CG2 3.44Å; I39-T43 PolarHBondContact O-N 2.84Å; I39-T43 PolarHBondContact O-OG1 3.08Å; A40-T43 WeakPolarHBondContact CA-OG1 3.25Å; A40-T43 PolarHBondContact O-OG1 3.23Å; T43-A46 PolarHBondContact O-N 2.88Å; T43-C47 PolarHBondContact O-N 3.44Å; T43-C47 PolarHBondContact O-SG 2.92Å |
| 44 | T | 93.3 | Very high | 88.4 | Confident | 83 Ų | 83 | 93.7 Ų | 93.7 | 51% | 0.509 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.2 | -41 | 176.2 | 47 | 0 | 0 | 0 | 0 | 111.7 | A40 G41 A46 C47 L48 | A40-T44 WeakPolarHBondContact O-CB 3.37Å; A40-T44 WeakPolarHBondContact O-CG2 3.35Å; A40-T44 PolarHBondContact O-N 3.16Å; A40-T44 PolarHBondContact O-OG1 2.96Å; G41-T44 WeakPolarHBondContact CA-OG1 3.22Å; G41-T44 PolarHBondContact O-OG1 3.42Å; T44-A46 PolarHBondContact O-N 3.04Å; T44-C47 PolarHBondContact O-N 3.43Å; T44-L48 WeakPolarHBondContact O-CG 3.38Å; T44-L48 PolarHBondContact O-N 2.88Å |
| 45 | L | 93.9 | Very high | 89.8 | Confident | 98 Ų | 98 | 96.9 Ų | 96.9 | 51% | 0.513 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -58.4 | -47 | 171.9 | -168.5 | 88.1 | 0 | 0 | 0 | 111.8 | G41 C47 L48 L49 | G41-L45 WeakPolarHBondContact O-CB 3.32Å; G41-L45 PolarHBondContact O-N 2.84Å; L45-C47 PolarHBondContact O-N 3.21Å; L45-L48 PolarHBondContact O-N 2.99Å; L45-L49 HydrophobicContact CD2-CD1 4.41Å; L45-L49 HydrophobicContact CG-CD1 4.29Å; L45-L49 WeakPolarHBondContact O-CG 3.49Å; L45-L49 PolarHBondContact O-N 3.11Å |
| 46 | A | 94.8 | Very high | 90.8 | Very high | 47 Ų | 47 | 91.8 Ų | 91.8 | 39% | 0.388 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.8 | -42.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L42 T43 T44 L49 L50 | L42-A46 WeakPolarHBondContact O-CB 3.34Å; L42-A46 PolarHBondContact O-N 3.42Å; T43-A46 PolarHBondContact O-N 2.88Å; T44-A46 PolarHBondContact O-N 3.04Å; A46-L49 PolarHBondContact O-N 3.09Å; A46-L50 WeakPolarHBondContact O-CG 3.39Å; A46-L50 PolarHBondContact O-N 3.29Å |
| 47 | C | 95.1 | Very high | 91.8 | Very high | 83 Ų | 83 | 91.7 Ų | 91.7 | 56% | 0.561 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.7 | -42.7 | 174.7 | -70.1 | 0 | 0 | 0 | 0 | 112.4 | T43 T44 L45 L50 A51 | T43-C47 PolarHBondContact O-N 3.44Å; T43-C47 PolarHBondContact O-SG 2.92Å; T44-C47 PolarHBondContact O-N 3.43Å; L45-C47 PolarHBondContact O-N 3.21Å; C47-L50 PolarHBondContact O-N 2.97Å; C47-A51 WeakPolarHBondContact O-CB 3.49Å; C47-A51 PolarHBondContact O-N 2.84Å |
| 48 | L | 96.1 | Very high | 92.4 | Very high | 117 Ų | 117 | 92.7 Ų | 92.7 | 61% | 0.613 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.1 | -38.7 | 177.2 | -71.1 | 172.2 | 0 | 0 | 0 | 112.3 | T44 L45 S52 | T44-L48 WeakPolarHBondContact O-CG 3.38Å; T44-L48 PolarHBondContact O-N 2.88Å; L45-L48 PolarHBondContact O-N 2.99Å; L48-S52 WeakPolarHBondContact O-CB 3.38Å; L48-S52 PolarHBondContact O-N 3.22Å; L48-S52 PolarHBondContact O-OG 2.95Å |
| 49 | L | 95.6 | Very high | 92.4 | Very high | 99 Ų | 99 | 90.3 Ų | 90.3 | 52% | 0.518 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.7 | -44.9 | 175.5 | -70.9 | 170.8 | 0 | 0 | 0 | 111.9 | L45 A46 S52 Q53 | L45-L49 HydrophobicContact CD2-CD1 4.41Å; L45-L49 HydrophobicContact CG-CD1 4.29Å; L45-L49 WeakPolarHBondContact O-CG 3.49Å; L45-L49 PolarHBondContact O-N 3.11Å; A46-L49 PolarHBondContact O-N 3.09Å; L49-S52 PolarHBondContact O-N 3.34Å; L49-Q53 WeakPolarHBondContact O-CG 3.43Å; L49-Q53 PolarHBondContact O-N 3.36Å |
| 50 | L | 96.1 | Very high | 92.3 | Very high | 109 Ų | 109 | 89.5 Ų | 89.5 | 57% | 0.571 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.2 | -44.9 | 176.2 | -70.2 | 171.7 | 0 | 0 | 0 | 111.8 | A46 C47 S52 Q53 V54 | A46-L50 WeakPolarHBondContact O-CG 3.39Å; A46-L50 PolarHBondContact O-N 3.29Å; C47-L50 PolarHBondContact O-N 2.97Å; L50-S52 VanDerWaalsContact C-N 3.32Å; L50-S52 PolarHBondContact O-N 3.18Å; L50-Q53 PolarHBondContact O-N 3.26Å; L50-V54 WeakPolarHBondContact O-CG2 3.43Å; L50-V54 PolarHBondContact O-N 3.39Å |
| 51 | A | 94.8 | Very high | 91.9 | Very high | 59 Ų | 59 | 93.3 Ų | 93.3 | 49% | 0.488 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.6 | -41 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | C47 Q53 V54 F55 | C47-A51 WeakPolarHBondContact O-CB 3.49Å; C47-A51 PolarHBondContact O-N 2.84Å; A51-Q53 PolarHBondContact O-N 3.34Å; A51-V54 PolarHBondContact O-N 3.22Å; A51-F55 WeakPolarHBondContact O-CB 3.37Å; A51-F55 PolarHBondContact O-N 3.48Å |
| 52 | S | 94.6 | Very high | 90.9 | Very high | 68 Ų | 68 | 95 Ų | 95 | 48% | 0.476 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.6 | -38.7 | 177.3 | -58.4 | 0 | 0 | 0 | 0 | 112.6 | L48 L49 L50 T56 | L48-S52 WeakPolarHBondContact O-CB 3.38Å; L48-S52 PolarHBondContact O-N 3.22Å; L48-S52 PolarHBondContact O-OG 2.95Å; L49-S52 PolarHBondContact O-N 3.34Å; L50-S52 VanDerWaalsContact C-N 3.32Å; L50-S52 PolarHBondContact O-N 3.18Å; S52-T56 WeakPolarHBondContact O-CB 3.35Å; S52-T56 PolarHBondContact O-N 3.22Å; S52-T56 PolarHBondContact O-OG1 3.26Å |
| 53 | Q | 93.2 | Very high | 89.4 | Confident | 134 Ų | 134 | 95.2 Ų | 95.2 | 63% | 0.626 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -67.8 | -43.6 | 175.5 | -72.5 | -178.5 | 4 | 0 | 0 | 111.9 | L49 L50 A51 T56 A57 | L49-Q53 WeakPolarHBondContact O-CG 3.43Å; L49-Q53 PolarHBondContact O-N 3.36Å; L50-Q53 PolarHBondContact O-N 3.26Å; A51-Q53 PolarHBondContact O-N 3.34Å; Q53-T56 PolarHBondContact O-N 3.42Å; Q53-A57 WeakPolarHBondContact O-CB 3.41Å; Q53-A57 PolarHBondContact O-N 3.36Å |
| 54 | V | 95.9 | Very high | 88 | Confident | 105 Ų | 105 | 97.3 Ų | 97.3 | 64% | 0.636 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.3 | -43.2 | 175.6 | 172.7 | 0 | 0 | 0 | 0 | 111.1 | L50 A51 A57 Y58 | L50-V54 WeakPolarHBondContact O-CG2 3.43Å; L50-V54 PolarHBondContact O-N 3.39Å; A51-V54 PolarHBondContact O-N 3.22Å; V54-A57 PolarHBondContact O-N 3.15Å; V54-Y58 WeakPolarHBondContact O-CB 3.45Å; V54-Y58 PolarHBondContact O-N 3.44Å |
| 55 | F | 94.4 | Very high | 86.5 | Confident | 124 Ų | 124 | 98.8 Ų | 98.8 | 54% | 0.544 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.6 | -44.8 | 175 | -178.1 | -100.7 | 0 | 0 | 0 | 112 | A51 A57 Y58 M59 | A51-F55 WeakPolarHBondContact O-CB 3.37Å; A51-F55 PolarHBondContact O-N 3.48Å; F55-A57 PolarHBondContact O-N 3.17Å; F55-Y58 WeakPolarHBondContact O-CB 3.2Å; F55-Y58 PolarHBondContact O-N 3.31Å; F55-M59 HydrophobicContact CD1-CG 4.14Å; F55-M59 HydrophobicContact CE1-CG 3.74Å; F55-M59 HydrophobicContact CE1-SD 4.39Å; F55-M59 HydrophobicContact CE2-CG 4.14Å; F55-M59 HydrophobicContact CE2-SD 4.18Å; F55-M59 HydrophobicContact CZ-CE 4.39Å; F55-M59 HydrophobicContact CZ-CG 3.74Å; F55-M59 HydrophobicContact CZ-SD 3.83Å; F55-M59 VanDerWaalsContact O-CG 3.28Å; F55-M59 WeakPolarHBondContact O-CG 3.27Å; F55-M59 PolarHBondContact O-N 3.48Å |
| 56 | T | 91.1 | Very high | 84.8 | Confident | 85 Ų | 85 | 100 Ų | 100 | 52% | 0.521 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.6 | -44.3 | 176.7 | -54.8 | 0 | 0 | 0 | 0 | 111.4 | S52 Q53 Y58 M59 V60 | S52-T56 WeakPolarHBondContact O-CB 3.35Å; S52-T56 PolarHBondContact O-N 3.22Å; S52-T56 PolarHBondContact O-OG1 3.26Å; Q53-T56 PolarHBondContact O-N 3.42Å; T56-Y58 PolarHBondContact O-N 2.96Å; T56-M59 PolarHBondContact O-N 3.19Å; T56-V60 WeakPolarHBondContact O-CG2 3.43Å; T56-V60 PolarHBondContact O-N 2.99Å |
| 57 | A | 91.3 | Very high | 83.2 | Confident | 63 Ų | 63 | 103 Ų | 103 | 52% | 0.521 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.7 | -39.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q53 V54 F55 F61 | Q53-A57 WeakPolarHBondContact O-CB 3.41Å; Q53-A57 PolarHBondContact O-N 3.36Å; V54-A57 PolarHBondContact O-N 3.15Å; F55-A57 PolarHBondContact O-N 3.17Å; A57-F61 WeakPolarHBondContact O-CB 3.47Å; A57-F61 PolarHBondContact O-N 2.94Å |
| 58 | Y | 89.4 | Confident | 81.4 | Confident | 150 Ų | 150 | 104.9 Ų | 104.9 | 59% | 0.588 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.4 | -49.6 | 174.7 | 179.4 | -97.2 | 0 | 0 | 0 | 111.8 | V54 F55 T56 V60 F61 D62 | V54-Y58 WeakPolarHBondContact O-CB 3.45Å; V54-Y58 PolarHBondContact O-N 3.44Å; F55-Y58 WeakPolarHBondContact O-CB 3.2Å; F55-Y58 PolarHBondContact O-N 3.31Å; T56-Y58 PolarHBondContact O-N 2.96Å; Y58-V60 VanDerWaalsContact C-N 3.34Å; Y58-V60 PolarHBondContact O-N 3.19Å; Y58-F61 PolarHBondContact O-N 3.1Å; Y58-F61 VanDerWaalsContact O-N 3.12Å; Y58-D62 PolarHBondContact O-N 3.26Å |
| 59 | M | 84.7 | Confident | 79.9 | Confident | 85 Ų | 85 | 103.9 Ų | 103.9 | 42% | 0.419 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.4 | -39.6 | 178.7 | -67.2 | -67.7 | -76.1 | 0 | 0 | 112.3 | F55 T56 D62 Q63 | F55-M59 HydrophobicContact CD1-CG 4.14Å; F55-M59 HydrophobicContact CE1-CG 3.74Å; F55-M59 HydrophobicContact CE1-SD 4.39Å; F55-M59 HydrophobicContact CE2-CG 4.14Å; F55-M59 HydrophobicContact CE2-SD 4.18Å; F55-M59 HydrophobicContact CZ-CE 4.39Å; F55-M59 HydrophobicContact CZ-CG 3.74Å; F55-M59 HydrophobicContact CZ-SD 3.83Å; F55-M59 VanDerWaalsContact O-CG 3.28Å; F55-M59 WeakPolarHBondContact O-CG 3.27Å; F55-M59 PolarHBondContact O-N 3.48Å; T56-M59 PolarHBondContact O-N 3.19Å; M59-D62 PolarHBondContact O-N 3Å; M59-Q63 WeakPolarHBondContact O-CG 3.4Å; M59-Q63 PolarHBondContact O-N 3.41Å |
| 60 | V | 81.2 | Confident | 78.1 | Confident | 91 Ų | 91 | 105.1 Ų | 105.1 | 55% | 0.552 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -67.4 | -35.8 | 174.9 | 170.5 | 0 | 0 | 0 | 0 | 111.9 | T56 Y58 K64 | T56-V60 WeakPolarHBondContact O-CG2 3.43Å; T56-V60 PolarHBondContact O-N 2.99Å; Y58-V60 VanDerWaalsContact C-N 3.34Å; Y58-V60 PolarHBondContact O-N 3.19Å; V60-K64 PolarHBondContact O-N 3.45Å |
| 61 | F | 76.9 | Confident | 76.7 | Confident | 129 Ų | 129 | 106.1 Ų | 106.1 | 57% | 0.566 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -71.7 | -36.5 | 176.1 | -168.3 | -92.9 | 0 | 0 | 0 | 112.5 | A57 Y58 K64 Q65 | A57-F61 WeakPolarHBondContact O-CB 3.47Å; A57-F61 PolarHBondContact O-N 2.94Å; Y58-F61 PolarHBondContact O-N 3.1Å; Y58-F61 VanDerWaalsContact O-N 3.12Å; F61-K64 VanDerWaalsContact O-CB 3.27Å; F61-K64 WeakPolarHBondContact O-CB 3.29Å; F61-K64 PolarHBondContact O-N 2.87Å; F61-Q65 PolarHBondContact O-N 3.25Å |
| 62 | D | 72.3 | Confident | 75.5 | Confident | 72 Ų | 72 | 109.2 Ų | 109.2 | 39% | 0.385 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -66.8 | -44.2 | 175.6 | -169 | 70.8 | 0 | 0 | 0 | 111.9 | Y58 M59 K64 Q65 | Y58-D62 PolarHBondContact O-N 3.26Å; M59-D62 PolarHBondContact O-N 3Å; D62-K64 PolarHBondContact O-N 2.86Å; D62-K64 VanDerWaalsContact O-N 3.13Å; D62-Q65 WeakPolarHBondContact O-CB 3.25Å; D62-Q65 PolarHBondContact O-N 3.08Å |
| 63 | Q | 59.4 | Low | 74.6 | Confident | 123 Ų | 123 | 109.1 Ų | 109.1 | 58% | 0.575 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -55.7 | -33.2 | 172.2 | -75.3 | -175 | -1.4 | 0 | 0 | 112.7 | M59 Q65 Q66 I67 | M59-Q63 WeakPolarHBondContact O-CG 3.4Å; M59-Q63 PolarHBondContact O-N 3.41Å; Q63-Q65 VanDerWaalsContact C-N 3.34Å; Q63-Q65 PolarHBondContact O-N 3.42Å; Q63-Q66 PolarHBondContact O-N 2.94Å; Q63-I67 WeakPolarHBondContact O-CG1 3.42Å; Q63-I67 PolarHBondContact O-N 2.78Å |
| 64 | K | 64.4 | Low | 73.5 | Confident | 120 Ų | 120 | 106.4 Ų | 106.4 | 52% | 0.522 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.2 | -34.9 | 176.8 | -163.5 | 178.2 | 178.7 | -179.8 | 0 | 112.6 | V60 F61 D62 H68 | V60-K64 PolarHBondContact O-N 3.45Å; F61-K64 VanDerWaalsContact O-CB 3.27Å; F61-K64 WeakPolarHBondContact O-CB 3.29Å; F61-K64 PolarHBondContact O-N 2.87Å; D62-K64 PolarHBondContact O-N 2.86Å; D62-K64 VanDerWaalsContact O-N 3.13Å; K64-H68 PolarHBondContact O-CD2 3.39Å; K64-H68 VanDerWaalsContact O-CD2 3.25Å; K64-H68 PolarHBondContact O-N 2.98Å |
| 65 | Q | 60.5 | Low | 72.3 | Confident | 114 Ų | 114 | 105.7 Ų | 105.7 | 53% | 0.533 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.1 | -43.5 | 175.9 | -70.2 | -83.5 | -7.7 | 0 | 0 | 111.6 | F61 D62 Q63 H68 T69 | F61-Q65 PolarHBondContact O-N 3.25Å; D62-Q65 WeakPolarHBondContact O-CB 3.25Å; D62-Q65 PolarHBondContact O-N 3.08Å; Q63-Q65 VanDerWaalsContact C-N 3.34Å; Q63-Q65 PolarHBondContact O-N 3.42Å; Q65-H68 PolarHBondContact O-N 2.79Å; Q65-T69 PolarHBondContact O-N 3.13Å; Q65-T69 PolarHBondContact O-OG1 3.28Å |
| 66 | Q | 59.1 | Low | 71 | Confident | 124 Ų | 124 | 107.7 Ų | 107.7 | 58% | 0.579 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -67.5 | -39.9 | -179.2 | -61.4 | -164.1 | 8.5 | 0 | 0 | 112.4 | Q63 H68 T69 L70 | Q63-Q66 PolarHBondContact O-N 2.94Å; Q66-H68 VanDerWaalsContact C-N 3.31Å; Q66-H68 PolarHBondContact O-N 2.85Å; Q66-T69 WeakPolarHBondContact O-CB 3.49Å; Q66-T69 PolarHBondContact O-N 3.43Å; Q66-L70 PolarHBondContact O-N 3.37Å |
| 67 | I | 60.9 | Low | 69.7 | Low | 110 Ų | 110 | 109.7 Ų | 109.7 | 56% | 0.564 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -60 | -40.5 | 176.7 | -66.6 | 165.1 | 0 | 0 | 0 | 111.3 | Q63 T69 K71 | Q63-I67 WeakPolarHBondContact O-CG1 3.42Å; Q63-I67 PolarHBondContact O-N 2.78Å; I67-T69 VanDerWaalsContact C-N 3.3Å; I67-T69 PolarHBondContact O-N 3.03Å; I67-K71 VanDerWaalsContact O-CB 3.27Å; I67-K71 WeakPolarHBondContact O-CB 3.32Å; I67-K71 PolarHBondContact O-N 3.17Å |
| 68 | H | 58.4 | Low | 68.3 | Low | 122 Ų | 122 | 109.9 Ų | 109.9 | 57% | 0.565 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -63.4 | -35.1 | 174.4 | -83.9 | -72.6 | 0 | 0 | 0 | 112.8 | K64 Q65 Q66 K72 | K64-H68 PolarHBondContact O-CD2 3.39Å; K64-H68 VanDerWaalsContact O-CD2 3.25Å; K64-H68 PolarHBondContact O-N 2.98Å; Q65-H68 PolarHBondContact O-N 2.79Å; Q66-H68 VanDerWaalsContact C-N 3.31Å; Q66-H68 PolarHBondContact O-N 2.85Å; H68-K72 WeakPolarHBondContact O-CB 3.41Å; H68-K72 PolarHBondContact O-N 3Å |
| 69 | T | 63 | Low | 67.2 | Low | 95 Ų | 95 | 109 Ų | 109 | 58% | 0.583 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -71.2 | -45.1 | 179.3 | -56.2 | 0 | 0 | 0 | 0 | 111.7 | Q65 Q66 I67 K72 S73 | Q65-T69 PolarHBondContact O-N 3.13Å; Q65-T69 PolarHBondContact O-OG1 3.28Å; Q66-T69 WeakPolarHBondContact O-CB 3.49Å; Q66-T69 PolarHBondContact O-N 3.43Å; I67-T69 VanDerWaalsContact C-N 3.3Å; I67-T69 PolarHBondContact O-N 3.03Å; T69-K72 PolarHBondContact O-N 2.97Å; T69-S73 PolarHBondContact O-N 3.37Å |
| 70 | L | 57.9 | Low | 65.9 | Low | 125 Ų | 125 | 112 Ų | 112 | 65% | 0.654 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -63.5 | -43.9 | 175.2 | -69.5 | 170.4 | 0 | 0 | 0 | 111.9 | Q66 K72 S73 S74 | Q66-L70 PolarHBondContact O-N 3.37Å; L70-K72 PolarHBondContact O-N 2.91Å; L70-S73 PolarHBondContact O-N 3.43Å; L70-S74 PolarHBondContact O-N 2.78Å |
| 71 | K | 67.6 | Low | 64.8 | Low | 130 Ų | 130 | 112.1 Ų | 112.1 | 57% | 0.565 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -61.7 | -43.6 | 175.9 | -172.6 | 170.2 | -178.5 | 174 | 0 | 112.2 | I67 S73 S74 E75 | I67-K71 VanDerWaalsContact O-CB 3.27Å; I67-K71 WeakPolarHBondContact O-CB 3.32Å; I67-K71 PolarHBondContact O-N 3.17Å; K71-S73 VanDerWaalsContact C-N 3.32Å; K71-S73 PolarHBondContact O-N 3.25Å; K71-S74 PolarHBondContact O-N 2.88Å; K71-E75 VanDerWaalsContact CE-OE1 3.29Å; K71-E75 WeakPolarHBondContact CE-OE1 3.38Å; K71-E75 WeakPolarHBondContact O-CG 3.36Å; K71-E75 PolarHBondContact O-N 3.3Å |
| 72 | K | 69.8 | Low | 63.9 | Low | 124 Ų | 124 | 109.2 Ų | 109.2 | 54% | 0.539 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.5 | -32 | 176.7 | -172.1 | 174.9 | -174.4 | 176.1 | 0 | 112.9 | H68 T69 L70 R76 | H68-K72 WeakPolarHBondContact O-CB 3.41Å; H68-K72 PolarHBondContact O-N 3Å; T69-K72 PolarHBondContact O-N 2.97Å; L70-K72 PolarHBondContact O-N 2.91Å; K72-R76 WeakPolarHBondContact O-CD 3.26Å; K72-R76 VanDerWaalsContact O-CG 3.29Å; K72-R76 WeakPolarHBondContact O-CG 3.48Å; K72-R76 PolarHBondContact O-N 2.81Å |
| 73 | S | 74.3 | Confident | 63 | Low | 66 Ų | 66 | 115.2 Ų | 115.2 | 46% | 0.462 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -69.4 | -48.1 | 172.5 | -165.5 | 0 | 0 | 0 | 0 | 111.5 | T69 L70 K71 E75 R76 M77 | T69-S73 PolarHBondContact O-N 3.37Å; L70-S73 PolarHBondContact O-N 3.43Å; K71-S73 VanDerWaalsContact C-N 3.32Å; K71-S73 PolarHBondContact O-N 3.25Å; S73-E75 PolarHBondContact O-N 3.48Å; S73-R76 WeakPolarHBondContact O-CB 3.33Å; S73-R76 PolarHBondContact O-N 3.38Å; S73-R76 VanDerWaalsContact O-N 3.17Å; S73-M77 PolarHBondContact O-N 3.26Å |
| 74 | S | 70.3 | Confident | 62.7 | Low | 77 Ų | 77 | 115 Ų | 115 | 54% | 0.538 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -59.2 | -44.8 | 176.4 | -179 | 0 | 0 | 0 | 0 | 112.6 | L70 K71 R76 M77 S78 | L70-S74 PolarHBondContact O-N 2.78Å; K71-S74 PolarHBondContact O-N 2.88Å; S74-R76 VanDerWaalsContact C-N 3.3Å; S74-R76 PolarHBondContact O-N 3.4Å; S74-M77 PolarHBondContact O-N 3.29Å; S74-S78 WeakPolarHBondContact O-CB 3.39Å; S74-S78 PolarHBondContact O-N 3.49Å |
| 75 | E | 71.7 | Confident | 62 | Low | 91 Ų | 91 | 113.7 Ų | 113.7 | 43% | 0.425 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -64.3 | -31.7 | 176.8 | -75 | 177.3 | -163.4 | 0 | 0 | 113.2 | K71 S73 K79 | K71-E75 VanDerWaalsContact CE-OE1 3.29Å; K71-E75 WeakPolarHBondContact CE-OE1 3.38Å; K71-E75 WeakPolarHBondContact O-CG 3.36Å; K71-E75 PolarHBondContact O-N 3.3Å; S73-E75 PolarHBondContact O-N 3.48Å; E75-K79 WeakPolarHBondContact O-CB 3.4Å; E75-K79 WeakPolarHBondContact O-CD 3.5Å; E75-K79 VanDerWaalsContact O-CG 3.25Å; E75-K79 WeakPolarHBondContact O-CG 3.47Å; E75-K79 PolarHBondContact O-N 3.35Å |
| 76 | R | 66.2 | Low | 61.3 | Low | 165 Ų | 165 | 115.8 Ų | 115.8 | 62% | 0.623 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -71 | -44.6 | 173.6 | -78 | 170.3 | 169.6 | 176.2 | -7.7 | 111.5 | K72 S73 S74 K79 Q80 | K72-R76 WeakPolarHBondContact O-CD 3.26Å; K72-R76 VanDerWaalsContact O-CG 3.29Å; K72-R76 WeakPolarHBondContact O-CG 3.48Å; K72-R76 PolarHBondContact O-N 2.81Å; S73-R76 WeakPolarHBondContact O-CB 3.33Å; S73-R76 PolarHBondContact O-N 3.38Å; S73-R76 VanDerWaalsContact O-N 3.17Å; S74-R76 VanDerWaalsContact C-N 3.3Å; S74-R76 PolarHBondContact O-N 3.4Å; R76-K79 PolarHBondContact O-N 3.2Å; R76-Q80 PolarHBondContact O-N 2.8Å; R76-Q80 VanDerWaalsContact O-N 3.15Å |
| 77 | M | 63.9 | Low | 60.7 | Low | 128 Ų | 128 | 112.4 Ų | 112.4 | 63% | 0.631 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -63.8 | -43.4 | 177.7 | -167.2 | 175.8 | -69.6 | 0 | 0 | 111.6 | S73 S74 K79 Q80 V81 | S73-M77 PolarHBondContact O-N 3.26Å; S74-M77 PolarHBondContact O-N 3.29Å; M77-K79 PolarHBondContact O-N 3.26Å; M77-Q80 WeakPolarHBondContact O-CB 3.42Å; M77-Q80 PolarHBondContact O-N 2.82Å; M77-Q80 VanDerWaalsContact O-N 3.1Å; M77-V81 PolarHBondContact O-N 2.92Å; M77-V81 VanDerWaalsContact O-N 3.09Å |
| 78 | S | 63.3 | Low | 60.2 | Low | 67 Ų | 67 | 111.1 Ų | 111.1 | 47% | 0.469 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -57.7 | -48 | 173.9 | 176.6 | 0 | 0 | 0 | 0 | 112 | S74 Q80 V81 T82 | S74-S78 WeakPolarHBondContact O-CB 3.39Å; S74-S78 PolarHBondContact O-N 3.49Å; S78-Q80 PolarHBondContact O-N 3.49Å; S78-V81 PolarHBondContact O-N 3.19Å; S78-V81 VanDerWaalsContact O-N 3.11Å; S78-T82 PolarHBondContact O-N 2.83Å; S78-T82 PolarHBondContact O-OG1 2.79Å |
| 79 | K | 64.4 | Low | 59.8 | Low | 132 Ų | 132 | 111.7 Ų | 111.7 | 57% | 0.574 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -61.4 | -25.1 | 176.1 | -74.9 | 168.3 | -177.6 | 169.7 | 0 | 113.7 | E75 R76 M77 R83 | E75-K79 WeakPolarHBondContact O-CB 3.4Å; E75-K79 WeakPolarHBondContact O-CD 3.5Å; E75-K79 VanDerWaalsContact O-CG 3.25Å; E75-K79 WeakPolarHBondContact O-CG 3.47Å; E75-K79 PolarHBondContact O-N 3.35Å; R76-K79 PolarHBondContact O-N 3.2Å; M77-K79 PolarHBondContact O-N 3.26Å; K79-R83 WeakPolarHBondContact O-CG 3.44Å; K79-R83 PolarHBondContact O-N 3.4Å |
| 80 | Q | 59.1 | Low | 58.9 | Low | 146 Ų | 146 | 111.3 Ų | 111.3 | 68% | 0.682 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -77 | -41.1 | 175.2 | -162 | 163.4 | -25.5 | 0 | 0 | 111.2 | R76 M77 S78 R83 V84 | R76-Q80 PolarHBondContact O-N 2.8Å; R76-Q80 VanDerWaalsContact O-N 3.15Å; M77-Q80 WeakPolarHBondContact O-CB 3.42Å; M77-Q80 PolarHBondContact O-N 2.82Å; M77-Q80 VanDerWaalsContact O-N 3.1Å; S78-Q80 PolarHBondContact O-N 3.49Å; Q80-R83 PolarHBondContact O-N 3.29Å; Q80-V84 PolarHBondContact O-N 3.4Å |
| 81 | V | 57.7 | Low | 58.2 | Low | 95 Ų | 95 | 111.3 Ų | 111.3 | 58% | 0.576 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -62.6 | -44.7 | 172.2 | 178.7 | 0 | 0 | 0 | 0 | 111.2 | M77 S78 R83 V84 S85 | M77-V81 PolarHBondContact O-N 2.92Å; M77-V81 VanDerWaalsContact O-N 3.09Å; S78-V81 PolarHBondContact O-N 3.19Å; S78-V81 VanDerWaalsContact O-N 3.11Å; V81-R83 VanDerWaalsContact C-N 3.3Å; V81-R83 PolarHBondContact O-N 2.87Å; V81-V84 PolarHBondContact O-N 3.05Å; V81-S85 PolarHBondContact O-N 3.1Å; V81-S85 PolarHBondContact O-OG 3.37Å |
| 82 | T | 57.9 | Low | 57.2 | Low | 67 Ų | 67 | 109.4 Ų | 109.4 | 41% | 0.411 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -65.1 | -30.9 | 178.7 | -40.9 | 0 | 0 | 0 | 0 | 113.1 | S78 S85 Q86 | S78-T82 PolarHBondContact O-N 2.83Å; S78-T82 PolarHBondContact O-OG1 2.79Å; T82-S85 WeakPolarHBondContact O-CB 3.48Å; T82-S85 PolarHBondContact O-N 3.45Å; T82-Q86 PolarHBondContact O-N 3.29Å |
| 83 | R | 52.8 | Low | 56.3 | Low | 199 Ų | 199 | 115.3 Ų | 115.3 | 75% | 0.751 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -70.4 | -33.5 | 175.5 | -83.2 | 178 | 173.2 | 170.3 | -3.1 | 113 | K79 Q80 V81 S85 Q86 | K79-R83 WeakPolarHBondContact O-CG 3.44Å; K79-R83 PolarHBondContact O-N 3.4Å; Q80-R83 PolarHBondContact O-N 3.29Å; V81-R83 VanDerWaalsContact C-N 3.3Å; V81-R83 PolarHBondContact O-N 2.87Å; R83-S85 PolarHBondContact O-N 2.86Å; R83-Q86 PolarHBondContact O-N 3.48Å |
| 84 | V | 53 | Low | 54.9 | Low | 119 Ų | 119 | 120.7 Ų | 120.7 | 72% | 0.721 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -63.7 | -30.5 | 170.9 | 175.1 | 0 | 0 | 0 | 0 | 110.8 | Q80 V81 | Q80-V84 PolarHBondContact O-N 3.4Å; V81-V84 PolarHBondContact O-N 3.05Å |
| 85 | S | 50.8 | Low | 53.8 | Low | 92 Ų | 92 | 121.5 Ų | 121.5 | 64% | 0.643 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | -11 | 176.9 | -41.7 | 0 | 0 | 0 | 0 | 115.5 | V81 T82 R83 | V81-S85 PolarHBondContact O-N 3.1Å; V81-S85 PolarHBondContact O-OG 3.37Å; T82-S85 WeakPolarHBondContact O-CB 3.48Å; T82-S85 PolarHBondContact O-N 3.45Å; R83-S85 PolarHBondContact O-N 2.86Å |
| 86 | Q | 45.3 | Very low | 52.4 | Low | 157 Ų | 157 | 125.1 Ų | 125.1 | 73% | 0.734 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.1 | -2.8 | -174.4 | -73.8 | -174.3 | -28.4 | 0 | 0 | 114.4 | T82 R83 | T82-Q86 PolarHBondContact O-N 3.29Å; R83-Q86 PolarHBondContact O-N 3.48Å |
| 87 | G | 47.1 | Very low | 51.2 | Low | 53 Ų | 53 | 122.3 Ų | 122.3 | 55% | 0.546 | 70% | 0.704 | S | S | . | * | S | Bend | trans | -82.9 | 107 | 162 | 0 | 0 | 0 | 0 | 0 | 109.5 | V89 | G87-V89 PolarHBondContact O-N 3.11Š|
| 88 | G | 50.3 | Low | 50.4 | Low | 84 Ų | 84 | 125.2 Ų | 125.2 | 87% | 0.866 | 72% | 0.718 | S | S | * | * | trans | -67.1 | 88.5 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 89 | V | 48.5 | Very low | 49.5 | Very low | 133 Ų | 133 | 129.1 Ų | 129.1 | 81% | 0.806 | 73% | 0.734 | S | S | * | * | trans | -133.5 | 124.2 | 159 | -176.2 | 0 | 0 | 0 | 0 | 107.3 | G87 | G87-V89 PolarHBondContact O-N 3.11Š| ||
| 90 | A | 44.6 | Very low | 48.5 | Very low | 87 Ų | 87 | 128.2 Ų | 128.2 | 72% | 0.719 | 74% | 0.744 | S | S | * | * | trans | -63.7 | 140.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | A92 | A90-A92 PolarHBondContact O-N 3.24Å; A90-A92 VanDerWaalsContact O-N 3.08Å | ||
| 91 | P | 42.8 | Very low | 47.8 | Very low | 125 Ų | 125 | 129.3 Ų | 129.3 | 81% | 0.812 | 75% | 0.754 | S | S | * | * | trans | -66.7 | 114.3 | 176.4 | 27.5 | -32.9 | 0 | 0 | 0 | 109.1 | R93 | P91-R93 PolarHBondContact O-N 3.19Š| ||
| 92 | A | 47.6 | Very low | 47 | Very low | 90 Ų | 90 | 130.4 Ų | 130.4 | 74% | 0.744 | 76% | 0.763 | S | S | * | * | trans | -58 | 132.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109 | A90 M94 | A90-A92 PolarHBondContact O-N 3.24Å; A90-A92 VanDerWaalsContact O-N 3.08Å; A92-M94 PolarHBondContact O-N 2.91Å | ||
| 93 | R | 50 | Low | 46 | Very low | 249 Ų | 249 | 134.9 Ų | 134.9 | 94% | 0.94 | 78% | 0.784 | S | S | * | * | trans | -64 | 108.9 | 173.6 | -77.4 | -175.7 | 161.9 | 139.6 | -2.2 | 108.8 | P91 A95 | P91-R93 PolarHBondContact O-N 3.19Å; R93-A95 PolarHBondContact O-N 3.25Å | ||
| 94 | M | 46.2 | Very low | 45.7 | Very low | 178 Ų | 178 | 132.8 Ų | 132.8 | 88% | 0.877 | 79% | 0.787 | S | S | * | * | trans | -70.1 | 96.5 | 167.5 | -75.3 | -174.1 | 175.3 | 0 | 0 | 109 | A92 M96 | A92-M94 PolarHBondContact O-N 2.91Å; M94-M96 PolarHBondContact O-N 3.09Å | ||
| 95 | A | 46.7 | Very low | 44.8 | Very low | 94 Ų | 94 | 131.6 Ų | 131.6 | 78% | 0.777 | 79% | 0.789 | S | S | * | * | trans | -75.3 | 111.7 | 163.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | R93 P97 | R93-A95 PolarHBondContact O-N 3.25Å; A95-P97 WeakPolarHBondContact O-CD 3.39Å | ||
| 96 | M | 41.7 | Very low | 43.9 | Very low | 168 Ų | 168 | 133 Ų | 133 | 83% | 0.828 | 79% | 0.79 | S | S | * | * | trans | -81.6 | 119.7 | 172.7 | -67.5 | -81 | -80.3 | 0 | 0 | 108.6 | M94 M98 | M94-M96 PolarHBondContact O-N 3.09Å; M96-M98 PolarHBondContact O-N 2.93Å | ||
| 97 | P | 40.6 | Very low | 43.1 | Very low | 105 Ų | 105 | 135.5 Ų | 135.5 | 68% | 0.682 | 80% | 0.799 | S | S | * | * | trans | -73.9 | 118.9 | 175.1 | 29 | -32 | 0 | 0 | 0 | 110.2 | A95 N99 | A95-P97 WeakPolarHBondContact O-CD 3.39Å; P97-N99 VanDerWaalsContact C-N 3.26Å; P97-N99 PolarHBondContact O-N 3.32Å | ||
| 98 | M | 48.6 | Very low | 42.4 | Very low | 189 Ų | 189 | 138 Ų | 138 | 93% | 0.931 | 80% | 0.804 | S | S | * | * | trans | -75.5 | 78.5 | 166.8 | -81.9 | -71 | -67.5 | 0 | 0 | 109.6 | M96 | M96-M98 PolarHBondContact O-N 2.93Š| ||
| 99 | N | 44.1 | Very low | 41.8 | Very low | 149 Ų | 149 | 142 Ų | 142 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -90.2 | 127.9 | 168.3 | -84.3 | 31.8 | 0 | 0 | 0 | 110 | P97 | P97-N99 VanDerWaalsContact C-N 3.26Å; P97-N99 PolarHBondContact O-N 3.32Å |
| 100 | S | 43.8 | Very low | 41.1 | Very low | 113 Ų | 113 | 142.8 Ų | 142.8 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -63 | 143.7 | -174.8 | 49.1 | 0 | 0 | 0 | 0 | 113.7 | P102 | S100-P102 WeakPolarHBondContact O-CD 3.37Š|
| 101 | L | 43.4 | Very low | 40.6 | Very low | 170 Ų | 170 | 144.4 Ų | 144.4 | 89% | 0.89 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 126.8 | 170.2 | -136.8 | 84.9 | 0 | 0 | 0 | 111.5 | ||
| 102 | P | 40.2 | Very low | 40 | Very low | 118 Ų | 118 | 144.6 Ų | 144.6 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -88.8 | 153.6 | 155.1 | 33.9 | -28.1 | 0 | 0 | 0 | 110.6 | S100 | S100-P102 WeakPolarHBondContact O-CD 3.37Š|
| 103 | L | 38.5 | Very low | 39.2 | Very low | 160 Ų | 160 | 144.9 Ų | 144.9 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -93.9 | 160.7 | -168.1 | -159.1 | 133.7 | 0 | 0 | 0 | 112.6 | ||
| 104 | L | 45 | Very low | 38.4 | Very low | 155 Ų | 155 | 137.5 Ų | 137.5 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | trans | -30.9 | 142 | -179.7 | -81.7 | 94.9 | 0 | 0 | 0 | 118.7 | ||||
| 105 | A | 35 | Very low | 37.7 | Very low | 94 Ų | 94 | 138.3 Ų | 138.3 | 78% | 0.777 | 78% | 0.777 | S | S | * | * | -151.6 | 108 | 129.4 | 0 | 0 | 0 | 0 | 0 | 106.4 | |||||
| 106 | D | 32.1 | Very low | 37 | Very low | 123 Ų | 123 | 140.7 Ų | 140.7 | 66% | 0.658 | 78% | 0.782 | S | S | * | * | 84.8 | 109.4 | 73.2 | -165 | 19.6 | 0 | 0 | 0 | 112.7 | |||||
| 107 | F | 27.5 | Very low | 36.7 | Very low | 209 Ų | 209 | 138 Ų | 138 | 92% | 0.917 | 78% | 0.777 | S | S | * | * | trans | -151.4 | 99.8 | 160.5 | -83.8 | -67 | 0 | 0 | 0 | 107.7 | ||||
| 108 | T | 32.8 | Very low | 36.3 | Very low | 106 Ų | 106 | 141.1 Ų | 141.1 | 65% | 0.65 | 79% | 0.787 | S | S | * | * | trans | -60.1 | 162.6 | 152.8 | 55.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 109 | E | 38.3 | Very low | 35.9 | Very low | 166 Ų | 166 | 138.2 Ų | 138.2 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | cis | -148.1 | 158.5 | 31.3 | -70.1 | 170.9 | 131 | 0 | 0 | 112.4 | ||||
| 110 | D | 34.1 | Very low | 35.5 | Very low | 150 Ų | 150 | 139 Ų | 139 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | trans | 52.7 | 130.4 | 148.8 | -57.9 | -13.4 | 0 | 0 | 0 | 122.4 | ||||
| 111 | D | 32.9 | Very low | 35.1 | Very low | 121 Ų | 121 | 139.9 Ų | 139.9 | 65% | 0.647 | 78% | 0.776 | S | S | * | * | cis | -154.1 | 171.3 | -19.4 | -171 | 29.6 | 0 | 0 | 0 | 106.3 | S113 | D111-S113 PolarHBondContact OD2-N 3.06Å; D111-S113 VanDerWaalsContact OD2-N 3.15Å | ||
| 112 | T | 30.8 | Very low | 34.9 | Very low | 130 Ų | 130 | 138.8 Ų | 138.8 | 80% | 0.798 | 77% | 0.767 | S | S | * | * | -156.4 | 137.5 | 87.9 | -16.1 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 113 | S | 31.5 | Very low | 34.9 | Very low | 95 Ų | 95 | 140.6 Ų | 140.6 | 66% | 0.664 | 77% | 0.77 | S | S | * | * | trans | -37.5 | 146.3 | 157.3 | -92 | 0 | 0 | 0 | 0 | 115.3 | D111 | D111-S113 PolarHBondContact OD2-N 3.06Å; D111-S113 VanDerWaalsContact OD2-N 3.15Å | ||
| 114 | S | 32.3 | Very low | 35.1 | Very low | 94 Ų | 94 | 140.4 Ų | 140.4 | 66% | 0.657 | 77% | 0.768 | S | S | * | * | cis | -169.7 | 139.7 | -5.9 | 53 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 115 | K | 31.6 | Very low | 35.1 | Very low | 196 Ų | 196 | 136.3 Ų | 136.3 | 85% | 0.852 | 76% | 0.757 | S | S | * | * | trans | 52.8 | 111.2 | 140.5 | -62.6 | 174.3 | -178.7 | 172 | 0 | 121 | ||||
| 116 | T | 32.5 | Very low | 35.8 | Very low | 144 Ų | 144 | 139.8 Ų | 139.8 | 88% | 0.883 | 76% | 0.76 | S | S | * | * | -155.2 | 158.7 | 125.9 | 3.4 | 0 | 0 | 0 | 0 | 109 | |||||
| 117 | P | 34.4 | Very low | 36.8 | Very low | 112 Ų | 112 | 137.6 Ų | 137.6 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | trans | -79.5 | 149.9 | -155.2 | 31.4 | -36.5 | 0 | 0 | 0 | 114.2 | T119 | P117-T119 PolarHBondContact O-N 3.43Š| ||
| 118 | L | 33.2 | Very low | 38.3 | Very low | 170 Ų | 170 | 130 Ų | 130 | 89% | 0.89 | 72% | 0.724 | S | S | * | * | trans | -71 | 88.7 | 174.2 | -168.3 | 76.6 | 0 | 0 | 0 | 110.3 | K120 | L118-K120 PolarHBondContact O-N 2.91Š| ||
| 119 | T | 39.2 | Very low | 40.1 | Very low | 127 Ų | 127 | 130 Ų | 130 | 78% | 0.779 | 72% | 0.724 | S | S | * | * | trans | -62.2 | 110.1 | 152.2 | 19.9 | 0 | 0 | 0 | 0 | 106.7 | P117 V121 | P117-T119 PolarHBondContact O-N 3.43Å; T119-V121 PolarHBondContact O-N 3.27Å | ||
| 120 | K | 35.5 | Very low | 41.5 | Very low | 167 Ų | 167 | 128.6 Ų | 128.6 | 73% | 0.726 | 72% | 0.717 | S | S | * | * | trans | -43.2 | 116.2 | 168.4 | -170.1 | -178 | -175 | -170.6 | 0 | 107.8 | L118 E122 | L118-K120 PolarHBondContact O-N 2.91Å; K120-E122 HydrophobicContact CD-CG 4.5Å; K120-E122 PolarHBondContact O-N 3.41Å | ||
| 121 | V | 36.6 | Very low | 43.2 | Very low | 130 Ų | 130 | 128.7 Ų | 128.7 | 79% | 0.788 | 71% | 0.71 | S | S | * | * | trans | -67.9 | 91 | 162.7 | 179 | 0 | 0 | 0 | 0 | 104.2 | T119 D123 | T119-V121 PolarHBondContact O-N 3.27Å; V121-D123 PolarHBondContact O-N 3.34Å | ||
| 122 | E | 39.3 | Very low | 45 | Very low | 148 Ų | 148 | 128.1 Ų | 128.1 | 69% | 0.692 | 70% | 0.704 | S | S | * | * | trans | -53.3 | 135.3 | 163.5 | -66.2 | -175.5 | 136.5 | 0 | 0 | 106.7 | K120 I124 | K120-E122 HydrophobicContact CD-CG 4.5Å; K120-E122 PolarHBondContact O-N 3.41Å; E122-I124 PolarHBondContact O-N 3.28Å | ||
| 123 | D | 38.8 | Very low | 47 | Very low | 155 Ų | 155 | 125.2 Ų | 125.2 | 83% | 0.829 | 69% | 0.686 | S | S | * | * | trans | -42.4 | 128 | -180 | -61.4 | -75.7 | 0 | 0 | 0 | 108.6 | V121 A125 | V121-D123 PolarHBondContact O-N 3.34Å; D123-A125 WeakPolarHBondContact O-CA 3.44Å; D123-A125 PolarHBondContact O-N 3.38Å | ||
| 124 | I | 44.2 | Very low | 48.7 | Very low | 157 Ų | 157 | 125.7 Ų | 125.7 | 81% | 0.805 | 68% | 0.679 | S | S | * | * | trans | -54.1 | 101.7 | 176.4 | -65.3 | 173.4 | 0 | 0 | 0 | 105.2 | E122 I126 | E122-I124 PolarHBondContact O-N 3.28Å; I124-I126 PolarHBondContact O-N 2.99Å; I124-I126 VanDerWaalsContact O-N 3.1Å | ||
| 125 | A | 45.1 | Very low | 50.4 | Low | 69 Ų | 69 | 125.6 Ų | 125.6 | 57% | 0.57 | 67% | 0.671 | S | S | * | * | trans | -58.1 | 129.7 | -172 | 0 | 0 | 0 | 0 | 0 | 105.1 | D123 V127 | D123-A125 WeakPolarHBondContact O-CA 3.44Å; D123-A125 PolarHBondContact O-N 3.38Å; A125-V127 HydrophobicContact CB-CG2 4.36Å; A125-V127 PolarHBondContact O-N 3.49Å | ||
| 126 | I | 48.7 | Very low | 51.7 | Low | 166 Ų | 166 | 123.4 Ų | 123.4 | 85% | 0.851 | 67% | 0.666 | S | S | * | * | trans | -65.2 | 84.8 | 158.8 | -57.8 | 173.9 | 0 | 0 | 0 | 103.5 | I124 S128 | I124-I126 PolarHBondContact O-N 2.99Å; I124-I126 VanDerWaalsContact O-N 3.1Å; I126-S128 VanDerWaalsContact C-N 3.27Å; I126-S128 PolarHBondContact O-N 3.13Å | ||
| 127 | V | 53.2 | Low | 53.2 | Low | 77 Ų | 77 | 120 Ų | 120 | 47% | 0.467 | 64% | 0.641 | S | S | . | * | trans | -58 | 104.5 | 169.1 | -179.3 | 0 | 0 | 0 | 0 | 102.4 | A125 V129 Q132 | A125-V127 HydrophobicContact CB-CG2 4.36Å; A125-V127 PolarHBondContact O-N 3.49Å; V127-V129 PolarHBondContact O-N 3.44Å; V127-Q132 HydrophobicContact CG1-CB 3.93Å | ||
| 128 | S | 59.4 | Low | 54.4 | Low | 49 Ų | 49 | 121.6 Ų | 121.6 | 34% | 0.343 | 64% | 0.636 | S | S | . | * | trans | -48.6 | 125.1 | -178.6 | -179.5 | 0 | 0 | 0 | 0 | 106.3 | I126 E130 K131 Q132 | I126-S128 VanDerWaalsContact C-N 3.27Å; I126-S128 PolarHBondContact O-N 3.13Å; S128-E130 CarbonylContact O-C 3.53Å; S128-E130 PolarHBondContact O-N 3.26Å; S128-K131 WeakPolarHBondContact O-CA 3.49Å; S128-K131 WeakPolarHBondContact O-CB 3.46Å; S128-K131 PolarHBondContact O-N 3.32Å; S128-Q132 PolarHBondContact O-N 3.23Å; S128-Q132 VanDerWaalsContact O-N 3.16Å | ||
| 129 | V | 71.3 | Confident | 55.3 | Low | 108 Ų | 108 | 121.4 Ų | 121.4 | 66% | 0.655 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -53.4 | -34.5 | -173.1 | 176.9 | 0 | 0 | 0 | 0 | 109.8 | V127 Q132 V133 | V127-V129 PolarHBondContact O-N 3.44Å; V129-Q132 PolarHBondContact O-N 3.07Å; V129-V133 HydrophobicContact CG1-CG2 4.16Å; V129-V133 WeakPolarHBondContact O-CB 3.48Å; V129-V133 VanDerWaalsContact O-CG2 3.23Å; V129-V133 WeakPolarHBondContact O-CG2 3.36Å; V129-V133 PolarHBondContact O-N 3Å |
| 130 | E | 65.9 | Low | 56.5 | Low | 135 Ų | 135 | 119.4 Ų | 119.4 | 63% | 0.631 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -50.1 | -52.1 | 167.1 | -177.6 | -178.1 | -153.5 | 0 | 0 | 114.3 | S128 V133 M134 | S128-E130 CarbonylContact O-C 3.53Å; S128-E130 PolarHBondContact O-N 3.26Å; E130-V133 PolarHBondContact O-N 3.25Å; E130-M134 WeakPolarHBondContact O-CB 3.42Å; E130-M134 WeakPolarHBondContact O-CG 3.39Å; E130-M134 PolarHBondContact O-N 3.42Å |
| 131 | K | 69.7 | Low | 57.8 | Low | 152 Ų | 152 | 117.2 Ų | 117.2 | 66% | 0.661 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -64.3 | -40.4 | 177.5 | -71.7 | -173 | 177.4 | -176.8 | 0 | 111.7 | S128 D135 | S128-K131 WeakPolarHBondContact O-CA 3.49Å; S128-K131 WeakPolarHBondContact O-CB 3.46Å; S128-K131 PolarHBondContact O-N 3.32Å; K131-D135 VanDerWaalsContact O-CB 3.28Å; K131-D135 WeakPolarHBondContact O-CB 3.29Å; K131-D135 PolarHBondContact O-N 3.11Å |
| 132 | Q | 71.6 | Confident | 59.2 | Low | 109 Ų | 109 | 114.9 Ų | 114.9 | 51% | 0.509 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -68.6 | -39.6 | 178.6 | -168.3 | 171.4 | -2.5 | 0 | 0 | 111.9 | V127 S128 V129 D135 M136 | V127-Q132 HydrophobicContact CG1-CB 3.93Å; S128-Q132 PolarHBondContact O-N 3.23Å; S128-Q132 VanDerWaalsContact O-N 3.16Å; V129-Q132 PolarHBondContact O-N 3.07Å; Q132-D135 PolarHBondContact O-N 3.46Å; Q132-M136 WeakPolarHBondContact O-CG 3.43Å; Q132-M136 PolarHBondContact O-N 2.92Å |
| 133 | V | 73.5 | Confident | 60.7 | Low | 69 Ų | 69 | 109.7 Ų | 109.7 | 42% | 0.418 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -66.1 | -45.5 | 174.6 | 168.7 | 0 | 0 | 0 | 0 | 110.8 | V129 E130 D135 M136 M137 | V129-V133 HydrophobicContact CG1-CG2 4.16Å; V129-V133 WeakPolarHBondContact O-CB 3.48Å; V129-V133 VanDerWaalsContact O-CG2 3.23Å; V129-V133 WeakPolarHBondContact O-CG2 3.36Å; V129-V133 PolarHBondContact O-N 3Å; E130-V133 PolarHBondContact O-N 3.25Å; V133-D135 VanDerWaalsContact C-N 3.32Å; V133-D135 PolarHBondContact O-N 3.32Å; V133-M136 CarbonylContact O-C 3.57Å; V133-M136 PolarHBondContact O-N 3.32Å; V133-M137 HydrophobicContact CG1-CG 4.41Å; V133-M137 HydrophobicContact CG1-SD 3.66Å; V133-M137 WeakPolarHBondContact O-CB 3.36Å; V133-M137 VanDerWaalsContact O-CG 3.25Å; V133-M137 WeakPolarHBondContact O-CG 3.28Å; V133-M137 PolarHBondContact O-N 2.78Å |
| 134 | M | 66.9 | Low | 62.3 | Low | 105 Ų | 105 | 110 Ų | 110 | 52% | 0.517 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -63 | -36.2 | 175 | -72.2 | -65.5 | -155.3 | 0 | 0 | 112.5 | E130 M137 K138 L142 | E130-M134 WeakPolarHBondContact O-CB 3.42Å; E130-M134 WeakPolarHBondContact O-CG 3.39Å; E130-M134 PolarHBondContact O-N 3.42Å; M134-M137 PolarHBondContact O-N 2.89Å; M134-K138 PolarHBondContact O-N 2.85Å; M134-L142 HydrophobicContact CE-CD1 4.43Å; M134-L142 HydrophobicContact SD-CD1 4.18Å |
| 135 | D | 68.7 | Low | 63.8 | Low | 93 Ų | 93 | 106.9 Ų | 106.9 | 50% | 0.497 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -66.9 | -36.4 | 175.6 | -157.3 | 81.3 | 0 | 0 | 0 | 112.2 | K131 Q132 V133 M137 K138 | K131-D135 VanDerWaalsContact O-CB 3.28Å; K131-D135 WeakPolarHBondContact O-CB 3.29Å; K131-D135 PolarHBondContact O-N 3.11Å; Q132-D135 PolarHBondContact O-N 3.46Å; V133-D135 VanDerWaalsContact C-N 3.32Å; V133-D135 PolarHBondContact O-N 3.32Å; D135-M137 VanDerWaalsContact C-N 3.32Å; D135-K138 VanDerWaalsContact O-CD 3.32Å; D135-K138 WeakPolarHBondContact O-CD 3.33Å; D135-K138 VanDerWaalsContact O-CG 3.31Å; D135-K138 WeakPolarHBondContact O-CG 3.06Å; D135-K138 WeakPolarHBondContact OD1-CE 3.24Å; D135-K138 IonicContact OD1-NZ 2.62Å; D135-K138 PolarHBondContact OD1-NZ 3.34Å; D135-K138 IonicContact OD2-NZ 2.95Å; D135-K138 PolarHBondContact OD2-NZ 3.02Å |
| 136 | M | 57.8 | Low | 65.4 | Low | 150 Ų | 150 | 109.7 Ų | 109.7 | 74% | 0.739 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -76.5 | -14.6 | 172.9 | -70.3 | -178.6 | 65.8 | 0 | 0 | 114 | Q132 V133 | Q132-M136 WeakPolarHBondContact O-CG 3.43Å; Q132-M136 PolarHBondContact O-N 2.92Å; V133-M136 CarbonylContact O-C 3.57Å; V133-M136 PolarHBondContact O-N 3.32Å |
| 137 | M | 64.3 | Low | 67 | Low | 73 Ų | 73 | 108.3 Ų | 108.3 | 36% | 0.36 | 56% | 0.563 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -102.9 | 15.9 | 179.9 | -72.4 | -179.3 | 65.3 | 0 | 0 | 113.4 | V133 M134 D135 D139 V140 L142 | V133-M137 HydrophobicContact CG1-CG 4.41Å; V133-M137 HydrophobicContact CG1-SD 3.66Å; V133-M137 WeakPolarHBondContact O-CB 3.36Å; V133-M137 VanDerWaalsContact O-CG 3.25Å; V133-M137 WeakPolarHBondContact O-CG 3.28Å; V133-M137 PolarHBondContact O-N 2.78Å; M134-M137 PolarHBondContact O-N 2.89Å; D135-M137 VanDerWaalsContact C-N 3.32Å; M137-D139 PolarHBondContact O-N 2.97Å; M137-V140 PolarHBondContact O-N 3.41Å; M137-L142 HydrophobicContact CE-CD1 4.07Å |
| 138 | K | 59.1 | Low | 68.6 | Low | 144 Ų | 144 | 109.1 Ų | 109.1 | 63% | 0.626 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.4 | -25.6 | -176.9 | -86.1 | 170.7 | -179.3 | 153.4 | 0 | 115.8 | M134 D135 V140 | M134-K138 PolarHBondContact O-N 2.85Å; D135-K138 VanDerWaalsContact O-CD 3.32Å; D135-K138 WeakPolarHBondContact O-CD 3.33Å; D135-K138 VanDerWaalsContact O-CG 3.31Å; D135-K138 WeakPolarHBondContact O-CG 3.06Å; D135-K138 WeakPolarHBondContact OD1-CE 3.24Å; D135-K138 IonicContact OD1-NZ 2.62Å; D135-K138 PolarHBondContact OD1-NZ 3.34Å; D135-K138 IonicContact OD2-NZ 2.95Å; D135-K138 PolarHBondContact OD2-NZ 3.02Å; K138-V140 VanDerWaalsContact C-N 3.34Å |
| 139 | D | 53.4 | Low | 70 | Confident | 166 Ų | 166 | 113.7 Ų | 113.7 | 89% | 0.888 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -3.7 | -179.9 | -57.2 | -37.6 | 0 | 0 | 0 | 113.6 | M137 | M137-D139 PolarHBondContact O-N 2.97Š|
| 140 | V | 63.6 | Low | 70.6 | Confident | 86 Ų | 86 | 114.3 Ų | 114.3 | 52% | 0.521 | 58% | 0.582 | S | S | . | * | trans | -111.3 | 106 | -178 | -175.8 | 0 | 0 | 0 | 0 | 110.8 | M137 K138 L142 | M137-V140 PolarHBondContact O-N 3.41Å; K138-V140 VanDerWaalsContact C-N 3.34Å; V140-L142 HydrophobicContact CG1-CG 4.43Å; V140-L142 PolarHBondContact O-N 3.32Å | ||
| 141 | S | 62.2 | Low | 71.5 | Confident | 121 Ų | 121 | 109.2 Ų | 109.2 | 85% | 0.846 | 56% | 0.563 | S | S | * | * | trans | -73.6 | 87 | 174.9 | 59.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 142 | L | 66.9 | Low | 72.3 | Confident | 80 Ų | 80 | 103 Ų | 103 | 42% | 0.419 | 54% | 0.537 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 131.2 | 173.2 | -74.9 | 152 | 0 | 0 | 0 | 111 | M134 M137 V140 F145 | M134-L142 HydrophobicContact CE-CD1 4.43Å; M134-L142 HydrophobicContact SD-CD1 4.18Å; M137-L142 HydrophobicContact CE-CD1 4.07Å; V140-L142 HydrophobicContact CG1-CG 4.43Å; V140-L142 PolarHBondContact O-N 3.32Å; L142-F145 HydrophobicContact CD2-CE2 4.12Å; L142-F145 HydrophobicContact CD2-CZ 4.17Å |
| 143 | P | 70.6 | Confident | 72.9 | Confident | 39 Ų | 39 | 99.3 Ų | 99.3 | 25% | 0.253 | 52% | 0.52 | S | S | . | . | P | Polyproline II helix | trans | -71.5 | 160.2 | 174.1 | 30.2 | -34.3 | 0 | 0 | 0 | 111.5 | F145 L156 | P143-F145 HydrophobicContact CG-CE1 3.92Å; P143-F145 HydrophobicContact CG-CZ 4.09Å; P143-F145 PolarHBondContact O-N 2.92Å; P143-L156 HydrophobicContact CG-CD1 3.71Å |
| 144 | Q | 71.3 | Confident | 73.5 | Confident | 161 Ų | 161 | 103.5 Ų | 103.5 | 75% | 0.752 | 53% | 0.529 | S | S | * | . | P | Polyproline II helix | trans | -71.9 | 129.7 | 176.6 | -72.2 | -163.1 | 1.1 | 0 | 0 | 112 | N146 | Q144-N146 PolarHBondContact O-N 3.06Å; Q144-N146 PolarHBondContact OE1-ND2 2.69Å |
| 145 | F | 77.2 | Confident | 74.4 | Confident | 92 Ų | 92 | 100.9 Ų | 100.9 | 40% | 0.404 | 52% | 0.521 | S | S | . | . | trans | -100.6 | 65.5 | -176.5 | -61.4 | -55.8 | 0 | 0 | 0 | 111.8 | L142 P143 N152 L156 | L142-F145 HydrophobicContact CD2-CE2 4.12Å; L142-F145 HydrophobicContact CD2-CZ 4.17Å; P143-F145 HydrophobicContact CG-CE1 3.92Å; P143-F145 HydrophobicContact CG-CZ 4.09Å; P143-F145 PolarHBondContact O-N 2.92Å; F145-N152 WeakPolarHBondContact CA-OD1 3.45Å; F145-N152 HydrophobicContact CB-CB 4.47Å; F145-N152 HydrophobicContact CD1-CB 3.77Å; F145-L156 HydrophobicContact CE1-CD1 4.15Å; F145-L156 HydrophobicContact CE1-CD2 4.44Å; F145-L156 HydrophobicContact CZ-CD1 4.18Å; F145-L156 HydrophobicContact CZ-CD2 4.4Å | ||
| 146 | N | 77.8 | Confident | 75.1 | Confident | 129 Ų | 129 | 97.1 Ų | 97.1 | 69% | 0.69 | 50% | 0.501 | S | S | * | . | trans | -89.1 | -7.5 | -174.2 | -61.9 | -19.4 | 0 | 0 | 0 | 113.7 | Q144 | Q144-N146 PolarHBondContact O-N 3.06Å; Q144-N146 PolarHBondContact OE1-ND2 2.69Å | ||
| 147 | E | 81.9 | Confident | 76.4 | Confident | 136 Ų | 136 | 94.8 Ų | 94.8 | 64% | 0.636 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -99 | -175 | -178.9 | -74.4 | -68.7 | 165.9 | 0 | 0 | 112.6 | A151 N152 | E147-A151 HydrophobicContact CB-CB 3.86Å; E147-N152 WeakPolarHBondContact CB-OD1 3.29Å; E147-N152 PolarHBondContact N-OD1 2.8Å; E147-N152 PolarHBondContact O-ND2 2.88Å |
| 148 | T | 88.5 | Confident | 77.3 | Confident | 95 Ų | 95 | 98.7 Ų | 98.7 | 58% | 0.583 | 51% | 0.505 | S | S | * | . | trans | -60.5 | 150.4 | 168.9 | 66.4 | 0 | 0 | 0 | 0 | 111.8 | L150 A151 N152 | T148-L150 VanDerWaalsContact C-N 3.26Å; T148-L150 PolarHBondContact O-N 3.45Å; T148-L150 VanDerWaalsContact O-N 3.13Å; T148-A151 PolarHBondContact O-N 2.93Å; T148-A151 WeakPolarHBondContact OG1-CB 3.31Å; T148-A151 PolarHBondContact OG1-N 3.12Å; T148-N152 PolarHBondContact O-N 2.93Å; T148-N152 PolarHBondContact O-ND2 3.12Å | ||
| 149 | F | 86.9 | Confident | 78.4 | Confident | 144 Ų | 144 | 97.5 Ų | 97.5 | 63% | 0.632 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -49.3 | -42.4 | 179.4 | 177 | -106.5 | 0 | 0 | 0 | 113.8 | L153 | F149-L153 HydrophobicContact CD1-CD1 3.96Å; F149-L153 HydrophobicContact CE1-CD1 3.39Å; F149-L153 HydrophobicContact CE1-CG 4.24Å; F149-L153 HydrophobicContact CE2-CD1 4.19Å; F149-L153 HydrophobicContact CE2-CG 4.24Å; F149-L153 HydrophobicContact CZ-CD1 3.53Å; F149-L153 HydrophobicContact CZ-CD2 4.44Å; F149-L153 HydrophobicContact CZ-CG 4.07Å; F149-L153 WeakPolarHBondContact O-CB 3.26Å; F149-L153 WeakPolarHBondContact O-CG 3.45Å; F149-L153 PolarHBondContact O-N 2.77Å |
| 150 | L | 85.9 | Confident | 79.8 | Confident | 121 Ų | 121 | 92.4 Ų | 92.4 | 63% | 0.634 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -71.8 | -32.8 | 178.5 | -65.8 | 178.2 | 0 | 0 | 0 | 113.3 | T148 R154 | T148-L150 VanDerWaalsContact C-N 3.26Å; T148-L150 PolarHBondContact O-N 3.45Å; T148-L150 VanDerWaalsContact O-N 3.13Å; L150-R154 WeakPolarHBondContact O-CB 3.22Å; L150-R154 PolarHBondContact O-N 2.93Å; L150-R154 VanDerWaalsContact O-N 3.09Å |
| 151 | A | 83.4 | Confident | 80.9 | Confident | 29 Ų | 29 | 93.4 Ų | 93.4 | 24% | 0.24 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -72.1 | -42.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | E147 T148 R154 S155 | E147-A151 HydrophobicContact CB-CB 3.86Å; T148-A151 PolarHBondContact O-N 2.93Å; T148-A151 WeakPolarHBondContact OG1-CB 3.31Å; T148-A151 PolarHBondContact OG1-N 3.12Å; A151-R154 PolarHBondContact O-N 3.49Å; A151-S155 PolarHBondContact O-N 3.26Å |
| 152 | N | 85.9 | Confident | 82 | Confident | 21 Ų | 21 | 94.9 Ų | 94.9 | 11% | 0.112 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -57.2 | -48.1 | 171.9 | -71.9 | -29.7 | 0 | 0 | 0 | 111.5 | F145 E147 T148 R154 S155 L156 | F145-N152 WeakPolarHBondContact CA-OD1 3.45Å; F145-N152 HydrophobicContact CB-CB 4.47Å; F145-N152 HydrophobicContact CD1-CB 3.77Å; E147-N152 WeakPolarHBondContact CB-OD1 3.29Å; E147-N152 PolarHBondContact N-OD1 2.8Å; E147-N152 PolarHBondContact O-ND2 2.88Å; T148-N152 PolarHBondContact O-N 2.93Å; T148-N152 PolarHBondContact O-ND2 3.12Å; N152-R154 PolarHBondContact O-N 2.76Å; N152-S155 PolarHBondContact O-N 2.89Å; N152-L156 WeakPolarHBondContact O-CB 3.5Å; N152-L156 PolarHBondContact O-N 2.71Å |
| 153 | L | 85.4 | Confident | 83 | Confident | 31 Ų | 31 | 94.9 Ų | 94.9 | 16% | 0.162 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -60.2 | -42.2 | 175.6 | -79.5 | -179.9 | 0 | 0 | 0 | 112.7 | F149 S155 L156 Q157 W165 F168 M172 | F149-L153 HydrophobicContact CD1-CD1 3.96Å; F149-L153 HydrophobicContact CE1-CD1 3.39Å; F149-L153 HydrophobicContact CE1-CG 4.24Å; F149-L153 HydrophobicContact CE2-CD1 4.19Å; F149-L153 HydrophobicContact CE2-CG 4.24Å; F149-L153 HydrophobicContact CZ-CD1 3.53Å; F149-L153 HydrophobicContact CZ-CD2 4.44Å; F149-L153 HydrophobicContact CZ-CG 4.07Å; F149-L153 WeakPolarHBondContact O-CB 3.26Å; F149-L153 WeakPolarHBondContact O-CG 3.45Å; F149-L153 PolarHBondContact O-N 2.77Å; L153-S155 VanDerWaalsContact C-N 3.33Å; L153-L156 PolarHBondContact O-N 3.4Å; L153-Q157 WeakPolarHBondContact O-CB 3.39Å; L153-Q157 PolarHBondContact O-N 3.41Å; L153-W165 HydrophobicContact CD2-CH2 4.34Å; L153-W165 WeakPolarHBondContact O-CH2 3.5Å; L153-F168 HydrophobicContact CD2-CE1 3.73Å; L153-F168 HydrophobicContact CD2-CZ 4Å; L153-M172 HydrophobicContact CD2-CE 4.43Å; L153-M172 HydrophobicContact CD2-SD 4.06Å |
| 154 | R | 85.4 | Confident | 83.6 | Confident | 158 Ų | 158 | 97.8 Ų | 97.8 | 60% | 0.596 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -65.8 | -36.9 | 177.3 | -170.5 | -174.6 | -62.7 | 133.2 | 0.2 | 112 | L150 A151 N152 Q158 | L150-R154 WeakPolarHBondContact O-CB 3.22Å; L150-R154 PolarHBondContact O-N 2.93Å; L150-R154 VanDerWaalsContact O-N 3.09Å; A151-R154 PolarHBondContact O-N 3.49Å; N152-R154 PolarHBondContact O-N 2.76Å; R154-Q158 WeakPolarHBondContact O-CG 3.44Å |
| 155 | S | 85.4 | Confident | 84.4 | Confident | 50 Ų | 50 | 91 Ų | 91 | 35% | 0.35 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -66.9 | -42.9 | 174 | -162.3 | 0 | 0 | 0 | 0 | 111.2 | A151 N152 L153 Q157 Q158 Q159 | A151-S155 PolarHBondContact O-N 3.26Å; N152-S155 PolarHBondContact O-N 2.89Å; L153-S155 VanDerWaalsContact C-N 3.33Å; S155-Q157 VanDerWaalsContact C-N 3.34Å; S155-Q157 PolarHBondContact O-N 2.91Å; S155-Q158 PolarHBondContact O-N 3.02Å; S155-Q159 WeakPolarHBondContact O-CG 3.36Å; S155-Q159 PolarHBondContact O-N 2.89Å; S155-Q159 PolarHBondContact OG-NE2 3.31Å; S155-Q159 VanDerWaalsContact OG-NE2 3.08Å |
| 156 | L | 83.8 | Confident | 84.9 | Confident | 14 Ų | 14 | 91.3 Ų | 91.3 | 7% | 0.073 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -62.7 | -39 | 177.9 | -163.7 | 66.6 | 0 | 0 | 0 | 112.1 | P143 F145 N152 L153 Q158 Q159 I160 W165 F168 | P143-L156 HydrophobicContact CG-CD1 3.71Å; F145-L156 HydrophobicContact CE1-CD1 4.15Å; F145-L156 HydrophobicContact CE1-CD2 4.44Å; F145-L156 HydrophobicContact CZ-CD1 4.18Å; F145-L156 HydrophobicContact CZ-CD2 4.4Å; N152-L156 WeakPolarHBondContact O-CB 3.5Å; N152-L156 PolarHBondContact O-N 2.71Å; L153-L156 PolarHBondContact O-N 3.4Å; L156-Q158 PolarHBondContact O-N 3.47Å; L156-Q159 PolarHBondContact O-N 3.36Å; L156-I160 HydrophobicContact CD1-CD1 3.57Å; L156-I160 HydrophobicContact CD1-CG1 4.02Å; L156-I160 HydrophobicContact CD2-CD1 4.29Å; L156-I160 HydrophobicContact CG-CD1 3.68Å; L156-I160 HydrophobicContact CG-CG1 4.24Å; L156-I160 PolarHBondContact O-N 2.94Å; L156-I160 VanDerWaalsContact O-N 3.11Å; L156-W165 HydrophobicContact CB-CZ3 3.95Å; L156-W165 HydrophobicContact CD2-CZ3 4.08Å; L156-W165 HydrophobicContact CG-CZ3 3.95Å; L156-F168 HydrophobicContact CD2-CE1 3.98Å; L156-F168 HydrophobicContact CD2-CZ 4.18Å |
| 157 | Q | 85.3 | Confident | 85.4 | Confident | 101 Ų | 101 | 90.7 Ų | 90.7 | 47% | 0.472 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -58.2 | -29.3 | 173 | -175.5 | 173.8 | 22.5 | 0 | 0 | 113.3 | L153 S155 W165 | L153-Q157 WeakPolarHBondContact O-CB 3.39Å; L153-Q157 PolarHBondContact O-N 3.41Å; S155-Q157 VanDerWaalsContact C-N 3.34Å; S155-Q157 PolarHBondContact O-N 2.91Å; Q157-W165 HydrophobicContact CB-CD2 4.11Å; Q157-W165 HydrophobicContact CB-CE3 4.25Å; Q157-W165 HydrophobicContact CB-CH2 3.75Å; Q157-W165 HydrophobicContact CB-CZ2 3.6Å; Q157-W165 HydrophobicContact CB-CZ3 4.08Å; Q157-W165 HydrophobicContact CG-CD2 4.12Å; Q157-W165 HydrophobicContact CG-CZ2 3.88Å |
| 158 | Q | 83.3 | Confident | 85.8 | Confident | 155 Ų | 155 | 87 Ų | 87 | 72% | 0.724 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -90.4 | -14.8 | -178.8 | -68 | 177.5 | -23.1 | 0 | 0 | 113.4 | R154 S155 L156 | R154-Q158 WeakPolarHBondContact O-CG 3.44Å; S155-Q158 PolarHBondContact O-N 3.02Å; L156-Q158 PolarHBondContact O-N 3.47Å |
| 159 | Q | 82.4 | Confident | 85.8 | Confident | 118 Ų | 118 | 85.5 Ų | 85.5 | 55% | 0.551 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -105.9 | -22.6 | -175.2 | -67.4 | 178.2 | 30.4 | 0 | 0 | 113.7 | S155 L156 | S155-Q159 WeakPolarHBondContact O-CG 3.36Å; S155-Q159 PolarHBondContact O-N 2.89Å; S155-Q159 PolarHBondContact OG-NE2 3.31Å; S155-Q159 VanDerWaalsContact OG-NE2 3.08Å; L156-Q159 PolarHBondContact O-N 3.36Å |
| 160 | I | 82.8 | Confident | 86.1 | Confident | 59 Ų | 59 | 81.3 Ų | 81.3 | 30% | 0.303 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -96.3 | 148.9 | -178.7 | -67.4 | -169.8 | 0 | 0 | 0 | 110.9 | L156 E164 W165 | L156-I160 HydrophobicContact CD1-CD1 3.57Å; L156-I160 HydrophobicContact CD1-CG1 4.02Å; L156-I160 HydrophobicContact CD2-CD1 4.29Å; L156-I160 HydrophobicContact CG-CD1 3.68Å; L156-I160 HydrophobicContact CG-CG1 4.24Å; L156-I160 PolarHBondContact O-N 2.94Å; L156-I160 VanDerWaalsContact O-N 3.11Å; I160-E164 HydrophobicContact CG2-CB 3.41Å; I160-E164 VanDerWaalsContact CG2-CB 3.41Å; I160-W165 HydrophobicContact CG2-CB 4.27Å |
| 161 | N | 86.2 | Confident | 86.4 | Confident | 108 Ų | 108 | 82.8 Ų | 82.8 | 58% | 0.578 | 41% | 0.407 | S | S | * | . | trans | -63.3 | 145 | 176.7 | -61.3 | -68.4 | 0 | 0 | 0 | 111.9 | S163 E164 W165 | N161-S163 VanDerWaalsContact C-N 3.26Å; N161-S163 PolarHBondContact O-N 2.75Å; N161-S163 VanDerWaalsContact O-N 3.1Å; N161-E164 HydrophobicContact CB-CG 4.39Å; N161-E164 WeakPolarHBondContact CB-OE2 3.38Å; N161-E164 PolarHBondContact ND2-OE2 3.03Å; N161-E164 PolarHBondContact O-N 2.67Å; N161-W165 WeakPolarHBondContact O-CB 3.35Å; N161-W165 PolarHBondContact O-N 2.93Å | ||
| 162 | E | 86.4 | Confident | 86.7 | Confident | 151 Ų | 151 | 83.2 Ų | 83.2 | 71% | 0.706 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -45.8 | -44.9 | 178.9 | -82.9 | -89.5 | 175.3 | 0 | 0 | 113.6 | W165 K166 | E162-W165 PolarHBondContact O-N 3.43Å; E162-K166 WeakPolarHBondContact O-CB 3.32Å; E162-K166 WeakPolarHBondContact O-CG 3.42Å; E162-K166 PolarHBondContact O-N 3Å |
| 163 | S | 87.6 | Confident | 86.9 | Confident | 80 Ų | 80 | 89.4 Ų | 89.4 | 56% | 0.559 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -66.1 | -44.1 | -179.9 | 49.8 | 0 | 0 | 0 | 0 | 113.3 | N161 K166 N167 | N161-S163 VanDerWaalsContact C-N 3.26Å; N161-S163 PolarHBondContact O-N 2.75Å; N161-S163 VanDerWaalsContact O-N 3.1Å; S163-K166 PolarHBondContact O-N 2.99Å; S163-N167 PolarHBondContact O-N 3.12Å; S163-N167 VanDerWaalsContact O-N 3.11Å; S163-N167 PolarHBondContact O-ND2 3.03Å |
| 164 | E | 83.4 | Confident | 87.1 | Confident | 101 Ų | 101 | 95 Ų | 95 | 47% | 0.472 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -68 | -40.1 | 177.7 | -66.9 | 171.9 | 146.9 | 0 | 0 | 110.6 | I160 N161 N167 F168 | I160-E164 HydrophobicContact CG2-CB 3.41Å; I160-E164 VanDerWaalsContact CG2-CB 3.41Å; N161-E164 HydrophobicContact CB-CG 4.39Å; N161-E164 WeakPolarHBondContact CB-OE2 3.38Å; N161-E164 PolarHBondContact ND2-OE2 3.03Å; N161-E164 PolarHBondContact O-N 2.67Å; E164-N167 WeakPolarHBondContact O-CB 3.27Å; E164-N167 PolarHBondContact O-N 2.79Å; E164-F168 WeakPolarHBondContact O-CB 3.4Å; E164-F168 PolarHBondContact O-N 3.42Å |
| 165 | W | 88.3 | Confident | 87.4 | Confident | 18 Ų | 18 | 93.1 Ų | 93.1 | 7% | 0.068 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -62.5 | -42.3 | 174 | -175.6 | -102.3 | 0 | 0 | 0 | 112.1 | L153 L156 Q157 I160 N161 E162 N167 F168 E169 | L153-W165 HydrophobicContact CD2-CH2 4.34Å; L153-W165 WeakPolarHBondContact O-CH2 3.5Å; L156-W165 HydrophobicContact CB-CZ3 3.95Å; L156-W165 HydrophobicContact CD2-CZ3 4.08Å; L156-W165 HydrophobicContact CG-CZ3 3.95Å; Q157-W165 HydrophobicContact CB-CD2 4.11Å; Q157-W165 HydrophobicContact CB-CE3 4.25Å; Q157-W165 HydrophobicContact CB-CH2 3.75Å; Q157-W165 HydrophobicContact CB-CZ2 3.6Å; Q157-W165 HydrophobicContact CB-CZ3 4.08Å; Q157-W165 HydrophobicContact CG-CD2 4.12Å; Q157-W165 HydrophobicContact CG-CZ2 3.88Å; I160-W165 HydrophobicContact CG2-CB 4.27Å; N161-W165 WeakPolarHBondContact O-CB 3.35Å; N161-W165 PolarHBondContact O-N 2.93Å; E162-W165 PolarHBondContact O-N 3.43Å; W165-N167 VanDerWaalsContact C-N 3.34Å; W165-N167 PolarHBondContact O-N 3.27Å; W165-F168 HydrophobicContact CD2-CD1 4.5Å; W165-F168 AromaticContact CE3-CD1 3.8Å; W165-F168 HydrophobicContact CE3-CD1 3.8Å; W165-F168 HydrophobicContact CE3-CE1 4.42Å; W165-F168 AromaticContact CH2-CD1 3.97Å; W165-F168 HydrophobicContact CH2-CD1 3.97Å; W165-F168 AromaticContact CH2-CE1 3.92Å; W165-F168 HydrophobicContact CH2-CE1 3.92Å; W165-F168 AromaticContact CZ3-CD1 3.51Å; W165-F168 HydrophobicContact CZ3-CD1 3.51Å; W165-F168 AromaticContact CZ3-CE1 3.67Å; W165-F168 HydrophobicContact CZ3-CE1 3.67Å; W165-F168 PolarHBondContact O-N 3.33Å; W165-E169 HydrophobicContact CZ2-CG 4.34Å; W165-E169 VanDerWaalsContact NE1-CD 3.27Å; W165-E169 PolarHBondContact NE1-OE1 3.01Å; W165-E169 PolarHBondContact O-N 3.5Å |
| 166 | K | 87.9 | Confident | 87.6 | Confident | 98 Ų | 98 | 95.4 Ų | 95.4 | 43% | 0.426 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -65.4 | -34.6 | 175.7 | -69.8 | -70.9 | 155.3 | -152.3 | 0 | 113 | E162 S163 E169 S170 | E162-K166 WeakPolarHBondContact O-CB 3.32Å; E162-K166 WeakPolarHBondContact O-CG 3.42Å; E162-K166 PolarHBondContact O-N 3Å; S163-K166 PolarHBondContact O-N 2.99Å; K166-E169 WeakPolarHBondContact CD-OE2 3.35Å; K166-E169 IonicContact NZ-OE1 2.69Å; K166-E169 IonicContact NZ-OE2 3.68Å; K166-E169 PolarHBondContact NZ-OE2 3.28Å; K166-S170 WeakPolarHBondContact O-CB 3.36Å; K166-S170 PolarHBondContact O-N 2.99Å; K166-S170 PolarHBondContact O-OG 3.03Å |
| 167 | N | 88 | Confident | 87.9 | Confident | 116 Ų | 116 | 99 Ų | 99 | 62% | 0.62 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -65.9 | -43.1 | 171.6 | -71.7 | -25.2 | 0 | 0 | 0 | 111.2 | S163 E164 W165 S170 W171 | S163-N167 PolarHBondContact O-N 3.12Å; S163-N167 VanDerWaalsContact O-N 3.11Å; S163-N167 PolarHBondContact O-ND2 3.03Å; E164-N167 WeakPolarHBondContact O-CB 3.27Å; E164-N167 PolarHBondContact O-N 2.79Å; W165-N167 VanDerWaalsContact C-N 3.34Å; W165-N167 PolarHBondContact O-N 3.27Å; N167-S170 PolarHBondContact O-N 3.36Å; N167-W171 WeakPolarHBondContact O-CB 3.35Å; N167-W171 PolarHBondContact O-N 3.49Å |
| 168 | F | 89.6 | Confident | 88 | Confident | 58 Ų | 58 | 99.7 Ų | 99.7 | 25% | 0.254 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -65.8 | -45 | 176.8 | 178.1 | -114.1 | 0 | 0 | 0 | 113 | L153 L156 E164 W165 S170 W171 M172 | L153-F168 HydrophobicContact CD2-CE1 3.73Å; L153-F168 HydrophobicContact CD2-CZ 4Å; L156-F168 HydrophobicContact CD2-CE1 3.98Å; L156-F168 HydrophobicContact CD2-CZ 4.18Å; E164-F168 WeakPolarHBondContact O-CB 3.4Å; E164-F168 PolarHBondContact O-N 3.42Å; W165-F168 HydrophobicContact CD2-CD1 4.5Å; W165-F168 AromaticContact CE3-CD1 3.8Å; W165-F168 HydrophobicContact CE3-CD1 3.8Å; W165-F168 HydrophobicContact CE3-CE1 4.42Å; W165-F168 AromaticContact CH2-CD1 3.97Å; W165-F168 HydrophobicContact CH2-CD1 3.97Å; W165-F168 AromaticContact CH2-CE1 3.92Å; W165-F168 HydrophobicContact CH2-CE1 3.92Å; W165-F168 AromaticContact CZ3-CD1 3.51Å; W165-F168 HydrophobicContact CZ3-CD1 3.51Å; W165-F168 AromaticContact CZ3-CE1 3.67Å; W165-F168 HydrophobicContact CZ3-CE1 3.67Å; W165-F168 PolarHBondContact O-N 3.33Å; F168-S170 VanDerWaalsContact C-N 3.3Å; F168-S170 PolarHBondContact O-N 2.96Å; F168-W171 HydrophobicContact CD2-CE3 4.06Å; F168-W171 HydrophobicContact CD2-CZ3 4.45Å; F168-W171 HydrophobicContact CE2-CE3 4.05Å; F168-W171 AromaticContact CE2-CZ3 4Å; F168-W171 HydrophobicContact CE2-CZ3 4Å; F168-W171 PolarHBondContact O-N 3.38Å; F168-M172 HydrophobicContact CD1-CE 3.53Å; F168-M172 HydrophobicContact CD1-SD 4.19Å; F168-M172 HydrophobicContact CD2-CG 4.3Å; F168-M172 HydrophobicContact CE1-CE 3.3Å; F168-M172 HydrophobicContact CE1-CG 4.22Å; F168-M172 HydrophobicContact CE1-SD 3.48Å; F168-M172 WeakPolarHBondContact CE1-SD 3.45Å; F168-M172 HydrophobicContact CE2-CG 3.92Å; F168-M172 HydrophobicContact CE2-SD 4.1Å; F168-M172 HydrophobicContact CG-CE 4.31Å; F168-M172 HydrophobicContact CZ-CE 3.91Å; F168-M172 HydrophobicContact CZ-CG 3.88Å; F168-M172 HydrophobicContact CZ-SD 3.42Å; F168-M172 WeakPolarHBondContact CZ-SD 3.44Å; F168-M172 WeakPolarHBondContact O-CB 3.48Å; F168-M172 WeakPolarHBondContact O-CG 3.49Å; F168-M172 PolarHBondContact O-N 2.77Å |
| 169 | E | 89.6 | Confident | 88.1 | Confident | 64 Ų | 64 | 95.5 Ų | 95.5 | 30% | 0.299 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -56 | -45 | 171.7 | -78.3 | -177.3 | 166.4 | 0 | 0 | 111.6 | W165 K166 M172 R173 | W165-E169 HydrophobicContact CZ2-CG 4.34Å; W165-E169 VanDerWaalsContact NE1-CD 3.27Å; W165-E169 PolarHBondContact NE1-OE1 3.01Å; W165-E169 PolarHBondContact O-N 3.5Å; K166-E169 WeakPolarHBondContact CD-OE2 3.35Å; K166-E169 IonicContact NZ-OE1 2.69Å; K166-E169 IonicContact NZ-OE2 3.68Å; K166-E169 PolarHBondContact NZ-OE2 3.28Å; E169-M172 PolarHBondContact O-N 3.06Å; E169-R173 VanDerWaalsContact O-CB 3.31Å; E169-R173 WeakPolarHBondContact O-CB 3.49Å; E169-R173 PolarHBondContact O-N 2.76Å |
| 170 | S | 91.8 | Very high | 87.9 | Confident | 57 Ų | 57 | 95.9 Ų | 95.9 | 40% | 0.399 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -64.3 | -46.7 | 178.5 | -62 | 0 | 0 | 0 | 0 | 111.3 | K166 N167 F168 R173 Y174 | K166-S170 WeakPolarHBondContact O-CB 3.36Å; K166-S170 PolarHBondContact O-N 2.99Å; K166-S170 PolarHBondContact O-OG 3.03Å; N167-S170 PolarHBondContact O-N 3.36Å; F168-S170 VanDerWaalsContact C-N 3.3Å; F168-S170 PolarHBondContact O-N 2.96Å; S170-R173 PolarHBondContact O-N 3.04Å; S170-Y174 WeakPolarHBondContact O-CD2 3.42Å; S170-Y174 PolarHBondContact O-N 3.21Å |
| 171 | W | 92.3 | Very high | 87.6 | Confident | 151 Ų | 151 | 97 Ų | 97 | 57% | 0.572 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -60.1 | -48.4 | 175.8 | 174.8 | 85.5 | 0 | 0 | 0 | 111.7 | N167 F168 R173 Y174 W175 | N167-W171 WeakPolarHBondContact O-CB 3.35Å; N167-W171 PolarHBondContact O-N 3.49Å; F168-W171 HydrophobicContact CD2-CE3 4.06Å; F168-W171 HydrophobicContact CD2-CZ3 4.45Å; F168-W171 HydrophobicContact CE2-CE3 4.05Å; F168-W171 AromaticContact CE2-CZ3 4Å; F168-W171 HydrophobicContact CE2-CZ3 4Å; F168-W171 PolarHBondContact O-N 3.38Å; W171-R173 VanDerWaalsContact C-N 3.33Å; W171-R173 PolarHBondContact O-N 2.98Å; W171-Y174 PolarHBondContact O-N 3.36Å; W171-W175 HydrophobicContact CZ2-CG 4.48Å; W171-W175 VanDerWaalsContact O-CB 3.26Å; W171-W175 WeakPolarHBondContact O-CB 3.46Å; W171-W175 PolarHBondContact O-N 3.39Å |
| 172 | M | 89.2 | Confident | 87.3 | Confident | 39 Ų | 39 | 97 Ų | 97 | 19% | 0.192 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -58.5 | -43.5 | 175.8 | -76.7 | -166.7 | -65.3 | 0 | 0 | 111.8 | L153 F168 E169 W175 L176 | L153-M172 HydrophobicContact CD2-CE 4.43Å; L153-M172 HydrophobicContact CD2-SD 4.06Å; F168-M172 HydrophobicContact CD1-CE 3.53Å; F168-M172 HydrophobicContact CD1-SD 4.19Å; F168-M172 HydrophobicContact CD2-CG 4.3Å; F168-M172 HydrophobicContact CE1-CE 3.3Å; F168-M172 HydrophobicContact CE1-CG 4.22Å; F168-M172 HydrophobicContact CE1-SD 3.48Å; F168-M172 WeakPolarHBondContact CE1-SD 3.45Å; F168-M172 HydrophobicContact CE2-CG 3.92Å; F168-M172 HydrophobicContact CE2-SD 4.1Å; F168-M172 HydrophobicContact CG-CE 4.31Å; F168-M172 HydrophobicContact CZ-CE 3.91Å; F168-M172 HydrophobicContact CZ-CG 3.88Å; F168-M172 HydrophobicContact CZ-SD 3.42Å; F168-M172 WeakPolarHBondContact CZ-SD 3.44Å; F168-M172 WeakPolarHBondContact O-CB 3.48Å; F168-M172 WeakPolarHBondContact O-CG 3.49Å; F168-M172 PolarHBondContact O-N 2.77Å; E169-M172 PolarHBondContact O-N 3.06Å; M172-W175 PolarHBondContact O-N 3.45Å; M172-L176 WeakPolarHBondContact O-CB 3.4Å; M172-L176 VanDerWaalsContact O-CG 3.29Å; M172-L176 WeakPolarHBondContact O-CG 3.36Å; M172-L176 PolarHBondContact O-N 3.06Å |
| 173 | R | 90.3 | Very high | 86.5 | Confident | 150 Ų | 150 | 95.2 Ų | 95.2 | 57% | 0.566 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -61.2 | -46.9 | 177.4 | 176.7 | 175 | 172.7 | -99.8 | 0.6 | 111.5 | E169 S170 W171 L176 I177 | E169-R173 VanDerWaalsContact O-CB 3.31Å; E169-R173 WeakPolarHBondContact O-CB 3.49Å; E169-R173 PolarHBondContact O-N 2.76Å; S170-R173 PolarHBondContact O-N 3.04Å; W171-R173 VanDerWaalsContact C-N 3.33Å; W171-R173 PolarHBondContact O-N 2.98Å; R173-L176 PolarHBondContact O-N 2.98Å; R173-I177 HydrophobicContact CG-CD1 4.06Å; R173-I177 WeakPolarHBondContact O-CD1 3.39Å; R173-I177 VanDerWaalsContact O-CG1 3.26Å; R173-I177 WeakPolarHBondContact O-CG1 3.36Å; R173-I177 PolarHBondContact O-N 3.48Å |
| 174 | Y | 91.3 | Very high | 85.3 | Confident | 148 Ų | 148 | 100 Ų | 100 | 58% | 0.58 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -68 | -37.6 | 176.8 | -72.2 | -59.9 | 0 | 0 | 0 | 112.4 | S170 W171 I177 F178 | S170-Y174 WeakPolarHBondContact O-CD2 3.42Å; S170-Y174 PolarHBondContact O-N 3.21Å; W171-Y174 PolarHBondContact O-N 3.36Å; Y174-I177 HydrophobicContact CD1-CD1 4.49Å; Y174-I177 PolarHBondContact O-N 3.35Å; Y174-F178 VanDerWaalsContact O-CB 3.32Å; Y174-F178 WeakPolarHBondContact O-CB 3.5Å; Y174-F178 PolarHBondContact O-N 3.09Å |
| 175 | W | 90.3 | Very high | 84.4 | Confident | 119 Ų | 119 | 100.6 Ų | 100.6 | 45% | 0.451 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.7 | -42.6 | 175.3 | -178 | 88.5 | 0 | 0 | 0 | 111.8 | W171 M172 F178 Q179 | W171-W175 HydrophobicContact CZ2-CG 4.48Å; W171-W175 VanDerWaalsContact O-CB 3.26Å; W171-W175 WeakPolarHBondContact O-CB 3.46Å; W171-W175 PolarHBondContact O-N 3.39Å; M172-W175 PolarHBondContact O-N 3.45Å; W175-F178 PolarHBondContact O-N 2.93Å; W175-Q179 HydrophobicContact CD2-CG 3.98Å; W175-Q179 HydrophobicContact CE3-CG 4.08Å; W175-Q179 HydrophobicContact CH2-CG 3.92Å; W175-Q179 HydrophobicContact CZ2-CG 3.81Å; W175-Q179 HydrophobicContact CZ3-CG 4.05Å; W175-Q179 WeakPolarHBondContact O-CB 3.48Å; W175-Q179 WeakPolarHBondContact O-CG 3.38Å; W175-Q179 PolarHBondContact O-N 2.97Å |
| 176 | L | 91 | Very high | 82.7 | Confident | 98 Ų | 98 | 104 Ų | 104 | 51% | 0.513 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.4 | -44.6 | 173.4 | -73.9 | 170.9 | 0 | 0 | 0 | 111.7 | M172 R173 F178 Q179 M180 | M172-L176 WeakPolarHBondContact O-CB 3.4Å; M172-L176 VanDerWaalsContact O-CG 3.29Å; M172-L176 WeakPolarHBondContact O-CG 3.36Å; M172-L176 PolarHBondContact O-N 3.06Å; R173-L176 PolarHBondContact O-N 2.98Å; L176-F178 VanDerWaalsContact C-N 3.29Å; L176-F178 PolarHBondContact O-N 3.49Å; L176-Q179 PolarHBondContact O-N 3.47Å; L176-M180 VanDerWaalsContact O-CG 3.24Å; L176-M180 WeakPolarHBondContact O-CG 3.3Å; L176-M180 PolarHBondContact O-N 2.96Å |
| 177 | I | 88.3 | Confident | 81 | Confident | 90 Ų | 90 | 101.9 Ų | 101.9 | 46% | 0.462 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.5 | -42.7 | 174.6 | -69.2 | 163.5 | 0 | 0 | 0 | 110.7 | R173 Y174 M180 A181 | R173-I177 HydrophobicContact CG-CD1 4.06Å; R173-I177 WeakPolarHBondContact O-CD1 3.39Å; R173-I177 VanDerWaalsContact O-CG1 3.26Å; R173-I177 WeakPolarHBondContact O-CG1 3.36Å; R173-I177 PolarHBondContact O-N 3.48Å; Y174-I177 HydrophobicContact CD1-CD1 4.49Å; Y174-I177 PolarHBondContact O-N 3.35Å; I177-M180 PolarHBondContact O-N 3.49Å; I177-A181 WeakPolarHBondContact O-CB 3.35Å; I177-A181 PolarHBondContact O-N 3.03Å |
| 178 | F | 88.3 | Confident | 79.1 | Confident | 116 Ų | 116 | 102.3 Ų | 102.3 | 51% | 0.509 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.4 | -41.4 | 176.4 | 178 | -115.8 | 0 | 0 | 0 | 112.3 | Y174 W175 L176 A181 Q182 | Y174-F178 VanDerWaalsContact O-CB 3.32Å; Y174-F178 WeakPolarHBondContact O-CB 3.5Å; Y174-F178 PolarHBondContact O-N 3.09Å; W175-F178 PolarHBondContact O-N 2.93Å; L176-F178 VanDerWaalsContact C-N 3.29Å; L176-F178 PolarHBondContact O-N 3.49Å; F178-A181 PolarHBondContact O-N 3.29Å; F178-Q182 HydrophobicContact CD1-CG 4.43Å; F178-Q182 HydrophobicContact CD2-CG 4.2Å; F178-Q182 HydrophobicContact CE1-CG 4.09Å; F178-Q182 HydrophobicContact CE2-CG 3.81Å; F178-Q182 HydrophobicContact CG-CG 4.49Å; F178-Q182 HydrophobicContact CZ-CG 3.75Å; F178-Q182 WeakPolarHBondContact O-CB 3.42Å; F178-Q182 WeakPolarHBondContact O-CG 3.48Å; F178-Q182 PolarHBondContact O-N 3.49Å |
| 179 | Q | 86.1 | Confident | 77 | Confident | 66 Ų | 66 | 103.7 Ų | 103.7 | 31% | 0.308 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.1 | -44.1 | 171.8 | -75.2 | -65.5 | -31.4 | 0 | 0 | 111.7 | W175 L176 A181 Q182 Q183 | W175-Q179 HydrophobicContact CD2-CG 3.98Å; W175-Q179 HydrophobicContact CE3-CG 4.08Å; W175-Q179 HydrophobicContact CH2-CG 3.92Å; W175-Q179 HydrophobicContact CZ2-CG 3.81Å; W175-Q179 HydrophobicContact CZ3-CG 4.05Å; W175-Q179 WeakPolarHBondContact O-CB 3.48Å; W175-Q179 WeakPolarHBondContact O-CG 3.38Å; W175-Q179 PolarHBondContact O-N 2.97Å; L176-Q179 PolarHBondContact O-N 3.47Å; Q179-A181 VanDerWaalsContact C-N 3.28Å; Q179-A181 PolarHBondContact O-N 3.34Å; Q179-Q182 PolarHBondContact O-N 3.18Å; Q179-Q183 WeakPolarHBondContact O-CG 3.23Å; Q179-Q183 PolarHBondContact O-N 2.69Å |
| 180 | M | 78.4 | Confident | 75.1 | Confident | 127 Ų | 127 | 106.9 Ų | 106.9 | 63% | 0.626 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -66.6 | -28.2 | 176 | -64.9 | -65 | -71.4 | 0 | 0 | 112.8 | L176 I177 Q183 | L176-M180 VanDerWaalsContact O-CG 3.24Å; L176-M180 WeakPolarHBondContact O-CG 3.3Å; L176-M180 PolarHBondContact O-N 2.96Å; I177-M180 PolarHBondContact O-N 3.49Å; M180-Q183 PolarHBondContact SD-NE2 3.16Å; M180-Q183 VanDerWaalsContact SD-NE2 3.45Å |
| 181 | A | 75.8 | Confident | 72.9 | Confident | 81 Ų | 81 | 110.9 Ų | 110.9 | 67% | 0.669 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -81.2 | -31.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | I177 F178 Q179 | I177-A181 WeakPolarHBondContact O-CB 3.35Å; I177-A181 PolarHBondContact O-N 3.03Å; F178-A181 PolarHBondContact O-N 3.29Å; Q179-A181 VanDerWaalsContact C-N 3.28Å; Q179-A181 PolarHBondContact O-N 3.34Å |
| 182 | Q | 79.1 | Confident | 71 | Confident | 109 Ų | 109 | 109.4 Ų | 109.4 | 51% | 0.509 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -77.3 | -24.3 | 173.5 | -76 | -165.7 | 111.4 | 0 | 0 | 113.1 | F178 Q179 K184 | F178-Q182 HydrophobicContact CD1-CG 4.43Å; F178-Q182 HydrophobicContact CD2-CG 4.2Å; F178-Q182 HydrophobicContact CE1-CG 4.09Å; F178-Q182 HydrophobicContact CE2-CG 3.81Å; F178-Q182 HydrophobicContact CG-CG 4.49Å; F178-Q182 HydrophobicContact CZ-CG 3.75Å; F178-Q182 WeakPolarHBondContact O-CB 3.42Å; F178-Q182 WeakPolarHBondContact O-CG 3.48Å; F178-Q182 PolarHBondContact O-N 3.49Å; Q179-Q182 PolarHBondContact O-N 3.18Å; Q182-K184 PolarHBondContact O-N 3.37Å |
| 183 | Q | 70.8 | Confident | 69.2 | Low | 114 Ų | 114 | 111.8 Ų | 111.8 | 53% | 0.533 | 62% | 0.615 | S | S | . | * | S | Bend | trans | -59 | 95.1 | 164.6 | -79.1 | 174.7 | 47.9 | 0 | 0 | 108.3 | Q179 M180 | Q179-Q183 WeakPolarHBondContact O-CG 3.23Å; Q179-Q183 PolarHBondContact O-N 2.69Å; M180-Q183 PolarHBondContact SD-NE2 3.16Å; M180-Q183 VanDerWaalsContact SD-NE2 3.45Å |
| 184 | K | 61.7 | Low | 67.5 | Low | 180 Ų | 180 | 109.4 Ų | 109.4 | 78% | 0.783 | 62% | 0.621 | S | S | * | * | trans | -43.4 | 116.1 | 166.3 | -179.6 | 178.4 | -176.7 | 178 | 0 | 106.3 | Q182 A186 | Q182-K184 PolarHBondContact O-N 3.37Å; K184-A186 PolarHBondContact O-N 2.88Å; K184-A186 VanDerWaalsContact O-N 3.12Å | ||
| 185 | P | 63.6 | Low | 66.2 | Low | 113 Ų | 113 | 108.3 Ų | 108.3 | 73% | 0.734 | 62% | 0.624 | S | S | * | * | trans | -53.3 | 128.3 | -173.2 | 21.8 | -33.5 | 0 | 0 | 0 | 106.9 | G187 | P185-G187 WeakPolarHBondContact O-CA 3.26Å; P185-G187 PolarHBondContact O-N 3.31Å | ||
| 186 | A | 53.2 | Low | 65.4 | Low | 89 Ų | 89 | 110 Ų | 110 | 74% | 0.736 | 64% | 0.641 | S | S | * | * | trans | -42.3 | 104.7 | -167.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | K184 P188 | K184-A186 PolarHBondContact O-N 2.88Å; K184-A186 VanDerWaalsContact O-N 3.12Å; A186-P188 VanDerWaalsContact O-N 3.09Å | ||
| 187 | G | 52.4 | Low | 65 | Low | 54 Ų | 54 | 109.3 Ų | 109.3 | 56% | 0.557 | 63% | 0.634 | S | S | * | * | trans | -54.6 | 124.5 | -170.2 | 0 | 0 | 0 | 0 | 0 | 106.2 | P185 T189 | P185-G187 WeakPolarHBondContact O-CA 3.26Å; P185-G187 PolarHBondContact O-N 3.31Å; G187-T189 PolarHBondContact O-N 3.26Å | ||
| 188 | P | 47.9 | Very low | 65.1 | Low | 126 Ų | 126 | 107 Ų | 107 | 82% | 0.818 | 62% | 0.624 | S | S | * | * | trans | -46.7 | 113.9 | -150.8 | 14.1 | -30.6 | 0 | 0 | 0 | 109 | A186 | A186-P188 VanDerWaalsContact O-N 3.09Š| ||
| 189 | T | 46.4 | Very low | 65.2 | Low | 86 Ų | 86 | 106.4 Ų | 106.4 | 53% | 0.528 | 62% | 0.621 | S | S | . | * | trans | -49.6 | 146.3 | 171.7 | -14.4 | 0 | 0 | 0 | 0 | 106 | G187 Q191 | G187-T189 PolarHBondContact O-N 3.26Å; T189-Q191 PolarHBondContact O-N 3.12Å | ||
| 190 | P | 48.4 | Very low | 65.5 | Low | 131 Ų | 131 | 103.3 Ų | 103.3 | 85% | 0.851 | 61% | 0.607 | S | S | * | * | trans | -69.2 | 55.1 | 167.1 | 29.8 | -35.3 | 0 | 0 | 0 | 110.9 | ||||
| 191 | Q | 46.8 | Very low | 66.1 | Low | 141 Ų | 141 | 99.4 Ų | 99.4 | 66% | 0.659 | 59% | 0.587 | S | S | * | * | trans | -53.6 | 132.5 | 141.9 | -57 | -174.7 | 13.9 | 0 | 0 | 105.6 | T189 A193 | T189-Q191 PolarHBondContact O-N 3.12Å; Q191-A193 PolarHBondContact O-N 2.92Å; Q191-A193 VanDerWaalsContact O-N 3.12Å | ||
| 192 | P | 52.3 | Low | 66.8 | Low | 121 Ų | 121 | 101.1 Ų | 101.1 | 79% | 0.786 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -54.1 | 126.7 | 174.5 | 24.9 | -33.3 | 0 | 0 | 0 | 107.1 | S194 | P192-S194 PolarHBondContact O-N 3.17Š|
| 193 | A | 50.6 | Low | 67.2 | Low | 89 Ų | 89 | 100.5 Ų | 100.5 | 74% | 0.736 | 58% | 0.58 | S | S | * | * | trans | -35.9 | 116.4 | -166.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | Q191 L195 | Q191-A193 PolarHBondContact O-N 2.92Å; Q191-A193 VanDerWaalsContact O-N 3.12Å; A193-L195 WeakPolarHBondContact O-CA 3.39Å; A193-L195 PolarHBondContact O-N 2.89Å | ||
| 194 | S | 55.8 | Low | 68 | Low | 100 Ų | 100 | 95.8 Ų | 95.8 | 70% | 0.699 | 56% | 0.56 | S | S | * | * | trans | -53 | 106.3 | -177.6 | 44 | 0 | 0 | 0 | 0 | 107 | P192 I196 | P192-S194 PolarHBondContact O-N 3.17Å; S194-I196 VanDerWaalsContact C-N 3.35Å; S194-I196 WeakPolarHBondContact O-CG1 3.44Å; S194-I196 PolarHBondContact O-N 3.28Å | ||
| 195 | L | 63.1 | Low | 69 | Low | 124 Ų | 124 | 90 Ų | 90 | 65% | 0.649 | 54% | 0.54 | S | S | * | . | trans | -66.6 | 100.1 | -160.6 | -174.3 | 77.9 | 0 | 0 | 0 | 106.3 | A193 K197 | A193-L195 WeakPolarHBondContact O-CA 3.39Å; A193-L195 PolarHBondContact O-N 2.89Å; L195-K197 HydrophobicContact CD2-CD 4.42Å; L195-K197 HydrophobicContact CD2-CG 3.7Å; L195-K197 HydrophobicContact CG-CG 4.01Å; L195-K197 PolarHBondContact O-N 3.28Å | ||
| 196 | I | 73.5 | Confident | 69.3 | Low | 155 Ų | 155 | 89.9 Ų | 89.9 | 80% | 0.795 | 54% | 0.539 | S | S | * | . | trans | -68.8 | 81.4 | 174.8 | -57.7 | -177.3 | 0 | 0 | 0 | 105.1 | S194 T198 | S194-I196 VanDerWaalsContact C-N 3.35Å; S194-I196 WeakPolarHBondContact O-CG1 3.44Å; S194-I196 PolarHBondContact O-N 3.28Å; I196-T198 PolarHBondContact O-N 2.98Å | ||
| 197 | K | 83.1 | Confident | 69.9 | Low | 83 Ų | 83 | 88.5 Ų | 88.5 | 36% | 0.361 | 53% | 0.533 | S | S | . | . | trans | -61.6 | 122.7 | -177.7 | -78.2 | -174.4 | 175.9 | -179.2 | 0 | 107 | L195 Q201 M202 T205 | L195-K197 HydrophobicContact CD2-CD 4.42Å; L195-K197 HydrophobicContact CD2-CG 3.7Å; L195-K197 HydrophobicContact CG-CG 4.01Å; L195-K197 PolarHBondContact O-N 3.28Å; K197-Q201 HydrophobicContact CB-CB 3.97Å; K197-Q201 HydrophobicContact CG-CB 4.16Å; K197-M202 HydrophobicContact CB-CG 3.54Å; K197-M202 HydrophobicContact CD-CG 4.39Å; K197-T205 PolarHBondContact NZ-OG1 3.23Å | ||
| 198 | T | 89.6 | Confident | 70.5 | Confident | 43 Ų | 43 | 94 Ų | 94 | 26% | 0.264 | 56% | 0.556 | S | S | . | * | trans | -61.8 | 165.5 | 171.3 | 64 | 0 | 0 | 0 | 0 | 110.5 | I196 C200 Q201 M202 G222 | I196-T198 PolarHBondContact O-N 2.98Å; T198-C200 VanDerWaalsContact C-N 3.28Å; T198-C200 PolarHBondContact O-N 2.78Å; T198-Q201 PolarHBondContact O-N 2.9Å; T198-Q201 VanDerWaalsContact OG1-CG 3.31Å; T198-Q201 WeakPolarHBondContact OG1-CG 3.17Å; T198-Q201 PolarHBondContact OG1-N 2.72Å; T198-M202 WeakPolarHBondContact O-CG 3.41Å; T198-M202 PolarHBondContact O-N 2.55Å; T198-G222 WeakPolarHBondContact CB-O 3.46Å; T198-G222 VanDerWaalsContact OG1-C 3.3Å; T198-G222 VanDerWaalsContact OG1-CA 3.32Å; T198-G222 WeakPolarHBondContact OG1-CA 3.25Å; T198-G222 PolarHBondContact OG1-O 3.37Å | ||
| 199 | K | 91 | Very high | 71.4 | Confident | 103 Ų | 103 | 90.6 Ų | 90.6 | 45% | 0.448 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -47.2 | -50.6 | 174.5 | -172.4 | -166.4 | 163.2 | -163.1 | 0 | 111.9 | Q201 M202 E203 Y224 S242 | K199-Q201 PolarHBondContact O-N 3.25Å; K199-M202 PolarHBondContact O-N 3Å; K199-E203 WeakPolarHBondContact CE-OE1 3.14Å; K199-E203 WeakPolarHBondContact O-CG 3.44Å; K199-E203 PolarHBondContact O-N 2.88Å; K199-Y224 HydrophobicContact CD-CE2 4.21Å; K199-Y224 VanDerWaalsContact CD-OH 3.27Å; K199-Y224 WeakPolarHBondContact CD-OH 3.23Å; K199-Y224 WeakPolarHBondContact CE-OH 3.12Å; K199-Y224 WeakPolarHBondContact CG-OH 3.44Å; K199-S242 PolarHBondContact NZ-O 2.82Å |
| 200 | C | 91.8 | Very high | 72.5 | Confident | 0 Ų | 0 | 95.6 Ų | 95.6 | 0% | 0 | 56% | 0.558 | C | S | . | * | H | α-helix | trans | -60.7 | -44.7 | 177.2 | -175 | 0 | 0 | 0 | 0 | 112.3 | T198 M202 E203 A204 C218 G222 Y224 | T198-C200 VanDerWaalsContact C-N 3.28Å; T198-C200 PolarHBondContact O-N 2.78Å; C200-M202 VanDerWaalsContact C-N 3.32Å; C200-M202 PolarHBondContact O-N 3.25Å; C200-E203 PolarHBondContact O-N 2.86Å; C200-A204 WeakPolarHBondContact O-CB 3.46Å; C200-A204 PolarHBondContact O-N 3.3Å; C200-C218 HydrophobicContact CB-CB 4Å; C200-C218 WeakPolarHBondContact CB-SG 3.27Å; C200-C218 PolarHBondContact O-SG 3.3Å; C200-C218 WeakPolarHBondContact SG-CA 3.5Å; C200-C218 WeakPolarHBondContact SG-CB 3.28Å; C200-C218 CovalentContact SG-SG 2.04Å; C200-C218 PolarHBondContact SG-SG 3.32Å; C200-G222 WeakPolarHBondContact CB-O 3.44Å; C200-Y224 HydrophobicContact CB-CD1 3.86Å; C200-Y224 HydrophobicContact CB-CD2 4.06Å; C200-Y224 HydrophobicContact CB-CE1 3.7Å; C200-Y224 HydrophobicContact CB-CE2 3.89Å; C200-Y224 HydrophobicContact CB-CG 4.04Å; C200-Y224 VanDerWaalsContact SG-CD1 3.56Å |
| 201 | Q | 91.8 | Very high | 73.9 | Confident | 46 Ų | 46 | 98.1 Ų | 98.1 | 22% | 0.215 | 56% | 0.563 | C | S | . | * | H | α-helix | trans | -67.9 | -30.4 | -179.3 | -70.5 | 170.8 | -8.2 | 0 | 0 | 113 | K197 T198 K199 T205 G222 | K197-Q201 HydrophobicContact CB-CB 3.97Å; K197-Q201 HydrophobicContact CG-CB 4.16Å; T198-Q201 PolarHBondContact O-N 2.9Å; T198-Q201 VanDerWaalsContact OG1-CG 3.31Å; T198-Q201 WeakPolarHBondContact OG1-CG 3.17Å; T198-Q201 PolarHBondContact OG1-N 2.72Å; K199-Q201 PolarHBondContact O-N 3.25Å; Q201-T205 PolarHBondContact O-N 3.22Å; Q201-T205 PolarHBondContact O-OG1 2.91Å; Q201-G222 VanDerWaalsContact NE2-CA 3.3Å |
| 202 | M | 90.1 | Very high | 75.5 | Confident | 116 Ų | 116 | 93.2 Ų | 93.2 | 57% | 0.571 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -68.8 | -49.9 | 171.2 | -67.7 | -169.1 | -70.6 | 0 | 0 | 110.9 | K197 T198 K199 C200 A204 T205 | K197-M202 HydrophobicContact CB-CG 3.54Å; K197-M202 HydrophobicContact CD-CG 4.39Å; T198-M202 WeakPolarHBondContact O-CG 3.41Å; T198-M202 PolarHBondContact O-N 2.55Å; K199-M202 PolarHBondContact O-N 3Å; C200-M202 VanDerWaalsContact C-N 3.32Å; C200-M202 PolarHBondContact O-N 3.25Å; M202-A204 VanDerWaalsContact C-N 3.3Å; M202-A204 PolarHBondContact O-N 3.28Å; M202-T205 VanDerWaalsContact O-CB 3.23Å; M202-T205 WeakPolarHBondContact O-CB 3.39Å; M202-T205 PolarHBondContact O-N 3.21Å; M202-T205 VanDerWaalsContact O-N 3.1Å; M202-T205 PolarHBondContact O-OG1 3.15Å |
| 203 | E | 88.4 | Confident | 77.1 | Confident | 97 Ų | 97 | 90.3 Ų | 90.3 | 45% | 0.453 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.8 | -30.3 | 177.3 | -68.2 | 171.6 | -175.2 | 0 | 0 | 113.3 | K199 C200 T205 P216 Y224 | K199-E203 WeakPolarHBondContact CE-OE1 3.14Å; K199-E203 WeakPolarHBondContact O-CG 3.44Å; K199-E203 PolarHBondContact O-N 2.88Å; C200-E203 PolarHBondContact O-N 2.86Å; E203-T205 VanDerWaalsContact C-N 3.32Å; E203-P216 HydrophobicContact CB-CG 3.65Å; E203-Y224 PolarHBondContact OE1-OH 3.46Å; E203-Y224 WeakPolarHBondContact OE2-CE1 3.15Å; E203-Y224 PolarHBondContact OE2-OH 3.12Å |
| 204 | A | 86.8 | Confident | 78.8 | Confident | 15 Ų | 15 | 89.7 Ų | 89.7 | 12% | 0.124 | 52% | 0.515 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | C200 M202 K215 P216 | C200-A204 WeakPolarHBondContact O-CB 3.46Å; C200-A204 PolarHBondContact O-N 3.3Å; M202-A204 VanDerWaalsContact C-N 3.3Å; M202-A204 PolarHBondContact O-N 3.28Å; A204-K215 HydrophobicContact CB-CG 4.44Å; A204-K215 WeakPolarHBondContact O-CE 3.06Å; A204-K215 PolarHBondContact O-NZ 2.96Å; A204-K215 VanDerWaalsContact O-NZ 3.12Å; A204-P216 HydrophobicContact CB-CG 4.16Å; A204-P216 WeakPolarHBondContact CB-O 3.31Å |
| 205 | T | 82.8 | Confident | 80.6 | Confident | 57 Ų | 57 | 90.5 Ų | 90.5 | 35% | 0.35 | 51% | 0.506 | S | S | . | . | S | Bend | trans | -67.2 | 129.1 | 173.8 | -64.6 | 0 | 0 | 0 | 0 | 108.2 | K197 Q201 M202 E203 G207 | K197-T205 PolarHBondContact NZ-OG1 3.23Å; Q201-T205 PolarHBondContact O-N 3.22Å; Q201-T205 PolarHBondContact O-OG1 2.91Å; M202-T205 VanDerWaalsContact O-CB 3.23Å; M202-T205 WeakPolarHBondContact O-CB 3.39Å; M202-T205 PolarHBondContact O-N 3.21Å; M202-T205 VanDerWaalsContact O-N 3.1Å; M202-T205 PolarHBondContact O-OG1 3.15Å; E203-T205 VanDerWaalsContact C-N 3.32Å; T205-G207 VanDerWaalsContact C-N 3.31Å; T205-G207 PolarHBondContact O-N 2.82Å |
| 206 | P | 68.7 | Low | 82 | Confident | 112 Ų | 112 | 84.9 Ų | 84.9 | 73% | 0.727 | 48% | 0.477 | S | S | * | . | trans | -68.8 | 89.9 | 177 | 28.9 | -33.9 | 0 | 0 | 0 | 109.8 | ||||
| 207 | G | 66.4 | Low | 83 | Confident | 59 Ų | 59 | 79.6 Ų | 79.6 | 61% | 0.608 | 45% | 0.449 | S | S | * | . | trans | -71.7 | -174.8 | 164.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | T205 G209 | T205-G207 VanDerWaalsContact C-N 3.31Å; T205-G207 PolarHBondContact O-N 2.82Å; G207-G209 PolarHBondContact O-N 2.57Å | ||
| 208 | V | 65.6 | Low | 83.5 | Confident | 169 Ų | 169 | 76.8 Ų | 76.8 | 100% | 1.024 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -74.1 | 61.2 | 172.5 | -169.1 | 0 | 0 | 0 | 0 | 109.7 | ||
| 209 | G | 65.8 | Low | 83.6 | Confident | 56 Ų | 56 | 77 Ų | 77 | 58% | 0.577 | 44% | 0.439 | S | S | * | . | P | Polyproline II helix | trans | -93.5 | 143.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | G207 | G207-G209 PolarHBondContact O-N 2.57Š|
| 210 | K | 69.8 | Low | 83.5 | Confident | 191 Ų | 191 | 80.6 Ų | 80.6 | 83% | 0.83 | 46% | 0.458 | S | S | * | . | P | Polyproline II helix | trans | -57.4 | 140.2 | 177.3 | -60.6 | -177.7 | -179.2 | -177.5 | 0 | 110.4 | G212 A213 | K210-G212 PolarHBondContact O-N 3.25Å; K210-A213 WeakPolarHBondContact O-CB 3.32Å; K210-A213 PolarHBondContact O-N 2.8Å |
| 211 | I | 77.8 | Confident | 83.3 | Confident | 183 Ų | 183 | 86.4 Ų | 86.4 | 94% | 0.938 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | 130.4 | 175.2 | -61 | 171.4 | 0 | 0 | 0 | 108.7 | ||
| 212 | G | 80.4 | Confident | 83.2 | Confident | 38 Ų | 38 | 84.3 Ų | 84.3 | 39% | 0.392 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.4 | 1.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | K210 W230 A232 | K210-G212 PolarHBondContact O-N 3.25Å; G212-W230 PolarHBondContact O-NE1 3.22Å; G212-A232 VanDerWaalsContact O-CB 3.3Å; G212-A232 WeakPolarHBondContact O-CB 3.19Å |
| 213 | A | 85.8 | Confident | 83.3 | Confident | 60 Ų | 60 | 83.9 Ų | 83.9 | 50% | 0.496 | 47% | 0.472 | S | S | . | . | trans | -57.8 | 152.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | K210 | K210-A213 WeakPolarHBondContact O-CB 3.32Å; K210-A213 PolarHBondContact O-N 2.8Å | ||
| 214 | Y | 87.7 | Confident | 83.5 | Confident | 77 Ų | 77 | 80.1 Ų | 80.1 | 30% | 0.302 | 45% | 0.453 | S | S | . | . | trans | -66.9 | 135.2 | 173.3 | 169 | -107.4 | 0 | 0 | 0 | 110.6 | P216 Q228 W230 W237 | Y214-P216 HydrophobicContact CE1-CB 4.09Å; Y214-Q228 HydrophobicContact CE2-CB 4.41Å; Y214-Q228 WeakPolarHBondContact OH-CB 3.04Å; Y214-Q228 WeakPolarHBondContact OH-CG 3.36Å; Y214-Q228 PolarHBondContact OH-OE1 2.82Å; Y214-W230 HydrophobicContact CD2-CB 3.88Å; Y214-W230 HydrophobicContact CD2-CG 4.08Å; Y214-W237 AromaticContact CD2-CH2 3.75Å; Y214-W237 HydrophobicContact CD2-CH2 3.75Å; Y214-W237 HydrophobicContact CD2-CZ2 4.06Å; Y214-W237 HydrophobicContact CE1-CZ2 4.38Å; Y214-W237 AromaticContact CE2-CH2 3.58Å; Y214-W237 HydrophobicContact CE2-CH2 3.58Å; Y214-W237 AromaticContact CE2-CZ2 3.48Å; Y214-W237 HydrophobicContact CE2-CZ2 3.48Å; Y214-W237 VanDerWaalsContact CE2-CZ2 3.48Å; Y214-W237 HydrophobicContact CG-CH2 4.48Å; Y214-W237 AromaticContact CZ-CZ2 3.64Å | ||
| 215 | K | 91.9 | Very high | 83.8 | Confident | 117 Ų | 117 | 84.2 Ų | 84.2 | 51% | 0.509 | 47% | 0.469 | S | S | . | . | trans | -124.6 | 119.3 | 174.1 | 171.7 | 171.7 | 171.3 | 158.6 | 0 | 108.3 | A204 | A204-K215 HydrophobicContact CB-CG 4.44Å; A204-K215 WeakPolarHBondContact O-CE 3.06Å; A204-K215 PolarHBondContact O-NZ 2.96Å; A204-K215 VanDerWaalsContact O-NZ 3.12Å | ||
| 216 | P | 93.3 | Very high | 84.3 | Confident | 6 Ų | 6 | 85.2 Ų | 85.2 | 4% | 0.039 | 48% | 0.476 | C | S | . | . | trans | -68.1 | 147.9 | 179.6 | 25.5 | -31 | 0 | 0 | 0 | 112 | E203 A204 Y214 Y224 Q228 | E203-P216 HydrophobicContact CB-CG 3.65Å; A204-P216 HydrophobicContact CB-CG 4.16Å; A204-P216 WeakPolarHBondContact CB-O 3.31Å; Y214-P216 HydrophobicContact CE1-CB 4.09Å; P216-Y224 HydrophobicContact CB-CD1 4.09Å; P216-Y224 HydrophobicContact CB-CE1 3.93Å; P216-Y224 HydrophobicContact CG-CE1 4.44Å; P216-Q228 VanDerWaalsContact CA-OE1 3.25Å | ||
| 217 | Q | 93.9 | Very high | 85.5 | Confident | 44 Ų | 44 | 82.4 Ų | 82.4 | 21% | 0.206 | 45% | 0.454 | C | S | . | . | trans | -97.9 | 115.5 | 175.2 | -64.7 | 89.3 | 7.9 | 0 | 0 | 110.5 | K225 Q228 C229 H231 | Q217-K225 HydrophobicContact CB-CD 4.15Å; Q217-K225 WeakPolarHBondContact O-CB 3.31Å; Q217-K225 PolarHBondContact O-N 2.82Å; Q217-Q228 PolarHBondContact O-NE2 2.95Å; Q217-C229 PolarHBondContact NE2-O 2.84Å; Q217-H231 PolarHBondContact NE2-NE2 2.04Å | ||
| 218 | C | 94 | Very high | 86.9 | Confident | 23 Ų | 23 | 79.6 Ų | 79.6 | 16% | 0.155 | 43% | 0.425 | C | S | . | . | B | Isolated β-bridge | trans | -97.1 | 158.7 | 178.1 | -40.1 | 0 | 0 | 0 | 0 | 112.3 | C200 H223 K225 | C200-C218 HydrophobicContact CB-CB 4Å; C200-C218 WeakPolarHBondContact CB-SG 3.27Å; C200-C218 PolarHBondContact O-SG 3.3Å; C200-C218 WeakPolarHBondContact SG-CA 3.5Å; C200-C218 WeakPolarHBondContact SG-CB 3.28Å; C200-C218 CovalentContact SG-SG 2.04Å; C200-C218 PolarHBondContact SG-SG 3.32Å; C218-H223 CarbonylContact C-O 3.54Å; C218-H223 WeakPolarHBondContact CA-O 3.07Å; C218-H223 WeakPolarHBondContact CB-O 3.44Å; C218-K225 WeakPolarHBondContact O-CD 3.42Å; C218-K225 WeakPolarHBondContact O-CE 3.42Å; C218-K225 PolarHBondContact O-NZ 2.93Å |
| 219 | D | 91.1 | Very high | 88.2 | Confident | 47 Ų | 47 | 72.2 Ų | 72.2 | 25% | 0.251 | 38% | 0.381 | S | S | . | . | trans | -80.7 | -177.7 | 163.1 | 69.9 | 16.1 | 0 | 0 | 0 | 111.6 | Q221 G222 H223 K225 | D219-Q221 VanDerWaalsContact C-N 3.28Å; D219-Q221 VanDerWaalsContact CG-OE1 3.31Å; D219-Q221 PolarHBondContact O-N 3.31Å; D219-Q221 WeakPolarHBondContact OD1-CA 3.13Å; D219-Q221 PolarHBondContact OD1-N 3.46Å; D219-Q221 PolarHBondContact OD1-OE1 2.78Å; D219-G222 PolarHBondContact O-N 3.22Å; D219-G222 PolarHBondContact OD1-N 3.1Å; D219-H223 PolarHBondContact N-O 3.02Å; D219-H223 PolarHBondContact OD1-N 2.77Å; D219-H223 IonicContact OD1-ND1 3.51Å; D219-H223 WeakPolarHBondContact OD2-CB 3.33Å; D219-H223 IonicContact OD2-CG 2.93Å; D219-H223 IonicContact OD2-ND1 3.97Å; D219-H223 PolarHBondContact OD2-ND1 3.42Å; D219-K225 HydrophobicContact CB-CG 4.45Å | ||
| 220 | E | 89.1 | Confident | 89.5 | Confident | 180 Ų | 180 | 74 Ų | 74 | 84% | 0.841 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -69.7 | -28 | -179 | -63.1 | 176.9 | 173 | 0 | 0 | 112.3 | G222 | E220-G222 VanDerWaalsContact C-N 3.31Š|
| 221 | Q | 88.1 | Confident | 90.4 | Very high | 122 Ų | 122 | 72.1 Ų | 72.1 | 57% | 0.57 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -81.5 | -14.1 | 177.6 | -60.8 | 72.7 | 23.9 | 0 | 0 | 111.9 | D219 | D219-Q221 VanDerWaalsContact C-N 3.28Å; D219-Q221 VanDerWaalsContact CG-OE1 3.31Å; D219-Q221 PolarHBondContact O-N 3.31Å; D219-Q221 WeakPolarHBondContact OD1-CA 3.13Å; D219-Q221 PolarHBondContact OD1-N 3.46Å; D219-Q221 PolarHBondContact OD1-OE1 2.78Å |
| 222 | G | 89.7 | Confident | 90.9 | Very high | 2 Ų | 2 | 66.6 Ų | 66.6 | 2% | 0.021 | 35% | 0.346 | C | S | . | . | S | Bend | trans | 90.8 | 11.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | T198 C200 Q201 D219 E220 | T198-G222 WeakPolarHBondContact CB-O 3.46Å; T198-G222 VanDerWaalsContact OG1-C 3.3Å; T198-G222 VanDerWaalsContact OG1-CA 3.32Å; T198-G222 WeakPolarHBondContact OG1-CA 3.25Å; T198-G222 PolarHBondContact OG1-O 3.37Å; C200-G222 WeakPolarHBondContact CB-O 3.44Å; Q201-G222 VanDerWaalsContact NE2-CA 3.3Å; D219-G222 PolarHBondContact O-N 3.22Å; D219-G222 PolarHBondContact OD1-N 3.1Å; E220-G222 VanDerWaalsContact C-N 3.31Å |
| 223 | H | 91.9 | Very high | 91.4 | Very high | 106 Ų | 106 | 67 Ų | 67 | 49% | 0.491 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -77.4 | 164.8 | 167.5 | -43.8 | 102.4 | 0 | 0 | 0 | 110.6 | C218 D219 | C218-H223 CarbonylContact C-O 3.54Å; C218-H223 WeakPolarHBondContact CA-O 3.07Å; C218-H223 WeakPolarHBondContact CB-O 3.44Å; D219-H223 PolarHBondContact N-O 3.02Å; D219-H223 PolarHBondContact OD1-N 2.77Å; D219-H223 IonicContact OD1-ND1 3.51Å; D219-H223 WeakPolarHBondContact OD2-CB 3.33Å; D219-H223 IonicContact OD2-CG 2.93Å; D219-H223 IonicContact OD2-ND1 3.97Å; D219-H223 PolarHBondContact OD2-ND1 3.42Å |
| 224 | Y | 93.3 | Very high | 91.6 | Very high | 18 Ų | 18 | 65.8 Ų | 65.8 | 7% | 0.071 | 33% | 0.334 | C | S | . | . | B | Isolated β-bridge | trans | -70.1 | 133.4 | 171.3 | -61.9 | -92.9 | 0 | 0 | 0 | 109.8 | K199 C200 E203 P216 S242 G243 | K199-Y224 HydrophobicContact CD-CE2 4.21Å; K199-Y224 VanDerWaalsContact CD-OH 3.27Å; K199-Y224 WeakPolarHBondContact CD-OH 3.23Å; K199-Y224 WeakPolarHBondContact CE-OH 3.12Å; K199-Y224 WeakPolarHBondContact CG-OH 3.44Å; C200-Y224 HydrophobicContact CB-CD1 3.86Å; C200-Y224 HydrophobicContact CB-CD2 4.06Å; C200-Y224 HydrophobicContact CB-CE1 3.7Å; C200-Y224 HydrophobicContact CB-CE2 3.89Å; C200-Y224 HydrophobicContact CB-CG 4.04Å; C200-Y224 VanDerWaalsContact SG-CD1 3.56Å; E203-Y224 PolarHBondContact OE1-OH 3.46Å; E203-Y224 WeakPolarHBondContact OE2-CE1 3.15Å; E203-Y224 PolarHBondContact OE2-OH 3.12Å; P216-Y224 HydrophobicContact CB-CD1 4.09Å; P216-Y224 HydrophobicContact CB-CE1 3.93Å; P216-Y224 HydrophobicContact CG-CE1 4.44Å; Y224-S242 VanDerWaalsContact CE2-O 3.25Å; Y224-S242 WeakPolarHBondContact CE2-O 3.42Å; Y224-G243 VanDerWaalsContact CD2-CA 3.42Å; Y224-G243 VanDerWaalsContact CG-CA 3.48Å |
| 225 | K | 93.6 | Very high | 91.8 | Very high | 102 Ų | 102 | 65.6 Ų | 65.6 | 44% | 0.443 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 138.8 | 168.2 | -79.9 | 171.8 | 168.4 | 145.1 | 0 | 109.5 | Q217 C218 D219 M227 Q228 V239 | Q217-K225 HydrophobicContact CB-CD 4.15Å; Q217-K225 WeakPolarHBondContact O-CB 3.31Å; Q217-K225 PolarHBondContact O-N 2.82Å; C218-K225 WeakPolarHBondContact O-CD 3.42Å; C218-K225 WeakPolarHBondContact O-CE 3.42Å; C218-K225 PolarHBondContact O-NZ 2.93Å; D219-K225 HydrophobicContact CB-CG 4.45Å; K225-M227 CarbonylContact O-C 3.51Å; K225-M227 PolarHBondContact O-N 2.7Å; K225-Q228 PolarHBondContact O-NE2 3.33Å; K225-V239 WeakPolarHBondContact O-CG2 3.45Å |
| 226 | P | 92.9 | Very high | 92 | Very high | 78 Ų | 78 | 60.7 Ų | 60.7 | 51% | 0.506 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -55.3 | -24.9 | -177.4 | -28.7 | 35 | 0 | 0 | 0 | 114.6 | C238 V239 C257 | P226-C238 CarbonylContact O-C 3.53Å; P226-C238 WeakPolarHBondContact O-CA 3.33Å; P226-V239 PolarHBondContact O-N 2.94Å; P226-C257 HydrophobicContact CB-CB 4.08Å; P226-C257 PolarHBondContact O-SG 2.79Å |
| 227 | M | 93.4 | Very high | 92.1 | Very high | 52 Ų | 52 | 62 Ų | 62 | 26% | 0.256 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 127.1 | 171.1 | -178.1 | -176.2 | 75.2 | 0 | 0 | 109.7 | K225 W237 R254 P255 | K225-M227 CarbonylContact O-C 3.51Å; K225-M227 PolarHBondContact O-N 2.7Å; M227-W237 WeakPolarHBondContact CA-O 3.04Å; M227-R254 HydrophobicContact CE-CG 4.02Å; M227-R254 HydrophobicContact SD-CB 4.41Å; M227-R254 HydrophobicContact SD-CG 3.4Å; M227-R254 WeakPolarHBondContact SD-CG 3.07Å; M227-P255 HydrophobicContact CG-CG 3.99Å; M227-P255 HydrophobicContact SD-CG 4.3Å |
| 228 | Q | 94.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 148.6 | 172.2 | -61.6 | -65.4 | -61.6 | 0 | 0 | 110 | Y214 P216 Q217 K225 C236 W237 V239 | Y214-Q228 HydrophobicContact CE2-CB 4.41Å; Y214-Q228 WeakPolarHBondContact OH-CB 3.04Å; Y214-Q228 WeakPolarHBondContact OH-CG 3.36Å; Y214-Q228 PolarHBondContact OH-OE1 2.82Å; P216-Q228 VanDerWaalsContact CA-OE1 3.25Å; Q217-Q228 PolarHBondContact O-NE2 2.95Å; K225-Q228 PolarHBondContact O-NE2 3.33Å; Q228-C236 CarbonylContact O-C 3.53Å; Q228-C236 WeakPolarHBondContact O-CA 3.19Å; Q228-C236 VanDerWaalsContact O-CB 3.24Å; Q228-C236 WeakPolarHBondContact O-CB 3.41Å; Q228-W237 HydrophobicContact CB-CZ2 4.24Å; Q228-W237 PolarHBondContact N-O 2.97Å; Q228-W237 PolarHBondContact O-N 2.89Å; Q228-V239 HydrophobicContact CB-CG1 4.24Å; Q228-V239 HydrophobicContact CG-CB 4.27Å; Q228-V239 HydrophobicContact CG-CG1 3.5Å; Q228-V239 HydrophobicContact CG-CG2 3.71Å |
| 229 | C | 94.1 | Very high | 92.1 | Very high | 15 Ų | 15 | 59.5 Ų | 59.5 | 10% | 0.101 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 126.5 | -178.8 | -73.8 | 0 | 0 | 0 | 0 | 111.9 | Q217 H231 C236 | Q217-C229 PolarHBondContact NE2-O 2.84Å; C229-H231 PolarHBondContact O-N 2.86Å; C229-C236 HydrophobicContact CB-CB 4.08Å; C229-C236 WeakPolarHBondContact CB-SG 3.4Å; C229-C236 WeakPolarHBondContact SG-CB 3.16Å; C229-C236 CovalentContact SG-SG 2.04Å; C229-C236 PolarHBondContact SG-SG 2.81Å |
| 230 | W | 93 | Very high | 92 | Very high | 92 Ų | 92 | 60.4 Ų | 60.4 | 35% | 0.348 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 89.4 | 169.2 | -168 | 3.8 | 0 | 0 | 0 | 110.2 | G212 Y214 A232 T233 G234 F235 W237 | G212-W230 PolarHBondContact O-NE1 3.22Å; Y214-W230 HydrophobicContact CD2-CB 3.88Å; Y214-W230 HydrophobicContact CD2-CG 4.08Å; W230-A232 PolarHBondContact O-N 2.93Å; W230-A232 VanDerWaalsContact O-N 3.14Å; W230-T233 HydrophobicContact CD2-CG2 3.7Å; W230-T233 HydrophobicContact CE3-CG2 3.8Å; W230-T233 HydrophobicContact CG-CG2 4.29Å; W230-T233 HydrophobicContact CH2-CG2 4.05Å; W230-T233 HydrophobicContact CZ2-CG2 3.96Å; W230-T233 HydrophobicContact CZ3-CG2 3.98Å; W230-T233 PolarHBondContact O-N 3.34Å; W230-T233 VanDerWaalsContact O-N 3.08Å; W230-T233 PolarHBondContact O-OG1 3.18Å; W230-G234 PolarHBondContact O-N 3.48Å; W230-F235 PolarHBondContact N-O 2.88Å; W230-W237 HydrophobicContact CB-CH2 3.88Å; W230-W237 HydrophobicContact CB-CZ3 3.87Å |
| 231 | H | 89 | Confident | 92 | Very high | 152 Ų | 152 | 60.7 Ų | 60.7 | 70% | 0.704 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -28.8 | -173.9 | -62.6 | -71.9 | 0 | 0 | 0 | 114.5 | Q217 C229 T233 | Q217-H231 PolarHBondContact NE2-NE2 2.04Å; C229-H231 PolarHBondContact O-N 2.86Å; H231-T233 VanDerWaalsContact C-N 3.34Å; H231-T233 PolarHBondContact O-N 2.04Å |
| 232 | A | 88.4 | Confident | 92 | Very high | 67 Ų | 67 | 58.1 Ų | 58.1 | 55% | 0.554 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -27 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | G212 W230 | G212-A232 VanDerWaalsContact O-CB 3.3Å; G212-A232 WeakPolarHBondContact O-CB 3.19Å; W230-A232 PolarHBondContact O-N 2.93Å; W230-A232 VanDerWaalsContact O-N 3.14Å |
| 233 | T | 89.8 | Confident | 92 | Very high | 48 Ų | 48 | 58.7 Ų | 58.7 | 29% | 0.294 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | -19.1 | 177.7 | 61.1 | 0 | 0 | 0 | 0 | 112.7 | W230 H231 R252 | W230-T233 HydrophobicContact CD2-CG2 3.7Å; W230-T233 HydrophobicContact CE3-CG2 3.8Å; W230-T233 HydrophobicContact CG-CG2 4.29Å; W230-T233 HydrophobicContact CH2-CG2 4.05Å; W230-T233 HydrophobicContact CZ2-CG2 3.96Å; W230-T233 HydrophobicContact CZ3-CG2 3.98Å; W230-T233 PolarHBondContact O-N 3.34Å; W230-T233 VanDerWaalsContact O-N 3.08Å; W230-T233 PolarHBondContact O-OG1 3.18Å; H231-T233 VanDerWaalsContact C-N 3.34Å; H231-T233 PolarHBondContact O-N 2.04Å; T233-R252 PolarHBondContact O-NH1 3.42Å |
| 234 | G | 90.2 | Very high | 92 | Very high | 34 Ų | 34 | 57.6 Ų | 57.6 | 35% | 0.351 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.5 | 14.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | W230 R252 | W230-G234 PolarHBondContact O-N 3.48Å; G234-R252 WeakPolarHBondContact O-CA 3.36Å |
| 235 | F | 93.1 | Very high | 91.9 | Very high | 73 Ų | 73 | 60.2 Ų | 60.2 | 32% | 0.32 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 142.2 | 175.9 | -71.1 | -87.5 | 0 | 0 | 0 | 111.7 | W230 T250 M251 R252 | W230-F235 PolarHBondContact N-O 2.88Å; F235-T250 HydrophobicContact CB-CG2 4.41Å; F235-T250 HydrophobicContact CD1-CG2 4.13Å; F235-M251 WeakPolarHBondContact CA-O 3.35Å; F235-R252 HydrophobicContact CD1-CG 3.92Å; F235-R252 HydrophobicContact CE1-CG 3.72Å; F235-R252 HydrophobicContact CE2-CG 4.46Å; F235-R252 HydrophobicContact CG-CG 4.38Å; F235-R252 HydrophobicContact CZ-CG 4.02Å |
| 236 | C | 95.1 | Very high | 91.7 | Very high | 14 Ų | 14 | 58.8 Ų | 58.8 | 10% | 0.095 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 156.3 | 168.7 | -55.1 | 0 | 0 | 0 | 0 | 110.2 | Q228 C229 T250 M251 G253 P255 | Q228-C236 CarbonylContact O-C 3.53Å; Q228-C236 WeakPolarHBondContact O-CA 3.19Å; Q228-C236 VanDerWaalsContact O-CB 3.24Å; Q228-C236 WeakPolarHBondContact O-CB 3.41Å; C229-C236 HydrophobicContact CB-CB 4.08Å; C229-C236 WeakPolarHBondContact CB-SG 3.4Å; C229-C236 WeakPolarHBondContact SG-CB 3.16Å; C229-C236 CovalentContact SG-SG 2.04Å; C229-C236 PolarHBondContact SG-SG 2.81Å; C236-T250 WeakPolarHBondContact O-CA 3.01Å; C236-M251 PolarHBondContact N-O 3.08Å; C236-M251 PolarHBondContact O-N 3.06Å; C236-G253 VanDerWaalsContact CB-O 3.27Å; C236-G253 WeakPolarHBondContact CB-O 3.15Å; C236-G253 PolarHBondContact SG-O 3.39Å; C236-G253 VanDerWaalsContact SG-O 3.36Å; C236-P255 HydrophobicContact CB-CG 4.3Å |
| 237 | W | 94.7 | Very high | 91.6 | Very high | 33 Ų | 33 | 63.4 Ų | 63.4 | 13% | 0.125 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 165.2 | 179 | 56.5 | 90.5 | 0 | 0 | 0 | 110 | Y214 M227 Q228 W230 P245 T250 | Y214-W237 AromaticContact CD2-CH2 3.75Å; Y214-W237 HydrophobicContact CD2-CH2 3.75Å; Y214-W237 HydrophobicContact CD2-CZ2 4.06Å; Y214-W237 HydrophobicContact CE1-CZ2 4.38Å; Y214-W237 AromaticContact CE2-CH2 3.58Å; Y214-W237 HydrophobicContact CE2-CH2 3.58Å; Y214-W237 AromaticContact CE2-CZ2 3.48Å; Y214-W237 HydrophobicContact CE2-CZ2 3.48Å; Y214-W237 VanDerWaalsContact CE2-CZ2 3.48Å; Y214-W237 HydrophobicContact CG-CH2 4.48Å; Y214-W237 AromaticContact CZ-CZ2 3.64Å; M227-W237 WeakPolarHBondContact CA-O 3.04Å; Q228-W237 HydrophobicContact CB-CZ2 4.24Å; Q228-W237 PolarHBondContact N-O 2.97Å; Q228-W237 PolarHBondContact O-N 2.89Å; W230-W237 HydrophobicContact CB-CH2 3.88Å; W230-W237 HydrophobicContact CB-CZ3 3.87Å; W237-P245 HydrophobicContact CG-CB 4.3Å; W237-T250 HydrophobicContact CE3-CG2 4.47Å |
| 238 | C | 94.3 | Very high | 91.2 | Very high | 4 Ų | 4 | 64.8 Ų | 64.8 | 3% | 0.027 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 150.4 | 170.7 | -55.7 | 0 | 0 | 0 | 0 | 110.7 | P226 P245 I246 T249 C257 | P226-C238 CarbonylContact O-C 3.53Å; P226-C238 WeakPolarHBondContact O-CA 3.33Å; C238-P245 WeakPolarHBondContact O-CA 3.48Å; C238-I246 HydrophobicContact CB-CB 4.36Å; C238-I246 HydrophobicContact CB-CD1 3.95Å; C238-I246 HydrophobicContact CB-CG1 4.4Å; C238-I246 PolarHBondContact O-N 2.95Å; C238-T249 HydrophobicContact CB-CG2 4.03Å; C238-T249 PolarHBondContact N-OG1 3.24Å; C238-C257 VanDerWaalsContact CA-SG 3.5Å; C238-C257 HydrophobicContact CB-CB 3.8Å; C238-C257 WeakPolarHBondContact CB-SG 3.3Å; C238-C257 WeakPolarHBondContact SG-CA 3.14Å; C238-C257 WeakPolarHBondContact SG-CB 3.05Å; C238-C257 CovalentContact SG-SG 2.04Å; C238-C257 PolarHBondContact SG-SG 2.96Å |
| 239 | V | 93.7 | Very high | 91 | Very high | 10 Ų | 10 | 66.2 Ų | 66.2 | 6% | 0.061 | 38% | 0.379 | C | S | . | . | B | Isolated β-bridge | trans | -127.2 | 157.9 | 177.4 | -64.6 | 0 | 0 | 0 | 0 | 112.9 | K225 P226 Q228 N244 | K225-V239 WeakPolarHBondContact O-CG2 3.45Å; P226-V239 PolarHBondContact O-N 2.94Å; Q228-V239 HydrophobicContact CB-CG1 4.24Å; Q228-V239 HydrophobicContact CG-CB 4.27Å; Q228-V239 HydrophobicContact CG-CG1 3.5Å; Q228-V239 HydrophobicContact CG-CG2 3.71Å; V239-N244 CarbonylContact C-O 3.47Å; V239-N244 WeakPolarHBondContact CA-O 3.4Å; V239-N244 WeakPolarHBondContact CB-O 3.38Å |
| 240 | D | 90.4 | Very high | 90.8 | Very high | 66 Ų | 66 | 69.1 Ų | 69.1 | 35% | 0.353 | 40% | 0.396 | S | S | . | . | trans | -77.6 | 178.1 | 166.7 | 73.9 | 13.3 | 0 | 0 | 0 | 112.7 | S242 G243 N244 | D240-S242 PolarHBondContact O-N 2.91Å; D240-S242 VanDerWaalsContact O-N 3.15Å; D240-S242 VanDerWaalsContact OD1-CA 3.28Å; D240-S242 WeakPolarHBondContact OD1-CA 3.49Å; D240-S242 WeakPolarHBondContact OD1-CB 3.41Å; D240-S242 PolarHBondContact OD1-N 3.24Å; D240-G243 PolarHBondContact O-N 2.91Å; D240-G243 PolarHBondContact OD1-N 3.33Å; D240-N244 PolarHBondContact N-O 2.8Å; D240-N244 PolarHBondContact OD1-N 2.76Å; D240-N244 PolarHBondContact OD1-ND2 2.93Å; D240-N244 WeakPolarHBondContact OD2-CB 3.48Å; D240-N244 PolarHBondContact OD2-ND2 2.68Å | ||
| 241 | Q | 88.8 | Confident | 90.7 | Very high | 186 Ų | 186 | 68.7 Ų | 68.7 | 87% | 0.869 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -20.1 | 178.4 | -63.7 | 173.7 | 9.7 | 0 | 0 | 113.7 | ||
| 242 | S | 87.4 | Confident | 90.7 | Very high | 68 Ų | 68 | 69.6 Ų | 69.6 | 48% | 0.476 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -5 | 178.5 | -63.3 | 0 | 0 | 0 | 0 | 113.2 | K199 Y224 D240 | K199-S242 PolarHBondContact NZ-O 2.82Å; Y224-S242 VanDerWaalsContact CE2-O 3.25Å; Y224-S242 WeakPolarHBondContact CE2-O 3.42Å; D240-S242 PolarHBondContact O-N 2.91Å; D240-S242 VanDerWaalsContact O-N 3.15Å; D240-S242 VanDerWaalsContact OD1-CA 3.28Å; D240-S242 WeakPolarHBondContact OD1-CA 3.49Å; D240-S242 WeakPolarHBondContact OD1-CB 3.41Å; D240-S242 PolarHBondContact OD1-N 3.24Å |
| 243 | G | 90.1 | Very high | 90.6 | Very high | 15 Ų | 15 | 68.2 Ų | 68.2 | 16% | 0.155 | 39% | 0.388 | C | S | . | . | S | Bend | trans | 91.6 | 7.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y224 D240 | Y224-G243 VanDerWaalsContact CD2-CA 3.42Å; Y224-G243 VanDerWaalsContact CG-CA 3.48Å; D240-G243 PolarHBondContact O-N 2.91Å; D240-G243 PolarHBondContact OD1-N 3.33Å |
| 244 | N | 91.4 | Very high | 90.4 | Very high | 82 Ų | 82 | 75.8 Ų | 75.8 | 44% | 0.439 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -78.6 | 136.9 | -178.9 | -52.7 | -58.6 | 0 | 0 | 0 | 111.1 | V239 D240 | V239-N244 CarbonylContact C-O 3.47Å; V239-N244 WeakPolarHBondContact CA-O 3.4Å; V239-N244 WeakPolarHBondContact CB-O 3.38Å; D240-N244 PolarHBondContact N-O 2.8Å; D240-N244 PolarHBondContact OD1-N 2.76Å; D240-N244 PolarHBondContact OD1-ND2 2.93Å; D240-N244 WeakPolarHBondContact OD2-CB 3.48Å; D240-N244 PolarHBondContact OD2-ND2 2.68Å |
| 245 | P | 90.9 | Very high | 90.4 | Very high | 73 Ų | 73 | 74.7 Ų | 74.7 | 47% | 0.474 | 40% | 0.398 | S | S | . | . | B | Isolated β-bridge | trans | -68 | 133.1 | 179.5 | 28 | -34.9 | 0 | 0 | 0 | 112.8 | W237 C238 | W237-P245 HydrophobicContact CG-CB 4.3Å; C238-P245 WeakPolarHBondContact O-CA 3.48Å |
| 246 | I | 90.9 | Very high | 90.1 | Very high | 73 Ų | 73 | 75.5 Ų | 75.5 | 37% | 0.374 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -79.3 | 120.2 | 174.2 | -57.5 | 178.1 | 0 | 0 | 0 | 108.8 | C238 T249 | C238-I246 HydrophobicContact CB-CB 4.36Å; C238-I246 HydrophobicContact CB-CD1 3.95Å; C238-I246 HydrophobicContact CB-CG1 4.4Å; C238-I246 PolarHBondContact O-N 2.95Å; I246-T249 HydrophobicContact CB-CG2 3.91Å; I246-T249 HydrophobicContact CG2-CG2 3.78Å; I246-T249 WeakPolarHBondContact O-CB 3.37Å; I246-T249 PolarHBondContact O-N 3.36Å; I246-T249 PolarHBondContact O-OG1 2.91Å |
| 247 | Q | 89.1 | Confident | 89.6 | Confident | 174 Ų | 174 | 76.3 Ų | 76.3 | 81% | 0.813 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | 138.5 | -177.2 | -61.9 | -66.3 | 3.9 | 0 | 0 | 112.1 | T249 | Q247-T249 VanDerWaalsContact C-N 3.31Å; Q247-T249 PolarHBondContact O-N 2.04Å |
| 248 | G | 85.9 | Confident | 88.9 | Confident | 81 Ų | 81 | 81.9 Ų | 81.9 | 84% | 0.835 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.2 | 3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 249 | T | 89.7 | Confident | 87.4 | Confident | 31 Ų | 31 | 90.7 Ų | 90.7 | 19% | 0.19 | 48% | 0.476 | C | S | . | . | trans | -98.1 | -7.2 | 176.8 | 68.3 | 0 | 0 | 0 | 0 | 114.3 | C238 I246 Q247 M251 | C238-T249 HydrophobicContact CB-CG2 4.03Å; C238-T249 PolarHBondContact N-OG1 3.24Å; I246-T249 HydrophobicContact CB-CG2 3.91Å; I246-T249 HydrophobicContact CG2-CG2 3.78Å; I246-T249 WeakPolarHBondContact O-CB 3.37Å; I246-T249 PolarHBondContact O-N 3.36Å; I246-T249 PolarHBondContact O-OG1 2.91Å; Q247-T249 VanDerWaalsContact C-N 3.31Å; Q247-T249 PolarHBondContact O-N 2.04Å; T249-M251 PolarHBondContact O-N 2.81Å | ||
| 250 | T | 91.7 | Very high | 85.3 | Confident | 76 Ų | 76 | 93 Ų | 93 | 47% | 0.466 | 50% | 0.502 | S | S | . | . | trans | -73 | 117.4 | -178.9 | -49.2 | 0 | 0 | 0 | 0 | 111.7 | F235 C236 W237 | F235-T250 HydrophobicContact CB-CG2 4.41Å; F235-T250 HydrophobicContact CD1-CG2 4.13Å; C236-T250 WeakPolarHBondContact O-CA 3.01Å; W237-T250 HydrophobicContact CE3-CG2 4.47Å | ||
| 251 | M | 90.4 | Very high | 83.6 | Confident | 82 Ų | 82 | 95.3 Ų | 95.3 | 40% | 0.404 | 53% | 0.531 | S | S | . | . | B | Isolated β-bridge | trans | -151.6 | 162 | -179.2 | 61.2 | -172.9 | -123.8 | 0 | 0 | 112.2 | F235 C236 T249 G253 R254 P255 | F235-M251 WeakPolarHBondContact CA-O 3.35Å; C236-M251 PolarHBondContact N-O 3.08Å; C236-M251 PolarHBondContact O-N 3.06Å; T249-M251 PolarHBondContact O-N 2.81Å; M251-G253 PolarHBondContact O-N 3.14Å; M251-R254 VanDerWaalsContact CE-C 3.44Å; M251-R254 WeakPolarHBondContact CE-O 3.27Å; M251-P255 HydrophobicContact CE-CB 4.32Å; M251-P255 HydrophobicContact CG-CB 4.29Å; M251-P255 HydrophobicContact SD-CB 3.99Å |
| 252 | R | 89.5 | Confident | 81.9 | Confident | 172 Ų | 172 | 88.9 Ų | 88.9 | 65% | 0.649 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -81.3 | 107.5 | 166.9 | -67.4 | -177.5 | 177.7 | -80.9 | 1.3 | 108.4 | T233 G234 F235 | T233-R252 PolarHBondContact O-NH1 3.42Å; G234-R252 WeakPolarHBondContact O-CA 3.36Å; F235-R252 HydrophobicContact CD1-CG 3.92Å; F235-R252 HydrophobicContact CE1-CG 3.72Å; F235-R252 HydrophobicContact CE2-CG 4.46Å; F235-R252 HydrophobicContact CG-CG 4.38Å; F235-R252 HydrophobicContact CZ-CG 4.02Å |
| 253 | G | 84.8 | Confident | 79.8 | Confident | 37 Ų | 37 | 94.4 Ų | 94.4 | 38% | 0.381 | 53% | 0.53 | S | S | . | . | S | Bend | trans | 130.8 | -162.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | C236 M251 P255 | C236-G253 VanDerWaalsContact CB-O 3.27Å; C236-G253 WeakPolarHBondContact CB-O 3.15Å; C236-G253 PolarHBondContact SG-O 3.39Å; C236-G253 VanDerWaalsContact SG-O 3.36Å; M251-G253 PolarHBondContact O-N 3.14Å; G253-P255 WeakPolarHBondContact O-CD 3.24Å |
| 254 | R | 87.2 | Confident | 78 | Confident | 207 Ų | 207 | 105 Ų | 105 | 78% | 0.781 | 57% | 0.565 | S | S | * | * | trans | -105.3 | 101.6 | -172.9 | -165.8 | -175.5 | 179.1 | 158.2 | -1.9 | 111.6 | M227 M251 | M227-R254 HydrophobicContact CE-CG 4.02Å; M227-R254 HydrophobicContact SD-CB 4.41Å; M227-R254 HydrophobicContact SD-CG 3.4Å; M227-R254 WeakPolarHBondContact SD-CG 3.07Å; M251-R254 VanDerWaalsContact CE-C 3.44Å; M251-R254 WeakPolarHBondContact CE-O 3.27Å | ||
| 255 | P | 88.8 | Confident | 75.8 | Confident | 12 Ų | 12 | 112 Ų | 112 | 8% | 0.078 | 59% | 0.586 | C | S | . | * | trans | -70.8 | 149.3 | -179.1 | 27.6 | -35.2 | 0 | 0 | 0 | 112.8 | M227 C236 M251 G253 C257 | M227-P255 HydrophobicContact CG-CG 3.99Å; M227-P255 HydrophobicContact SD-CG 4.3Å; C236-P255 HydrophobicContact CB-CG 4.3Å; M251-P255 HydrophobicContact CE-CB 4.32Å; M251-P255 HydrophobicContact CG-CB 4.29Å; M251-P255 HydrophobicContact SD-CB 3.99Å; G253-P255 WeakPolarHBondContact O-CD 3.24Å; P255-C257 PolarHBondContact O-N 3.48Å | ||
| 256 | D | 87.1 | Confident | 73.7 | Confident | 90 Ų | 90 | 116.1 Ų | 116.1 | 48% | 0.481 | 60% | 0.6 | S | S | . | * | trans | -83 | 89 | 174.9 | 179.3 | 7.5 | 0 | 0 | 0 | 110.4 | N258 R259 | D256-N258 VanDerWaalsContact C-N 3.29Å; D256-N258 PolarHBondContact O-N 3.29Å; D256-N258 PolarHBondContact OD1-N 2.91Å; D256-R259 WeakPolarHBondContact OD2-CD 3.46Å; D256-R259 WeakPolarHBondContact OD2-CG 3.2Å; D256-R259 IonicContact OD2-CZ 3.23Å; D256-R259 IonicContact OD2-NE 3.74Å; D256-R259 PolarHBondContact OD2-NE 3.48Å | ||
| 257 | C | 85.5 | Confident | 71.7 | Confident | 31 Ų | 31 | 121.3 Ų | 121.3 | 21% | 0.209 | 63% | 0.625 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -83.4 | 1.3 | 179.6 | -50.9 | 0 | 0 | 0 | 0 | 114.1 | P226 C238 P255 | P226-C257 HydrophobicContact CB-CB 4.08Å; P226-C257 PolarHBondContact O-SG 2.79Å; C238-C257 VanDerWaalsContact CA-SG 3.5Å; C238-C257 HydrophobicContact CB-CB 3.8Å; C238-C257 WeakPolarHBondContact CB-SG 3.3Å; C238-C257 WeakPolarHBondContact SG-CA 3.14Å; C238-C257 WeakPolarHBondContact SG-CB 3.05Å; C238-C257 CovalentContact SG-SG 2.04Å; C238-C257 PolarHBondContact SG-SG 2.96Å; P255-C257 PolarHBondContact O-N 3.48Å |
| 258 | N | 79.6 | Confident | 69.8 | Low | 150 Ų | 150 | 118.8 Ų | 118.8 | 80% | 0.802 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.7 | -18.6 | 178.2 | -75.7 | -9 | 0 | 0 | 0 | 112.7 | D256 G260 | D256-N258 VanDerWaalsContact C-N 3.29Å; D256-N258 PolarHBondContact O-N 3.29Å; D256-N258 PolarHBondContact OD1-N 2.91Å; N258-G260 VanDerWaalsContact C-N 3.25Å; N258-G260 PolarHBondContact O-N 3.39Å |
| 259 | R | 62.7 | Low | 67.7 | Low | 189 Ų | 189 | 119.1 Ų | 119.1 | 71% | 0.713 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -74.1 | 80.9 | 166.8 | -69.8 | -179.1 | -163.4 | -131.9 | -3.8 | 109.9 | D256 A261 | D256-R259 WeakPolarHBondContact OD2-CD 3.46Å; D256-R259 WeakPolarHBondContact OD2-CG 3.2Å; D256-R259 IonicContact OD2-CZ 3.23Å; D256-R259 IonicContact OD2-NE 3.74Å; D256-R259 PolarHBondContact OD2-NE 3.48Å; R259-A261 PolarHBondContact O-N 2.89Å |
| 260 | G | 50.1 | Low | 65.3 | Low | 59 Ų | 59 | 123 Ų | 123 | 61% | 0.608 | 64% | 0.642 | S | S | * | * | trans | -53.1 | 128.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | N258 G262 | N258-G260 VanDerWaalsContact C-N 3.25Å; N258-G260 PolarHBondContact O-N 3.39Å; G260-G262 VanDerWaalsContact O-CA 3.31Å; G260-G262 WeakPolarHBondContact O-CA 3.46Å; G260-G262 PolarHBondContact O-N 3.43Å | ||
| 261 | A | 53.5 | Low | 63.4 | Low | 114 Ų | 114 | 130.8 Ų | 130.8 | 94% | 0.942 | 66% | 0.663 | S | S | * | * | S | Bend | trans | 43 | 15.4 | 152.4 | 0 | 0 | 0 | 0 | 0 | 120 | R259 | R259-A261 PolarHBondContact O-N 2.89Š|
| 262 | G | 52.7 | Low | 61.4 | Low | 51 Ų | 51 | 134.9 Ų | 134.9 | 53% | 0.526 | 68% | 0.683 | S | S | . | * | trans | -153.9 | 27.2 | -147.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | G260 | G260-G262 VanDerWaalsContact O-CA 3.31Å; G260-G262 WeakPolarHBondContact O-CA 3.46Å; G260-G262 PolarHBondContact O-N 3.43Å | ||
| 263 | F | 44.8 | Very low | 59.4 | Low | 183 Ų | 183 | 135.4 Ų | 135.4 | 80% | 0.803 | 70% | 0.695 | S | S | * | * | trans | -134.3 | 100.7 | 159.4 | -88.2 | -73.8 | 0 | 0 | 0 | 113 | R265 | F263-R265 VanDerWaalsContact C-N 3.3Å; F263-R265 PolarHBondContact O-N 2.79Å | ||
| 264 | R | 51.6 | Low | 57.4 | Low | 237 Ų | 237 | 142.3 Ų | 142.3 | 89% | 0.894 | 72% | 0.717 | S | S | * | * | trans | -62.1 | 88.6 | 158.9 | -69.8 | -178.4 | 173 | -154 | -0.1 | 109.5 | ||||
| 265 | R | 46.2 | Very low | 55.3 | Low | 231 Ų | 231 | 141.1 Ų | 141.1 | 87% | 0.872 | 72% | 0.718 | S | S | * | * | trans | -93.7 | 92.4 | 148.5 | -85.1 | -169.4 | 172.9 | -175.2 | -1.9 | 107.9 | F263 M267 | F263-R265 VanDerWaalsContact C-N 3.3Å; F263-R265 PolarHBondContact O-N 2.79Å; R265-M267 VanDerWaalsContact C-N 3.27Å; R265-M267 PolarHBondContact O-N 2.9Å | ||
| 266 | M | 46 | Very low | 53.2 | Low | 158 Ų | 158 | 147.3 Ų | 147.3 | 78% | 0.778 | 76% | 0.755 | S | S | * | * | trans | -65.2 | 87.8 | 171.4 | -178.7 | -178.8 | -83 | 0 | 0 | 108.8 | V268 | M266-V268 HydrophobicContact CG-CG2 3.94Å; M266-V268 HydrophobicContact SD-CG2 4.44Å | ||
| 267 | M | 48 | Very low | 51.2 | Low | 183 Ų | 183 | 152.6 Ų | 152.6 | 90% | 0.901 | 78% | 0.775 | S | S | * | * | trans | -85.8 | 117.8 | 159.7 | -70.3 | -97.9 | -99.9 | 0 | 0 | 106.5 | R265 | R265-M267 VanDerWaalsContact C-N 3.27Å; R265-M267 PolarHBondContact O-N 2.9Å | ||
| 268 | V | 49.8 | Very low | 49.3 | Very low | 120 Ų | 120 | 158.8 Ų | 158.8 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | trans | -83.8 | 139.5 | -172.7 | 171.5 | 0 | 0 | 0 | 0 | 110.7 | M266 | M266-V268 HydrophobicContact CG-CG2 3.94Å; M266-V268 HydrophobicContact SD-CG2 4.44Å | ||
| 269 | A | 41.2 | Very low | 47.6 | Very low | 89 Ų | 89 | 160.4 Ų | 160.4 | 74% | 0.736 | 81% | 0.807 | S | S | * | * | trans | 73.7 | 157.8 | 164.3 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 270 | P | 40.7 | Very low | 46.5 | Very low | 112 Ų | 112 | 160 Ų | 160 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | cis | -110.2 | 162.2 | -1.4 | 37.9 | -27.4 | 0 | 0 | 0 | 115.1 | M272 | P270-M272 PolarHBondContact O-N 3.28Š| ||
| 271 | R | 50.9 | Low | 46.1 | Very low | 240 Ų | 240 | 164.4 Ų | 164.4 | 91% | 0.906 | 82% | 0.818 | S | S | * | * | trans | -67.3 | 109.4 | 168.1 | -81.3 | 177.7 | 158.2 | -159.7 | -3.2 | 110.6 | ||||
| 272 | M | 48.6 | Very low | 45.5 | Very low | 167 Ų | 167 | 163 Ų | 163 | 82% | 0.823 | 82% | 0.816 | S | S | * | * | trans | -158 | 133.8 | 153.7 | -58 | -63.3 | 168.2 | 0 | 0 | 106.4 | P270 | P270-M272 PolarHBondContact O-N 3.28Š| ||
| 273 | M | 47.3 | Very low | 45 | Very low | 183 Ų | 183 | 169 Ų | 169 | 90% | 0.901 | 83% | 0.827 | S | S | * | * | cis | -127.4 | 153.8 | -8.5 | -66.6 | -176.8 | 120.1 | 0 | 0 | 109.3 | ||||
| 274 | Q | 44.1 | Very low | 45 | Very low | 182 Ų | 182 | 166.7 Ų | 166.7 | 85% | 0.85 | 83% | 0.827 | S | S | * | * | trans | -115.4 | 141.2 | 164 | -173.2 | 167.4 | 13.4 | 0 | 0 | 108.3 | ||||
| 275 | K | 42.4 | Very low | 44.5 | Very low | 183 Ų | 183 | 166.3 Ų | 166.3 | 80% | 0.796 | 84% | 0.843 | S | S | * | * | trans | 65.9 | 112.9 | -177.2 | -64.4 | 180 | 174.5 | -174.6 | 0 | 116.7 | ||||
| 276 | T | 44 | Very low | 44.4 | Very low | 141 Ų | 141 | 163.1 Ų | 163.1 | 87% | 0.865 | 84% | 0.842 | S | S | * | * | -145.2 | 73.4 | 120.9 | 27 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 277 | F | 45.9 | Very low | 44.3 | Very low | 202 Ų | 202 | 163.3 Ų | 163.3 | 89% | 0.886 | 85% | 0.845 | S | S | * | * | trans | -108.2 | 137.6 | 150.1 | -88.9 | -83.5 | 0 | 0 | 0 | 106.1 | ||||
| 278 | L | 44.4 | Very low | 44.1 | Very low | 160 Ų | 160 | 162.2 Ų | 162.2 | 84% | 0.838 | 84% | 0.842 | S | S | * | * | S | Bend | trans | 85.7 | 141.2 | -171.2 | -51.5 | 177.7 | 0 | 0 | 0 | 115.5 | ||
| 279 | E | 44.4 | Very low | 43.8 | Very low | 184 Ų | 184 | 164.7 Ų | 164.7 | 86% | 0.86 | 85% | 0.849 | S | S | * | * | trans | 72.7 | 84.1 | 170.9 | -62.5 | 175.7 | 142.6 | 0 | 0 | 117.6 | ||||
| 280 | E | 40.1 | Very low | 43.9 | Very low | 180 Ų | 180 | 169.4 Ų | 169.4 | 84% | 0.841 | 86% | 0.856 | S | S | * | * | -139.8 | 93.4 | 129.5 | -82.5 | -67.6 | 132.5 | 0 | 0 | 104.7 | |||||
| 281 | E | 42.3 | Very low | 44.1 | Very low | 152 Ų | 152 | 173.3 Ų | 173.3 | 71% | 0.71 | 86% | 0.864 | S | S | * | * | 85.9 | 82.7 | 97.5 | -82.1 | -68.8 | 97.7 | 0 | 0 | 112.8 | |||||
| 282 | G | 39.5 | Very low | 43.7 | Very low | 86 Ų | 86 | 168.5 Ų | 168.5 | 89% | 0.887 | 86% | 0.861 | S | S | * | * | trans | -108.7 | 74.4 | 164.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 283 | K | 42 | Very low | 43.3 | Very low | 177 Ų | 177 | 168.6 Ų | 168.6 | 77% | 0.77 | 86% | 0.864 | S | S | * | * | trans | -142 | 104.8 | 167.7 | -156.3 | 166.7 | -171.7 | 175 | 0 | 112.7 | ||||
| 284 | V | 45.8 | Very low | 42.9 | Very low | 133 Ų | 133 | 167.4 Ų | 167.4 | 81% | 0.806 | 86% | 0.861 | S | S | * | * | trans | -66.4 | 134.4 | 166.2 | 169.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 285 | N | 40.5 | Very low | 42.8 | Very low | 229 Ų | 229 | 166.1 Ų | 166.1 | 100% | 1.225 | 86% | 0.862 | S | S | * | * | trans | -154.3 | 0 | 142.8 | -100.2 | -5.5 | 0 | 0 | 0 | 108 |
Retrieved 285 of 285 residues in 64.6 ms
(Link to these results)