| 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 | 41.4 | Very low | 39.1 | Very low | 240 Ų | 240 | 165.7 Ų | 165.7 | 100% | 1.182 | 82% | 0.823 | S | S | * | * | 0 | 77.9 | 0 | -67.2 | 169.9 | 171.5 | 0 | 0 | 106.6 | |||||
| 2 | R | 34.8 | Very low | 38.7 | Very low | 246 Ų | 246 | 164.9 Ų | 164.9 | 93% | 0.928 | 82% | 0.823 | S | S | * | * | 65.3 | 93 | 100.5 | -75.6 | -170.4 | -178.4 | -179.2 | 1.2 | 113.5 | |||||
| 3 | S | 37.3 | Very low | 38.4 | Very low | 113 Ų | 113 | 164.7 Ų | 164.7 | 79% | 0.79 | 83% | 0.825 | S | S | * | * | trans | -61.8 | 151.6 | 140.1 | 37.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 4 | P | 46.5 | Very low | 38.3 | Very low | 110 Ų | 110 | 165.4 Ų | 165.4 | 71% | 0.714 | 83% | 0.831 | S | S | * | * | -151.9 | 144.9 | 96.4 | 38.4 | -18.4 | 0 | 0 | 0 | 113.2 | |||||
| 5 | S | 32.6 | Very low | 38.6 | Very low | 87 Ų | 87 | 165.3 Ų | 165.3 | 61% | 0.608 | 83% | 0.833 | S | S | * | * | 80.5 | 139.3 | 82.3 | 97.6 | 0 | 0 | 0 | 0 | 116 | |||||
| 6 | W | 31.7 | Very low | 38.8 | Very low | 237 Ų | 237 | 164.3 Ų | 164.3 | 90% | 0.898 | 83% | 0.83 | S | S | * | * | trans | 82.8 | 146.6 | 154.4 | -65.8 | 16.3 | 0 | 0 | 0 | 116.7 | ||||
| 7 | S | 31.9 | Very low | 38.8 | Very low | 97 Ų | 97 | 164.8 Ų | 164.8 | 68% | 0.678 | 83% | 0.834 | S | S | * | * | cis | -174.9 | 153.7 | -12.8 | 43.8 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 8 | R | 42.9 | Very low | 38.9 | Very low | 229 Ų | 229 | 164.3 Ų | 164.3 | 86% | 0.864 | 83% | 0.833 | S | S | * | * | trans | -50.5 | 157.6 | 177 | -64.9 | 174.8 | 174.5 | 174.3 | -1.8 | 113 | ||||
| 9 | P | 38.4 | Very low | 38.6 | Very low | 125 Ų | 125 | 164.2 Ų | 164.2 | 81% | 0.812 | 83% | 0.834 | S | S | * | * | -138.2 | 141.2 | 108.1 | 32.9 | -18 | 0 | 0 | 0 | 114.1 | |||||
| 10 | R | 43.2 | Very low | 38.7 | Very low | 229 Ų | 229 | 161.4 Ų | 161.4 | 86% | 0.864 | 83% | 0.83 | S | S | * | * | trans | -94.7 | 174 | 147.7 | -76.3 | 179 | 166.5 | 174.6 | -4.9 | 106.3 | ||||
| 11 | P | 48.7 | Very low | 38.9 | Very low | 110 Ų | 110 | 159.2 Ų | 159.2 | 71% | 0.714 | 83% | 0.826 | S | S | * | * | cis | -129.2 | -163 | -22.1 | 26.3 | -1.7 | 0 | 0 | 0 | 110.8 | ||||
| 12 | L | 34.8 | Very low | 38.9 | Very low | 156 Ų | 156 | 159.2 Ų | 159.2 | 82% | 0.817 | 81% | 0.813 | S | S | * | * | trans | 83.3 | 90.3 | 165 | -70.2 | 147.7 | 0 | 0 | 0 | 118.1 | ||||
| 13 | L | 35.1 | Very low | 39.4 | Very low | 162 Ų | 162 | 152.8 Ų | 152.8 | 85% | 0.848 | 80% | 0.803 | S | S | * | * | 174.1 | 99.6 | 116.8 | -121.2 | 88.1 | 0 | 0 | 0 | 108.9 | |||||
| 14 | L | 37.3 | Very low | 39.7 | Very low | 174 Ų | 174 | 152.3 Ų | 152.3 | 91% | 0.911 | 80% | 0.795 | S | S | * | * | trans | -159.4 | 56.2 | 145.3 | -125.5 | 114.4 | 0 | 0 | 0 | 109.2 | ||||
| 15 | L | 41.9 | Very low | 39.4 | Very low | 165 Ų | 165 | 158.4 Ų | 158.4 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | trans | -83.9 | 106.7 | 156.3 | -169.6 | 92.4 | 0 | 0 | 0 | 105.2 | ||||
| 16 | L | 41.6 | Very low | 39.7 | Very low | 149 Ų | 149 | 158.9 Ų | 158.9 | 78% | 0.78 | 81% | 0.814 | S | S | * | * | trans | 168.4 | 58.4 | 156.1 | -91.9 | 160 | 0 | 0 | 0 | 112.1 | ||||
| 17 | L | 38.9 | Very low | 40.2 | Very low | 172 Ų | 172 | 156.6 Ų | 156.6 | 90% | 0.901 | 81% | 0.813 | S | S | * | * | trans | -135.3 | 37.8 | 160.6 | -81.7 | 174.8 | 0 | 0 | 0 | 111.7 | ||||
| 18 | L | 40.4 | Very low | 40.5 | Very low | 157 Ų | 157 | 158.5 Ų | 158.5 | 82% | 0.822 | 82% | 0.82 | S | S | * | * | trans | -113.1 | 114.8 | 156.9 | -77.4 | 166.2 | 0 | 0 | 0 | 106.3 | ||||
| 19 | L | 34.4 | Very low | 40.4 | Very low | 161 Ų | 161 | 152 Ų | 152 | 84% | 0.843 | 81% | 0.81 | S | S | * | * | trans | 142.7 | 79 | 164.8 | -78.2 | 155.6 | 0 | 0 | 0 | 108.5 | ||||
| 20 | S | 39.3 | Very low | 40.7 | Very low | 108 Ų | 108 | 152.2 Ų | 152.2 | 76% | 0.755 | 81% | 0.808 | S | S | * | * | 126.9 | 168.2 | 99.5 | 64.8 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 21 | P | 44.2 | Very low | 40.6 | Very low | 116 Ų | 116 | 147 Ų | 147 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | cis | -126.7 | 163.3 | -36.6 | 31 | -13.1 | 0 | 0 | 0 | 112.2 | ||||
| 22 | W | 41 | Very low | 40.3 | Very low | 241 Ų | 241 | 145.7 Ų | 145.7 | 91% | 0.913 | 80% | 0.8 | S | S | * | * | trans | -54.6 | 150.8 | 157.7 | -106.6 | -47.6 | 0 | 0 | 0 | 110.4 | ||||
| 23 | P | 45.4 | Very low | 40.4 | Very low | 111 Ų | 111 | 143.1 Ų | 143.1 | 72% | 0.721 | 80% | 0.796 | S | S | * | * | -147 | 140.4 | 80.7 | 45.9 | -28.4 | 0 | 0 | 0 | 112.4 | |||||
| 24 | V | 42.3 | Very low | 41 | Very low | 102 Ų | 102 | 141.1 Ų | 141.1 | 62% | 0.618 | 79% | 0.793 | S | S | * | * | 88.3 | 105.3 | 95.3 | 162.4 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 25 | W | 40.6 | Very low | 41.4 | Very low | 238 Ų | 238 | 138.7 Ų | 138.7 | 90% | 0.902 | 79% | 0.79 | S | S | * | * | trans | 83.6 | 103 | 143.6 | -56 | 30.7 | 0 | 0 | 0 | 118.3 | ||||
| 26 | A | 38.9 | Very low | 41.4 | Very low | 98 Ų | 98 | 133.5 Ų | 133.5 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | -176.6 | 71.9 | 125.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | V28 | A26-V28 PolarHBondContact O-N 3.07Š| |||
| 27 | Q | 42.2 | Very low | 41.4 | Very low | 189 Ų | 189 | 131.2 Ų | 131.2 | 88% | 0.883 | 77% | 0.772 | S | S | * | * | trans | -74.6 | 120 | 156.2 | -77.5 | -163.1 | -26.9 | 0 | 0 | 107 | S29 | Q27-S29 PolarHBondContact O-N 2.76Š| ||
| 28 | V | 39.8 | Very low | 41.7 | Very low | 136 Ų | 136 | 128.8 Ų | 128.8 | 82% | 0.824 | 77% | 0.767 | S | S | * | * | trans | -63.7 | 95 | 160.6 | 174.6 | 0 | 0 | 0 | 0 | 106.1 | A26 V30 | A26-V28 PolarHBondContact O-N 3.07Å; V28-V30 PolarHBondContact O-N 3.08Å; V28-V30 VanDerWaalsContact O-N 3.09Å | ||
| 29 | S | 39.5 | Very low | 42 | Very low | 94 Ų | 94 | 124.2 Ų | 124.2 | 66% | 0.657 | 76% | 0.758 | S | S | * | * | trans | -67.8 | 99.7 | 165.1 | 42 | 0 | 0 | 0 | 0 | 107.5 | Q27 T31 | Q27-S29 PolarHBondContact O-N 2.76Å; S29-T31 VanDerWaalsContact C-N 3.26Å; S29-T31 PolarHBondContact O-N 3.22Å | ||
| 30 | V | 45 | Very low | 43 | Very low | 128 Ų | 128 | 119.6 Ų | 119.6 | 78% | 0.776 | 74% | 0.743 | S | S | * | * | trans | -63.5 | 99.5 | 153.7 | 176.6 | 0 | 0 | 0 | 0 | 105.3 | V28 A32 | V28-V30 PolarHBondContact O-N 3.08Å; V28-V30 VanDerWaalsContact O-N 3.09Å; V30-A32 PolarHBondContact O-N 3.17Å | ||
| 31 | T | 40.7 | Very low | 44.2 | Very low | 121 Ų | 121 | 120.7 Ų | 120.7 | 74% | 0.742 | 75% | 0.748 | S | S | * | * | trans | -67.5 | 82.1 | 166.8 | 47.3 | 0 | 0 | 0 | 0 | 108.3 | S29 | S29-T31 VanDerWaalsContact C-N 3.26Å; S29-T31 PolarHBondContact O-N 3.22Å | ||
| 32 | A | 42.2 | Very low | 45.6 | Very low | 81 Ų | 81 | 117.6 Ų | 117.6 | 67% | 0.669 | 73% | 0.725 | S | S | * | * | trans | -81.9 | 101.7 | 150.3 | 0 | 0 | 0 | 0 | 0 | 106 | V30 P34 | V30-A32 PolarHBondContact O-N 3.17Å; A32-P34 VanDerWaalsContact O-CD 3.23Å; A32-P34 WeakPolarHBondContact O-CD 3.47Å | ||
| 33 | S | 38.6 | Very low | 47.6 | Very low | 102 Ų | 102 | 107.6 Ų | 107.6 | 71% | 0.713 | 69% | 0.691 | S | S | * | * | trans | -57 | 120.2 | 168.6 | -54.1 | 0 | 0 | 0 | 0 | 109.3 | S35 | S33-S35 VanDerWaalsContact C-N 3.3Å; S33-S35 PolarHBondContact O-N 2.76Å | ||
| 34 | P | 46.5 | Very low | 49.4 | Very low | 121 Ų | 121 | 102.6 Ų | 102.6 | 79% | 0.786 | 66% | 0.658 | S | S | * | * | trans | -83.3 | 88.8 | 152.1 | 31.2 | -19.6 | 0 | 0 | 0 | 105.5 | A32 G36 | A32-P34 VanDerWaalsContact O-CD 3.23Å; A32-P34 WeakPolarHBondContact O-CD 3.47Å; P34-G36 PolarHBondContact O-N 3.17Å | ||
| 35 | S | 45.8 | Very low | 51.3 | Low | 123 Ų | 123 | 107.3 Ų | 107.3 | 86% | 0.86 | 67% | 0.674 | S | S | * | * | trans | -74.7 | 67.5 | 154.6 | 57.9 | 0 | 0 | 0 | 0 | 107.4 | S33 | S33-S35 VanDerWaalsContact C-N 3.3Å; S33-S35 PolarHBondContact O-N 2.76Å | ||
| 36 | G | 41.6 | Very low | 53.5 | Low | 55 Ų | 55 | 100 Ų | 100 | 57% | 0.567 | 66% | 0.656 | S | S | * | * | trans | -134.3 | 107.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 106.5 | P34 | P34-G36 PolarHBondContact O-N 3.17Š| ||
| 37 | S | 41.4 | Very low | 56 | Low | 101 Ų | 101 | 96 Ų | 96 | 71% | 0.706 | 62% | 0.621 | S | S | * | * | trans | -38.6 | 142.9 | 157.3 | 166.4 | 0 | 0 | 0 | 0 | 109.2 | G39 | S37-G39 PolarHBondContact O-N 3.1Š| ||
| 38 | P | 45.3 | Very low | 58.4 | Low | 122 Ų | 122 | 91.5 Ų | 91.5 | 79% | 0.792 | 61% | 0.607 | S | S | * | * | trans | -52 | 111.2 | 166.9 | 23.4 | -31.3 | 0 | 0 | 0 | 107 | A40 | P38-A40 PolarHBondContact O-N 2.97Š| ||
| 39 | G | 48.2 | Very low | 60.9 | Low | 61 Ų | 61 | 87.5 Ų | 87.5 | 63% | 0.629 | 58% | 0.584 | S | S | * | * | trans | -58.8 | 134 | -175.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | S37 | S37-G39 PolarHBondContact O-N 3.1Š| ||
| 40 | A | 55.3 | Low | 63.2 | Low | 63 Ų | 63 | 86.9 Ų | 86.9 | 52% | 0.521 | 58% | 0.576 | S | S | . | * | trans | -49.7 | 132.1 | 167.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | P38 D42 C43 | P38-A40 PolarHBondContact O-N 2.97Å; A40-D42 PolarHBondContact O-N 2.91Å; A40-C43 PolarHBondContact O-N 3.46Å; A40-C43 VanDerWaalsContact O-N 3.13Å | ||
| 41 | P | 63.8 | Low | 65.1 | Low | 132 Ų | 132 | 86.9 Ų | 86.9 | 86% | 0.857 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.3 | 1.3 | -171.9 | 24.2 | -35 | 0 | 0 | 0 | 114.9 | ||
| 42 | D | 74.4 | Confident | 67.2 | Low | 51 Ų | 51 | 84.3 Ų | 84.3 | 27% | 0.273 | 58% | 0.577 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -112.8 | 8.3 | -174.3 | -63.7 | -49.4 | 0 | 0 | 0 | 113 | A40 S70 R72 | A40-D42 PolarHBondContact O-N 2.91Å; D42-S70 PolarHBondContact O-OG 3.17Å; D42-R72 WeakPolarHBondContact OD2-CD 3.47Å; D42-R72 IonicContact OD2-CZ 3.25Å; D42-R72 IonicContact OD2-NE 3.47Å; D42-R72 IonicContact OD2-NH1 2.76Å; D42-R72 PolarHBondContact OD2-NH1 2.78Å |
| 43 | C | 81.8 | Confident | 69.5 | Low | 31 Ų | 31 | 81.2 Ų | 81.2 | 21% | 0.209 | 55% | 0.553 | C | S | . | * | S | Bend | trans | -109.8 | 132.9 | -178 | -168.7 | 0 | 0 | 0 | 0 | 112.1 | A40 C47 C49 | A40-C43 PolarHBondContact O-N 3.46Å; A40-C43 VanDerWaalsContact O-N 3.13Å; C43-C47 PolarHBondContact SG-O 3.4Å; C43-C49 VanDerWaalsContact CA-SG 3.51Å; C43-C49 HydrophobicContact CB-CB 3.65Å; C43-C49 WeakPolarHBondContact CB-SG 3.37Å; C43-C49 WeakPolarHBondContact SG-CB 3.28Å; C43-C49 CovalentContact SG-SG 2.02Å; C43-C49 PolarHBondContact SG-SG 2.95Å |
| 44 | P | 83.9 | Confident | 72.2 | Confident | 5 Ų | 5 | 79.5 Ų | 79.5 | 3% | 0.032 | 54% | 0.535 | C | S | . | . | trans | -62.2 | 137.3 | 171.8 | -18 | 30.3 | 0 | 0 | 0 | 111.3 | V46 C47 P66 L69 | P44-V46 PolarHBondContact O-N 3.25Å; P44-C47 HydrophobicContact CB-CB 4.2Å; P44-C47 HydrophobicContact CG-CB 4.39Å; P44-C47 PolarHBondContact O-N 3.06Å; P44-P66 HydrophobicContact CB-CB 3.95Å; P44-P66 HydrophobicContact CB-CG 4.22Å; P44-P66 HydrophobicContact CG-CG 4.41Å; P44-L69 HydrophobicContact CG-CD2 3.96Å | ||
| 45 | E | 81.2 | Confident | 74.5 | Confident | 202 Ų | 202 | 73.7 Ų | 73.7 | 94% | 0.944 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -30.6 | -171.8 | -65.1 | -169.2 | 161.6 | 0 | 0 | 114.5 | C47 | E45-C47 VanDerWaalsContact C-N 3.35Š|
| 46 | V | 87.4 | Confident | 76.9 | Confident | 85 Ų | 85 | 69.5 Ų | 69.5 | 52% | 0.515 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -11.1 | -177.3 | -161.1 | 0 | 0 | 0 | 0 | 112 | P44 L60 L62 | P44-V46 PolarHBondContact O-N 3.25Å; V46-L60 HydrophobicContact CG1-CD1 4.07Å; V46-L60 WeakPolarHBondContact O-CD1 3.38Å; V46-L62 HydrophobicContact CB-CD2 4.37Å; V46-L62 HydrophobicContact CG1-CD2 3.71Å |
| 47 | C | 91.9 | Very high | 79.5 | Confident | 13 Ų | 13 | 66.9 Ų | 66.9 | 9% | 0.088 | 44% | 0.441 | C | S | . | . | S | Bend | trans | -105.7 | 156.1 | -172.6 | -57.1 | 0 | 0 | 0 | 0 | 112 | C43 P44 E45 C57 | C43-C47 PolarHBondContact SG-O 3.4Å; P44-C47 HydrophobicContact CB-CB 4.2Å; P44-C47 HydrophobicContact CG-CB 4.39Å; P44-C47 PolarHBondContact O-N 3.06Å; E45-C47 VanDerWaalsContact C-N 3.35Å; C47-C57 HydrophobicContact CB-CB 4.1Å; C47-C57 WeakPolarHBondContact CB-SG 3.43Å; C47-C57 WeakPolarHBondContact SG-CB 3.19Å; C47-C57 CovalentContact SG-SG 2.02Å; C47-C57 PolarHBondContact SG-SG 3.04Å |
| 48 | T | 92.6 | Very high | 82.2 | Confident | 95 Ų | 95 | 63.5 Ų | 63.5 | 58% | 0.583 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 122.9 | 170.5 | 57.2 | 0 | 0 | 0 | 0 | 109 | S56 | T48-S56 PolarHBondContact N-O 3.2Å; T48-S56 PolarHBondContact O-N 3.44Å; T48-S56 PolarHBondContact OG1-O 3.13Å |
| 49 | C | 91.4 | Very high | 84.6 | Confident | 51 Ų | 51 | 61 Ų | 61 | 35% | 0.345 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 139.9 | 179.5 | -59.3 | 0 | 0 | 0 | 0 | 112.1 | C43 L54 | C43-C49 VanDerWaalsContact CA-SG 3.51Å; C43-C49 HydrophobicContact CB-CB 3.65Å; C43-C49 WeakPolarHBondContact CB-SG 3.37Å; C43-C49 WeakPolarHBondContact SG-CB 3.28Å; C43-C49 CovalentContact SG-SG 2.02Å; C43-C49 PolarHBondContact SG-SG 2.95Å; C49-L54 VanDerWaalsContact CA-O 3.29Å; C49-L54 WeakPolarHBondContact CA-O 3.46Å |
| 50 | V | 88.4 | Confident | 86.9 | Confident | 82 Ų | 82 | 62 Ų | 62 | 50% | 0.497 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 147.3 | -179.6 | -172.2 | 0 | 0 | 0 | 0 | 109.2 | G52 G53 L54 | V50-G52 PolarHBondContact O-N 3.1Å; V50-G53 PolarHBondContact O-N 3.18Å; V50-L54 PolarHBondContact N-O 3.05Å |
| 51 | P | 85.1 | Confident | 88.9 | Confident | 127 Ų | 127 | 61.9 Ų | 61.9 | 83% | 0.825 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.4 | 136.4 | 167.9 | -27.9 | 35.3 | 0 | 0 | 0 | 111.5 | ||
| 52 | G | 84.5 | Confident | 90.4 | Very high | 68 Ų | 68 | 56.4 Ų | 56.4 | 70% | 0.701 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 101.6 | -0.6 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | V50 R74 | V50-G52 PolarHBondContact O-N 3.1Å; G52-R74 WeakPolarHBondContact O-CG 3.47Å |
| 53 | G | 90.7 | Very high | 91.4 | Very high | 16 Ų | 16 | 59.1 Ų | 59.1 | 17% | 0.165 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.2 | 23.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 114 | V50 L73 R74 A75 | V50-G53 PolarHBondContact O-N 3.18Å; G53-L73 CarbonylContact O-C 3.59Å; G53-L73 WeakPolarHBondContact O-CA 3.32Å; G53-R74 PolarHBondContact O-N 3.44Å; G53-A75 PolarHBondContact O-N 3.24Å |
| 54 | L | 94.8 | Very high | 92.1 | Very high | 65 Ų | 65 | 60.2 Ų | 60.2 | 34% | 0.34 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 121.4 | 170 | 175.6 | 66.2 | 0 | 0 | 0 | 109.1 | C49 V50 A75 L77 | C49-L54 VanDerWaalsContact CA-O 3.29Å; C49-L54 WeakPolarHBondContact CA-O 3.46Å; V50-L54 PolarHBondContact N-O 3.05Å; L54-A75 WeakPolarHBondContact CA-O 2.99Å; L54-A75 HydrophobicContact CD1-CB 3.46Å; L54-A75 VanDerWaalsContact CD1-CB 3.46Å; L54-L77 HydrophobicContact CD1-CD1 4.01Å; L54-L77 HydrophobicContact CD1-CG 3.95Å |
| 55 | A | 95.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 118.3 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | L73 A75 L76 L77 | A55-L73 HydrophobicContact CB-CD2 3.68Å; A55-A75 PolarHBondContact N-O 3.26Å; A55-L76 HydrophobicContact CB-CD1 3.95Å; A55-L76 WeakPolarHBondContact O-CA 3.23Å; A55-L77 PolarHBondContact O-N 3.39Å |
| 56 | S | 96.2 | Very high | 93.3 | Very high | 35 Ų | 35 | 52.4 Ų | 52.4 | 25% | 0.245 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 117.4 | 177.4 | -178.1 | 0 | 0 | 0 | 0 | 110.5 | T48 | T48-S56 PolarHBondContact N-O 3.2Å; T48-S56 PolarHBondContact O-N 3.44Å; T48-S56 PolarHBondContact OG1-O 3.13Å |
| 57 | C | 96 | Very high | 93.4 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 37% | 0.365 | C | S | . | . | trans | -125.9 | 21.2 | -178.9 | -41.2 | 0 | 0 | 0 | 0 | 111.1 | C47 L60 L62 L77 L78 N81 | C47-C57 HydrophobicContact CB-CB 4.1Å; C47-C57 WeakPolarHBondContact CB-SG 3.43Å; C47-C57 WeakPolarHBondContact SG-CB 3.19Å; C47-C57 CovalentContact SG-SG 2.02Å; C47-C57 PolarHBondContact SG-SG 3.04Å; C57-L60 HydrophobicContact CB-CD1 4.36Å; C57-L62 HydrophobicContact CB-CD1 3.87Å; C57-L77 CarbonylContact C-O 3.59Å; C57-L77 WeakPolarHBondContact CA-O 3.26Å; C57-L77 VanDerWaalsContact CB-O 3.29Å; C57-L77 WeakPolarHBondContact CB-O 3.43Å; C57-L77 PolarHBondContact N-O 3.47Å; C57-L78 HydrophobicContact CB-CD2 3.66Å; C57-L78 HydrophobicContact CB-CG 4.49Å; C57-N81 PolarHBondContact O-ND2 3.35Å | ||
| 58 | S | 97 | Very high | 93.1 | Very high | 30 Ų | 30 | 54.9 Ų | 54.9 | 21% | 0.21 | 39% | 0.391 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | 143.9 | -170 | -46.4 | 0 | 0 | 0 | 0 | 112.8 | L60 D79 | S58-L60 WeakPolarHBondContact O-CG 3.41Å; S58-L60 PolarHBondContact O-N 3.38Å; S58-D79 VanDerWaalsContact CA-O 3.27Å; S58-D79 WeakPolarHBondContact CA-O 3.49Å; S58-D79 VanDerWaalsContact CB-OD1 3.31Å; S58-D79 WeakPolarHBondContact CB-OD1 3.47Å; S58-D79 PolarHBondContact OG-OD1 3.17Å |
| 59 | A | 96.9 | Very high | 93.1 | Very high | 69 Ų | 69 | 51.2 Ų | 51.2 | 57% | 0.57 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58 | 25.9 | 175 | 0 | 0 | 0 | 0 | 0 | 115.7 | D79 H80 | A59-D79 PolarHBondContact N-O 2.91Å; A59-H80 WeakPolarHBondContact CA-O 3.14Å; A59-H80 HydrophobicContact CB-CB 4.16Å |
| 60 | L | 96.3 | Very high | 93 | Very high | 82 Ų | 82 | 49.6 Ų | 49.6 | 43% | 0.429 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -93.7 | 8 | -179.6 | -61.3 | -179.8 | 0 | 0 | 0 | 113.2 | V46 C57 S58 L62 N81 | V46-L60 HydrophobicContact CG1-CD1 4.07Å; V46-L60 WeakPolarHBondContact O-CD1 3.38Å; C57-L60 HydrophobicContact CB-CD1 4.36Å; S58-L60 WeakPolarHBondContact O-CG 3.41Å; S58-L60 PolarHBondContact O-N 3.38Å; L60-L62 HydrophobicContact CB-CD1 4.45Å; L60-L62 HydrophobicContact CB-CD2 4.14Å; L60-L62 HydrophobicContact CB-CG 3.92Å; L60-L62 PolarHBondContact O-N 2.81Å; L60-N81 PolarHBondContact N-OD1 3.19Å |
| 61 | S | 96.4 | Very high | 93.2 | Very high | 60 Ų | 60 | 51.7 Ų | 51.7 | 42% | 0.42 | 36% | 0.364 | S | S | . | . | trans | 55.2 | 32.2 | -176.1 | -64.1 | 0 | 0 | 0 | 0 | 113.8 | N81 | S61-N81 PolarHBondContact N-OD1 3.48Š| ||
| 62 | L | 96.3 | Very high | 93.4 | Very high | 17 Ų | 17 | 54.1 Ų | 54.1 | 9% | 0.089 | 36% | 0.357 | C | S | . | . | trans | -63.5 | 131 | -177 | -61.9 | 176.4 | 0 | 0 | 0 | 111.2 | V46 C57 L60 L78 N81 R82 V83 | V46-L62 HydrophobicContact CB-CD2 4.37Å; V46-L62 HydrophobicContact CG1-CD2 3.71Å; C57-L62 HydrophobicContact CB-CD1 3.87Å; L60-L62 HydrophobicContact CB-CD1 4.45Å; L60-L62 HydrophobicContact CB-CD2 4.14Å; L60-L62 HydrophobicContact CB-CG 3.92Å; L60-L62 PolarHBondContact O-N 2.81Å; L62-L78 HydrophobicContact CD1-CD2 3.87Å; L62-N81 HydrophobicContact CB-CB 4.19Å; L62-N81 PolarHBondContact N-OD1 3.42Å; L62-R82 CarbonylContact O-C 3.59Å; L62-R82 VanDerWaalsContact O-CA 3.31Å; L62-R82 WeakPolarHBondContact O-CA 3.39Å; L62-R82 PolarHBondContact O-N 3.29Å; L62-V83 PolarHBondContact O-N 3.14Å | ||
| 63 | P | 96 | Very high | 93.9 | Very high | 108 Ų | 108 | 51.1 Ų | 51.1 | 70% | 0.701 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -80.1 | -18.8 | 177.5 | 31.9 | -35 | 0 | 0 | 0 | 113 | ||
| 64 | A | 96.3 | Very high | 94.1 | Very high | 54 Ų | 54 | 55.8 Ų | 55.8 | 45% | 0.446 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -152.7 | 167.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 65 | V | 96.1 | Very high | 94.3 | Very high | 25 Ų | 25 | 53.4 Ų | 53.4 | 15% | 0.152 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 130.7 | 171.7 | -178.1 | 0 | 0 | 0 | 0 | 109.2 | L69 L78 V83 L86 A90 F91 | V65-L69 HydrophobicContact CG1-CD1 4.08Å; V65-L78 HydrophobicContact CG1-CD1 4.16Å; V65-L78 HydrophobicContact CG2-CD1 4.32Å; V65-V83 HydrophobicContact CG2-CG1 4.31Å; V65-L86 HydrophobicContact CG2-CD2 3.81Å; V65-A90 WeakPolarHBondContact CG1-O 3.37Å; V65-A90 HydrophobicContact CG2-CB 4.36Å; V65-F91 HydrophobicContact CB-CE1 4.41Å; V65-F91 HydrophobicContact CG1-CD1 3.87Å; V65-F91 HydrophobicContact CG1-CE1 3.66Å; V65-F91 HydrophobicContact CG1-CZ 4.5Å; V65-F91 HydrophobicContact CG2-CE1 3.79Å; V65-F91 HydrophobicContact CG2-CZ 3.84Å |
| 66 | P | 92.9 | Very high | 94.3 | Very high | 18 Ų | 18 | 53.4 Ų | 53.4 | 12% | 0.117 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -68 | 146.4 | -178.3 | 27.8 | -34.6 | 0 | 0 | 0 | 111.7 | P44 L78 | P44-P66 HydrophobicContact CB-CB 3.95Å; P44-P66 HydrophobicContact CB-CG 4.22Å; P44-P66 HydrophobicContact CG-CG 4.41Å; P66-L78 HydrophobicContact CG-CD2 4.24Å |
| 67 | A | 89.9 | Confident | 94.4 | Very high | 91 Ų | 91 | 53.3 Ų | 53.3 | 75% | 0.752 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -75.7 | 169.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 68 | G | 86.5 | Confident | 94.5 | Very high | 60 Ų | 60 | 53.3 Ų | 53.3 | 62% | 0.619 | 32% | 0.324 | S | S | * | . | trans | 78.1 | 26.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 69 | L | 91.6 | Very high | 94.6 | Very high | 18 Ų | 18 | 52.6 Ų | 52.6 | 9% | 0.094 | 32% | 0.318 | C | S | . | . | trans | -67.5 | 139 | 175.1 | -55.8 | 175.9 | 0 | 0 | 0 | 111.1 | P44 V65 L73 L76 F91 A94 | P44-L69 HydrophobicContact CG-CD2 3.96Å; V65-L69 HydrophobicContact CG1-CD1 4.08Å; L69-L73 HydrophobicContact CB-CD1 4.22Å; L69-L73 HydrophobicContact CD2-CD1 3.9Å; L69-L76 HydrophobicContact CD1-CD2 4.39Å; L69-L76 HydrophobicContact CD2-CD2 4.07Å; L69-F91 HydrophobicContact CD1-CB 4.31Å; L69-F91 HydrophobicContact CD1-CD1 4.11Å; L69-A94 HydrophobicContact CB-CB 4.02Å; L69-A94 HydrophobicContact CD1-CB 4.17Å | ||
| 70 | S | 90.8 | Very high | 94.6 | Very high | 16 Ų | 16 | 53.1 Ų | 53.1 | 11% | 0.112 | 31% | 0.308 | C | S | . | . | trans | -115.3 | 157.9 | -175.2 | 74.3 | 0 | 0 | 0 | 0 | 113 | D42 R72 L73 G93 | D42-S70 PolarHBondContact O-OG 3.17Å; S70-R72 PolarHBondContact O-N 3.42Å; S70-R72 VanDerWaalsContact O-N 3.17Å; S70-L73 WeakPolarHBondContact O-CB 3.33Å; S70-L73 PolarHBondContact O-N 3.27Å; S70-G93 CarbonylContact C-O 3.13Å | ||
| 71 | L | 91 | Very high | 94.7 | Very high | 126 Ų | 126 | 49.7 Ų | 49.7 | 66% | 0.66 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -14 | 175.9 | -70.9 | 171.6 | 0 | 0 | 0 | 113.3 | L73 G93 | L71-L73 VanDerWaalsContact C-N 3.34Å; L71-G93 WeakPolarHBondContact CA-O 3.03Å; L71-G93 WeakPolarHBondContact CD2-O 3.31Å; L71-G93 WeakPolarHBondContact CG-O 2.96Å; L71-G93 PolarHBondContact N-O 2.98Å; L71-G93 VanDerWaalsContact N-O 3.07Å |
| 72 | R | 90.8 | Very high | 94.8 | Very high | 178 Ų | 178 | 54.4 Ų | 54.4 | 67% | 0.672 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -16.1 | 178.8 | -69.5 | 176.4 | 171.7 | -174.4 | -2.8 | 112.5 | D42 S70 R74 | D42-R72 WeakPolarHBondContact OD2-CD 3.47Å; D42-R72 IonicContact OD2-CZ 3.25Å; D42-R72 IonicContact OD2-NE 3.47Å; D42-R72 IonicContact OD2-NH1 2.76Å; D42-R72 PolarHBondContact OD2-NH1 2.78Å; S70-R72 PolarHBondContact O-N 3.42Å; S70-R72 VanDerWaalsContact O-N 3.17Å; R72-R74 PolarHBondContact O-N 2.76Å |
| 73 | L | 93.4 | Very high | 94.9 | Very high | 5 Ų | 5 | 53.6 Ų | 53.6 | 3% | 0.026 | 29% | 0.294 | C | S | . | . | trans | -65.4 | 130.1 | 175.1 | -65.7 | 177 | 0 | 0 | 0 | 110.6 | G53 A55 L69 S70 L71 G96 L97 | G53-L73 CarbonylContact O-C 3.59Å; G53-L73 WeakPolarHBondContact O-CA 3.32Å; A55-L73 HydrophobicContact CB-CD2 3.68Å; L69-L73 HydrophobicContact CB-CD1 4.22Å; L69-L73 HydrophobicContact CD2-CD1 3.9Å; S70-L73 WeakPolarHBondContact O-CB 3.33Å; S70-L73 PolarHBondContact O-N 3.27Å; L71-L73 VanDerWaalsContact C-N 3.34Å; L73-G96 CarbonylContact O-C 3.57Å; L73-L97 HydrophobicContact CB-CD1 4.13Å; L73-L97 WeakPolarHBondContact O-CA 3.23Å; L73-L97 PolarHBondContact O-N 2.94Å | ||
| 74 | R | 96.3 | Very high | 94.9 | Very high | 114 Ų | 114 | 56.6 Ų | 56.6 | 43% | 0.43 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -108.9 | -33.9 | 175.2 | -63.1 | -56.6 | -169.1 | -179.1 | 1.7 | 111.5 | G52 G53 R72 G96 Q98 R99 | G52-R74 WeakPolarHBondContact O-CG 3.47Å; G53-R74 PolarHBondContact O-N 3.44Å; R72-R74 PolarHBondContact O-N 2.76Å; R74-G96 WeakPolarHBondContact CD-O 3.26Å; R74-G96 PolarHBondContact NH1-O 3.06Å; R74-G96 VanDerWaalsContact NH1-O 3.1Å; R74-Q98 WeakPolarHBondContact O-CA 3.49Å; R74-Q98 WeakPolarHBondContact O-CB 3.14Å; R74-Q98 PolarHBondContact O-N 3.23Å; R74-R99 PolarHBondContact O-N 3.34Å |
| 75 | A | 97.3 | Very high | 95 | Very high | 15 Ų | 15 | 56 Ų | 56 | 12% | 0.124 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 133.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | G53 L54 A55 R99 | G53-A75 PolarHBondContact O-N 3.24Å; L54-A75 WeakPolarHBondContact CA-O 2.99Å; L54-A75 HydrophobicContact CD1-CB 3.46Å; L54-A75 VanDerWaalsContact CD1-CB 3.46Å; A55-A75 PolarHBondContact N-O 3.26Å; A75-R99 VanDerWaalsContact CA-O 3.32Å; A75-R99 WeakPolarHBondContact CA-O 3.5Å; A75-R99 HydrophobicContact CB-CB 3.96Å |
| 76 | L | 97.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 114.4 | 178.1 | 178.4 | 60.3 | 0 | 0 | 0 | 108.3 | A55 L69 L78 F91 L97 R99 L100 D101 | A55-L76 HydrophobicContact CB-CD1 3.95Å; A55-L76 WeakPolarHBondContact O-CA 3.23Å; L69-L76 HydrophobicContact CD1-CD2 4.39Å; L69-L76 HydrophobicContact CD2-CD2 4.07Å; L76-L78 HydrophobicContact CD1-CD1 4.37Å; L76-L78 HydrophobicContact CD1-CG 4.18Å; L76-L78 HydrophobicContact CD2-CD1 3.68Å; L76-L78 HydrophobicContact CD2-CG 4.35Å; L76-L78 HydrophobicContact CG-CD1 3.84Å; L76-L78 HydrophobicContact CG-CG 3.97Å; L76-F91 HydrophobicContact CD2-CD1 4Å; L76-F91 HydrophobicContact CD2-CE1 4.09Å; L76-L97 HydrophobicContact CB-CD1 3.74Å; L76-L97 HydrophobicContact CB-CD2 4.16Å; L76-R99 PolarHBondContact N-O 3.11Å; L76-L100 HydrophobicContact CB-CD1 4.16Å; L76-L100 HydrophobicContact CD2-CD1 4.07Å; L76-L100 HydrophobicContact CG-CD1 4.18Å; L76-D101 PolarHBondContact O-N 3.21Å |
| 77 | L | 98 | Very high | 95.2 | Very high | 33 Ų | 33 | 57.6 Ų | 57.6 | 17% | 0.173 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 112 | 177.1 | -49.9 | -179.4 | 0 | 0 | 0 | 108.7 | L54 A55 C57 D101 | L54-L77 HydrophobicContact CD1-CD1 4.01Å; L54-L77 HydrophobicContact CD1-CG 3.95Å; A55-L77 PolarHBondContact O-N 3.39Å; C57-L77 CarbonylContact C-O 3.59Å; C57-L77 WeakPolarHBondContact CA-O 3.26Å; C57-L77 VanDerWaalsContact CB-O 3.29Å; C57-L77 WeakPolarHBondContact CB-O 3.43Å; C57-L77 PolarHBondContact N-O 3.47Å; L77-D101 HydrophobicContact CD2-CB 3.8Å |
| 78 | L | 97.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.286 | C | S | . | . | trans | -120.7 | 18.9 | 178.4 | -76.3 | 165.7 | 0 | 0 | 0 | 111 | C57 L62 V65 P66 L76 N81 F91 L100 D101 L102 N105 | C57-L78 HydrophobicContact CB-CD2 3.66Å; C57-L78 HydrophobicContact CB-CG 4.49Å; L62-L78 HydrophobicContact CD1-CD2 3.87Å; V65-L78 HydrophobicContact CG1-CD1 4.16Å; V65-L78 HydrophobicContact CG2-CD1 4.32Å; P66-L78 HydrophobicContact CG-CD2 4.24Å; L76-L78 HydrophobicContact CD1-CD1 4.37Å; L76-L78 HydrophobicContact CD1-CG 4.18Å; L76-L78 HydrophobicContact CD2-CD1 3.68Å; L76-L78 HydrophobicContact CD2-CG 4.35Å; L76-L78 HydrophobicContact CG-CD1 3.84Å; L76-L78 HydrophobicContact CG-CG 3.97Å; L78-N81 VanDerWaalsContact C-ND2 3.32Å; L78-N81 PolarHBondContact O-ND2 3.35Å; L78-F91 HydrophobicContact CD1-CE1 3.99Å; L78-L100 HydrophobicContact CD1-CD1 4.44Å; L78-D101 CarbonylContact C-O 3.17Å; L78-D101 WeakPolarHBondContact CA-O 3.29Å; L78-D101 WeakPolarHBondContact CB-O 3.27Å; L78-D101 PolarHBondContact N-O 3.24Å; L78-L102 HydrophobicContact CB-CD2 3.79Å; L78-L102 HydrophobicContact CD1-CD2 3.94Å; L78-N105 PolarHBondContact O-ND2 2.95Å | ||
| 79 | D | 98.4 | Very high | 95.9 | Very high | 16 Ų | 16 | 55.4 Ų | 55.4 | 9% | 0.086 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | 155.6 | -177.8 | 59.2 | -71 | 0 | 0 | 0 | 113.7 | S58 A59 N81 D101 R103 | S58-D79 VanDerWaalsContact CA-O 3.27Å; S58-D79 WeakPolarHBondContact CA-O 3.49Å; S58-D79 VanDerWaalsContact CB-OD1 3.31Å; S58-D79 WeakPolarHBondContact CB-OD1 3.47Å; S58-D79 PolarHBondContact OG-OD1 3.17Å; A59-D79 PolarHBondContact N-O 2.91Å; D79-N81 VanDerWaalsContact C-N 3.26Å; D79-N81 PolarHBondContact O-N 3.37Å; D79-N81 PolarHBondContact O-ND2 3.36Å; D79-D101 PolarHBondContact N-O 3.39Å; D79-R103 VanDerWaalsContact CA-O 3.29Å; D79-R103 WeakPolarHBondContact CA-O 3.46Å; D79-R103 HydrophobicContact CB-CG 3.51Å |
| 80 | H | 98.3 | Very high | 96.1 | Very high | 80 Ų | 80 | 55.3 Ų | 55.3 | 37% | 0.37 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 34.7 | 178.9 | -53.6 | 86.2 | 0 | 0 | 0 | 113.8 | A59 R103 E104 | A59-H80 WeakPolarHBondContact CA-O 3.14Å; A59-H80 HydrophobicContact CB-CB 4.16Å; H80-R103 PolarHBondContact N-O 3Å; H80-E104 WeakPolarHBondContact CA-O 3.39Å; H80-E104 IonicContact CD2-OE2 2.96Å; H80-E104 PolarHBondContact CD2-OE2 2.97Å; H80-E104 IonicContact NE2-OE1 2.65Å; H80-E104 PolarHBondContact NE2-OE1 2.84Å; H80-E104 IonicContact NE2-OE2 3.19Å; H80-E104 PolarHBondContact NE2-OE2 2.89Å |
| 81 | N | 98.4 | Very high | 96.4 | Very high | 9 Ų | 9 | 54.7 Ų | 54.7 | 5% | 0.048 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -107.4 | -163.8 | 177.4 | -79.5 | -60.7 | 0 | 0 | 0 | 111.4 | C57 L60 S61 L62 L78 D79 V83 E104 N105 | C57-N81 PolarHBondContact O-ND2 3.35Å; L60-N81 PolarHBondContact N-OD1 3.19Å; S61-N81 PolarHBondContact N-OD1 3.48Å; L62-N81 HydrophobicContact CB-CB 4.19Å; L62-N81 PolarHBondContact N-OD1 3.42Å; L78-N81 VanDerWaalsContact C-ND2 3.32Å; L78-N81 PolarHBondContact O-ND2 3.35Å; D79-N81 VanDerWaalsContact C-N 3.26Å; D79-N81 PolarHBondContact O-N 3.37Å; D79-N81 PolarHBondContact O-ND2 3.36Å; N81-V83 HydrophobicContact CB-CG2 4.38Å; N81-E104 PolarHBondContact N-O 3.1Å; N81-N105 WeakPolarHBondContact CB-OD1 3.06Å; N81-N105 WeakPolarHBondContact O-CA 3.42Å |
| 82 | R | 97.7 | Very high | 96.5 | Very high | 159 Ų | 159 | 52 Ų | 52 | 60% | 0.6 | 26% | 0.263 | S | S | * | . | trans | -125.4 | 33.1 | -178.5 | -61.4 | 179 | -179 | 161.7 | 1.9 | 111.3 | L62 R84 N105 | L62-R82 CarbonylContact O-C 3.59Å; L62-R82 VanDerWaalsContact O-CA 3.31Å; L62-R82 WeakPolarHBondContact O-CA 3.39Å; L62-R82 PolarHBondContact O-N 3.29Å; R82-R84 PolarHBondContact O-N 2.93Å; R82-N105 CarbonylContact C-O 3.38Å | ||
| 83 | V | 97.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | trans | -73.5 | 96.8 | 177.6 | -175.6 | 0 | 0 | 0 | 0 | 108.3 | L62 V65 N81 L86 N105 L107 | L62-V83 PolarHBondContact O-N 3.14Å; V65-V83 HydrophobicContact CG2-CG1 4.31Å; N81-V83 HydrophobicContact CB-CG2 4.38Å; V83-L86 HydrophobicContact CG1-CD2 3.95Å; V83-N105 HydrophobicContact CB-CB 4.36Å; V83-N105 VanDerWaalsContact CB-OD1 3.3Å; V83-N105 WeakPolarHBondContact CB-OD1 3.16Å; V83-N105 WeakPolarHBondContact CG2-OD1 3.43Å; V83-N105 PolarHBondContact N-OD1 3.19Å; V83-L107 HydrophobicContact CG1-CD2 4.19Å; V83-L107 WeakPolarHBondContact O-CD2 3.41Å; V83-L107 WeakPolarHBondContact O-CG 3.38Å | ||
| 84 | R | 96.9 | Very high | 96.5 | Very high | 171 Ų | 171 | 45.2 Ų | 45.2 | 65% | 0.645 | 25% | 0.25 | S | C | * | . | trans | -79.1 | -25.6 | -174.1 | -69.3 | -175.5 | -179.8 | 177.2 | -0.3 | 114.2 | R82 L107 H108 | R82-R84 PolarHBondContact O-N 2.93Å; R84-L107 WeakPolarHBondContact O-CA 3.42Å; R84-H108 PolarHBondContact O-CD2 3.37Å; R84-H108 PolarHBondContact O-N 3.06Å; R84-H108 PolarHBondContact O-NE2 2.64Å | ||
| 85 | A | 97.6 | Very high | 96.5 | Very high | 42 Ų | 42 | 41.1 Ų | 41.1 | 35% | 0.347 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 146.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | S109 | A85-S109 WeakPolarHBondContact CA-O 3.29Å; A85-S109 VanDerWaalsContact CB-OG 3.31Å; A85-S109 WeakPolarHBondContact CB-OG 3.36Å |
| 86 | L | 98.1 | Very high | 96.4 | Very high | 3 Ų | 3 | 40.9 Ų | 40.9 | 2% | 0.016 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 111.3 | 171.3 | -62.6 | 178.1 | 0 | 0 | 0 | 110.5 | V65 V83 A90 F91 L102 L107 S109 V110 H111 A114 F115 | V65-L86 HydrophobicContact CG2-CD2 3.81Å; V83-L86 HydrophobicContact CG1-CD2 3.95Å; L86-A90 HydrophobicContact CB-CB 4.36Å; L86-A90 HydrophobicContact CD2-CB 4.36Å; L86-F91 HydrophobicContact CD1-CE2 4.16Å; L86-F91 HydrophobicContact CD1-CZ 4.47Å; L86-F91 HydrophobicContact CD2-CE2 4.18Å; L86-F91 HydrophobicContact CD2-CZ 3.94Å; L86-L102 HydrophobicContact CD1-CD1 3.99Å; L86-L107 HydrophobicContact CD1-CD1 4.41Å; L86-L107 HydrophobicContact CD2-CD2 4.21Å; L86-L107 HydrophobicContact CG-CD1 4.49Å; L86-L107 HydrophobicContact CG-CD2 3.79Å; L86-S109 PolarHBondContact N-O 3.28Å; L86-S109 VanDerWaalsContact N-O 3.1Å; L86-V110 HydrophobicContact CB-CG1 4.36Å; L86-V110 HydrophobicContact CD1-CG1 4.11Å; L86-V110 HydrophobicContact CD1-CG2 4.05Å; L86-H111 WeakPolarHBondContact O-CB 3.45Å; L86-H111 PolarHBondContact O-N 3.17Å; L86-A114 HydrophobicContact CB-CB 3.7Å; L86-A114 HydrophobicContact CD1-CB 4.41Å; L86-F115 HydrophobicContact CD1-CE1 3.84Å; L86-F115 HydrophobicContact CD1-CZ 3.76Å |
| 87 | P | 96.8 | Very high | 96.4 | Very high | 73 Ų | 73 | 40.9 Ų | 40.9 | 47% | 0.474 | 24% | 0.242 | S | C | . | . | trans | -70.2 | 167.4 | 176.9 | 29.6 | -35.5 | 0 | 0 | 0 | 112.2 | G89 A90 A114 | P87-G89 PolarHBondContact O-N 2.02Å; P87-A90 HydrophobicContact CG-CB 4.09Å; P87-A90 WeakPolarHBondContact O-CB 3.23Å; P87-A90 PolarHBondContact O-N 2.93Å; P87-A114 WeakPolarHBondContact O-CA 3.4Å | ||
| 88 | P | 96.8 | Very high | 96.4 | Very high | 79 Ų | 79 | 42.8 Ų | 42.8 | 51% | 0.513 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | 131.8 | 170.4 | 22.9 | -33.4 | 0 | 0 | 0 | 111.2 | A90 R113 | P88-A90 VanDerWaalsContact C-N 3.26Å; P88-A90 PolarHBondContact O-N 2.97Å; P88-R113 HydrophobicContact CB-CB 4.13Å |
| 89 | G | 93.9 | Very high | 96.5 | Very high | 27 Ų | 27 | 48.1 Ų | 48.1 | 28% | 0.278 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.5 | 29.1 | -180 | 0 | 0 | 0 | 0 | 0 | 113.9 | P87 F91 A92 R113 | P87-G89 PolarHBondContact O-N 2.02Å; G89-F91 PolarHBondContact O-N 2.8Å; G89-A92 VanDerWaalsContact O-CB 3.28Å; G89-A92 WeakPolarHBondContact O-CB 3.48Å; G89-A92 PolarHBondContact O-N 3.45Å; G89-R113 PolarHBondContact N-O 3Å |
| 90 | A | 96.3 | Very high | 96.5 | Very high | 16 Ų | 16 | 47.3 Ų | 47.3 | 13% | 0.132 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.9 | -28.8 | 180 | 0 | 0 | 0 | 0 | 0 | 113.8 | V65 L86 P87 P88 A114 | V65-A90 WeakPolarHBondContact CG1-O 3.37Å; V65-A90 HydrophobicContact CG2-CB 4.36Å; L86-A90 HydrophobicContact CB-CB 4.36Å; L86-A90 HydrophobicContact CD2-CB 4.36Å; P87-A90 HydrophobicContact CG-CB 4.09Å; P87-A90 WeakPolarHBondContact O-CB 3.23Å; P87-A90 PolarHBondContact O-N 2.93Å; P88-A90 VanDerWaalsContact C-N 3.26Å; P88-A90 PolarHBondContact O-N 2.97Å; A90-A114 PolarHBondContact N-O 3.17Å |
| 91 | F | 96.3 | Very high | 96.5 | Very high | 2 Ų | 2 | 43.6 Ų | 43.6 | 1% | 0.009 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.8 | 27.2 | 180 | -52.6 | -78 | 0 | 0 | 0 | 113.3 | V65 L69 L76 L78 L86 G89 G93 A94 L100 L102 F115 L118 | V65-F91 HydrophobicContact CB-CE1 4.41Å; V65-F91 HydrophobicContact CG1-CD1 3.87Å; V65-F91 HydrophobicContact CG1-CE1 3.66Å; V65-F91 HydrophobicContact CG1-CZ 4.5Å; V65-F91 HydrophobicContact CG2-CE1 3.79Å; V65-F91 HydrophobicContact CG2-CZ 3.84Å; L69-F91 HydrophobicContact CD1-CB 4.31Å; L69-F91 HydrophobicContact CD1-CD1 4.11Å; L76-F91 HydrophobicContact CD2-CD1 4Å; L76-F91 HydrophobicContact CD2-CE1 4.09Å; L78-F91 HydrophobicContact CD1-CE1 3.99Å; L86-F91 HydrophobicContact CD1-CE2 4.16Å; L86-F91 HydrophobicContact CD1-CZ 4.47Å; L86-F91 HydrophobicContact CD2-CE2 4.18Å; L86-F91 HydrophobicContact CD2-CZ 3.94Å; G89-F91 PolarHBondContact O-N 2.8Å; F91-G93 PolarHBondContact O-N 3.06Å; F91-A94 HydrophobicContact CB-CB 4.42Å; F91-A94 WeakPolarHBondContact O-CB 3.36Å; F91-A94 PolarHBondContact O-N 2.95Å; F91-L100 HydrophobicContact CD1-CD1 4.4Å; F91-L100 HydrophobicContact CD1-CD2 4.3Å; F91-L100 HydrophobicContact CD2-CD2 4.15Å; F91-L100 HydrophobicContact CE1-CD1 3.81Å; F91-L100 HydrophobicContact CE1-CD2 3.94Å; F91-L100 HydrophobicContact CE2-CD2 3.78Å; F91-L100 HydrophobicContact CG-CD2 4.41Å; F91-L100 HydrophobicContact CZ-CD1 4.17Å; F91-L100 HydrophobicContact CZ-CD2 3.69Å; F91-L102 HydrophobicContact CE2-CD1 4.46Å; F91-L102 HydrophobicContact CZ-CD1 3.88Å; F91-L102 HydrophobicContact CZ-CD2 4.36Å; F91-F115 HydrophobicContact CD2-CD1 4.13Å; F91-F115 HydrophobicContact CD2-CE1 4.49Å; F91-F115 AromaticContact CE2-CD1 3.99Å; F91-F115 HydrophobicContact CE2-CD1 3.99Å; F91-F115 AromaticContact CE2-CE1 3.89Å; F91-F115 HydrophobicContact CE2-CE1 3.89Å; F91-L118 HydrophobicContact CB-CD1 3.93Å; F91-L118 HydrophobicContact CB-CD2 3.88Å; F91-L118 HydrophobicContact CB-CG 4.18Å; F91-L118 HydrophobicContact CD2-CD1 3.87Å; F91-L118 HydrophobicContact CG-CD1 4.04Å |
| 92 | A | 92.7 | Very high | 96.5 | Very high | 70 Ų | 70 | 43.1 Ų | 43.1 | 58% | 0.579 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | 135.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | G89 A94 | G89-A92 VanDerWaalsContact O-CB 3.28Å; G89-A92 WeakPolarHBondContact O-CB 3.48Å; G89-A92 PolarHBondContact O-N 3.45Å; A92-A94 VanDerWaalsContact C-N 3.33Å |
| 93 | G | 90.8 | Very high | 96.5 | Very high | 41 Ų | 41 | 39.5 Ų | 39.5 | 42% | 0.423 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90.9 | -21.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | S70 L71 F91 G95 | S70-G93 CarbonylContact C-O 3.13Å; L71-G93 WeakPolarHBondContact CA-O 3.03Å; L71-G93 WeakPolarHBondContact CD2-O 3.31Å; L71-G93 WeakPolarHBondContact CG-O 2.96Å; L71-G93 PolarHBondContact N-O 2.98Å; L71-G93 VanDerWaalsContact N-O 3.07Å; F91-G93 PolarHBondContact O-N 3.06Å; G93-G95 VanDerWaalsContact C-N 3.3Å; G93-G95 PolarHBondContact O-N 2.81Å |
| 94 | A | 94.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | trans | -88.9 | 35.7 | -180 | 0 | 0 | 0 | 0 | 0 | 114.1 | L69 F91 A92 G96 L97 L118 | L69-A94 HydrophobicContact CB-CB 4.02Å; L69-A94 HydrophobicContact CD1-CB 4.17Å; F91-A94 HydrophobicContact CB-CB 4.42Å; F91-A94 WeakPolarHBondContact O-CB 3.36Å; F91-A94 PolarHBondContact O-N 2.95Å; A92-A94 VanDerWaalsContact C-N 3.33Å; A94-G96 PolarHBondContact O-N 2.86Å; A94-G96 VanDerWaalsContact O-N 3.08Å; A94-L97 HydrophobicContact CB-CB 4.32Å; A94-L97 WeakPolarHBondContact O-CB 3.32Å; A94-L97 PolarHBondContact O-N 3Å; A94-L118 HydrophobicContact CB-CD2 4.28Å; A94-L118 WeakPolarHBondContact O-CD2 3.35Å | ||
| 95 | G | 94.9 | Very high | 96.6 | Very high | 27 Ų | 27 | 36.1 Ų | 36.1 | 28% | 0.278 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -18.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | G93 L97 G117 | G93-G95 VanDerWaalsContact C-N 3.3Å; G93-G95 PolarHBondContact O-N 2.81Å; G95-L97 VanDerWaalsContact C-N 3.34Å; G95-G117 WeakPolarHBondContact CA-O 3.28Å |
| 96 | G | 95.4 | Very high | 96.7 | Very high | 11 Ų | 11 | 35.1 Ų | 35.1 | 11% | 0.113 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -1.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | L73 R74 A94 | L73-G96 CarbonylContact O-C 3.57Å; R74-G96 WeakPolarHBondContact CD-O 3.26Å; R74-G96 PolarHBondContact NH1-O 3.06Å; R74-G96 VanDerWaalsContact NH1-O 3.1Å; A94-G96 PolarHBondContact O-N 2.86Å; A94-G96 VanDerWaalsContact O-N 3.08Å |
| 97 | L | 97.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 22% | 0.217 | C | C | . | . | trans | -67.7 | 132 | -173.1 | -162.7 | 73.2 | 0 | 0 | 0 | 111.4 | L73 L76 A94 G95 L100 L118 A120 L121 | L73-L97 HydrophobicContact CB-CD1 4.13Å; L73-L97 WeakPolarHBondContact O-CA 3.23Å; L73-L97 PolarHBondContact O-N 2.94Å; L76-L97 HydrophobicContact CB-CD1 3.74Å; L76-L97 HydrophobicContact CB-CD2 4.16Å; A94-L97 HydrophobicContact CB-CB 4.32Å; A94-L97 WeakPolarHBondContact O-CB 3.32Å; A94-L97 PolarHBondContact O-N 3Å; G95-L97 VanDerWaalsContact C-N 3.34Å; L97-L100 HydrophobicContact CD2-CB 3.95Å; L97-L100 HydrophobicContact CD2-CD1 4.28Å; L97-L100 HydrophobicContact CD2-CD2 4.46Å; L97-L100 HydrophobicContact CD2-CG 4.47Å; L97-L118 HydrophobicContact CB-CD2 4.23Å; L97-L118 HydrophobicContact CD2-CD2 4.36Å; L97-A120 CarbonylContact O-C 3.16Å; L97-A120 VanDerWaalsContact O-C 3.25Å; L97-L121 HydrophobicContact CB-CD1 4.27Å; L97-L121 HydrophobicContact CD2-CD1 3.95Å; L97-L121 HydrophobicContact CG-CD1 3.95Å; L97-L121 VanDerWaalsContact O-CA 3.26Å; L97-L121 WeakPolarHBondContact O-CA 3.49Å; L97-L121 PolarHBondContact O-N 3.31Å; L97-L121 VanDerWaalsContact O-N 3.17Å | ||
| 98 | Q | 98.4 | Very high | 96.7 | Very high | 72 Ų | 72 | 36.4 Ų | 36.4 | 34% | 0.336 | 22% | 0.217 | S | C | . | . | trans | -112.8 | -29.3 | -179.1 | -63.6 | 177.8 | -3.1 | 0 | 0 | 112 | R74 Q122 L123 | R74-Q98 WeakPolarHBondContact O-CA 3.49Å; R74-Q98 WeakPolarHBondContact O-CB 3.14Å; R74-Q98 PolarHBondContact O-N 3.23Å; Q98-Q122 WeakPolarHBondContact O-CA 3.45Å; Q98-Q122 PolarHBondContact O-N 3.1Å; Q98-L123 PolarHBondContact O-N 3.29Å | ||
| 99 | R | 98.6 | Very high | 96.7 | Very high | 112 Ų | 112 | 34.9 Ų | 34.9 | 42% | 0.423 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 127.5 | 179 | -178.5 | 172.6 | -177.3 | 160 | 1.5 | 110.6 | R74 A75 L76 L123 | R74-R99 PolarHBondContact O-N 3.34Å; A75-R99 VanDerWaalsContact CA-O 3.32Å; A75-R99 WeakPolarHBondContact CA-O 3.5Å; A75-R99 HydrophobicContact CB-CB 3.96Å; L76-R99 PolarHBondContact N-O 3.11Å; R99-L123 WeakPolarHBondContact CA-O 3.45Å; R99-L123 HydrophobicContact CG-CB 4.32Å; R99-L123 HydrophobicContact CG-CD2 4.12Å |
| 100 | L | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 122.6 | 174.3 | 177.7 | 56 | 0 | 0 | 0 | 109.1 | L76 L78 F91 L97 L102 F115 L118 L121 L123 L124 D125 | L76-L100 HydrophobicContact CB-CD1 4.16Å; L76-L100 HydrophobicContact CD2-CD1 4.07Å; L76-L100 HydrophobicContact CG-CD1 4.18Å; L78-L100 HydrophobicContact CD1-CD1 4.44Å; F91-L100 HydrophobicContact CD1-CD1 4.4Å; F91-L100 HydrophobicContact CD1-CD2 4.3Å; F91-L100 HydrophobicContact CD2-CD2 4.15Å; F91-L100 HydrophobicContact CE1-CD1 3.81Å; F91-L100 HydrophobicContact CE1-CD2 3.94Å; F91-L100 HydrophobicContact CE2-CD2 3.78Å; F91-L100 HydrophobicContact CG-CD2 4.41Å; F91-L100 HydrophobicContact CZ-CD1 4.17Å; F91-L100 HydrophobicContact CZ-CD2 3.69Å; L97-L100 HydrophobicContact CD2-CB 3.95Å; L97-L100 HydrophobicContact CD2-CD1 4.28Å; L97-L100 HydrophobicContact CD2-CD2 4.46Å; L97-L100 HydrophobicContact CD2-CG 4.47Å; L100-L102 HydrophobicContact CD1-CD1 4.21Å; L100-L102 HydrophobicContact CD1-CG 4.06Å; L100-L102 HydrophobicContact CD2-CD1 3.88Å; L100-L102 HydrophobicContact CG-CD1 3.91Å; L100-L102 HydrophobicContact CG-CG 4.13Å; L100-F115 HydrophobicContact CD2-CD1 4.42Å; L100-F115 HydrophobicContact CD2-CE1 4.19Å; L100-L118 HydrophobicContact CD2-CD1 4.17Å; L100-L121 HydrophobicContact CB-CD1 3.83Å; L100-L121 HydrophobicContact CB-CD2 4.3Å; L100-L123 PolarHBondContact N-O 3.2Å; L100-L124 HydrophobicContact CB-CD1 4.08Å; L100-L124 HydrophobicContact CD2-CD1 3.87Å; L100-L124 HydrophobicContact CG-CD1 3.95Å; L100-D125 PolarHBondContact O-N 2.96Å |
| 101 | D | 98.7 | Very high | 96.9 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 115.7 | 178.8 | -166.4 | -17.7 | 0 | 0 | 0 | 109.7 | L76 L77 L78 D79 R103 | L76-D101 PolarHBondContact O-N 3.21Å; L77-D101 HydrophobicContact CD2-CB 3.8Å; L78-D101 CarbonylContact C-O 3.17Å; L78-D101 WeakPolarHBondContact CA-O 3.29Å; L78-D101 WeakPolarHBondContact CB-O 3.27Å; L78-D101 PolarHBondContact N-O 3.24Å; D79-D101 PolarHBondContact N-O 3.39Å; D101-R103 VanDerWaalsContact OD1-CG 3.31Å; D101-R103 WeakPolarHBondContact OD1-CG 3.28Å; D101-R103 PolarHBondContact OD1-N 3.09Å; D101-R103 IonicContact OD1-NE 3.06Å; D101-R103 PolarHBondContact OD1-NE 2.82Å; D101-R103 IonicContact OD2-CZ 3.56Å; D101-R103 IonicContact OD2-NE 3.03Å; D101-R103 PolarHBondContact OD2-NE 3.34Å; D101-R103 IonicContact OD2-NH2 3.72Å; D101-R103 PolarHBondContact OD2-NH2 3.04Å |
| 102 | L | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | trans | -126.8 | 22.2 | -179.3 | -73.5 | 161.4 | 0 | 0 | 0 | 110.8 | L78 L86 F91 L100 N105 L107 D125 L126 N129 | L78-L102 HydrophobicContact CB-CD2 3.79Å; L78-L102 HydrophobicContact CD1-CD2 3.94Å; L86-L102 HydrophobicContact CD1-CD1 3.99Å; F91-L102 HydrophobicContact CE2-CD1 4.46Å; F91-L102 HydrophobicContact CZ-CD1 3.88Å; F91-L102 HydrophobicContact CZ-CD2 4.36Å; L100-L102 HydrophobicContact CD1-CD1 4.21Å; L100-L102 HydrophobicContact CD1-CG 4.06Å; L100-L102 HydrophobicContact CD2-CD1 3.88Å; L100-L102 HydrophobicContact CG-CD1 3.91Å; L100-L102 HydrophobicContact CG-CG 4.13Å; L102-N105 PolarHBondContact O-ND2 3.44Å; L102-N105 VanDerWaalsContact O-ND2 3.11Å; L102-L107 HydrophobicContact CB-CD1 4.19Å; L102-D125 WeakPolarHBondContact CA-O 3.43Å; L102-D125 WeakPolarHBondContact CB-O 3.03Å; L102-D125 PolarHBondContact N-O 2.98Å; L102-L126 HydrophobicContact CB-CD2 3.95Å; L102-L126 HydrophobicContact CD1-CD2 3.73Å; L102-N129 PolarHBondContact O-ND2 2.96Å | ||
| 103 | R | 98.6 | Very high | 97.1 | Very high | 82 Ų | 82 | 42.8 Ų | 42.8 | 31% | 0.309 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | 152.6 | -180 | 75.2 | -174.7 | 111.1 | 164.7 | 9.7 | 111.5 | D79 H80 D101 N105 S127 | D79-R103 VanDerWaalsContact CA-O 3.29Å; D79-R103 WeakPolarHBondContact CA-O 3.46Å; D79-R103 HydrophobicContact CB-CG 3.51Å; H80-R103 PolarHBondContact N-O 3Å; D101-R103 VanDerWaalsContact OD1-CG 3.31Å; D101-R103 WeakPolarHBondContact OD1-CG 3.28Å; D101-R103 PolarHBondContact OD1-N 3.09Å; D101-R103 IonicContact OD1-NE 3.06Å; D101-R103 PolarHBondContact OD1-NE 2.82Å; D101-R103 IonicContact OD2-CZ 3.56Å; D101-R103 IonicContact OD2-NE 3.03Å; D101-R103 PolarHBondContact OD2-NE 3.34Å; D101-R103 IonicContact OD2-NH2 3.72Å; D101-R103 PolarHBondContact OD2-NH2 3.04Å; R103-N105 VanDerWaalsContact C-N 3.33Å; R103-N105 PolarHBondContact O-N 2.87Å; R103-N105 PolarHBondContact O-ND2 3.46Å; R103-S127 WeakPolarHBondContact CA-O 3.15Å; R103-S127 WeakPolarHBondContact CB-OG 3.42Å |
| 104 | E | 98.4 | Very high | 97.4 | Very high | 97 Ų | 97 | 40.8 Ų | 40.8 | 45% | 0.453 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | 44.5 | 173.2 | -60.8 | -171 | -146.9 | 0 | 0 | 113.8 | H80 N81 S127 A128 | H80-E104 WeakPolarHBondContact CA-O 3.39Å; H80-E104 IonicContact CD2-OE2 2.96Å; H80-E104 PolarHBondContact CD2-OE2 2.97Å; H80-E104 IonicContact NE2-OE1 2.65Å; H80-E104 PolarHBondContact NE2-OE1 2.84Å; H80-E104 IonicContact NE2-OE2 3.19Å; H80-E104 PolarHBondContact NE2-OE2 2.89Å; N81-E104 PolarHBondContact N-O 3.1Å; E104-S127 PolarHBondContact N-O 2.94Å; E104-S127 VanDerWaalsContact N-O 3.15Å; E104-A128 VanDerWaalsContact CA-O 3.29Å; E104-A128 WeakPolarHBondContact CA-O 3.42Å; E104-A128 HydrophobicContact CG-CB 3.56Å; E104-A128 PolarHBondContact N-O 3.35Å |
| 105 | N | 98.3 | Very high | 97.5 | Very high | 4 Ų | 4 | 40.8 Ų | 40.8 | 2% | 0.021 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -104.5 | -12.7 | 178.8 | -94.1 | -88.3 | 0 | 0 | 0 | 114.3 | L78 N81 R82 V83 L102 R103 L107 N129 | L78-N105 PolarHBondContact O-ND2 2.95Å; N81-N105 WeakPolarHBondContact CB-OD1 3.06Å; N81-N105 WeakPolarHBondContact O-CA 3.42Å; R82-N105 CarbonylContact C-O 3.38Å; V83-N105 HydrophobicContact CB-CB 4.36Å; V83-N105 VanDerWaalsContact CB-OD1 3.3Å; V83-N105 WeakPolarHBondContact CB-OD1 3.16Å; V83-N105 WeakPolarHBondContact CG2-OD1 3.43Å; V83-N105 PolarHBondContact N-OD1 3.19Å; L102-N105 PolarHBondContact O-ND2 3.44Å; L102-N105 VanDerWaalsContact O-ND2 3.11Å; R103-N105 VanDerWaalsContact C-N 3.33Å; R103-N105 PolarHBondContact O-N 2.87Å; R103-N105 PolarHBondContact O-ND2 3.46Å; N105-L107 VanDerWaalsContact C-N 3.29Å; N105-L107 HydrophobicContact CB-CD1 4.4Å; N105-L107 HydrophobicContact CB-CG 4.07Å; N105-N129 WeakPolarHBondContact CA-OD1 3.32Å; N105-N129 WeakPolarHBondContact CB-OD1 3.09Å; N105-N129 PolarHBondContact N-OD1 3.03Å |
| 106 | G | 97.8 | Very high | 97.5 | Very high | 20 Ų | 20 | 46.1 Ų | 46.1 | 21% | 0.206 | 21% | 0.213 | C | C | . | . | trans | 67.3 | 30.7 | -169.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | H108 N129 | G106-H108 PolarHBondContact O-N 2.74Å; G106-N129 PolarHBondContact N-OD1 3.33Å | ||
| 107 | L | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | trans | -61.5 | 120.9 | 176.1 | -79.8 | 166.1 | 0 | 0 | 0 | 110.3 | V83 R84 L86 L102 N105 L126 N129 Q130 L131 | V83-L107 HydrophobicContact CG1-CD2 4.19Å; V83-L107 WeakPolarHBondContact O-CD2 3.41Å; V83-L107 WeakPolarHBondContact O-CG 3.38Å; R84-L107 WeakPolarHBondContact O-CA 3.42Å; L86-L107 HydrophobicContact CD1-CD1 4.41Å; L86-L107 HydrophobicContact CD2-CD2 4.21Å; L86-L107 HydrophobicContact CG-CD1 4.49Å; L86-L107 HydrophobicContact CG-CD2 3.79Å; L102-L107 HydrophobicContact CB-CD1 4.19Å; N105-L107 VanDerWaalsContact C-N 3.29Å; N105-L107 HydrophobicContact CB-CD1 4.4Å; N105-L107 HydrophobicContact CB-CG 4.07Å; L107-L126 HydrophobicContact CD1-CD2 3.82Å; L107-N129 HydrophobicContact CB-CB 3.99Å; L107-N129 WeakPolarHBondContact CB-OD1 3.38Å; L107-N129 PolarHBondContact N-OD1 3.19Å; L107-Q130 CarbonylContact O-C 3.54Å; L107-Q130 VanDerWaalsContact O-CA 3.26Å; L107-Q130 WeakPolarHBondContact O-CA 3.11Å; L107-Q130 PolarHBondContact O-N 2.92Å; L107-L131 HydrophobicContact CB-CD2 4.16Å; L107-L131 PolarHBondContact O-N 3.24Å | ||
| 108 | H | 97 | Very high | 97.5 | Very high | 104 Ų | 104 | 48.3 Ų | 48.3 | 48% | 0.481 | 24% | 0.236 | S | C | . | . | trans | -105.8 | -16.5 | 174.1 | 67.1 | 74.3 | 0 | 0 | 0 | 112.6 | R84 G106 | R84-H108 PolarHBondContact O-CD2 3.37Å; R84-H108 PolarHBondContact O-N 3.06Å; R84-H108 PolarHBondContact O-NE2 2.64Å; G106-H108 PolarHBondContact O-N 2.74Å | ||
| 109 | S | 96.5 | Very high | 97.3 | Very high | 46 Ų | 46 | 46.7 Ų | 46.7 | 32% | 0.322 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 139.4 | -179.5 | 62.2 | 0 | 0 | 0 | 0 | 112.9 | A85 L86 | A85-S109 WeakPolarHBondContact CA-O 3.29Å; A85-S109 VanDerWaalsContact CB-OG 3.31Å; A85-S109 WeakPolarHBondContact CB-OG 3.36Å; L86-S109 PolarHBondContact N-O 3.28Å; L86-S109 VanDerWaalsContact N-O 3.1Å |
| 110 | V | 97.9 | Very high | 97.3 | Very high | 16 Ų | 16 | 43 Ų | 43 | 10% | 0.097 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 118.3 | 173.3 | 179.1 | 0 | 0 | 0 | 0 | 108 | L86 A114 F115 L131 T138 | L86-V110 HydrophobicContact CB-CG1 4.36Å; L86-V110 HydrophobicContact CD1-CG1 4.11Å; L86-V110 HydrophobicContact CD1-CG2 4.05Å; V110-A114 HydrophobicContact CG1-CB 3.76Å; V110-F115 HydrophobicContact CG1-CD2 4.38Å; V110-F115 HydrophobicContact CG1-CE2 3.59Å; V110-F115 HydrophobicContact CG1-CZ 3.92Å; V110-L131 HydrophobicContact CG2-CD1 4.34Å; V110-L131 HydrophobicContact CG2-CD2 3.83Å; V110-T138 HydrophobicContact CB-CG2 4.46Å; V110-T138 HydrophobicContact CG1-CG2 3.76Å |
| 111 | H | 97.3 | Very high | 97.3 | Very high | 84 Ų | 84 | 43 Ų | 43 | 39% | 0.389 | 23% | 0.233 | S | C | . | . | trans | -66.2 | 144.3 | 176.2 | -168.7 | -90.5 | 0 | 0 | 0 | 110.5 | L86 R113 A114 | L86-H111 WeakPolarHBondContact O-CB 3.45Å; L86-H111 PolarHBondContact O-N 3.17Å; H111-R113 PolarHBondContact ND1-N 2.02Å; H111-R113 VanDerWaalsContact ND1-N 3.17Å; H111-R113 PolarHBondContact O-N 3.29Å; H111-A114 WeakPolarHBondContact O-CB 3.25Å; H111-A114 PolarHBondContact O-N 2.84Å | ||
| 112 | V | 95.9 | Very high | 97.3 | Very high | 50 Ų | 50 | 46.2 Ų | 46.2 | 30% | 0.303 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -23.5 | -179.1 | 65.9 | 0 | 0 | 0 | 0 | 114 | A135 P136 | V112-A135 HydrophobicContact CB-CB 4.18Å; V112-P136 WeakPolarHBondContact CG2-O 3.47Å |
| 113 | R | 96.3 | Very high | 97.3 | Very high | 131 Ų | 131 | 48.5 Ų | 48.5 | 49% | 0.494 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | 11.2 | 176.2 | -53.9 | -165.2 | -175.6 | 156.8 | 0.7 | 114.7 | P88 G89 H111 F115 W116 | P88-R113 HydrophobicContact CB-CB 4.13Å; G89-R113 PolarHBondContact N-O 3Å; H111-R113 PolarHBondContact ND1-N 2.02Å; H111-R113 VanDerWaalsContact ND1-N 3.17Å; H111-R113 PolarHBondContact O-N 3.29Å; R113-F115 VanDerWaalsContact C-N 3.3Å; R113-F115 PolarHBondContact O-N 3.12Å; R113-W116 VanDerWaalsContact CA-CD1 3.46Å; R113-W116 HydrophobicContact CB-CD2 4.08Å; R113-W116 HydrophobicContact CB-CG 3.92Å; R113-W116 HydrophobicContact CG-CD2 4.03Å; R113-W116 HydrophobicContact CG-CG 4.34Å; R113-W116 HydrophobicContact CG-CZ2 3.97Å; R113-W116 PolarHBondContact O-N 3.03Å |
| 114 | A | 97.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -41.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L86 P87 A90 V110 H111 | L86-A114 HydrophobicContact CB-CB 3.7Å; L86-A114 HydrophobicContact CD1-CB 4.41Å; P87-A114 WeakPolarHBondContact O-CA 3.4Å; A90-A114 PolarHBondContact N-O 3.17Å; V110-A114 HydrophobicContact CG1-CB 3.76Å; H111-A114 WeakPolarHBondContact O-CB 3.25Å; H111-A114 PolarHBondContact O-N 2.84Å |
| 115 | F | 97.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | 14.6 | -176.8 | -53.5 | -60 | 0 | 0 | 0 | 114.4 | L86 F91 L100 V110 R113 G117 L118 L124 L126 T138 F139 P141 L142 | L86-F115 HydrophobicContact CD1-CE1 3.84Å; L86-F115 HydrophobicContact CD1-CZ 3.76Å; F91-F115 HydrophobicContact CD2-CD1 4.13Å; F91-F115 HydrophobicContact CD2-CE1 4.49Å; F91-F115 AromaticContact CE2-CD1 3.99Å; F91-F115 HydrophobicContact CE2-CD1 3.99Å; F91-F115 AromaticContact CE2-CE1 3.89Å; F91-F115 HydrophobicContact CE2-CE1 3.89Å; L100-F115 HydrophobicContact CD2-CD1 4.42Å; L100-F115 HydrophobicContact CD2-CE1 4.19Å; V110-F115 HydrophobicContact CG1-CD2 4.38Å; V110-F115 HydrophobicContact CG1-CE2 3.59Å; V110-F115 HydrophobicContact CG1-CZ 3.92Å; R113-F115 VanDerWaalsContact C-N 3.3Å; R113-F115 PolarHBondContact O-N 3.12Å; F115-G117 PolarHBondContact O-N 2.91Å; F115-L118 HydrophobicContact CB-CD1 4.27Å; F115-L118 HydrophobicContact CD1-CD1 4.03Å; F115-L118 WeakPolarHBondContact O-CB 3.46Å; F115-L118 PolarHBondContact O-N 3.49Å; F115-L124 HydrophobicContact CE1-CD1 4.21Å; F115-L124 HydrophobicContact CE1-CD2 4.16Å; F115-L124 HydrophobicContact CE2-CD2 4.19Å; F115-L124 HydrophobicContact CZ-CD1 4.49Å; F115-L124 HydrophobicContact CZ-CD2 3.97Å; F115-L126 HydrophobicContact CE2-CD1 4.46Å; F115-L126 HydrophobicContact CZ-CD1 4.04Å; F115-L126 HydrophobicContact CZ-CD2 4.35Å; F115-T138 HydrophobicContact CD2-CG2 4.12Å; F115-T138 HydrophobicContact CE2-CG2 3.94Å; F115-F139 HydrophobicContact CD2-CD1 4.05Å; F115-F139 HydrophobicContact CD2-CE1 4.19Å; F115-F139 AromaticContact CE2-CD1 3.95Å; F115-F139 HydrophobicContact CE2-CD1 3.95Å; F115-F139 AromaticContact CE2-CE1 3.61Å; F115-F139 HydrophobicContact CE2-CE1 3.61Å; F115-F139 HydrophobicContact CZ-CE1 4.4Å; F115-P141 HydrophobicContact CB-CG 4.2Å; F115-P141 WeakPolarHBondContact O-CG 3.47Å; F115-L142 HydrophobicContact CB-CD1 4.44Å; F115-L142 HydrophobicContact CB-CD2 3.88Å; F115-L142 HydrophobicContact CB-CG 4.29Å; F115-L142 HydrophobicContact CD2-CD1 4.49Å; F115-L142 HydrophobicContact CG-CD1 4.45Å |
| 116 | W | 95.6 | Very high | 97.3 | Very high | 138 Ų | 138 | 41.1 Ų | 41.1 | 52% | 0.523 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | 136.5 | 177.3 | -85.2 | 35.2 | 0 | 0 | 0 | 111 | R113 L118 | R113-W116 VanDerWaalsContact CA-CD1 3.46Å; R113-W116 HydrophobicContact CB-CD2 4.08Å; R113-W116 HydrophobicContact CB-CG 3.92Å; R113-W116 HydrophobicContact CG-CD2 4.03Å; R113-W116 HydrophobicContact CG-CG 4.34Å; R113-W116 HydrophobicContact CG-CZ2 3.97Å; R113-W116 PolarHBondContact O-N 3.03Å; W116-L118 VanDerWaalsContact C-N 3.34Å |
| 117 | G | 93.9 | Very high | 97.4 | Very high | 58 Ų | 58 | 41.1 Ų | 41.1 | 60% | 0.598 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 88.5 | -10.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | G95 F115 G119 | G95-G117 WeakPolarHBondContact CA-O 3.28Å; F115-G117 PolarHBondContact O-N 2.91Å; G117-G119 PolarHBondContact O-N 2.87Å; G117-G119 VanDerWaalsContact O-N 3.1Å |
| 118 | L | 97.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | trans | -87 | 45.5 | 179.4 | -58.7 | -174 | 0 | 0 | 0 | 113.2 | F91 A94 L97 L100 F115 W116 A120 L121 L142 | F91-L118 HydrophobicContact CB-CD1 3.93Å; F91-L118 HydrophobicContact CB-CD2 3.88Å; F91-L118 HydrophobicContact CB-CG 4.18Å; F91-L118 HydrophobicContact CD2-CD1 3.87Å; F91-L118 HydrophobicContact CG-CD1 4.04Å; A94-L118 HydrophobicContact CB-CD2 4.28Å; A94-L118 WeakPolarHBondContact O-CD2 3.35Å; L97-L118 HydrophobicContact CB-CD2 4.23Å; L97-L118 HydrophobicContact CD2-CD2 4.36Å; L100-L118 HydrophobicContact CD2-CD1 4.17Å; F115-L118 HydrophobicContact CB-CD1 4.27Å; F115-L118 HydrophobicContact CD1-CD1 4.03Å; F115-L118 WeakPolarHBondContact O-CB 3.46Å; F115-L118 PolarHBondContact O-N 3.49Å; W116-L118 VanDerWaalsContact C-N 3.34Å; L118-A120 PolarHBondContact O-N 2.84Å; L118-L121 HydrophobicContact CB-CB 4.19Å; L118-L121 HydrophobicContact CD1-CD2 4.3Å; L118-L121 VanDerWaalsContact O-CB 3.32Å; L118-L121 WeakPolarHBondContact O-CB 3.41Å; L118-L121 PolarHBondContact O-N 3.2Å; L118-L142 HydrophobicContact CB-CD2 3.72Å; L118-L142 WeakPolarHBondContact O-CD2 3.31Å | ||
| 119 | G | 95.9 | Very high | 97.5 | Very high | 38 Ų | 38 | 38.8 Ų | 38.8 | 39% | 0.392 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -23.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | G117 A144 | G117-G119 PolarHBondContact O-N 2.87Å; G117-G119 VanDerWaalsContact O-N 3.1Å; G119-A144 VanDerWaalsContact O-CB 3.23Å; G119-A144 WeakPolarHBondContact O-CB 3.17Å; G119-A144 PolarHBondContact O-N 2.88Å |
| 120 | A | 97.6 | Very high | 97.6 | Very high | 35 Ų | 35 | 40.6 Ų | 40.6 | 29% | 0.289 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -2.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114 | L97 L118 Q122 | L97-A120 CarbonylContact O-C 3.16Å; L97-A120 VanDerWaalsContact O-C 3.25Å; L118-A120 PolarHBondContact O-N 2.84Å; A120-Q122 PolarHBondContact O-N 3.34Å |
| 121 | L | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | trans | -67.5 | 129 | -174.9 | -161.1 | 75.3 | 0 | 0 | 0 | 110.7 | L97 L100 L118 L124 L142 A144 L145 | L97-L121 HydrophobicContact CB-CD1 4.27Å; L97-L121 HydrophobicContact CD2-CD1 3.95Å; L97-L121 HydrophobicContact CG-CD1 3.95Å; L97-L121 VanDerWaalsContact O-CA 3.26Å; L97-L121 WeakPolarHBondContact O-CA 3.49Å; L97-L121 PolarHBondContact O-N 3.31Å; L97-L121 VanDerWaalsContact O-N 3.17Å; L100-L121 HydrophobicContact CB-CD1 3.83Å; L100-L121 HydrophobicContact CB-CD2 4.3Å; L118-L121 HydrophobicContact CB-CB 4.19Å; L118-L121 HydrophobicContact CD1-CD2 4.3Å; L118-L121 VanDerWaalsContact O-CB 3.32Å; L118-L121 WeakPolarHBondContact O-CB 3.41Å; L118-L121 PolarHBondContact O-N 3.2Å; L121-L124 HydrophobicContact CD2-CB 3.95Å; L121-L124 HydrophobicContact CD2-CD1 4.37Å; L121-L124 HydrophobicContact CD2-CD2 4.46Å; L121-L142 HydrophobicContact CB-CD2 4.07Å; L121-L142 HydrophobicContact CD2-CD1 4.28Å; L121-L142 HydrophobicContact CD2-CD2 3.85Å; L121-A144 CarbonylContact O-C 3.23Å; L121-L145 HydrophobicContact CD2-CD1 4.21Å; L121-L145 HydrophobicContact CG-CD1 4.31Å; L121-L145 VanDerWaalsContact O-CA 3.23Å; L121-L145 WeakPolarHBondContact O-CA 3.31Å; L121-L145 PolarHBondContact O-N 2.93Å | ||
| 122 | Q | 98.7 | Very high | 97.6 | Very high | 67 Ų | 67 | 41.5 Ų | 41.5 | 31% | 0.313 | 23% | 0.23 | S | C | . | . | trans | -110.8 | -35.1 | -178.1 | -60.3 | -177.2 | 6.8 | 0 | 0 | 112 | Q98 A120 R146 N147 | Q98-Q122 WeakPolarHBondContact O-CA 3.45Å; Q98-Q122 PolarHBondContact O-N 3.1Å; A120-Q122 PolarHBondContact O-N 3.34Å; Q122-R146 PolarHBondContact O-N 2.98Å; Q122-N147 PolarHBondContact O-N 3.14Å | ||
| 123 | L | 98.8 | Very high | 97.6 | Very high | 49 Ų | 49 | 42.4 Ų | 42.4 | 26% | 0.257 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 123.2 | 179 | -168.8 | 158.4 | 0 | 0 | 0 | 109.7 | Q98 R99 L100 D125 N147 | Q98-L123 PolarHBondContact O-N 3.29Å; R99-L123 WeakPolarHBondContact CA-O 3.45Å; R99-L123 HydrophobicContact CG-CB 4.32Å; R99-L123 HydrophobicContact CG-CD2 4.12Å; L100-L123 PolarHBondContact N-O 3.2Å; L123-D125 HydrophobicContact CD2-CB 4.26Å; L123-N147 HydrophobicContact CB-CB 4.46Å; L123-N147 HydrophobicContact CG-CB 4.08Å |
| 124 | L | 98.8 | Very high | 97.6 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 118.6 | 171.1 | 177.6 | 55.7 | 0 | 0 | 0 | 109.5 | L100 F115 L121 L126 F139 L142 L145 N147 L148 S149 | L100-L124 HydrophobicContact CB-CD1 4.08Å; L100-L124 HydrophobicContact CD2-CD1 3.87Å; L100-L124 HydrophobicContact CG-CD1 3.95Å; F115-L124 HydrophobicContact CE1-CD1 4.21Å; F115-L124 HydrophobicContact CE1-CD2 4.16Å; F115-L124 HydrophobicContact CE2-CD2 4.19Å; F115-L124 HydrophobicContact CZ-CD1 4.49Å; F115-L124 HydrophobicContact CZ-CD2 3.97Å; L121-L124 HydrophobicContact CD2-CB 3.95Å; L121-L124 HydrophobicContact CD2-CD1 4.37Å; L121-L124 HydrophobicContact CD2-CD2 4.46Å; L124-L126 HydrophobicContact CD1-CD1 4.45Å; L124-L126 HydrophobicContact CD1-CD2 4.47Å; L124-L126 HydrophobicContact CD1-CG 4.06Å; L124-L126 HydrophobicContact CD2-CD1 3.97Å; L124-L126 HydrophobicContact CD2-CG 4.44Å; L124-L126 HydrophobicContact CG-CD1 4.13Å; L124-L126 HydrophobicContact CG-CG 4.08Å; L124-F139 HydrophobicContact CD2-CD1 4.01Å; L124-F139 HydrophobicContact CD2-CE1 3.8Å; L124-L142 HydrophobicContact CD2-CD1 3.69Å; L124-L145 HydrophobicContact CB-CD1 3.83Å; L124-N147 PolarHBondContact N-O 3.35Å; L124-L148 HydrophobicContact CB-CD1 4.1Å; L124-L148 HydrophobicContact CD2-CD1 3.94Å; L124-L148 HydrophobicContact CG-CD1 3.98Å; L124-L148 WeakPolarHBondContact O-CA 3.44Å; L124-S149 PolarHBondContact O-N 2.97Å |
| 125 | D | 98.8 | Very high | 97.5 | Very high | 27 Ų | 27 | 39.2 Ų | 39.2 | 14% | 0.144 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 114 | 173.1 | -159.3 | -23.8 | 0 | 0 | 0 | 110.4 | L100 L102 L123 S127 S149 | L100-D125 PolarHBondContact O-N 2.96Å; L102-D125 WeakPolarHBondContact CA-O 3.43Å; L102-D125 WeakPolarHBondContact CB-O 3.03Å; L102-D125 PolarHBondContact N-O 2.98Å; L123-D125 HydrophobicContact CD2-CB 4.26Å; D125-S127 WeakPolarHBondContact OD1-CB 3.16Å; D125-S127 PolarHBondContact OD1-N 3.17Å; D125-S127 PolarHBondContact OD1-OG 2.99Å; D125-S149 WeakPolarHBondContact OD1-CB 3.31Å |
| 126 | L | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | trans | -116.9 | 20.6 | 174.2 | -70.6 | 167.1 | 0 | 0 | 0 | 110.7 | L102 L107 F115 L124 N129 L131 F139 S149 L150 N153 | L102-L126 HydrophobicContact CB-CD2 3.95Å; L102-L126 HydrophobicContact CD1-CD2 3.73Å; L107-L126 HydrophobicContact CD1-CD2 3.82Å; F115-L126 HydrophobicContact CE2-CD1 4.46Å; F115-L126 HydrophobicContact CZ-CD1 4.04Å; F115-L126 HydrophobicContact CZ-CD2 4.35Å; L124-L126 HydrophobicContact CD1-CD1 4.45Å; L124-L126 HydrophobicContact CD1-CD2 4.47Å; L124-L126 HydrophobicContact CD1-CG 4.06Å; L124-L126 HydrophobicContact CD2-CD1 3.97Å; L124-L126 HydrophobicContact CD2-CG 4.44Å; L124-L126 HydrophobicContact CG-CD1 4.13Å; L124-L126 HydrophobicContact CG-CG 4.08Å; L126-N129 PolarHBondContact O-ND2 3.28Å; L126-L131 HydrophobicContact CB-CD1 4.49Å; L126-F139 HydrophobicContact CD1-CE1 3.83Å; L126-F139 HydrophobicContact CD1-CZ 4.01Å; L126-S149 CarbonylContact C-O 3.5Å; L126-S149 WeakPolarHBondContact CA-O 3.3Å; L126-S149 WeakPolarHBondContact CB-O 3.31Å; L126-S149 PolarHBondContact N-O 2.94Å; L126-L150 HydrophobicContact CB-CD2 4.03Å; L126-L150 HydrophobicContact CD1-CD2 3.93Å; L126-N153 PolarHBondContact O-ND2 2.98Å | ||
| 127 | S | 98.8 | Very high | 97.3 | Very high | 19 Ų | 19 | 38.1 Ų | 38.1 | 13% | 0.133 | 26% | 0.255 | C | S | . | . | trans | -68.4 | 161.5 | -175.8 | 60.7 | 0 | 0 | 0 | 0 | 113.9 | R103 E104 D125 N129 A151 | R103-S127 WeakPolarHBondContact CA-O 3.15Å; R103-S127 WeakPolarHBondContact CB-OG 3.42Å; E104-S127 PolarHBondContact N-O 2.94Å; E104-S127 VanDerWaalsContact N-O 3.15Å; D125-S127 WeakPolarHBondContact OD1-CB 3.16Å; D125-S127 PolarHBondContact OD1-N 3.17Å; D125-S127 PolarHBondContact OD1-OG 2.99Å; S127-N129 VanDerWaalsContact C-N 3.29Å; S127-N129 PolarHBondContact O-N 2.86Å; S127-N129 PolarHBondContact O-ND2 2.93Å; S127-N129 VanDerWaalsContact O-ND2 3.14Å; S127-A151 CarbonylContact C-O 3.5Å; S127-A151 WeakPolarHBondContact CA-O 3.45Å; S127-A151 VanDerWaalsContact CB-O 3.32Å; S127-A151 WeakPolarHBondContact CB-O 3.5Å | ||
| 128 | A | 98.6 | Very high | 97.4 | Very high | 46 Ų | 46 | 35.3 Ų | 35.3 | 38% | 0.38 | 23% | 0.227 | S | C | . | . | S | Bend | trans | 52.5 | 47.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | E104 A151 G152 | E104-A128 VanDerWaalsContact CA-O 3.29Å; E104-A128 WeakPolarHBondContact CA-O 3.42Å; E104-A128 HydrophobicContact CG-CB 3.56Å; E104-A128 PolarHBondContact N-O 3.35Å; A128-A151 PolarHBondContact N-O 3.03Å; A128-G152 CarbonylContact C-O 3.59Å; A128-G152 WeakPolarHBondContact CA-O 3.47Å; A128-G152 PolarHBondContact N-O 2.8Å |
| 129 | N | 98.8 | Very high | 97.4 | Very high | 9 Ų | 9 | 35.3 Ų | 35.3 | 5% | 0.048 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -118.8 | -165.4 | 176.9 | -81.9 | -60.8 | 0 | 0 | 0 | 109.8 | L102 N105 G106 L107 L126 S127 L131 G152 N153 | L102-N129 PolarHBondContact O-ND2 2.96Å; N105-N129 WeakPolarHBondContact CA-OD1 3.32Å; N105-N129 WeakPolarHBondContact CB-OD1 3.09Å; N105-N129 PolarHBondContact N-OD1 3.03Å; G106-N129 PolarHBondContact N-OD1 3.33Å; L107-N129 HydrophobicContact CB-CB 3.99Å; L107-N129 WeakPolarHBondContact CB-OD1 3.38Å; L107-N129 PolarHBondContact N-OD1 3.19Å; L126-N129 PolarHBondContact O-ND2 3.28Å; S127-N129 VanDerWaalsContact C-N 3.29Å; S127-N129 PolarHBondContact O-N 2.86Å; S127-N129 PolarHBondContact O-ND2 2.93Å; S127-N129 VanDerWaalsContact O-ND2 3.14Å; N129-L131 HydrophobicContact CB-CG 4.45Å; N129-G152 PolarHBondContact N-O 2.9Å; N129-G152 VanDerWaalsContact N-O 3.14Å; N129-G152 VanDerWaalsContact O-O 3.13Å; N129-N153 WeakPolarHBondContact CA-OD1 3.37Å; N129-N153 WeakPolarHBondContact CB-OD1 3.41Å; N129-N153 PolarHBondContact O-OD1 3.06Å |
| 130 | Q | 98.3 | Very high | 97.3 | Very high | 84 Ų | 84 | 35 Ų | 35 | 39% | 0.393 | 22% | 0.22 | S | C | . | . | trans | -124.9 | 32.2 | -174 | -55.1 | -174.8 | 6.7 | 0 | 0 | 111.1 | L107 E132 N153 | L107-Q130 CarbonylContact O-C 3.54Å; L107-Q130 VanDerWaalsContact O-CA 3.26Å; L107-Q130 WeakPolarHBondContact O-CA 3.11Å; L107-Q130 PolarHBondContact O-N 2.92Å; Q130-E132 PolarHBondContact O-N 2.96Å; Q130-N153 PolarHBondContact N-OD1 3.31Å | ||
| 131 | L | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -75 | 121.3 | -178 | -59.1 | 174 | 0 | 0 | 0 | 110.3 | L107 V110 L126 N129 L150 N153 R154 L155 | L107-L131 HydrophobicContact CB-CD2 4.16Å; L107-L131 PolarHBondContact O-N 3.24Å; V110-L131 HydrophobicContact CG2-CD1 4.34Å; V110-L131 HydrophobicContact CG2-CD2 3.83Å; L126-L131 HydrophobicContact CB-CD1 4.49Å; N129-L131 HydrophobicContact CB-CG 4.45Å; L131-L150 HydrophobicContact CD1-CD2 4.4Å; L131-N153 HydrophobicContact CB-CB 4.26Å; L131-N153 VanDerWaalsContact CB-OD1 3.31Å; L131-N153 WeakPolarHBondContact CB-OD1 3.47Å; L131-N153 WeakPolarHBondContact CG-OD1 3.31Å; L131-N153 PolarHBondContact N-OD1 3.41Å; L131-R154 CarbonylContact O-C 3.11Å; L131-R154 VanDerWaalsContact O-C 3.23Å; L131-R154 WeakPolarHBondContact O-CA 3.43Å; L131-R154 PolarHBondContact O-N 3.07Å; L131-L155 HydrophobicContact CB-CD2 4.24Å; L131-L155 WeakPolarHBondContact O-CD2 3.38Å; L131-L155 PolarHBondContact O-N 2.78Å | ||
| 132 | E | 97.5 | Very high | 97.1 | Very high | 119 Ų | 119 | 34.6 Ų | 34.6 | 56% | 0.556 | 22% | 0.215 | S | C | * | . | trans | -96.2 | -31.4 | 178.1 | -67.5 | 175.9 | -169.2 | 0 | 0 | 112.4 | Q130 R154 | Q130-E132 PolarHBondContact O-N 2.96Å; E132-R154 WeakPolarHBondContact CA-O 3.35Å; E132-R154 HydrophobicContact CG-CB 3.96Å; E132-R154 IonicContact OE1-NH1 3.8Å | ||
| 133 | A | 95.2 | Very high | 96.9 | Very high | 70 Ų | 70 | 38.5 Ų | 38.5 | 58% | 0.579 | 23% | 0.227 | S | C | * | . | trans | -150.4 | 159.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 134 | L | 96.4 | Very high | 96.8 | Very high | 23 Ų | 23 | 37.3 Ų | 37.3 | 12% | 0.12 | 22% | 0.224 | C | C | . | . | trans | -124.2 | 130.4 | 177.5 | -71 | 159.7 | 0 | 0 | 0 | 109.7 | T138 F139 L150 L155 L158 A162 | L134-T138 HydrophobicContact CD2-CG2 4.29Å; L134-F139 HydrophobicContact CD1-CE2 3.75Å; L134-F139 HydrophobicContact CD1-CZ 4.19Å; L134-F139 HydrophobicContact CD2-CE2 4.02Å; L134-F139 HydrophobicContact CD2-CZ 3.86Å; L134-F139 HydrophobicContact CG-CE2 4.4Å; L134-L150 HydrophobicContact CD1-CD1 3.94Å; L134-L150 HydrophobicContact CD1-CD2 4.33Å; L134-L155 HydrophobicContact CD1-CD1 4.19Å; L134-L155 HydrophobicContact CD1-CD2 4.17Å; L134-L155 HydrophobicContact CG-CD2 4.2Å; L134-L158 HydrophobicContact CD1-CD1 3.79Å; L134-A162 HydrophobicContact CB-CB 3.91Å | ||
| 135 | A | 95.6 | Very high | 96.8 | Very high | 40 Ų | 40 | 37.3 Ų | 37.3 | 33% | 0.331 | 22% | 0.224 | S | C | . | . | trans | -68.1 | 148.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | V112 G137 T138 | V112-A135 HydrophobicContact CB-CB 4.18Å; A135-G137 PolarHBondContact O-N 3.02Å; A135-T138 PolarHBondContact N-OG1 3.11Å; A135-T138 WeakPolarHBondContact O-CB 3.49Å; A135-T138 PolarHBondContact O-N 3.29Å; A135-T138 VanDerWaalsContact O-N 3.17Å; A135-T138 PolarHBondContact O-OG1 2.93Å | ||
| 136 | P | 95.5 | Very high | 96.8 | Very high | 95 Ų | 95 | 41 Ų | 41 | 62% | 0.617 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | 128.1 | 171.9 | -28.8 | 36.9 | 0 | 0 | 0 | 112.2 | V112 A161 | V112-P136 WeakPolarHBondContact CG2-O 3.47Å; P136-A161 CarbonylContact C-O 3.25Å; P136-A161 WeakPolarHBondContact CA-O 3.26Å; P136-A161 HydrophobicContact CB-CB 4.04Å; P136-A161 HydrophobicContact CG-CB 4.45Å |
| 137 | G | 93.6 | Very high | 96.8 | Very high | 20 Ų | 20 | 44.2 Ų | 44.2 | 21% | 0.206 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.5 | 9.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | A135 F139 A140 A161 | A135-G137 PolarHBondContact O-N 3.02Å; G137-F139 PolarHBondContact O-N 3.03Å; G137-A140 WeakPolarHBondContact O-CB 3.47Å; G137-A140 PolarHBondContact O-N 2.8Å; G137-A140 VanDerWaalsContact O-N 3.14Å; G137-A161 PolarHBondContact N-O 2.91Å |
| 138 | T | 96.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | -41 | 178.9 | -63.4 | 0 | 0 | 0 | 0 | 111.9 | V110 F115 L134 A135 A162 | V110-T138 HydrophobicContact CB-CG2 4.46Å; V110-T138 HydrophobicContact CG1-CG2 3.76Å; F115-T138 HydrophobicContact CD2-CG2 4.12Å; F115-T138 HydrophobicContact CE2-CG2 3.94Å; L134-T138 HydrophobicContact CD2-CG2 4.29Å; A135-T138 PolarHBondContact N-OG1 3.11Å; A135-T138 WeakPolarHBondContact O-CB 3.49Å; A135-T138 PolarHBondContact O-N 3.29Å; A135-T138 VanDerWaalsContact O-N 3.17Å; A135-T138 PolarHBondContact O-OG1 2.93Å; T138-A162 PolarHBondContact N-O 3.29Å |
| 139 | F | 96.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | -0.1 | -178.9 | -53.3 | -65.6 | 0 | 0 | 0 | 114.7 | F115 L124 L126 L134 G137 P141 L142 L148 L150 L163 L166 | F115-F139 HydrophobicContact CD2-CD1 4.05Å; F115-F139 HydrophobicContact CD2-CE1 4.19Å; F115-F139 AromaticContact CE2-CD1 3.95Å; F115-F139 HydrophobicContact CE2-CD1 3.95Å; F115-F139 AromaticContact CE2-CE1 3.61Å; F115-F139 HydrophobicContact CE2-CE1 3.61Å; F115-F139 HydrophobicContact CZ-CE1 4.4Å; L124-F139 HydrophobicContact CD2-CD1 4.01Å; L124-F139 HydrophobicContact CD2-CE1 3.8Å; L126-F139 HydrophobicContact CD1-CE1 3.83Å; L126-F139 HydrophobicContact CD1-CZ 4.01Å; L134-F139 HydrophobicContact CD1-CE2 3.75Å; L134-F139 HydrophobicContact CD1-CZ 4.19Å; L134-F139 HydrophobicContact CD2-CE2 4.02Å; L134-F139 HydrophobicContact CD2-CZ 3.86Å; L134-F139 HydrophobicContact CG-CE2 4.4Å; G137-F139 PolarHBondContact O-N 3.03Å; F139-P141 VanDerWaalsContact C-N 3.32Å; F139-P141 VanDerWaalsContact O-N 3.16Å; F139-L142 HydrophobicContact CB-CD1 4.21Å; F139-L142 HydrophobicContact CD1-CD1 3.8Å; F139-L142 HydrophobicContact CG-CD1 4.48Å; F139-L142 WeakPolarHBondContact O-CB 3.47Å; F139-L142 PolarHBondContact O-N 2.89Å; F139-L148 HydrophobicContact CD2-CD2 4.29Å; F139-L148 HydrophobicContact CE1-CD1 4.26Å; F139-L148 HydrophobicContact CE2-CD2 4.24Å; F139-L148 HydrophobicContact CG-CD2 4.47Å; F139-L148 HydrophobicContact CZ-CD1 4.44Å; F139-L148 HydrophobicContact CZ-CD2 4.43Å; F139-L150 HydrophobicContact CE2-CD1 4.39Å; F139-L150 HydrophobicContact CZ-CD2 4.11Å; F139-L163 HydrophobicContact CD2-CD2 3.71Å; F139-L163 HydrophobicContact CE2-CD2 4.02Å; F139-L166 HydrophobicContact CB-CD1 4.35Å; F139-L166 HydrophobicContact CB-CD2 4.33Å |
| 140 | A | 93.9 | Very high | 96.8 | Very high | 31 Ų | 31 | 41.9 Ų | 41.9 | 26% | 0.256 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -31.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | G137 L142 R143 | G137-A140 WeakPolarHBondContact O-CB 3.47Å; G137-A140 PolarHBondContact O-N 2.8Å; G137-A140 VanDerWaalsContact O-N 3.14Å; A140-L142 VanDerWaalsContact C-N 3.26Å; A140-L142 PolarHBondContact O-N 3.18Å; A140-R143 PolarHBondContact O-NE 2.89Å |
| 141 | P | 94.6 | Very high | 96.8 | Very high | 27 Ų | 27 | 38.2 Ų | 38.2 | 18% | 0.175 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -16.4 | 175.6 | 27.6 | -36 | 0 | 0 | 0 | 114.1 | F115 F139 R143 | F115-P141 HydrophobicContact CB-CG 4.2Å; F115-P141 WeakPolarHBondContact O-CG 3.47Å; F139-P141 VanDerWaalsContact C-N 3.32Å; F139-P141 VanDerWaalsContact O-N 3.16Å; P141-R143 VanDerWaalsContact C-N 3.28Å; P141-R143 PolarHBondContact O-N 3.34Å |
| 142 | L | 97 | Very high | 96.8 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 23% | 0.232 | C | C | . | . | trans | -84.4 | 61.9 | -170.9 | -53.9 | -178.9 | 0 | 0 | 0 | 112.2 | F115 L118 L121 L124 F139 A140 A144 L145 L166 | F115-L142 HydrophobicContact CB-CD1 4.44Å; F115-L142 HydrophobicContact CB-CD2 3.88Å; F115-L142 HydrophobicContact CB-CG 4.29Å; F115-L142 HydrophobicContact CD2-CD1 4.49Å; F115-L142 HydrophobicContact CG-CD1 4.45Å; L118-L142 HydrophobicContact CB-CD2 3.72Å; L118-L142 WeakPolarHBondContact O-CD2 3.31Å; L121-L142 HydrophobicContact CB-CD2 4.07Å; L121-L142 HydrophobicContact CD2-CD1 4.28Å; L121-L142 HydrophobicContact CD2-CD2 3.85Å; L124-L142 HydrophobicContact CD2-CD1 3.69Å; F139-L142 HydrophobicContact CB-CD1 4.21Å; F139-L142 HydrophobicContact CD1-CD1 3.8Å; F139-L142 HydrophobicContact CG-CD1 4.48Å; F139-L142 WeakPolarHBondContact O-CB 3.47Å; F139-L142 PolarHBondContact O-N 2.89Å; A140-L142 VanDerWaalsContact C-N 3.26Å; A140-L142 PolarHBondContact O-N 3.18Å; L142-A144 VanDerWaalsContact C-N 3.28Å; L142-A144 PolarHBondContact O-N 3.2Å; L142-L145 HydrophobicContact CB-CB 3.93Å; L142-L145 HydrophobicContact CB-CD2 4.19Å; L142-L145 HydrophobicContact CB-CG 4.45Å; L142-L145 HydrophobicContact CD1-CD1 4.32Å; L142-L145 HydrophobicContact CD1-CD2 3.91Å; L142-L145 VanDerWaalsContact O-CB 3.26Å; L142-L145 WeakPolarHBondContact O-CB 3.27Å; L142-L145 PolarHBondContact O-N 2.56Å; L142-L145 VanDerWaalsContact O-N 3.17Å; L142-L166 HydrophobicContact CB-CD2 4.41Å | ||
| 143 | R | 94.8 | Very high | 96.9 | Very high | 149 Ų | 149 | 34.3 Ų | 34.3 | 56% | 0.562 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -24.9 | -171.6 | -60.6 | -60 | -177.5 | 141.1 | 6 | 114.5 | A140 P141 | A140-R143 PolarHBondContact O-NE 2.89Å; P141-R143 VanDerWaalsContact C-N 3.28Å; P141-R143 PolarHBondContact O-N 3.34Å |
| 144 | A | 97.8 | Very high | 97.1 | Very high | 23 Ų | 23 | 35.3 Ų | 35.3 | 19% | 0.19 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 2.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | G119 L121 L142 R146 | G119-A144 VanDerWaalsContact O-CB 3.23Å; G119-A144 WeakPolarHBondContact O-CB 3.17Å; G119-A144 PolarHBondContact O-N 2.88Å; L121-A144 CarbonylContact O-C 3.23Å; L142-A144 VanDerWaalsContact C-N 3.28Å; L142-A144 PolarHBondContact O-N 3.2Å; A144-R146 PolarHBondContact O-N 3.12Å |
| 145 | L | 98.5 | Very high | 97.1 | Very high | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | trans | -65.9 | 129.6 | -171.5 | -160.7 | 71.3 | 0 | 0 | 0 | 111.2 | L121 L124 L142 L148 L166 L168 L169 | L121-L145 HydrophobicContact CD2-CD1 4.21Å; L121-L145 HydrophobicContact CG-CD1 4.31Å; L121-L145 VanDerWaalsContact O-CA 3.23Å; L121-L145 WeakPolarHBondContact O-CA 3.31Å; L121-L145 PolarHBondContact O-N 2.93Å; L124-L145 HydrophobicContact CB-CD1 3.83Å; L142-L145 HydrophobicContact CB-CB 3.93Å; L142-L145 HydrophobicContact CB-CD2 4.19Å; L142-L145 HydrophobicContact CB-CG 4.45Å; L142-L145 HydrophobicContact CD1-CD1 4.32Å; L142-L145 HydrophobicContact CD1-CD2 3.91Å; L142-L145 VanDerWaalsContact O-CB 3.26Å; L142-L145 WeakPolarHBondContact O-CB 3.27Å; L142-L145 PolarHBondContact O-N 2.56Å; L142-L145 VanDerWaalsContact O-N 3.17Å; L145-L148 HydrophobicContact CD2-CB 3.99Å; L145-L148 HydrophobicContact CD2-CD1 4.46Å; L145-L148 HydrophobicContact CD2-CD2 4.38Å; L145-L166 HydrophobicContact CD2-CD1 4.42Å; L145-L166 HydrophobicContact CD2-CD2 4.49Å; L145-L168 CarbonylContact O-C 3.14Å; L145-L169 HydrophobicContact CB-CD1 4.42Å; L145-L169 HydrophobicContact CD2-CD1 3.96Å; L145-L169 HydrophobicContact CG-CD1 3.97Å; L145-L169 VanDerWaalsContact O-CA 3.28Å; L145-L169 WeakPolarHBondContact O-CA 3.29Å; L145-L169 PolarHBondContact O-N 3.05Å; L145-L169 VanDerWaalsContact O-N 3.11Å | ||
| 146 | R | 98.6 | Very high | 97.2 | Very high | 104 Ų | 104 | 35 Ų | 35 | 39% | 0.392 | 20% | 0.197 | S | C | . | . | trans | -113.9 | -34.5 | 179.3 | -67.4 | 179.2 | 177.2 | 173.4 | -2.3 | 112 | Q122 A144 R170 S171 | Q122-R146 PolarHBondContact O-N 2.98Å; A144-R146 PolarHBondContact O-N 3.12Å; R146-R170 PolarHBondContact O-N 3.28Å; R146-S171 PolarHBondContact O-N 3.39Å | ||
| 147 | N | 98.8 | Very high | 97.1 | Very high | 68 Ų | 68 | 33.5 Ų | 33.5 | 36% | 0.364 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 122.1 | -176.1 | -67 | 68.7 | 0 | 0 | 0 | 109.3 | Q122 L123 L124 S171 | Q122-N147 PolarHBondContact O-N 3.14Å; L123-N147 HydrophobicContact CB-CB 4.46Å; L123-N147 HydrophobicContact CG-CB 4.08Å; L124-N147 PolarHBondContact N-O 3.35Å; N147-S171 WeakPolarHBondContact CA-O 3.2Å; N147-S171 WeakPolarHBondContact ND2-CB 3.39Å |
| 148 | L | 98.7 | Very high | 97.2 | Very high | 4 Ų | 4 | 32.7 Ų | 32.7 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 119.6 | 174.5 | 177.7 | 56.4 | 0 | 0 | 0 | 109.2 | L124 F139 L145 L150 L163 L169 S171 L172 S173 | L124-L148 HydrophobicContact CB-CD1 4.1Å; L124-L148 HydrophobicContact CD2-CD1 3.94Å; L124-L148 HydrophobicContact CG-CD1 3.98Å; L124-L148 WeakPolarHBondContact O-CA 3.44Å; F139-L148 HydrophobicContact CD2-CD2 4.29Å; F139-L148 HydrophobicContact CE1-CD1 4.26Å; F139-L148 HydrophobicContact CE2-CD2 4.24Å; F139-L148 HydrophobicContact CG-CD2 4.47Å; F139-L148 HydrophobicContact CZ-CD1 4.44Å; F139-L148 HydrophobicContact CZ-CD2 4.43Å; L145-L148 HydrophobicContact CD2-CB 3.99Å; L145-L148 HydrophobicContact CD2-CD1 4.46Å; L145-L148 HydrophobicContact CD2-CD2 4.38Å; L148-L150 HydrophobicContact CD1-CG 4.3Å; L148-L150 HydrophobicContact CD2-CD1 4.19Å; L148-L150 HydrophobicContact CG-CD1 4.38Å; L148-L150 HydrophobicContact CG-CG 4.24Å; L148-L163 HydrophobicContact CD2-CD2 4.02Å; L148-L169 HydrophobicContact CB-CD1 3.8Å; L148-S171 PolarHBondContact N-O 2.95Å; L148-L172 HydrophobicContact CB-CD1 4.05Å; L148-L172 HydrophobicContact CD2-CD1 3.96Å; L148-L172 HydrophobicContact CG-CD1 3.95Å; L148-L172 WeakPolarHBondContact O-CA 3.15Å; L148-S173 PolarHBondContact O-N 3.03Å |
| 149 | S | 98.7 | Very high | 97.1 | Very high | 22 Ų | 22 | 37.6 Ų | 37.6 | 15% | 0.154 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 120.7 | 171.6 | -170.8 | 0 | 0 | 0 | 0 | 110.2 | L124 D125 L126 | L124-S149 PolarHBondContact O-N 2.97Å; D125-S149 WeakPolarHBondContact OD1-CB 3.31Å; L126-S149 CarbonylContact C-O 3.5Å; L126-S149 WeakPolarHBondContact CA-O 3.3Å; L126-S149 WeakPolarHBondContact CB-O 3.31Å; L126-S149 PolarHBondContact N-O 2.94Å |
| 150 | L | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | trans | -117.7 | 16.8 | 169.8 | -67.5 | 166.7 | 0 | 0 | 0 | 110.6 | L126 L131 L134 F139 L148 N153 L155 S173 L174 N177 | L126-L150 HydrophobicContact CB-CD2 4.03Å; L126-L150 HydrophobicContact CD1-CD2 3.93Å; L131-L150 HydrophobicContact CD1-CD2 4.4Å; L134-L150 HydrophobicContact CD1-CD1 3.94Å; L134-L150 HydrophobicContact CD1-CD2 4.33Å; F139-L150 HydrophobicContact CE2-CD1 4.39Å; F139-L150 HydrophobicContact CZ-CD2 4.11Å; L148-L150 HydrophobicContact CD1-CG 4.3Å; L148-L150 HydrophobicContact CD2-CD1 4.19Å; L148-L150 HydrophobicContact CG-CD1 4.38Å; L148-L150 HydrophobicContact CG-CG 4.24Å; L150-N153 PolarHBondContact O-ND2 2.6Å; L150-L155 HydrophobicContact CB-CD1 4.1Å; L150-L155 HydrophobicContact CD1-CD1 4.18Å; L150-S173 CarbonylContact C-O 3.55Å; L150-S173 WeakPolarHBondContact CA-O 3.37Å; L150-S173 PolarHBondContact N-O 2.86Å; L150-L174 HydrophobicContact CB-CD2 4.11Å; L150-L174 HydrophobicContact CD1-CD2 3.98Å; L150-N177 PolarHBondContact O-ND2 3.29Å | ||
| 151 | A | 98.6 | Very high | 96.8 | Very high | 7 Ų | 7 | 39.9 Ų | 39.9 | 6% | 0.058 | 22% | 0.22 | C | C | . | . | trans | -56.2 | 147 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | S127 A128 N153 S173 Q175 | S127-A151 CarbonylContact C-O 3.5Å; S127-A151 WeakPolarHBondContact CA-O 3.45Å; S127-A151 VanDerWaalsContact CB-O 3.32Å; S127-A151 WeakPolarHBondContact CB-O 3.5Å; A128-A151 PolarHBondContact N-O 3.03Å; A151-N153 PolarHBondContact O-N 2.65Å; A151-N153 PolarHBondContact O-ND2 3.01Å; A151-S173 PolarHBondContact N-O 3.15Å; A151-Q175 CarbonylContact C-O 3.22Å; A151-Q175 VanDerWaalsContact CA-O 3.23Å; A151-Q175 WeakPolarHBondContact CA-O 3.39Å; A151-Q175 HydrophobicContact CB-CG 3.4Å | ||
| 152 | G | 98.5 | Very high | 96.7 | Very high | 28 Ų | 28 | 38.7 Ų | 38.7 | 29% | 0.289 | 21% | 0.212 | S | C | . | . | S | Bend | trans | 62.2 | 43 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | A128 N129 Q175 D176 | A128-G152 CarbonylContact C-O 3.59Å; A128-G152 WeakPolarHBondContact CA-O 3.47Å; A128-G152 PolarHBondContact N-O 2.8Å; N129-G152 PolarHBondContact N-O 2.9Å; N129-G152 VanDerWaalsContact N-O 3.14Å; N129-G152 VanDerWaalsContact O-O 3.13Å; G152-Q175 PolarHBondContact N-O 2.96Å; G152-D176 WeakPolarHBondContact CA-O 3.28Å; G152-D176 PolarHBondContact N-O 2.81Å |
| 153 | N | 98.8 | Very high | 96.4 | Very high | 9 Ų | 9 | 38.7 Ų | 38.7 | 5% | 0.048 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -115.5 | -166 | 171.7 | -82.1 | -80.1 | 0 | 0 | 0 | 108.8 | L126 N129 Q130 L131 L150 A151 L155 D176 N177 | L126-N153 PolarHBondContact O-ND2 2.98Å; N129-N153 WeakPolarHBondContact CA-OD1 3.37Å; N129-N153 WeakPolarHBondContact CB-OD1 3.41Å; N129-N153 PolarHBondContact O-OD1 3.06Å; Q130-N153 PolarHBondContact N-OD1 3.31Å; L131-N153 HydrophobicContact CB-CB 4.26Å; L131-N153 VanDerWaalsContact CB-OD1 3.31Å; L131-N153 WeakPolarHBondContact CB-OD1 3.47Å; L131-N153 WeakPolarHBondContact CG-OD1 3.31Å; L131-N153 PolarHBondContact N-OD1 3.41Å; L150-N153 PolarHBondContact O-ND2 2.6Å; A151-N153 PolarHBondContact O-N 2.65Å; A151-N153 PolarHBondContact O-ND2 3.01Å; N153-L155 HydrophobicContact CB-CG 4.25Å; N153-D176 PolarHBondContact N-O 3.42Å; N153-N177 WeakPolarHBondContact CA-OD1 3.15Å; N153-N177 WeakPolarHBondContact CB-OD1 3.4Å; N153-N177 PolarHBondContact O-OD1 3.14Å |
| 154 | R | 98.3 | Very high | 96.1 | Very high | 91 Ų | 91 | 32.4 Ų | 32.4 | 34% | 0.343 | 19% | 0.194 | S | C | . | . | trans | -120.2 | 33.9 | -179.9 | -56.5 | -177.8 | -148.5 | 167 | 4.4 | 111.3 | L131 E132 A156 N177 | L131-R154 CarbonylContact O-C 3.11Å; L131-R154 VanDerWaalsContact O-C 3.23Å; L131-R154 WeakPolarHBondContact O-CA 3.43Å; L131-R154 PolarHBondContact O-N 3.07Å; E132-R154 WeakPolarHBondContact CA-O 3.35Å; E132-R154 HydrophobicContact CG-CB 3.96Å; E132-R154 IonicContact OE1-NH1 3.8Å; R154-A156 PolarHBondContact O-N 3.28Å; R154-A156 VanDerWaalsContact O-N 3.12Å; R154-N177 PolarHBondContact N-OD1 3.14Å | ||
| 155 | L | 98.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | -71 | 111.2 | -175.4 | -62.9 | 172.5 | 0 | 0 | 0 | 109.6 | L131 L134 L150 N153 N177 E178 L179 | L131-L155 HydrophobicContact CB-CD2 4.24Å; L131-L155 WeakPolarHBondContact O-CD2 3.38Å; L131-L155 PolarHBondContact O-N 2.78Å; L134-L155 HydrophobicContact CD1-CD1 4.19Å; L134-L155 HydrophobicContact CD1-CD2 4.17Å; L134-L155 HydrophobicContact CG-CD2 4.2Å; L150-L155 HydrophobicContact CB-CD1 4.1Å; L150-L155 HydrophobicContact CD1-CD1 4.18Å; N153-L155 HydrophobicContact CB-CG 4.25Å; L155-N177 HydrophobicContact CB-CB 4.38Å; L155-N177 VanDerWaalsContact CB-OD1 3.28Å; L155-N177 WeakPolarHBondContact CB-OD1 3.35Å; L155-N177 WeakPolarHBondContact CG-OD1 3.11Å; L155-N177 PolarHBondContact N-OD1 3.41Å; L155-E178 CarbonylContact O-C 3.56Å; L155-E178 WeakPolarHBondContact O-CA 3.49Å; L155-E178 PolarHBondContact O-N 3.35Å; L155-L179 HydrophobicContact CB-CD2 4.31Å; L155-L179 WeakPolarHBondContact O-CD2 3.21Å; L155-L179 WeakPolarHBondContact O-CG 3.29Å; L155-L179 PolarHBondContact O-N 3.15Å | ||
| 156 | A | 96.5 | Very high | 95.4 | Very high | 56 Ų | 56 | 33.4 Ų | 33.4 | 46% | 0.463 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -82.1 | -24.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | R154 E178 | R154-A156 PolarHBondContact O-N 3.28Å; R154-A156 VanDerWaalsContact O-N 3.12Å; A156-E178 HydrophobicContact CB-CB 4.49Å |
| 157 | S | 94.8 | Very high | 95.3 | Very high | 63 Ų | 63 | 31.3 Ų | 31.3 | 44% | 0.441 | 20% | 0.202 | S | C | . | . | trans | -147.7 | 152.4 | 176.8 | 63.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 158 | L | 95.4 | Very high | 95.2 | Very high | 3 Ų | 3 | 32.1 Ų | 32.1 | 2% | 0.016 | 21% | 0.206 | C | C | . | . | trans | -136.4 | 101.9 | 173.8 | -176.9 | 62 | 0 | 0 | 0 | 110 | L134 A162 L163 L174 L179 A183 L186 | L134-L158 HydrophobicContact CD1-CD1 3.79Å; L158-A162 HydrophobicContact CD1-CB 4.28Å; L158-L163 HydrophobicContact CD1-CD2 4.21Å; L158-L163 HydrophobicContact CD1-CG 4.29Å; L158-L163 HydrophobicContact CD2-CD1 4.25Å; L158-L163 HydrophobicContact CD2-CD2 4.4Å; L158-L163 HydrophobicContact CD2-CG 4.41Å; L158-L163 HydrophobicContact CG-CG 4.45Å; L158-L174 HydrophobicContact CD2-CD1 3.88Å; L158-L174 HydrophobicContact CD2-CD2 3.6Å; L158-L174 HydrophobicContact CD2-CG 4.41Å; L158-L179 HydrophobicContact CB-CD2 4.22Å; L158-A183 WeakPolarHBondContact O-CB 3.26Å; L158-L186 HydrophobicContact CB-CD2 4.48Å; L158-L186 HydrophobicContact CD2-CD1 4.4Å; L158-L186 HydrophobicContact CD2-CD2 4.06Å; L158-L186 HydrophobicContact CG-CD1 4.09Å; L158-L186 HydrophobicContact CG-CD2 4.22Å | ||
| 159 | E | 92.8 | Very high | 95.2 | Very high | 104 Ų | 104 | 32 Ų | 32 | 49% | 0.486 | 21% | 0.205 | S | C | . | . | trans | -81 | 147.1 | -178.2 | -71.9 | -59.4 | 143.9 | 0 | 0 | 112.3 | A161 A162 | E159-A161 PolarHBondContact O-N 3.29Å; E159-A161 VanDerWaalsContact O-N 3.12Å; E159-A162 WeakPolarHBondContact O-CB 3.45Å; E159-A162 PolarHBondContact O-N 3.32Å | ||
| 160 | P | 93 | Very high | 95.1 | Very high | 24 Ų | 24 | 37.3 Ų | 37.3 | 16% | 0.156 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.1 | -31.2 | 177.3 | -19.7 | 31.7 | 0 | 0 | 0 | 112.3 | A162 G164 A183 P184 L186 R189 | P160-A162 VanDerWaalsContact C-N 3.3Å; P160-A162 PolarHBondContact O-N 3.49Å; P160-G164 PolarHBondContact O-N 2.82Å; P160-A183 HydrophobicContact CG-CB 4.34Å; P160-P184 WeakPolarHBondContact CG-O 3.44Å; P160-L186 HydrophobicContact CG-CB 4.25Å; P160-R189 HydrophobicContact CB-CG 4.25Å |
| 161 | A | 92.6 | Very high | 95.1 | Very high | 55 Ų | 55 | 38.4 Ų | 38.4 | 46% | 0.455 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -65.4 | -31.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | P136 G137 E159 G164 | P136-A161 CarbonylContact C-O 3.25Å; P136-A161 WeakPolarHBondContact CA-O 3.26Å; P136-A161 HydrophobicContact CB-CB 4.04Å; P136-A161 HydrophobicContact CG-CB 4.45Å; G137-A161 PolarHBondContact N-O 2.91Å; E159-A161 PolarHBondContact O-N 3.29Å; E159-A161 VanDerWaalsContact O-N 3.12Å; A161-G164 PolarHBondContact O-N 2.99Å |
| 162 | A | 91.6 | Very high | 95.1 | Very high | 2 Ų | 2 | 38 Ų | 38 | 2% | 0.017 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -68.9 | -43.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L134 T138 L158 E159 P160 | L134-A162 HydrophobicContact CB-CB 3.91Å; T138-A162 PolarHBondContact N-O 3.29Å; L158-A162 HydrophobicContact CD1-CB 4.28Å; E159-A162 WeakPolarHBondContact O-CB 3.45Å; E159-A162 PolarHBondContact O-N 3.32Å; P160-A162 VanDerWaalsContact C-N 3.3Å; P160-A162 PolarHBondContact O-N 3.49Å |
| 163 | L | 90.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -70.8 | -36 | 173.3 | -63.5 | -172.6 | 0 | 0 | 0 | 112.1 | F139 L148 L158 L166 L172 L186 L190 | F139-L163 HydrophobicContact CD2-CD2 3.71Å; F139-L163 HydrophobicContact CE2-CD2 4.02Å; L148-L163 HydrophobicContact CD2-CD2 4.02Å; L158-L163 HydrophobicContact CD1-CD2 4.21Å; L158-L163 HydrophobicContact CD1-CG 4.29Å; L158-L163 HydrophobicContact CD2-CD1 4.25Å; L158-L163 HydrophobicContact CD2-CD2 4.4Å; L158-L163 HydrophobicContact CD2-CG 4.41Å; L158-L163 HydrophobicContact CG-CG 4.45Å; L163-L166 HydrophobicContact CB-CD1 4.27Å; L163-L166 HydrophobicContact CD2-CD1 4.5Å; L163-L172 HydrophobicContact CD1-CD2 4.32Å; L163-L186 HydrophobicContact CD1-CD1 3.51Å; L163-L186 HydrophobicContact CD1-CG 4.26Å; L163-L186 HydrophobicContact CG-CD1 4.03Å; L163-L190 HydrophobicContact CD1-CD1 3.96Å; L163-L190 HydrophobicContact CD1-CD2 4.28Å |
| 164 | G | 87.8 | Confident | 95 | Very high | 17 Ų | 17 | 36.9 Ų | 36.9 | 18% | 0.175 | 21% | 0.214 | C | C | . | . | trans | 68.3 | -149 | -169.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | P160 A161 | P160-G164 PolarHBondContact O-N 2.82Å; A161-G164 PolarHBondContact O-N 2.99Å | ||
| 165 | A | 87.5 | Confident | 94.9 | Very high | 44 Ų | 44 | 35.7 Ų | 35.7 | 36% | 0.364 | 21% | 0.213 | S | C | . | . | trans | -99.7 | 111.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110 | P167 | A165-P167 VanDerWaalsContact O-CD 3.28Å; A165-P167 WeakPolarHBondContact O-CD 3.32Å | ||
| 166 | L | 95.7 | Very high | 94.9 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | trans | -114 | 81 | 176.4 | -60.6 | 172.2 | 0 | 0 | 0 | 108.9 | F139 L142 L145 L163 L168 L169 L190 | F139-L166 HydrophobicContact CB-CD1 4.35Å; F139-L166 HydrophobicContact CB-CD2 4.33Å; L142-L166 HydrophobicContact CB-CD2 4.41Å; L145-L166 HydrophobicContact CD2-CD1 4.42Å; L145-L166 HydrophobicContact CD2-CD2 4.49Å; L163-L166 HydrophobicContact CB-CD1 4.27Å; L163-L166 HydrophobicContact CD2-CD1 4.5Å; L166-L168 PolarHBondContact O-N 2.94Å; L166-L169 HydrophobicContact CB-CB 3.85Å; L166-L169 HydrophobicContact CD1-CD2 4.04Å; L166-L169 PolarHBondContact O-N 3.28Å; L166-L190 HydrophobicContact CB-CD2 3.83Å; L166-L190 HydrophobicContact CD1-CD2 4.28Å; L166-L190 HydrophobicContact CG-CD2 4.47Å | ||
| 167 | P | 95 | Very high | 95 | Very high | 59 Ų | 59 | 36.9 Ų | 36.9 | 38% | 0.383 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -19.1 | -168.2 | 27.9 | -35.9 | 0 | 0 | 0 | 114 | A165 A192 | A165-P167 VanDerWaalsContact O-CD 3.28Å; A165-P167 WeakPolarHBondContact O-CD 3.32Å; P167-A192 VanDerWaalsContact O-CB 3.27Å; P167-A192 WeakPolarHBondContact O-CB 3.44Å |
| 168 | L | 97.7 | Very high | 95.1 | Very high | 86 Ų | 86 | 38.9 Ų | 38.9 | 45% | 0.45 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | 3.3 | -176.9 | -61.6 | 179.7 | 0 | 0 | 0 | 113.2 | L145 L166 R170 | L145-L168 CarbonylContact O-C 3.14Å; L166-L168 PolarHBondContact O-N 2.94Å; L168-R170 PolarHBondContact O-N 3.02Å |
| 169 | L | 98.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | trans | -69.4 | 118.2 | -177.8 | -167.2 | 77.8 | 0 | 0 | 0 | 109.6 | L145 L148 L166 L172 L190 A192 L193 | L145-L169 HydrophobicContact CB-CD1 4.42Å; L145-L169 HydrophobicContact CD2-CD1 3.96Å; L145-L169 HydrophobicContact CG-CD1 3.97Å; L145-L169 VanDerWaalsContact O-CA 3.28Å; L145-L169 WeakPolarHBondContact O-CA 3.29Å; L145-L169 PolarHBondContact O-N 3.05Å; L145-L169 VanDerWaalsContact O-N 3.11Å; L148-L169 HydrophobicContact CB-CD1 3.8Å; L166-L169 HydrophobicContact CB-CB 3.85Å; L166-L169 HydrophobicContact CD1-CD2 4.04Å; L166-L169 PolarHBondContact O-N 3.28Å; L169-L172 HydrophobicContact CD2-CB 4.13Å; L169-L190 HydrophobicContact CB-CD2 4.39Å; L169-L190 HydrophobicContact CD2-CD1 4.22Å; L169-L190 HydrophobicContact CD2-CD2 3.82Å; L169-A192 CarbonylContact O-C 3.1Å; L169-A192 VanDerWaalsContact O-O 3.08Å; L169-L193 HydrophobicContact CD2-CD1 4.25Å; L169-L193 HydrophobicContact CG-CD1 4.39Å; L169-L193 VanDerWaalsContact O-CA 3.25Å; L169-L193 WeakPolarHBondContact O-CA 3.36Å; L169-L193 PolarHBondContact O-N 3.47Å | ||
| 170 | R | 97.7 | Very high | 95.3 | Very high | 134 Ų | 134 | 35.3 Ų | 35.3 | 51% | 0.506 | 20% | 0.203 | S | C | . | . | trans | -102.8 | -32.1 | -179.7 | -65.9 | -170.4 | 178.7 | -177.6 | -5.4 | 113.1 | R146 L168 A192 D194 A195 | R146-R170 PolarHBondContact O-N 3.28Å; L168-R170 PolarHBondContact O-N 3.02Å; R170-A192 WeakPolarHBondContact CA-O 3.48Å; R170-D194 PolarHBondContact O-N 3.33Å; R170-A195 PolarHBondContact O-N 2.94Å | ||
| 171 | S | 97.9 | Very high | 95.3 | Very high | 23 Ų | 23 | 35.5 Ų | 35.5 | 16% | 0.161 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 126 | -177.5 | -170.6 | 0 | 0 | 0 | 0 | 110.9 | R146 N147 L148 A195 | R146-S171 PolarHBondContact O-N 3.39Å; N147-S171 WeakPolarHBondContact CA-O 3.2Å; N147-S171 WeakPolarHBondContact ND2-CB 3.39Å; L148-S171 PolarHBondContact N-O 2.95Å; S171-A195 WeakPolarHBondContact CA-O 3.43Å |
| 172 | L | 97.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 123.1 | 173.8 | 178.7 | 58.2 | 0 | 0 | 0 | 109.1 | L148 L163 L169 L174 L190 L193 A195 L196 H197 | L148-L172 HydrophobicContact CB-CD1 4.05Å; L148-L172 HydrophobicContact CD2-CD1 3.96Å; L148-L172 HydrophobicContact CG-CD1 3.95Å; L148-L172 WeakPolarHBondContact O-CA 3.15Å; L163-L172 HydrophobicContact CD1-CD2 4.32Å; L169-L172 HydrophobicContact CD2-CB 4.13Å; L172-L174 HydrophobicContact CD1-CD2 4.12Å; L172-L174 HydrophobicContact CD1-CG 4.33Å; L172-L174 HydrophobicContact CD2-CD1 4.05Å; L172-L174 HydrophobicContact CD2-CG 4.23Å; L172-L174 HydrophobicContact CG-CD1 4.34Å; L172-L174 HydrophobicContact CG-CD2 4.31Å; L172-L174 HydrophobicContact CG-CG 3.99Å; L172-L190 HydrophobicContact CD2-CD1 3.95Å; L172-L193 HydrophobicContact CB-CD1 3.76Å; L172-A195 PolarHBondContact N-O 3.09Å; L172-L196 HydrophobicContact CB-CD1 3.96Å; L172-L196 HydrophobicContact CD2-CD1 3.99Å; L172-L196 HydrophobicContact CG-CD1 4Å; L172-L196 WeakPolarHBondContact O-CA 2.96Å; L172-H197 PolarHBondContact O-N 2.89Å |
| 173 | S | 98.1 | Very high | 95.4 | Very high | 12 Ų | 12 | 33.8 Ų | 33.8 | 8% | 0.084 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 121.1 | 170.9 | -171.7 | 0 | 0 | 0 | 0 | 110.6 | L148 L150 A151 Q175 | L148-S173 PolarHBondContact O-N 3.03Å; L150-S173 CarbonylContact C-O 3.55Å; L150-S173 WeakPolarHBondContact CA-O 3.37Å; L150-S173 PolarHBondContact N-O 2.86Å; A151-S173 PolarHBondContact N-O 3.15Å; S173-Q175 WeakPolarHBondContact OG-CG 3.39Å; S173-Q175 PolarHBondContact OG-OE1 2.95Å |
| 174 | L | 97.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | trans | -121.2 | 13.4 | 175.2 | -60.4 | 173.1 | 0 | 0 | 0 | 111.2 | L150 L158 L172 N177 L179 L182 L196 H197 L198 N201 | L150-L174 HydrophobicContact CB-CD2 4.11Å; L150-L174 HydrophobicContact CD1-CD2 3.98Å; L158-L174 HydrophobicContact CD2-CD1 3.88Å; L158-L174 HydrophobicContact CD2-CD2 3.6Å; L158-L174 HydrophobicContact CD2-CG 4.41Å; L172-L174 HydrophobicContact CD1-CD2 4.12Å; L172-L174 HydrophobicContact CD1-CG 4.33Å; L172-L174 HydrophobicContact CD2-CD1 4.05Å; L172-L174 HydrophobicContact CD2-CG 4.23Å; L172-L174 HydrophobicContact CG-CD1 4.34Å; L172-L174 HydrophobicContact CG-CD2 4.31Å; L172-L174 HydrophobicContact CG-CG 3.99Å; L174-N177 PolarHBondContact O-ND2 3.4Å; L174-N177 VanDerWaalsContact O-ND2 3.15Å; L174-L179 HydrophobicContact CB-CD1 3.82Å; L174-L179 HydrophobicContact CD1-CD1 3.92Å; L174-L179 HydrophobicContact CD2-CD1 4.44Å; L174-L179 HydrophobicContact CG-CD1 4.27Å; L174-L182 HydrophobicContact CD1-CD2 3.86Å; L174-L196 HydrophobicContact CD1-CD1 4.37Å; L174-H197 CarbonylContact C-O 3.17Å; L174-H197 PolarHBondContact N-O 3.36Å; L174-L198 HydrophobicContact CB-CD2 4.19Å; L174-L198 HydrophobicContact CD1-CD2 4.12Å; L174-N201 PolarHBondContact O-ND2 2.69Å | ||
| 175 | Q | 96.7 | Very high | 95.3 | Very high | 66 Ų | 66 | 39.9 Ų | 39.9 | 31% | 0.308 | 24% | 0.236 | S | C | . | . | trans | -59.6 | 155.3 | -177.6 | 68.4 | -169.1 | 52.1 | 0 | 0 | 111.9 | A151 G152 S173 N177 H197 R199 | A151-Q175 CarbonylContact C-O 3.22Å; A151-Q175 VanDerWaalsContact CA-O 3.23Å; A151-Q175 WeakPolarHBondContact CA-O 3.39Å; A151-Q175 HydrophobicContact CB-CG 3.4Å; G152-Q175 PolarHBondContact N-O 2.96Å; S173-Q175 WeakPolarHBondContact OG-CG 3.39Å; S173-Q175 PolarHBondContact OG-OE1 2.95Å; Q175-N177 PolarHBondContact O-N 3.14Å; Q175-N177 PolarHBondContact O-ND2 2.96Å; Q175-H197 PolarHBondContact N-O 2.97Å; Q175-R199 CarbonylContact C-O 3.49Å; Q175-R199 WeakPolarHBondContact CA-O 3.17Å; Q175-R199 HydrophobicContact CB-CB 4.47Å; Q175-R199 WeakPolarHBondContact CB-O 3.49Å | ||
| 176 | D | 97.6 | Very high | 95.5 | Very high | 74 Ų | 74 | 37.9 Ų | 37.9 | 40% | 0.396 | 22% | 0.219 | S | C | . | . | S | Bend | trans | 51.8 | 54.5 | 174.5 | -50.4 | -51 | 0 | 0 | 0 | 111.4 | G152 N153 R199 G200 | G152-D176 WeakPolarHBondContact CA-O 3.28Å; G152-D176 PolarHBondContact N-O 2.81Å; N153-D176 PolarHBondContact N-O 3.42Å; D176-R199 PolarHBondContact N-O 3.24Å; D176-G200 WeakPolarHBondContact CA-O 3.43Å |
| 177 | N | 98.6 | Very high | 95.4 | Very high | 7 Ų | 7 | 38.9 Ų | 38.9 | 4% | 0.037 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -126.5 | -172 | 174.1 | -86.6 | -86.3 | 0 | 0 | 0 | 108.9 | L150 N153 R154 L155 L174 Q175 L179 N201 | L150-N177 PolarHBondContact O-ND2 3.29Å; N153-N177 WeakPolarHBondContact CA-OD1 3.15Å; N153-N177 WeakPolarHBondContact CB-OD1 3.4Å; N153-N177 PolarHBondContact O-OD1 3.14Å; R154-N177 PolarHBondContact N-OD1 3.14Å; L155-N177 HydrophobicContact CB-CB 4.38Å; L155-N177 VanDerWaalsContact CB-OD1 3.28Å; L155-N177 WeakPolarHBondContact CB-OD1 3.35Å; L155-N177 WeakPolarHBondContact CG-OD1 3.11Å; L155-N177 PolarHBondContact N-OD1 3.41Å; L174-N177 PolarHBondContact O-ND2 3.4Å; L174-N177 VanDerWaalsContact O-ND2 3.15Å; Q175-N177 PolarHBondContact O-N 3.14Å; Q175-N177 PolarHBondContact O-ND2 2.96Å; N177-L179 HydrophobicContact CB-CD1 4.46Å; N177-L179 HydrophobicContact CB-CG 4.22Å; N177-N201 WeakPolarHBondContact CA-OD1 3Å; N177-N201 WeakPolarHBondContact CB-OD1 3.49Å; N177-N201 PolarHBondContact N-OD1 3.43Å; N177-N201 PolarHBondContact O-OD1 3.43Å; N177-N201 VanDerWaalsContact O-OD1 3.12Å |
| 178 | E | 97.8 | Very high | 95.1 | Very high | 105 Ų | 105 | 39.2 Ų | 39.2 | 49% | 0.491 | 24% | 0.238 | S | C | . | . | trans | -106 | 25.5 | -178.9 | -61.5 | 179.2 | -165.5 | 0 | 0 | 111.5 | L155 A156 A180 | L155-E178 CarbonylContact O-C 3.56Å; L155-E178 WeakPolarHBondContact O-CA 3.49Å; L155-E178 PolarHBondContact O-N 3.35Å; A156-E178 HydrophobicContact CB-CB 4.49Å; E178-A180 PolarHBondContact O-N 3.06Å | ||
| 179 | L | 96.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | trans | -72.7 | 116.4 | -174.4 | -62.9 | 169 | 0 | 0 | 0 | 111.3 | L155 L158 L174 N177 L182 N201 P202 W203 | L155-L179 HydrophobicContact CB-CD2 4.31Å; L155-L179 WeakPolarHBondContact O-CD2 3.21Å; L155-L179 WeakPolarHBondContact O-CG 3.29Å; L155-L179 PolarHBondContact O-N 3.15Å; L158-L179 HydrophobicContact CB-CD2 4.22Å; L174-L179 HydrophobicContact CB-CD1 3.82Å; L174-L179 HydrophobicContact CD1-CD1 3.92Å; L174-L179 HydrophobicContact CD2-CD1 4.44Å; L174-L179 HydrophobicContact CG-CD1 4.27Å; N177-L179 HydrophobicContact CB-CD1 4.46Å; N177-L179 HydrophobicContact CB-CG 4.22Å; L179-L182 HydrophobicContact CD1-CD2 4.19Å; L179-N201 HydrophobicContact CB-CB 4.29Å; L179-N201 VanDerWaalsContact CB-OD1 3.24Å; L179-N201 WeakPolarHBondContact CB-OD1 3.27Å; L179-N201 PolarHBondContact N-OD1 3.11Å; L179-N201 WeakPolarHBondContact O-CB 3.04Å; L179-P202 WeakPolarHBondContact O-CD 3.32Å; L179-W203 HydrophobicContact CB-CH2 3.97Å; L179-W203 HydrophobicContact CB-CZ3 4.23Å; L179-W203 HydrophobicContact CD1-CH2 4.42Å | ||
| 180 | A | 94.4 | Very high | 94.5 | Very high | 33 Ų | 33 | 42.5 Ų | 42.5 | 27% | 0.273 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -81.9 | -34.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | E178 G204 W233 | E178-A180 PolarHBondContact O-N 3.06Å; A180-G204 PolarHBondContact O-N 3.25Å; A180-W233 HydrophobicContact CB-CH2 3.29Å; A180-W233 HydrophobicContact CB-CZ2 4.48Å; A180-W233 HydrophobicContact CB-CZ3 3.6Å; A180-W233 WeakPolarHBondContact O-CH2 3.49Å |
| 181 | A | 93.3 | Very high | 94.3 | Very high | 27 Ų | 27 | 41.1 Ų | 41.1 | 22% | 0.223 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -158.1 | 162 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | A208 | A181-A208 HydrophobicContact CB-CB 3.78Š|
| 182 | L | 93.9 | Very high | 94.2 | Very high | 8 Ų | 8 | 41.5 Ų | 41.5 | 4% | 0.042 | 26% | 0.258 | C | S | . | . | P | Polyproline II helix | trans | -89 | 135.2 | 167.5 | -63 | -176.1 | 0 | 0 | 0 | 109.7 | L174 L179 L186 L187 L196 L198 W203 L212 | L174-L182 HydrophobicContact CD1-CD2 3.86Å; L179-L182 HydrophobicContact CD1-CD2 4.19Å; L182-L186 HydrophobicContact CB-CD2 4.13Å; L182-L186 HydrophobicContact CD1-CD2 4.44Å; L182-L186 HydrophobicContact CD2-CD2 3.91Å; L182-L186 HydrophobicContact CG-CD2 4.38Å; L182-L187 HydrophobicContact CD1-CD1 4.23Å; L182-L187 HydrophobicContact CD1-CD2 4.19Å; L182-L187 HydrophobicContact CD1-CG 4.33Å; L182-L196 HydrophobicContact CD1-CD2 4.3Å; L182-L198 HydrophobicContact CD1-CD2 4.38Å; L182-W203 HydrophobicContact CD2-CH2 3.89Å; L182-W203 HydrophobicContact CD2-CZ3 4.25Å; L182-W203 HydrophobicContact CG-CH2 3.99Å; L182-W203 HydrophobicContact CG-CZ3 4.04Å; L182-L212 HydrophobicContact CD1-CD1 3.98Å; L182-L212 HydrophobicContact CD1-CD2 4.29Å; L182-L212 HydrophobicContact CD1-CG 4.49Å; L182-L212 HydrophobicContact CG-CD2 4.47Å |
| 183 | A | 92.3 | Very high | 94.2 | Very high | 13 Ų | 13 | 41.7 Ų | 41.7 | 11% | 0.107 | 26% | 0.259 | C | S | . | . | P | Polyproline II helix | trans | -60 | 141.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L158 P160 G185 L186 | L158-A183 WeakPolarHBondContact O-CB 3.26Å; P160-A183 HydrophobicContact CG-CB 4.34Å; A183-G185 PolarHBondContact O-N 3.06Å; A183-L186 WeakPolarHBondContact O-CB 3.23Å; A183-L186 PolarHBondContact O-N 3.27Å; A183-L186 VanDerWaalsContact O-N 3.12Å |
| 184 | P | 87.2 | Confident | 93.9 | Very high | 101 Ų | 101 | 45.9 Ų | 45.9 | 66% | 0.656 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | 133.4 | 176.2 | -24.9 | 33.8 | 0 | 0 | 0 | 111.8 | P160 L186 | P160-P184 WeakPolarHBondContact CG-O 3.44Å; P184-L186 VanDerWaalsContact C-N 3.26Å; P184-L186 PolarHBondContact O-N 3.47Å |
| 185 | G | 88.6 | Confident | 93.8 | Very high | 45 Ų | 45 | 47.5 Ų | 47.5 | 46% | 0.464 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.6 | -3.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | A183 G188 R189 | A183-G185 PolarHBondContact O-N 3.06Å; G185-G188 PolarHBondContact O-N 2.88Å; G185-G188 VanDerWaalsContact O-N 3.14Å; G185-R189 PolarHBondContact O-N 3.02Å |
| 186 | L | 93.3 | Very high | 93.7 | Very high | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.01 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -55.4 | 175.3 | -178.9 | 72.4 | 0 | 0 | 0 | 110.9 | L158 P160 L163 L182 A183 P184 G188 R189 | L158-L186 HydrophobicContact CB-CD2 4.48Å; L158-L186 HydrophobicContact CD2-CD1 4.4Å; L158-L186 HydrophobicContact CD2-CD2 4.06Å; L158-L186 HydrophobicContact CG-CD1 4.09Å; L158-L186 HydrophobicContact CG-CD2 4.22Å; P160-L186 HydrophobicContact CG-CB 4.25Å; L163-L186 HydrophobicContact CD1-CD1 3.51Å; L163-L186 HydrophobicContact CD1-CG 4.26Å; L163-L186 HydrophobicContact CG-CD1 4.03Å; L182-L186 HydrophobicContact CB-CD2 4.13Å; L182-L186 HydrophobicContact CD1-CD2 4.44Å; L182-L186 HydrophobicContact CD2-CD2 3.91Å; L182-L186 HydrophobicContact CG-CD2 4.38Å; A183-L186 WeakPolarHBondContact O-CB 3.23Å; A183-L186 PolarHBondContact O-N 3.27Å; A183-L186 VanDerWaalsContact O-N 3.12Å; P184-L186 VanDerWaalsContact C-N 3.26Å; P184-L186 PolarHBondContact O-N 3.47Å; L186-G188 PolarHBondContact O-N 3.46Å; L186-R189 PolarHBondContact O-N 3.43Å; L186-R189 VanDerWaalsContact O-N 3.1Å |
| 187 | L | 92.3 | Very high | 93.6 | Very high | 22 Ų | 22 | 43.3 Ų | 43.3 | 12% | 0.115 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -66.2 | -25.3 | 178.7 | -58.6 | 176.7 | 0 | 0 | 0 | 112.3 | L182 R189 L190 L193 L196 L212 W215 | L182-L187 HydrophobicContact CD1-CD1 4.23Å; L182-L187 HydrophobicContact CD1-CD2 4.19Å; L182-L187 HydrophobicContact CD1-CG 4.33Å; L187-R189 PolarHBondContact O-N 3.39Å; L187-L190 PolarHBondContact O-N 3Å; L187-L193 HydrophobicContact CD2-CD2 4.04Å; L187-L196 HydrophobicContact CD2-CD2 3.81Å; L187-L212 HydrophobicContact CD1-CD1 4.38Å; L187-W215 HydrophobicContact CD1-CB 3.61Å; L187-W215 HydrophobicContact CD1-CD2 4.41Å; L187-W215 HydrophobicContact CD1-CG 3.73Å |
| 188 | G | 88.9 | Confident | 93.4 | Very high | 66 Ų | 66 | 43.1 Ų | 43.1 | 68% | 0.68 | 27% | 0.271 | S | S | * | . | G | 310 helix | trans | -68.4 | -17.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | G185 L186 | G185-G188 PolarHBondContact O-N 2.88Å; G185-G188 VanDerWaalsContact O-N 3.14Å; L186-G188 PolarHBondContact O-N 3.46Å |
| 189 | R | 90.3 | Very high | 93.3 | Very high | 150 Ų | 150 | 45 Ų | 45 | 57% | 0.566 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | -90 | -1.5 | 175.1 | -64 | -64.7 | -173.8 | 176 | 0.6 | 113.7 | P160 G185 L186 L187 P191 | P160-R189 HydrophobicContact CB-CG 4.25Å; G185-R189 PolarHBondContact O-N 3.02Å; L186-R189 PolarHBondContact O-N 3.43Å; L186-R189 VanDerWaalsContact O-N 3.1Å; L187-R189 PolarHBondContact O-N 3.39Å; R189-P191 VanDerWaalsContact C-CD 3.46Å; R189-P191 VanDerWaalsContact O-CD 3.31Å; R189-P191 WeakPolarHBondContact O-CD 3.43Å |
| 190 | L | 94.4 | Very high | 93.2 | Very high | 5 Ų | 5 | 47.1 Ų | 47.1 | 3% | 0.026 | 29% | 0.294 | C | S | . | . | trans | -121.3 | 68.9 | -175.6 | -54 | 176.5 | 0 | 0 | 0 | 109.9 | L163 L166 L169 L172 L187 A192 L193 | L163-L190 HydrophobicContact CD1-CD1 3.96Å; L163-L190 HydrophobicContact CD1-CD2 4.28Å; L166-L190 HydrophobicContact CB-CD2 3.83Å; L166-L190 HydrophobicContact CD1-CD2 4.28Å; L166-L190 HydrophobicContact CG-CD2 4.47Å; L169-L190 HydrophobicContact CB-CD2 4.39Å; L169-L190 HydrophobicContact CD2-CD1 4.22Å; L169-L190 HydrophobicContact CD2-CD2 3.82Å; L172-L190 HydrophobicContact CD2-CD1 3.95Å; L187-L190 PolarHBondContact O-N 3Å; L190-A192 PolarHBondContact O-N 3.09Å; L190-L193 HydrophobicContact CB-CB 3.93Å; L190-L193 HydrophobicContact CB-CD2 4.38Å; L190-L193 HydrophobicContact CD1-CD2 4.04Å; L190-L193 WeakPolarHBondContact O-CB 3.43Å; L190-L193 PolarHBondContact O-N 2.9Å | ||
| 191 | P | 93.3 | Very high | 93.3 | Very high | 105 Ų | 105 | 46 Ų | 46 | 68% | 0.682 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -19.7 | -169.3 | 28.6 | -36.8 | 0 | 0 | 0 | 114.4 | R189 | R189-P191 VanDerWaalsContact C-CD 3.46Å; R189-P191 VanDerWaalsContact O-CD 3.31Å; R189-P191 WeakPolarHBondContact O-CD 3.43Å |
| 192 | A | 95.9 | Very high | 93.4 | Very high | 31 Ų | 31 | 47 Ų | 47 | 26% | 0.256 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | 14.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | P167 L169 R170 L190 D194 | P167-A192 VanDerWaalsContact O-CB 3.27Å; P167-A192 WeakPolarHBondContact O-CB 3.44Å; L169-A192 CarbonylContact O-C 3.1Å; L169-A192 VanDerWaalsContact O-O 3.08Å; R170-A192 WeakPolarHBondContact CA-O 3.48Å; L190-A192 PolarHBondContact O-N 3.09Å; A192-D194 PolarHBondContact O-N 2.95Å |
| 193 | L | 96.1 | Very high | 93.5 | Very high | 4 Ų | 4 | 46.7 Ų | 46.7 | 2% | 0.021 | 29% | 0.287 | C | S | . | . | trans | -75.2 | 116.5 | -175.9 | -171.7 | 74.7 | 0 | 0 | 0 | 110.8 | L169 L172 L187 L190 L196 W215 | L169-L193 HydrophobicContact CD2-CD1 4.25Å; L169-L193 HydrophobicContact CG-CD1 4.39Å; L169-L193 VanDerWaalsContact O-CA 3.25Å; L169-L193 WeakPolarHBondContact O-CA 3.36Å; L169-L193 PolarHBondContact O-N 3.47Å; L172-L193 HydrophobicContact CB-CD1 3.76Å; L187-L193 HydrophobicContact CD2-CD2 4.04Å; L190-L193 HydrophobicContact CB-CB 3.93Å; L190-L193 HydrophobicContact CB-CD2 4.38Å; L190-L193 HydrophobicContact CD1-CD2 4.04Å; L190-L193 WeakPolarHBondContact O-CB 3.43Å; L190-L193 PolarHBondContact O-N 2.9Å; L193-L196 HydrophobicContact CD2-CB 4.31Å; L193-L196 HydrophobicContact CD2-CD1 4.33Å; L193-W215 HydrophobicContact CD2-CZ2 3.98Å; L193-W215 HydrophobicContact CG-CZ2 4.14Å | ||
| 194 | D | 93.7 | Very high | 93.5 | Very high | 100 Ų | 100 | 46.2 Ų | 46.2 | 54% | 0.535 | 28% | 0.282 | S | S | . | . | trans | -102.1 | -35.4 | -178.4 | -60 | -41.2 | 0 | 0 | 0 | 111.9 | R170 A192 | R170-D194 PolarHBondContact O-N 3.33Å; A192-D194 PolarHBondContact O-N 2.95Å | ||
| 195 | A | 94.4 | Very high | 93.7 | Very high | 33 Ų | 33 | 41.8 Ų | 41.8 | 27% | 0.273 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 127.8 | -174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | R170 S171 L172 | R170-A195 PolarHBondContact O-N 2.94Å; S171-A195 WeakPolarHBondContact CA-O 3.43Å; L172-A195 PolarHBondContact N-O 3.09Å |
| 196 | L | 95.2 | Very high | 93.7 | Very high | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 113.3 | -179.2 | -177 | 61 | 0 | 0 | 0 | 110.3 | L172 L174 L182 L187 L193 L198 L212 W215 | L172-L196 HydrophobicContact CB-CD1 3.96Å; L172-L196 HydrophobicContact CD2-CD1 3.99Å; L172-L196 HydrophobicContact CG-CD1 4Å; L172-L196 WeakPolarHBondContact O-CA 2.96Å; L174-L196 HydrophobicContact CD1-CD1 4.37Å; L182-L196 HydrophobicContact CD1-CD2 4.3Å; L187-L196 HydrophobicContact CD2-CD2 3.81Å; L193-L196 HydrophobicContact CD2-CB 4.31Å; L193-L196 HydrophobicContact CD2-CD1 4.33Å; L196-L198 HydrophobicContact CD1-CD2 3.96Å; L196-L198 HydrophobicContact CD1-CG 4.42Å; L196-L198 HydrophobicContact CD2-CD1 3.8Å; L196-L198 HydrophobicContact CD2-CD2 4.15Å; L196-L198 HydrophobicContact CD2-CG 4.17Å; L196-L198 HydrophobicContact CG-CD1 3.96Å; L196-L198 HydrophobicContact CG-CD2 3.84Å; L196-L198 HydrophobicContact CG-CG 3.79Å; L196-L212 HydrophobicContact CD2-CD1 4.14Å; L196-W215 HydrophobicContact CB-CE3 4.45Å; L196-W215 HydrophobicContact CB-CH2 3.46Å; L196-W215 VanDerWaalsContact CB-CH2 3.46Å; L196-W215 HydrophobicContact CB-CZ2 4.14Å; L196-W215 HydrophobicContact CB-CZ3 3.63Å; L196-W215 HydrophobicContact CD2-CD2 4.44Å; L196-W215 HydrophobicContact CD2-CE3 4.05Å; L196-W215 HydrophobicContact CD2-CH2 4.42Å; L196-W215 HydrophobicContact CD2-CZ3 4.05Å; L196-W215 HydrophobicContact CG-CZ3 4.46Å |
| 197 | H | 95.3 | Very high | 93.4 | Very high | 51 Ų | 51 | 44.4 Ų | 44.4 | 24% | 0.236 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 122.6 | -179 | -47.5 | 87.8 | 0 | 0 | 0 | 109.9 | L172 L174 Q175 | L172-H197 PolarHBondContact O-N 2.89Å; L174-H197 CarbonylContact C-O 3.17Å; L174-H197 PolarHBondContact N-O 3.36Å; Q175-H197 PolarHBondContact N-O 2.97Å |
| 198 | L | 95.3 | Very high | 93.2 | Very high | 3 Ų | 3 | 45.7 Ų | 45.7 | 2% | 0.016 | 28% | 0.284 | C | S | . | . | trans | -131.3 | -0.3 | -166.5 | -66.2 | 176.5 | 0 | 0 | 0 | 114.3 | L174 L182 L196 N201 W203 L212 L229 | L174-L198 HydrophobicContact CB-CD2 4.19Å; L174-L198 HydrophobicContact CD1-CD2 4.12Å; L182-L198 HydrophobicContact CD1-CD2 4.38Å; L196-L198 HydrophobicContact CD1-CD2 3.96Å; L196-L198 HydrophobicContact CD1-CG 4.42Å; L196-L198 HydrophobicContact CD2-CD1 3.8Å; L196-L198 HydrophobicContact CD2-CD2 4.15Å; L196-L198 HydrophobicContact CD2-CG 4.17Å; L196-L198 HydrophobicContact CG-CD1 3.96Å; L196-L198 HydrophobicContact CG-CD2 3.84Å; L196-L198 HydrophobicContact CG-CG 3.79Å; L198-N201 PolarHBondContact O-ND2 3.13Å; L198-W203 HydrophobicContact CB-CZ2 3.64Å; L198-W203 HydrophobicContact CD1-CZ2 4.27Å; L198-W203 HydrophobicContact CD2-CH2 3.89Å; L198-W203 HydrophobicContact CD2-CZ2 3.69Å; L198-W203 HydrophobicContact CG-CZ2 4.05Å; L198-W203 PolarHBondContact O-NE1 3.5Å; L198-L212 HydrophobicContact CD1-CD1 3.44Å; L198-L212 VanDerWaalsContact CD1-CD1 3.44Å; L198-L212 HydrophobicContact CD1-CD2 3.83Å; L198-L212 HydrophobicContact CD1-CG 4.25Å; L198-L229 HydrophobicContact CB-CD2 3.64Å | ||
| 199 | R | 94.3 | Very high | 93.2 | Very high | 145 Ų | 145 | 42.6 Ų | 42.6 | 55% | 0.547 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | 151.3 | -178.9 | 174.1 | 177.7 | 165.9 | 143.7 | 2.2 | 111.2 | Q175 D176 N201 | Q175-R199 CarbonylContact C-O 3.49Å; Q175-R199 WeakPolarHBondContact CA-O 3.17Å; Q175-R199 HydrophobicContact CB-CB 4.47Å; Q175-R199 WeakPolarHBondContact CB-O 3.49Å; D176-R199 PolarHBondContact N-O 3.24Å; R199-N201 VanDerWaalsContact C-N 3.31Å; R199-N201 PolarHBondContact O-N 3.04Å; R199-N201 PolarHBondContact O-ND2 3.32Å |
| 200 | G | 94.7 | Very high | 93.1 | Very high | 43 Ų | 43 | 41 Ų | 41 | 44% | 0.443 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.6 | 24.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114 | D176 | D176-G200 WeakPolarHBondContact CA-O 3.43Š|
| 201 | N | 96.8 | Very high | 92.9 | Very high | 10 Ų | 10 | 43.3 Ų | 43.3 | 5% | 0.053 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -111.6 | 146.5 | 171.6 | -77 | -83.6 | 0 | 0 | 0 | 110 | L174 N177 L179 L198 R199 W203 | L174-N201 PolarHBondContact O-ND2 2.69Å; N177-N201 WeakPolarHBondContact CA-OD1 3Å; N177-N201 WeakPolarHBondContact CB-OD1 3.49Å; N177-N201 PolarHBondContact N-OD1 3.43Å; N177-N201 PolarHBondContact O-OD1 3.43Å; N177-N201 VanDerWaalsContact O-OD1 3.12Å; L179-N201 HydrophobicContact CB-CB 4.29Å; L179-N201 VanDerWaalsContact CB-OD1 3.24Å; L179-N201 WeakPolarHBondContact CB-OD1 3.27Å; L179-N201 PolarHBondContact N-OD1 3.11Å; L179-N201 WeakPolarHBondContact O-CB 3.04Å; L198-N201 PolarHBondContact O-ND2 3.13Å; R199-N201 VanDerWaalsContact C-N 3.31Å; R199-N201 PolarHBondContact O-N 3.04Å; R199-N201 PolarHBondContact O-ND2 3.32Å; N201-W203 VanDerWaalsContact C-N 3.25Å; N201-W203 HydrophobicContact CB-CD2 4.2Å; N201-W203 HydrophobicContact CB-CH2 4.39Å; N201-W203 HydrophobicContact CB-CZ2 3.61Å; N201-W203 PolarHBondContact O-N 3.39Å |
| 202 | P | 95.6 | Very high | 92.8 | Very high | 48 Ų | 48 | 38.4 Ų | 38.4 | 31% | 0.312 | 23% | 0.229 | S | C | . | . | trans | -77.8 | 69.6 | -179.2 | 33.4 | -36.6 | 0 | 0 | 0 | 111 | L179 G204 V232 W233 | L179-P202 WeakPolarHBondContact O-CD 3.32Å; P202-G204 PolarHBondContact O-N 3.01Å; P202-V232 HydrophobicContact CB-CB 4.49Å; P202-V232 HydrophobicContact CB-CG2 4.33Å; P202-W233 WeakPolarHBondContact O-CZ3 3.3Å | ||
| 203 | W | 94.9 | Very high | 92.6 | Very high | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.008 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 132.7 | -171.3 | -65.6 | 109.4 | 0 | 0 | 0 | 114.4 | L179 L182 L198 N201 L209 L212 V232 W233 L242 | L179-W203 HydrophobicContact CB-CH2 3.97Å; L179-W203 HydrophobicContact CB-CZ3 4.23Å; L179-W203 HydrophobicContact CD1-CH2 4.42Å; L182-W203 HydrophobicContact CD2-CH2 3.89Å; L182-W203 HydrophobicContact CD2-CZ3 4.25Å; L182-W203 HydrophobicContact CG-CH2 3.99Å; L182-W203 HydrophobicContact CG-CZ3 4.04Å; L198-W203 HydrophobicContact CB-CZ2 3.64Å; L198-W203 HydrophobicContact CD1-CZ2 4.27Å; L198-W203 HydrophobicContact CD2-CH2 3.89Å; L198-W203 HydrophobicContact CD2-CZ2 3.69Å; L198-W203 HydrophobicContact CG-CZ2 4.05Å; L198-W203 PolarHBondContact O-NE1 3.5Å; N201-W203 VanDerWaalsContact C-N 3.25Å; N201-W203 HydrophobicContact CB-CD2 4.2Å; N201-W203 HydrophobicContact CB-CH2 4.39Å; N201-W203 HydrophobicContact CB-CZ2 3.61Å; N201-W203 PolarHBondContact O-N 3.39Å; W203-L209 HydrophobicContact CE3-CD1 4.43Å; W203-L212 HydrophobicContact CE3-CD2 4.25Å; W203-L212 HydrophobicContact CH2-CD2 4.35Å; W203-L212 HydrophobicContact CZ3-CD2 4.1Å; W203-V232 PolarHBondContact O-N 3.27Å; W203-W233 PolarHBondContact O-N 2.78Å; W203-L242 HydrophobicContact CB-CD1 3.92Å; W203-L242 HydrophobicContact CB-CD2 4.24Å; W203-L242 HydrophobicContact CD2-CD2 4.06Å; W203-L242 HydrophobicContact CG-CD1 4.14Å; W203-L242 HydrophobicContact CG-CD2 3.78Å |
| 204 | G | 93.8 | Very high | 92.3 | Very high | 2 Ų | 2 | 38.3 Ų | 38.3 | 2% | 0.021 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 113.8 | 173 | 0 | 0 | 0 | 0 | 0 | 113 | A180 P202 G206 W233 | A180-G204 PolarHBondContact O-N 3.25Å; P202-G204 PolarHBondContact O-N 3.01Å; G204-G206 PolarHBondContact O-N 3.49Å; G204-W233 VanDerWaalsContact CA-CD2 3.45Å; G204-W233 VanDerWaalsContact CA-CE2 3.48Å |
| 205 | C | 90.9 | Very high | 92.2 | Very high | 8 Ų | 8 | 34.9 Ų | 34.9 | 5% | 0.054 | 21% | 0.208 | C | C | . | . | trans | -90.5 | 57.6 | -176.3 | -63.8 | 0 | 0 | 0 | 0 | 112 | L209 C231 W233 L237 F245 | C205-L209 HydrophobicContact CB-CD2 4.04Å; C205-L209 VanDerWaalsContact SG-CD2 3.55Å; C205-C231 HydrophobicContact CB-CB 3.76Å; C205-C231 WeakPolarHBondContact CB-SG 3.25Å; C205-C231 VanDerWaalsContact SG-CA 3.5Å; C205-C231 WeakPolarHBondContact SG-CB 3.31Å; C205-C231 CovalentContact SG-SG 1.98Å; C205-C231 PolarHBondContact SG-SG 3.25Å; C205-W233 PolarHBondContact N-O 2.88Å; C205-L237 HydrophobicContact CB-CB 4.46Å; C205-L237 HydrophobicContact CB-CD1 4.17Å; C205-L237 WeakPolarHBondContact O-CD1 3.49Å; C205-F245 HydrophobicContact CB-CE2 4.08Å; C205-F245 HydrophobicContact CB-CZ 3.78Å | ||
| 206 | G | 88.1 | Confident | 92 | Very high | 33 Ų | 33 | 33.6 Ų | 33.6 | 34% | 0.34 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -112.6 | -162.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | G204 A208 L209 F250 | G204-G206 PolarHBondContact O-N 3.49Å; G206-A208 VanDerWaalsContact C-N 3.26Å; G206-A208 PolarHBondContact O-N 3.25Å; G206-L209 VanDerWaalsContact O-CB 3.3Å; G206-L209 WeakPolarHBondContact O-CB 3.39Å; G206-L209 PolarHBondContact O-N 3.35Å; G206-F250 WeakPolarHBondContact O-CE1 3.46Å |
| 207 | C | 87.1 | Confident | 91.7 | Very high | 69 Ų | 69 | 38.3 Ų | 38.3 | 47% | 0.466 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -58.4 | -32.4 | -174.9 | -61.7 | 0 | 0 | 0 | 0 | 115.2 | L209 R210 C253 | C207-L209 PolarHBondContact O-N 3.36Å; C207-R210 WeakPolarHBondContact O-CB 3.43Å; C207-R210 PolarHBondContact O-N 2.86Å; C207-C253 WeakPolarHBondContact CA-SG 2.98Å; C207-C253 HydrophobicContact CB-CB 3.43Å; C207-C253 VanDerWaalsContact CB-CB 3.43Å; C207-C253 WeakPolarHBondContact CB-SG 3.32Å; C207-C253 WeakPolarHBondContact SG-CA 3.34Å; C207-C253 WeakPolarHBondContact SG-CB 3.03Å; C207-C253 CovalentContact SG-SG 2.02Å; C207-C253 PolarHBondContact SG-SG 3.13Å |
| 208 | A | 87.4 | Confident | 91.5 | Very high | 50 Ų | 50 | 45.5 Ų | 45.5 | 41% | 0.413 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -64.6 | -19.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | A181 G206 R210 P211 | A181-A208 HydrophobicContact CB-CB 3.78Å; G206-A208 VanDerWaalsContact C-N 3.26Å; G206-A208 PolarHBondContact O-N 3.25Å; A208-R210 VanDerWaalsContact C-N 3.33Å; A208-P211 VanDerWaalsContact O-CD 3.26Å; A208-P211 WeakPolarHBondContact O-CD 3.24Å |
| 209 | L | 89.9 | Confident | 91.3 | Very high | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -77 | -19.5 | -179.4 | -163.7 | 72.4 | 0 | 0 | 0 | 113.1 | W203 C205 G206 C207 P211 L212 C213 L242 F245 F250 | W203-L209 HydrophobicContact CE3-CD1 4.43Å; C205-L209 HydrophobicContact CB-CD2 4.04Å; C205-L209 VanDerWaalsContact SG-CD2 3.55Å; G206-L209 VanDerWaalsContact O-CB 3.3Å; G206-L209 WeakPolarHBondContact O-CB 3.39Å; G206-L209 PolarHBondContact O-N 3.35Å; C207-L209 PolarHBondContact O-N 3.36Å; L209-P211 VanDerWaalsContact C-CD 3.45Å; L209-L212 HydrophobicContact CD1-CB 4.4Å; L209-L212 HydrophobicContact CD1-CD2 3.84Å; L209-L212 HydrophobicContact CD1-CG 4.49Å; L209-L212 WeakPolarHBondContact O-CA 3.13Å; L209-L212 WeakPolarHBondContact O-CB 3.34Å; L209-L212 PolarHBondContact O-N 2.95Å; L209-C213 PolarHBondContact O-N 3.12Å; L209-L242 HydrophobicContact CD1-CD2 4.08Å; L209-L242 HydrophobicContact CD1-CG 4.27Å; L209-L242 HydrophobicContact CD2-CG 4.08Å; L209-F245 HydrophobicContact CD2-CD2 4.41Å; L209-F250 HydrophobicContact CB-CE1 4.26Å; L209-F250 HydrophobicContact CB-CZ 4.44Å |
| 210 | R | 89.1 | Confident | 90.8 | Very high | 115 Ų | 115 | 46.9 Ų | 46.9 | 43% | 0.434 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -49.7 | -47.2 | -174 | -176.5 | -176.8 | -179.4 | -174.1 | -0.4 | 114.1 | C207 A208 L212 C213 A214 F250 | C207-R210 WeakPolarHBondContact O-CB 3.43Å; C207-R210 PolarHBondContact O-N 2.86Å; A208-R210 VanDerWaalsContact C-N 3.33Å; R210-L212 VanDerWaalsContact C-N 3.29Å; R210-L212 PolarHBondContact O-N 2.9Å; R210-C213 PolarHBondContact O-N 3.17Å; R210-A214 WeakPolarHBondContact O-CB 3.5Å; R210-A214 PolarHBondContact O-N 2.96Å; R210-F250 HydrophobicContact CB-CB 4.28Å; R210-F250 HydrophobicContact CB-CD1 3.89Å; R210-F250 HydrophobicContact CB-CD2 4.12Å; R210-F250 HydrophobicContact CB-CE1 4.23Å; R210-F250 HydrophobicContact CB-CE2 4.44Å; R210-F250 HydrophobicContact CB-CG 3.83Å; R210-F250 HydrophobicContact CB-CZ 4.49Å; R210-F250 HydrophobicContact CG-CB 4.1Å; R210-F250 HydrophobicContact CG-CD2 3.99Å; R210-F250 HydrophobicContact CG-CG 3.95Å |
| 211 | P | 89.3 | Confident | 90.3 | Very high | 55 Ų | 55 | 46.7 Ų | 46.7 | 36% | 0.357 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -62.7 | -36.2 | 179.1 | -20.3 | 34.2 | 0 | 0 | 0 | 112.6 | A208 L209 W215 | A208-P211 VanDerWaalsContact O-CD 3.26Å; A208-P211 WeakPolarHBondContact O-CD 3.24Å; L209-P211 VanDerWaalsContact C-CD 3.45Å; P211-W215 PolarHBondContact O-N 2.81Å; P211-W215 VanDerWaalsContact O-N 3.09Å |
| 212 | L | 91.9 | Very high | 89.8 | Confident | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -69.9 | -47.3 | 178.2 | 174.3 | 57.1 | 0 | 0 | 0 | 111.2 | L182 L187 L196 L198 W203 L209 R210 A214 W215 L216 L242 | L182-L212 HydrophobicContact CD1-CD1 3.98Å; L182-L212 HydrophobicContact CD1-CD2 4.29Å; L182-L212 HydrophobicContact CD1-CG 4.49Å; L182-L212 HydrophobicContact CG-CD2 4.47Å; L187-L212 HydrophobicContact CD1-CD1 4.38Å; L196-L212 HydrophobicContact CD2-CD1 4.14Å; L198-L212 HydrophobicContact CD1-CD1 3.44Å; L198-L212 VanDerWaalsContact CD1-CD1 3.44Å; L198-L212 HydrophobicContact CD1-CD2 3.83Å; L198-L212 HydrophobicContact CD1-CG 4.25Å; W203-L212 HydrophobicContact CE3-CD2 4.25Å; W203-L212 HydrophobicContact CH2-CD2 4.35Å; W203-L212 HydrophobicContact CZ3-CD2 4.1Å; L209-L212 HydrophobicContact CD1-CB 4.4Å; L209-L212 HydrophobicContact CD1-CD2 3.84Å; L209-L212 HydrophobicContact CD1-CG 4.49Å; L209-L212 WeakPolarHBondContact O-CA 3.13Å; L209-L212 WeakPolarHBondContact O-CB 3.34Å; L209-L212 PolarHBondContact O-N 2.95Å; R210-L212 VanDerWaalsContact C-N 3.29Å; R210-L212 PolarHBondContact O-N 2.9Å; L212-A214 VanDerWaalsContact C-N 3.28Å; L212-A214 PolarHBondContact O-N 3.12Å; L212-W215 PolarHBondContact O-N 3.01Å; L212-W215 VanDerWaalsContact O-N 3.09Å; L212-L216 HydrophobicContact CD1-CD1 3.97Å; L212-L216 HydrophobicContact CD1-CD2 4.47Å; L212-L216 HydrophobicContact CD1-CG 3.91Å; L212-L216 HydrophobicContact CG-CD1 3.97Å; L212-L216 HydrophobicContact CG-CG 4.38Å; L212-L216 WeakPolarHBondContact O-CG 3.4Å; L212-L216 PolarHBondContact O-N 3.47Å; L212-L242 HydrophobicContact CD2-CD2 3.87Å |
| 213 | C | 90.5 | Very high | 89 | Confident | 2 Ų | 2 | 50.6 Ų | 50.6 | 1% | 0.014 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58 | -41.5 | 175.2 | -66.6 | 0 | 0 | 0 | 0 | 111.8 | L209 R210 W215 L216 R217 L242 F250 | L209-C213 PolarHBondContact O-N 3.12Å; R210-C213 PolarHBondContact O-N 3.17Å; C213-W215 VanDerWaalsContact C-N 3.31Å; C213-W215 PolarHBondContact O-N 2.8Å; C213-L216 PolarHBondContact O-N 3.12Å; C213-R217 WeakPolarHBondContact O-CG 3.14Å; C213-R217 PolarHBondContact O-N 3.44Å; C213-R217 VanDerWaalsContact O-N 3.13Å; C213-L242 PolarHBondContact SG-O 3.36Å; C213-F250 HydrophobicContact CB-CE2 4.19Å; C213-F250 HydrophobicContact CB-CZ 4.38Å |
| 214 | A | 89.4 | Confident | 88.4 | Confident | 30 Ų | 30 | 54.4 Ų | 54.4 | 25% | 0.248 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.6 | -37.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | R210 L212 | R210-A214 WeakPolarHBondContact O-CB 3.5Å; R210-A214 PolarHBondContact O-N 2.96Å; L212-A214 VanDerWaalsContact C-N 3.28Å; L212-A214 PolarHBondContact O-N 3.12Å |
| 215 | W | 92 | Very high | 87.9 | Confident | 28 Ų | 28 | 57.5 Ų | 57.5 | 11% | 0.106 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -69.6 | -46.5 | 176.2 | -172.5 | 94.2 | 0 | 0 | 0 | 112.1 | L187 L193 L196 P211 L212 C213 R217 R218 H219 | L187-W215 HydrophobicContact CD1-CB 3.61Å; L187-W215 HydrophobicContact CD1-CD2 4.41Å; L187-W215 HydrophobicContact CD1-CG 3.73Å; L193-W215 HydrophobicContact CD2-CZ2 3.98Å; L193-W215 HydrophobicContact CG-CZ2 4.14Å; L196-W215 HydrophobicContact CB-CE3 4.45Å; L196-W215 HydrophobicContact CB-CH2 3.46Å; L196-W215 VanDerWaalsContact CB-CH2 3.46Å; L196-W215 HydrophobicContact CB-CZ2 4.14Å; L196-W215 HydrophobicContact CB-CZ3 3.63Å; L196-W215 HydrophobicContact CD2-CD2 4.44Å; L196-W215 HydrophobicContact CD2-CE3 4.05Å; L196-W215 HydrophobicContact CD2-CH2 4.42Å; L196-W215 HydrophobicContact CD2-CZ3 4.05Å; L196-W215 HydrophobicContact CG-CZ3 4.46Å; P211-W215 PolarHBondContact O-N 2.81Å; P211-W215 VanDerWaalsContact O-N 3.09Å; L212-W215 PolarHBondContact O-N 3.01Å; L212-W215 VanDerWaalsContact O-N 3.09Å; C213-W215 VanDerWaalsContact C-N 3.31Å; C213-W215 PolarHBondContact O-N 2.8Å; W215-R217 VanDerWaalsContact C-N 3.29Å; W215-R217 PolarHBondContact O-N 3.18Å; W215-R218 PolarHBondContact O-N 3.21Å; W215-H219 AromaticContact CD1-ND1 3.94Å; W215-H219 HydrophobicContact CD2-CB 4.43Å; W215-H219 AromaticContact CD2-ND1 3.63Å; W215-H219 AromaticContact CE2-CE1 3.75Å; W215-H219 AromaticContact CE2-CG 3.8Å; W215-H219 AromaticContact CE2-ND1 3.37Å; W215-H219 HydrophobicContact CE3-CB 4.13Å; W215-H219 AromaticContact CG-ND1 3.97Å; W215-H219 HydrophobicContact CH2-CB 3.61Å; W215-H219 AromaticContact CH2-CG 3.8Å; W215-H219 HydrophobicContact CZ2-CB 3.96Å; W215-H219 AromaticContact CZ2-CD2 3.97Å; W215-H219 AromaticContact CZ2-CG 3.6Å; W215-H219 AromaticContact CZ2-ND1 3.69Å; W215-H219 HydrophobicContact CZ3-CB 3.7Å; W215-H219 AromaticContact NE1-CE1 3.54Å; W215-H219 AromaticContact NE1-ND1 3.58Å; W215-H219 PolarHBondContact O-N 2.98Å; W215-H219 VanDerWaalsContact O-N 3.11Å; W215-H219 PolarHBondContact O-ND1 3.21Å |
| 216 | L | 91.5 | Very high | 87.6 | Confident | 6 Ų | 6 | 58.1 Ų | 58.1 | 3% | 0.031 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.3 | -33.6 | -179.8 | -72 | 171.2 | 0 | 0 | 0 | 112.8 | L212 C213 R218 H219 L221 L229 L242 T243 | L212-L216 HydrophobicContact CD1-CD1 3.97Å; L212-L216 HydrophobicContact CD1-CD2 4.47Å; L212-L216 HydrophobicContact CD1-CG 3.91Å; L212-L216 HydrophobicContact CG-CD1 3.97Å; L212-L216 HydrophobicContact CG-CG 4.38Å; L212-L216 WeakPolarHBondContact O-CG 3.4Å; L212-L216 PolarHBondContact O-N 3.47Å; C213-L216 PolarHBondContact O-N 3.12Å; L216-R218 VanDerWaalsContact C-N 3.26Å; L216-R218 PolarHBondContact O-N 3.05Å; L216-H219 CarbonylContact O-C 3.4Å; L216-H219 VanDerWaalsContact O-C 3.22Å; L216-H219 PolarHBondContact O-N 3.37Å; L216-H219 VanDerWaalsContact O-O 3.06Å; L216-L221 HydrophobicContact CD2-CD1 3.62Å; L216-L221 HydrophobicContact CD2-CG 4.18Å; L216-L229 HydrophobicContact CD1-CD1 4.4Å; L216-L229 HydrophobicContact CD2-CD1 4.35Å; L216-L242 HydrophobicContact CD1-CB 4.23Å; L216-T243 HydrophobicContact CB-CG2 4.36Å; L216-T243 HydrophobicContact CD1-CG2 4.44Å |
| 217 | R | 88.4 | Confident | 87.4 | Confident | 101 Ų | 101 | 63.3 Ų | 63.3 | 38% | 0.381 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -67.1 | -26.5 | 174.7 | -72.6 | -173.9 | -58.3 | -124.8 | 4.3 | 113.5 | C213 W215 F245 D247 | C213-R217 WeakPolarHBondContact O-CG 3.14Å; C213-R217 PolarHBondContact O-N 3.44Å; C213-R217 VanDerWaalsContact O-N 3.13Å; W215-R217 VanDerWaalsContact C-N 3.29Å; W215-R217 PolarHBondContact O-N 3.18Å; R217-F245 PolarHBondContact NH1-O 3.18Å; R217-D247 IonicContact CZ-OD1 3.6Å; R217-D247 IonicContact CZ-OD2 3.77Å; R217-D247 IonicContact NH1-OD1 3.7Å; R217-D247 IonicContact NH2-OD1 2.69Å; R217-D247 PolarHBondContact NH2-OD1 3.45Å; R217-D247 IonicContact NH2-OD2 3.04Å; R217-D247 PolarHBondContact NH2-OD2 2.96Å |
| 218 | R | 89.9 | Confident | 87.5 | Confident | 203 Ų | 203 | 62.1 Ų | 62.1 | 77% | 0.766 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -87.3 | -21.2 | 176.6 | -64.6 | 179.1 | -175.5 | 175.9 | 1.1 | 112.5 | W215 L216 | W215-R218 PolarHBondContact O-N 3.21Å; L216-R218 VanDerWaalsContact C-N 3.26Å; L216-R218 PolarHBondContact O-N 3.05Å |
| 219 | H | 90.8 | Very high | 87.8 | Confident | 61 Ų | 61 | 59.9 Ų | 59.9 | 28% | 0.282 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -126.2 | 77.6 | -177.9 | -56.6 | 86.1 | 0 | 0 | 0 | 108.9 | W215 L216 L221 | W215-H219 AromaticContact CD1-ND1 3.94Å; W215-H219 HydrophobicContact CD2-CB 4.43Å; W215-H219 AromaticContact CD2-ND1 3.63Å; W215-H219 AromaticContact CE2-CE1 3.75Å; W215-H219 AromaticContact CE2-CG 3.8Å; W215-H219 AromaticContact CE2-ND1 3.37Å; W215-H219 HydrophobicContact CE3-CB 4.13Å; W215-H219 AromaticContact CG-ND1 3.97Å; W215-H219 HydrophobicContact CH2-CB 3.61Å; W215-H219 AromaticContact CH2-CG 3.8Å; W215-H219 HydrophobicContact CZ2-CB 3.96Å; W215-H219 AromaticContact CZ2-CD2 3.97Å; W215-H219 AromaticContact CZ2-CG 3.6Å; W215-H219 AromaticContact CZ2-ND1 3.69Å; W215-H219 HydrophobicContact CZ3-CB 3.7Å; W215-H219 AromaticContact NE1-CE1 3.54Å; W215-H219 AromaticContact NE1-ND1 3.58Å; W215-H219 PolarHBondContact O-N 2.98Å; W215-H219 VanDerWaalsContact O-N 3.11Å; W215-H219 PolarHBondContact O-ND1 3.21Å; L216-H219 CarbonylContact O-C 3.4Å; L216-H219 VanDerWaalsContact O-C 3.22Å; L216-H219 PolarHBondContact O-N 3.37Å; L216-H219 VanDerWaalsContact O-O 3.06Å; H219-L221 PolarHBondContact O-N 3.33Å |
| 220 | P | 84.1 | Confident | 87.9 | Confident | 115 Ų | 115 | 62.5 Ų | 62.5 | 75% | 0.747 | 33% | 0.33 | S | S | * | . | P | Polyproline II helix | trans | -61.6 | 126 | -178.6 | 24.1 | -32.1 | 0 | 0 | 0 | 110.4 | ||
| 221 | L | 85.9 | Confident | 88.1 | Confident | 39 Ų | 39 | 57.1 Ų | 57.1 | 20% | 0.204 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -83.7 | 156.4 | 177.7 | -64.7 | 171.6 | 0 | 0 | 0 | 110.9 | L216 H219 E225 A226 L229 | L216-L221 HydrophobicContact CD2-CD1 3.62Å; L216-L221 HydrophobicContact CD2-CG 4.18Å; H219-L221 PolarHBondContact O-N 3.33Å; L221-E225 HydrophobicContact CB-CB 4.35Å; L221-A226 HydrophobicContact CB-CB 4.39Å; L221-L229 HydrophobicContact CD1-CD1 3.46Å; L221-L229 VanDerWaalsContact CD1-CD1 3.46Å |
| 222 | P | 84.8 | Confident | 88.4 | Confident | 72 Ų | 72 | 58.1 Ų | 58.1 | 47% | 0.468 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -53.8 | 146.1 | 165.8 | -21.2 | 32 | 0 | 0 | 0 | 111.1 | S224 E225 A226 | P222-S224 PolarHBondContact O-N 2.91Å; P222-E225 PolarHBondContact O-N 3.42Å; P222-A226 PolarHBondContact O-N 3.49Å |
| 223 | A | 79.7 | Confident | 88.2 | Confident | 68 Ų | 68 | 63.7 Ų | 63.7 | 56% | 0.562 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -53.4 | -41.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | E225 A226 E227 | A223-E225 VanDerWaalsContact C-N 3.27Å; A223-E225 PolarHBondContact O-N 2.02Å; A223-A226 PolarHBondContact O-N 3.17Å; A223-E227 WeakPolarHBondContact O-CB 2.95Å; A223-E227 VanDerWaalsContact O-CG 3.32Å; A223-E227 WeakPolarHBondContact O-CG 2.89Å; A223-E227 PolarHBondContact O-N 3.29Å |
| 224 | S | 82.4 | Confident | 87.9 | Confident | 83 Ų | 83 | 66.4 Ų | 66.4 | 58% | 0.58 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -61.5 | -30.5 | 178.8 | 54.3 | 0 | 0 | 0 | 0 | 114.2 | P222 T228 | P222-S224 PolarHBondContact O-N 2.91Å; S224-T228 VanDerWaalsContact O-CG2 3.32Å; S224-T228 WeakPolarHBondContact O-CG2 3.2Å |
| 225 | E | 83.6 | Confident | 87.7 | Confident | 67 Ų | 67 | 68.3 Ų | 68.3 | 31% | 0.313 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -84.1 | -43.9 | 176.1 | -71.4 | -177.9 | -162.6 | 0 | 0 | 110.8 | L221 P222 A223 E227 T228 | L221-E225 HydrophobicContact CB-CB 4.35Å; P222-E225 PolarHBondContact O-N 3.42Å; A223-E225 VanDerWaalsContact C-N 3.27Å; A223-E225 PolarHBondContact O-N 2.02Å; E225-E227 VanDerWaalsContact C-N 3.31Å; E225-E227 PolarHBondContact O-N 3.22Å; E225-T228 PolarHBondContact O-N 3.03Å; E225-T228 PolarHBondContact O-OG1 3.07Å |
| 226 | A | 83.8 | Confident | 87.2 | Confident | 21 Ų | 21 | 78.6 Ų | 78.6 | 17% | 0.174 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -59.2 | -40 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L221 P222 A223 T228 L229 | L221-A226 HydrophobicContact CB-CB 4.39Å; P222-A226 PolarHBondContact O-N 3.49Å; A223-A226 PolarHBondContact O-N 3.17Å; A226-T228 PolarHBondContact O-N 3Å; A226-L229 PolarHBondContact O-N 3.06Å |
| 227 | E | 84.9 | Confident | 86.9 | Confident | 141 Ų | 141 | 81.1 Ų | 81.1 | 66% | 0.659 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -22.9 | 177.6 | -75.1 | 174.1 | -175.4 | 0 | 0 | 113.3 | A223 E225 L230 | A223-E227 WeakPolarHBondContact O-CB 2.95Å; A223-E227 VanDerWaalsContact O-CG 3.32Å; A223-E227 WeakPolarHBondContact O-CG 2.89Å; A223-E227 PolarHBondContact O-N 3.29Å; E225-E227 VanDerWaalsContact C-N 3.31Å; E225-E227 PolarHBondContact O-N 3.22Å; E227-L230 WeakPolarHBondContact O-CD2 3.3Å |
| 228 | T | 88.8 | Confident | 86.9 | Confident | 44 Ų | 44 | 79.3 Ų | 79.3 | 27% | 0.27 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -10.8 | -179.1 | 69.7 | 0 | 0 | 0 | 0 | 113.2 | S224 E225 A226 L230 | S224-T228 VanDerWaalsContact O-CG2 3.32Å; S224-T228 WeakPolarHBondContact O-CG2 3.2Å; E225-T228 PolarHBondContact O-N 3.03Å; E225-T228 PolarHBondContact O-OG1 3.07Å; A226-T228 PolarHBondContact O-N 3Å; T228-L230 PolarHBondContact O-N 2.81Å |
| 229 | L | 92.7 | Very high | 86.8 | Confident | 4 Ų | 4 | 75.8 Ų | 75.8 | 2% | 0.021 | 42% | 0.423 | C | S | . | . | trans | -87.7 | 84.1 | 178.5 | -62.1 | -174.9 | 0 | 0 | 0 | 109.4 | L198 L216 L221 A226 P241 L242 | L198-L229 HydrophobicContact CB-CD2 3.64Å; L216-L229 HydrophobicContact CD1-CD1 4.4Å; L216-L229 HydrophobicContact CD2-CD1 4.35Å; L221-L229 HydrophobicContact CD1-CD1 3.46Å; L221-L229 VanDerWaalsContact CD1-CD1 3.46Å; A226-L229 PolarHBondContact O-N 3.06Å; L229-P241 CarbonylContact O-C 3.53Å; L229-P241 WeakPolarHBondContact O-CA 3.42Å; L229-L242 HydrophobicContact CB-CB 4.2Å; L229-L242 HydrophobicContact CB-CD1 4.43Å; L229-L242 HydrophobicContact CB-CD2 4.3Å; L229-L242 VanDerWaalsContact O-CD1 3.28Å; L229-L242 WeakPolarHBondContact O-CD1 3.29Å; L229-L242 PolarHBondContact O-N 3.36Å | ||
| 230 | L | 93.3 | Very high | 86.8 | Confident | 56 Ų | 56 | 74.1 Ų | 74.1 | 29% | 0.293 | 42% | 0.418 | S | S | . | . | B | Isolated β-bridge | trans | -112 | 147.8 | -177.4 | -55.7 | -179.7 | 0 | 0 | 0 | 112.1 | E227 T228 L239 S240 P241 L242 | E227-L230 WeakPolarHBondContact O-CD2 3.3Å; T228-L230 PolarHBondContact O-N 2.81Å; L230-L239 HydrophobicContact CD1-CD2 4Å; L230-S240 WeakPolarHBondContact CA-O 3.46Å; L230-P241 HydrophobicContact CD2-CB 4.25Å; L230-L242 VanDerWaalsContact C-CD1 3.4Å |
| 231 | C | 93.6 | Very high | 87.1 | Confident | 1 Ų | 1 | 71 Ų | 71 | 1% | 0.007 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 135.5 | 169.4 | -59.4 | 0 | 0 | 0 | 0 | 111 | C205 L237 T238 L239 S240 F245 | C205-C231 HydrophobicContact CB-CB 3.76Å; C205-C231 WeakPolarHBondContact CB-SG 3.25Å; C205-C231 VanDerWaalsContact SG-CA 3.5Å; C205-C231 WeakPolarHBondContact SG-CB 3.31Å; C205-C231 CovalentContact SG-SG 1.98Å; C205-C231 PolarHBondContact SG-SG 3.25Å; C231-L237 WeakPolarHBondContact CB-O 3.36Å; C231-T238 CarbonylContact O-C 3.12Å; C231-T238 WeakPolarHBondContact O-CA 3.07Å; C231-L239 PolarHBondContact O-N 3.39Å; C231-S240 PolarHBondContact N-O 2.8Å; C231-S240 PolarHBondContact SG-O 2.67Å; C231-S240 PolarHBondContact SG-OG 3.13Å; C231-F245 WeakPolarHBondContact SG-CE2 3.25Å |
| 232 | V | 94.1 | Very high | 87.3 | Confident | 76 Ų | 76 | 69.1 Ų | 69.1 | 46% | 0.461 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | -37.2 | 170.6 | 177.6 | 0 | 0 | 0 | 0 | 110.8 | P202 W203 T238 | P202-V232 HydrophobicContact CB-CB 4.49Å; P202-V232 HydrophobicContact CB-CG2 4.33Å; W203-V232 PolarHBondContact O-N 3.27Å; V232-T238 WeakPolarHBondContact O-CG2 3.4Å; V232-T238 PolarHBondContact O-OG1 3.17Å |
| 233 | W | 87.6 | Confident | 87.2 | Confident | 120 Ų | 120 | 69 Ų | 69 | 46% | 0.455 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 163.8 | 177.4 | 96.5 | 92.4 | 0 | 0 | 0 | 111.9 | A180 P202 W203 G204 C205 | A180-W233 HydrophobicContact CB-CH2 3.29Å; A180-W233 HydrophobicContact CB-CZ2 4.48Å; A180-W233 HydrophobicContact CB-CZ3 3.6Å; A180-W233 WeakPolarHBondContact O-CH2 3.49Å; P202-W233 WeakPolarHBondContact O-CZ3 3.3Å; W203-W233 PolarHBondContact O-N 2.78Å; G204-W233 VanDerWaalsContact CA-CD2 3.45Å; G204-W233 VanDerWaalsContact CA-CE2 3.48Å; C205-W233 PolarHBondContact N-O 2.88Å |
| 234 | P | 85.7 | Confident | 87.5 | Confident | 59 Ų | 59 | 69 Ų | 69 | 38% | 0.383 | 39% | 0.387 | S | S | . | . | S | Bend | cis | -70.6 | 159.6 | -5.1 | 30.3 | -36 | 0 | 0 | 0 | 112.4 | R236 L237 T238 | P234-R236 PolarHBondContact O-N 3.17Å; P234-L237 HydrophobicContact CG-CD1 4.14Å; P234-L237 HydrophobicContact CG-CG 4.43Å; P234-L237 PolarHBondContact O-N 3.19Å; P234-T238 PolarHBondContact O-N 3.48Å |
| 235 | G | 83.4 | Confident | 87.6 | Confident | 69 Ų | 69 | 66.4 Ų | 66.4 | 71% | 0.711 | 37% | 0.365 | S | S | * | . | G | 310 helix | trans | -48.8 | -29 | -170.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | L237 T238 | G235-L237 VanDerWaalsContact C-N 3.27Å; G235-L237 PolarHBondContact O-N 3.22Å; G235-T238 VanDerWaalsContact CA-OG1 3.32Å; G235-T238 WeakPolarHBondContact CA-OG1 3.41Å; G235-T238 PolarHBondContact O-OG1 2.94Å |
| 236 | R | 83.4 | Confident | 87.7 | Confident | 245 Ų | 245 | 66.5 Ų | 66.5 | 93% | 0.925 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | -71.3 | -20.9 | 176.9 | -62.8 | -176.9 | -175.4 | -86.1 | 0.1 | 114 | P234 | P234-R236 PolarHBondContact O-N 3.17Š|
| 237 | L | 83.4 | Confident | 87.5 | Confident | 58 Ų | 58 | 69.5 Ų | 69.5 | 30% | 0.304 | 39% | 0.386 | S | S | . | . | G | 310 helix | trans | -111.4 | 1.1 | -177.1 | -61.7 | 178.4 | 0 | 0 | 0 | 111.7 | C205 C231 P234 G235 L239 S240 F245 | C205-L237 HydrophobicContact CB-CB 4.46Å; C205-L237 HydrophobicContact CB-CD1 4.17Å; C205-L237 WeakPolarHBondContact O-CD1 3.49Å; C231-L237 WeakPolarHBondContact CB-O 3.36Å; P234-L237 HydrophobicContact CG-CD1 4.14Å; P234-L237 HydrophobicContact CG-CG 4.43Å; P234-L237 PolarHBondContact O-N 3.19Å; G235-L237 VanDerWaalsContact C-N 3.27Å; G235-L237 PolarHBondContact O-N 3.22Å; L237-L239 PolarHBondContact O-N 3.37Å; L237-S240 VanDerWaalsContact O-CB 3.3Å; L237-S240 WeakPolarHBondContact O-CB 3.49Å; L237-S240 PolarHBondContact O-N 3.09Å; L237-S240 PolarHBondContact O-OG 3.28Å; L237-F245 HydrophobicContact CD1-CE1 3.97Å; L237-F245 HydrophobicContact CD1-CZ 4.22Å; L237-F245 HydrophobicContact CD2-CE1 4.11Å; L237-F245 HydrophobicContact CD2-CZ 4.37Å |
| 238 | T | 88.4 | Confident | 87.3 | Confident | 64 Ų | 64 | 66 Ų | 66 | 39% | 0.393 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | 137.5 | 178.7 | -55.4 | 0 | 0 | 0 | 0 | 110.5 | C231 V232 P234 G235 S240 | C231-T238 CarbonylContact O-C 3.12Å; C231-T238 WeakPolarHBondContact O-CA 3.07Å; V232-T238 WeakPolarHBondContact O-CG2 3.4Å; V232-T238 PolarHBondContact O-OG1 3.17Å; P234-T238 PolarHBondContact O-N 3.48Å; G235-T238 VanDerWaalsContact CA-OG1 3.32Å; G235-T238 WeakPolarHBondContact CA-OG1 3.41Å; G235-T238 PolarHBondContact O-OG1 2.94Å; T238-S240 PolarHBondContact O-N 3.34Å |
| 239 | L | 88.6 | Confident | 87 | Confident | 128 Ų | 128 | 66.6 Ų | 66.6 | 67% | 0.67 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66 | 5.3 | -173.5 | -51.4 | 177.4 | 0 | 0 | 0 | 116.2 | L230 C231 L237 | L230-L239 HydrophobicContact CD1-CD2 4Å; C231-L239 PolarHBondContact O-N 3.39Å; L237-L239 PolarHBondContact O-N 3.37Å |
| 240 | S | 90.2 | Very high | 86.5 | Confident | 27 Ų | 27 | 66.7 Ų | 66.7 | 19% | 0.189 | 39% | 0.391 | C | S | . | . | trans | -74.3 | 139.4 | 168.8 | 64.3 | 0 | 0 | 0 | 0 | 110.5 | L230 C231 L237 T238 F245 | L230-S240 WeakPolarHBondContact CA-O 3.46Å; C231-S240 PolarHBondContact N-O 2.8Å; C231-S240 PolarHBondContact SG-O 2.67Å; C231-S240 PolarHBondContact SG-OG 3.13Å; L237-S240 VanDerWaalsContact O-CB 3.3Å; L237-S240 WeakPolarHBondContact O-CB 3.49Å; L237-S240 PolarHBondContact O-N 3.09Å; L237-S240 PolarHBondContact O-OG 3.28Å; T238-S240 PolarHBondContact O-N 3.34Å; S240-F245 VanDerWaalsContact OG-CZ 3.3Å; S240-F245 WeakPolarHBondContact OG-CZ 3.22Å | ||
| 241 | P | 90.5 | Very high | 85.7 | Confident | 49 Ų | 49 | 67.5 Ų | 67.5 | 32% | 0.318 | 40% | 0.401 | S | S | . | . | B | Isolated β-bridge | trans | -73.5 | 142.2 | -179.9 | 27.8 | -31.6 | 0 | 0 | 0 | 110.8 | L229 L230 T243 A244 F245 | L229-P241 CarbonylContact O-C 3.53Å; L229-P241 WeakPolarHBondContact O-CA 3.42Å; L230-P241 HydrophobicContact CD2-CB 4.25Å; P241-T243 PolarHBondContact O-N 3.02Å; P241-A244 HydrophobicContact CG-CB 3.8Å; P241-A244 WeakPolarHBondContact O-CB 3.45Å; P241-A244 PolarHBondContact O-N 2.99Å; P241-F245 WeakPolarHBondContact O-CE2 3.47Å |
| 242 | L | 90.2 | Very high | 85 | Confident | 0 Ų | 0 | 75.2 Ų | 75.2 | 0% | 0 | 44% | 0.437 | C | S | . | . | G | 310 helix | trans | -58.7 | -24.5 | -178.9 | -92.3 | 63.1 | 0 | 0 | 0 | 112.9 | W203 L209 L212 C213 L216 L229 L230 | W203-L242 HydrophobicContact CB-CD1 3.92Å; W203-L242 HydrophobicContact CB-CD2 4.24Å; W203-L242 HydrophobicContact CD2-CD2 4.06Å; W203-L242 HydrophobicContact CG-CD1 4.14Å; W203-L242 HydrophobicContact CG-CD2 3.78Å; L209-L242 HydrophobicContact CD1-CD2 4.08Å; L209-L242 HydrophobicContact CD1-CG 4.27Å; L209-L242 HydrophobicContact CD2-CG 4.08Å; L212-L242 HydrophobicContact CD2-CD2 3.87Å; C213-L242 PolarHBondContact SG-O 3.36Å; L216-L242 HydrophobicContact CD1-CB 4.23Å; L229-L242 HydrophobicContact CB-CB 4.2Å; L229-L242 HydrophobicContact CB-CD1 4.43Å; L229-L242 HydrophobicContact CB-CD2 4.3Å; L229-L242 VanDerWaalsContact O-CD1 3.28Å; L229-L242 WeakPolarHBondContact O-CD1 3.29Å; L229-L242 PolarHBondContact O-N 3.36Å; L230-L242 VanDerWaalsContact C-CD1 3.4Å |
| 243 | T | 84 | Confident | 84.2 | Confident | 68 Ų | 68 | 73.8 Ų | 73.8 | 42% | 0.417 | 43% | 0.429 | S | S | . | . | G | 310 helix | trans | -84.4 | -11.6 | 179.4 | 51.9 | 0 | 0 | 0 | 0 | 113.9 | L216 P241 F245 | L216-T243 HydrophobicContact CB-CG2 4.36Å; L216-T243 HydrophobicContact CD1-CG2 4.44Å; P241-T243 PolarHBondContact O-N 3.02Å; T243-F245 PolarHBondContact O-N 3.27Å |
| 244 | A | 84.6 | Confident | 83 | Confident | 70 Ų | 70 | 71.1 Ų | 71.1 | 58% | 0.579 | 43% | 0.433 | S | S | * | . | G | 310 helix | trans | -73.1 | -14.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | P241 S246 | P241-A244 HydrophobicContact CG-CB 3.8Å; P241-A244 WeakPolarHBondContact O-CB 3.45Å; P241-A244 PolarHBondContact O-N 2.99Å; A244-S246 PolarHBondContact O-N 2.94Å |
| 245 | F | 85.5 | Confident | 81.7 | Confident | 28 Ų | 28 | 75.9 Ų | 75.9 | 12% | 0.123 | 45% | 0.45 | C | S | . | . | trans | -84.3 | 117.6 | -175.9 | -59.1 | -84.9 | 0 | 0 | 0 | 111.9 | C205 L209 R217 C231 L237 S240 P241 T243 A249 F250 | C205-F245 HydrophobicContact CB-CE2 4.08Å; C205-F245 HydrophobicContact CB-CZ 3.78Å; L209-F245 HydrophobicContact CD2-CD2 4.41Å; R217-F245 PolarHBondContact NH1-O 3.18Å; C231-F245 WeakPolarHBondContact SG-CE2 3.25Å; L237-F245 HydrophobicContact CD1-CE1 3.97Å; L237-F245 HydrophobicContact CD1-CZ 4.22Å; L237-F245 HydrophobicContact CD2-CE1 4.11Å; L237-F245 HydrophobicContact CD2-CZ 4.37Å; S240-F245 VanDerWaalsContact OG-CZ 3.3Å; S240-F245 WeakPolarHBondContact OG-CZ 3.22Å; P241-F245 WeakPolarHBondContact O-CE2 3.47Å; T243-F245 PolarHBondContact O-N 3.27Å; F245-A249 HydrophobicContact CB-CB 4.31Å; F245-A249 HydrophobicContact CD1-CB 4.12Å; F245-F250 HydrophobicContact CB-CE2 3.75Å; F245-F250 HydrophobicContact CB-CZ 3.8Å; F245-F250 HydrophobicContact CG-CZ 4.29Å | ||
| 246 | S | 84.8 | Confident | 80.5 | Confident | 68 Ų | 68 | 77.9 Ų | 77.9 | 48% | 0.476 | 45% | 0.451 | S | S | . | . | trans | -77.3 | 166 | 169 | 70.2 | 0 | 0 | 0 | 0 | 111.3 | A244 A248 A249 F250 | A244-S246 PolarHBondContact O-N 2.94Å; S246-A248 PolarHBondContact O-N 3.04Å; S246-A249 VanDerWaalsContact O-CB 3.32Å; S246-A249 WeakPolarHBondContact O-CB 3.11Å; S246-A249 PolarHBondContact O-N 3.38Å; S246-A249 VanDerWaalsContact O-N 3.09Å; S246-F250 WeakPolarHBondContact O-CD2 3.45Å | ||
| 247 | D | 79.5 | Confident | 79.1 | Confident | 84 Ų | 84 | 72.3 Ų | 72.3 | 45% | 0.449 | 44% | 0.438 | S | S | . | . | G | 310 helix | trans | -60.2 | -27.8 | 174.8 | -76.7 | -42.2 | 0 | 0 | 0 | 113.2 | R217 A249 F250 | R217-D247 IonicContact CZ-OD1 3.6Å; R217-D247 IonicContact CZ-OD2 3.77Å; R217-D247 IonicContact NH1-OD1 3.7Å; R217-D247 IonicContact NH2-OD1 2.69Å; R217-D247 PolarHBondContact NH2-OD1 3.45Å; R217-D247 IonicContact NH2-OD2 3.04Å; R217-D247 PolarHBondContact NH2-OD2 2.96Å; D247-A249 VanDerWaalsContact C-N 3.26Å; D247-A249 PolarHBondContact O-N 3.12Å; D247-F250 PolarHBondContact O-N 3.42Å |
| 248 | A | 81.1 | Confident | 78.1 | Confident | 68 Ų | 68 | 71.7 Ų | 71.7 | 56% | 0.562 | 44% | 0.442 | S | S | * | . | G | 310 helix | trans | -64.6 | -29.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | S246 F250 S251 | S246-A248 PolarHBondContact O-N 3.04Å; A248-F250 PolarHBondContact O-N 3Å; A248-F250 VanDerWaalsContact O-N 3.17Å; A248-S251 VanDerWaalsContact O-CB 3.29Å; A248-S251 WeakPolarHBondContact O-CB 3.3Å; A248-S251 PolarHBondContact O-N 2.84Å; A248-S251 VanDerWaalsContact O-N 3.13Å; A248-S251 PolarHBondContact O-OG 2.82Å |
| 249 | A | 82.4 | Confident | 76.8 | Confident | 56 Ų | 56 | 76 Ų | 76 | 46% | 0.463 | 46% | 0.461 | S | S | . | . | G | 310 helix | trans | -61.8 | -23.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | F245 S246 D247 | F245-A249 HydrophobicContact CB-CB 4.31Å; F245-A249 HydrophobicContact CD1-CB 4.12Å; S246-A249 VanDerWaalsContact O-CB 3.32Å; S246-A249 WeakPolarHBondContact O-CB 3.11Å; S246-A249 PolarHBondContact O-N 3.38Å; S246-A249 VanDerWaalsContact O-N 3.09Å; D247-A249 VanDerWaalsContact C-N 3.26Å; D247-A249 PolarHBondContact O-N 3.12Å |
| 250 | F | 83.3 | Confident | 75.7 | Confident | 7 Ų | 7 | 79.9 Ų | 79.9 | 3% | 0.031 | 47% | 0.467 | C | S | . | . | G | 310 helix | trans | -103.5 | 8.9 | 179.9 | -54 | -76.3 | 0 | 0 | 0 | 113.6 | G206 L209 R210 C213 F245 S246 D247 A248 H252 C253 | G206-F250 WeakPolarHBondContact O-CE1 3.46Å; L209-F250 HydrophobicContact CB-CE1 4.26Å; L209-F250 HydrophobicContact CB-CZ 4.44Å; R210-F250 HydrophobicContact CB-CB 4.28Å; R210-F250 HydrophobicContact CB-CD1 3.89Å; R210-F250 HydrophobicContact CB-CD2 4.12Å; R210-F250 HydrophobicContact CB-CE1 4.23Å; R210-F250 HydrophobicContact CB-CE2 4.44Å; R210-F250 HydrophobicContact CB-CG 3.83Å; R210-F250 HydrophobicContact CB-CZ 4.49Å; R210-F250 HydrophobicContact CG-CB 4.1Å; R210-F250 HydrophobicContact CG-CD2 3.99Å; R210-F250 HydrophobicContact CG-CG 3.95Å; C213-F250 HydrophobicContact CB-CE2 4.19Å; C213-F250 HydrophobicContact CB-CZ 4.38Å; F245-F250 HydrophobicContact CB-CE2 3.75Å; F245-F250 HydrophobicContact CB-CZ 3.8Å; F245-F250 HydrophobicContact CG-CZ 4.29Å; S246-F250 WeakPolarHBondContact O-CD2 3.45Å; D247-F250 PolarHBondContact O-N 3.42Å; A248-F250 PolarHBondContact O-N 3Å; A248-F250 VanDerWaalsContact O-N 3.17Å; F250-H252 PolarHBondContact O-N 3.5Å; F250-C253 WeakPolarHBondContact O-CB 3.34Å; F250-C253 PolarHBondContact O-N 2.89Å; F250-C253 VanDerWaalsContact O-N 3.07Å |
| 251 | S | 76.1 | Confident | 74.5 | Confident | 72 Ų | 72 | 82 Ų | 82 | 50% | 0.503 | 48% | 0.476 | S | S | . | . | G | 310 helix | trans | -58.6 | -33.2 | -177.8 | 51.3 | 0 | 0 | 0 | 0 | 113.8 | A248 C253 | A248-S251 VanDerWaalsContact O-CB 3.29Å; A248-S251 WeakPolarHBondContact O-CB 3.3Å; A248-S251 PolarHBondContact O-N 2.84Å; A248-S251 VanDerWaalsContact O-N 3.13Å; A248-S251 PolarHBondContact O-OG 2.82Å; S251-C253 VanDerWaalsContact C-N 3.31Å; S251-C253 PolarHBondContact O-N 1.98Å |
| 252 | H | 77.7 | Confident | 73.5 | Confident | 164 Ų | 164 | 83.4 Ų | 83.4 | 76% | 0.759 | 48% | 0.481 | S | S | * | . | G | 310 helix | trans | -83.2 | -6.7 | -180 | -61.4 | 81 | 0 | 0 | 0 | 113.5 | F250 A254 | F250-H252 PolarHBondContact O-N 3.5Å; H252-A254 VanDerWaalsContact C-N 3.28Å; H252-A254 PolarHBondContact O-N 3.16Å |
| 253 | C | 77.4 | Confident | 72.5 | Confident | 45 Ų | 45 | 86 Ų | 86 | 30% | 0.304 | 50% | 0.502 | S | S | . | . | G | 310 helix | trans | -78.7 | -10.7 | -178.1 | -66.8 | 0 | 0 | 0 | 0 | 114.2 | C207 F250 S251 | C207-C253 WeakPolarHBondContact CA-SG 2.98Å; C207-C253 HydrophobicContact CB-CB 3.43Å; C207-C253 VanDerWaalsContact CB-CB 3.43Å; C207-C253 WeakPolarHBondContact CB-SG 3.32Å; C207-C253 WeakPolarHBondContact SG-CA 3.34Å; C207-C253 WeakPolarHBondContact SG-CB 3.03Å; C207-C253 CovalentContact SG-SG 2.02Å; C207-C253 PolarHBondContact SG-SG 3.13Å; F250-C253 WeakPolarHBondContact O-CB 3.34Å; F250-C253 PolarHBondContact O-N 2.89Å; F250-C253 VanDerWaalsContact O-N 3.07Å; S251-C253 VanDerWaalsContact C-N 3.31Å; S251-C253 PolarHBondContact O-N 1.98Å |
| 254 | A | 63.8 | Low | 71.9 | Confident | 64 Ų | 64 | 86.5 Ų | 86.5 | 53% | 0.529 | 51% | 0.505 | S | S | . | . | G | 310 helix | trans | -106 | 23.2 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | H252 P256 | H252-A254 VanDerWaalsContact C-N 3.28Å; H252-A254 PolarHBondContact O-N 3.16Å; A254-P256 WeakPolarHBondContact O-CD 3.3Å |
| 255 | Q | 57.5 | Low | 71.2 | Confident | 160 Ų | 160 | 87.8 Ų | 87.8 | 75% | 0.748 | 51% | 0.506 | S | S | * | . | trans | -90.8 | 98 | 167.7 | -67.5 | -150.4 | -38.5 | 0 | 0 | 109.4 | L257 | Q255-L257 PolarHBondContact O-N 3.17Š| ||
| 256 | P | 57.9 | Low | 70.6 | Confident | 111 Ų | 111 | 94.5 Ų | 94.5 | 72% | 0.721 | 53% | 0.531 | S | S | * | . | trans | -55.3 | 133.4 | 150.3 | 27.1 | -30.9 | 0 | 0 | 0 | 105.9 | A254 A258 | A254-P256 WeakPolarHBondContact O-CD 3.3Å; P256-A258 PolarHBondContact O-N 2.87Å | ||
| 257 | L | 55.3 | Low | 70 | Confident | 127 Ų | 127 | 94.1 Ų | 94.1 | 67% | 0.665 | 53% | 0.532 | S | S | * | . | trans | -43.5 | 116.9 | 171 | -79.9 | 151.9 | 0 | 0 | 0 | 107.4 | Q255 D261 | Q255-L257 PolarHBondContact O-N 3.17Å; L257-D261 HydrophobicContact CD2-CB 4Å | ||
| 258 | A | 61.6 | Low | 69.9 | Low | 46 Ų | 46 | 95.3 Ų | 95.3 | 38% | 0.38 | 54% | 0.538 | S | S | . | . | trans | -61.4 | 151.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | P256 R260 D261 L262 | P256-A258 PolarHBondContact O-N 2.87Å; A258-R260 HydrophobicContact CB-CB 4.48Å; A258-R260 CarbonylContact O-C 3.58Å; A258-R260 PolarHBondContact O-N 2.88Å; A258-D261 WeakPolarHBondContact CB-OD2 3.46Å; A258-D261 PolarHBondContact N-OD2 2.99Å; A258-D261 VanDerWaalsContact N-OD2 3.12Å; A258-D261 WeakPolarHBondContact O-CA 2.93Å; A258-D261 PolarHBondContact O-N 3.2Å; A258-L262 PolarHBondContact O-N 3.06Å | ||
| 259 | L | 60.9 | Low | 69.7 | Low | 154 Ų | 154 | 94 Ų | 94 | 81% | 0.806 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -51 | -27.1 | 172.5 | -115.5 | 150.8 | 0 | 0 | 0 | 111.9 | A263 | L259-A263 VanDerWaalsContact O-CB 3.27Å; L259-A263 WeakPolarHBondContact O-CB 3.44Å; L259-A263 PolarHBondContact O-N 3.06Å |
| 260 | R | 64.6 | Low | 69.8 | Low | 210 Ų | 210 | 94.5 Ų | 94.5 | 79% | 0.792 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -68.4 | -44.1 | 171 | -72.2 | -174.9 | 173.7 | -169.9 | -1.8 | 113.7 | A258 L262 A263 V264 | A258-R260 HydrophobicContact CB-CB 4.48Å; A258-R260 CarbonylContact O-C 3.58Å; A258-R260 PolarHBondContact O-N 2.88Å; R260-L262 VanDerWaalsContact C-N 3.34Å; R260-A263 WeakPolarHBondContact O-CB 3.34Å; R260-A263 PolarHBondContact O-N 3.35Å; R260-V264 VanDerWaalsContact O-CG2 3.31Å; R260-V264 WeakPolarHBondContact O-CG2 3.45Å; R260-V264 PolarHBondContact O-N 3Å |
| 261 | D | 65.9 | Low | 69.8 | Low | 70 Ų | 70 | 96.5 Ų | 96.5 | 37% | 0.374 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -69.7 | -36.2 | 178 | -55.3 | -40.6 | 0 | 0 | 0 | 110.9 | L257 A258 V264 V265 | L257-D261 HydrophobicContact CD2-CB 4Å; A258-D261 WeakPolarHBondContact CB-OD2 3.46Å; A258-D261 PolarHBondContact N-OD2 2.99Å; A258-D261 VanDerWaalsContact N-OD2 3.12Å; A258-D261 WeakPolarHBondContact O-CA 2.93Å; A258-D261 PolarHBondContact O-N 3.2Å; D261-V264 PolarHBondContact O-N 2.71Å; D261-V265 WeakPolarHBondContact O-CG2 3.43Å; D261-V265 PolarHBondContact O-N 3.39Å |
| 262 | L | 69.3 | Low | 70.3 | Confident | 80 Ų | 80 | 96.8 Ų | 96.8 | 42% | 0.419 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62 | -47.7 | 169.5 | -151.5 | 83.8 | 0 | 0 | 0 | 110.2 | A258 R260 V264 V265 Y266 | A258-L262 PolarHBondContact O-N 3.06Å; R260-L262 VanDerWaalsContact C-N 3.34Å; L262-V264 VanDerWaalsContact C-N 3.3Å; L262-V264 PolarHBondContact O-N 2.93Å; L262-V265 PolarHBondContact O-N 3.23Å; L262-Y266 HydrophobicContact CD1-CD2 4.38Å; L262-Y266 HydrophobicContact CD1-CE2 3.92Å; L262-Y266 HydrophobicContact CD2-CD2 4.42Å; L262-Y266 HydrophobicContact CD2-CE2 4.27Å; L262-Y266 HydrophobicContact CG-CD2 3.77Å; L262-Y266 HydrophobicContact CG-CE2 3.74Å; L262-Y266 WeakPolarHBondContact O-CB 3.43Å; L262-Y266 VanDerWaalsContact O-CD2 3.25Å; L262-Y266 WeakPolarHBondContact O-CD2 3.28Å; L262-Y266 PolarHBondContact O-N 3.38Å |
| 263 | A | 68.8 | Low | 70.7 | Confident | 54 Ų | 54 | 95.5 Ų | 95.5 | 45% | 0.446 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -60.5 | -37.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L259 R260 Y266 A267 | L259-A263 VanDerWaalsContact O-CB 3.27Å; L259-A263 WeakPolarHBondContact O-CB 3.44Å; L259-A263 PolarHBondContact O-N 3.06Å; R260-A263 WeakPolarHBondContact O-CB 3.34Å; R260-A263 PolarHBondContact O-N 3.35Å; A263-Y266 PolarHBondContact O-N 2.93Å; A263-A267 WeakPolarHBondContact O-CA 3.32Å; A263-A267 WeakPolarHBondContact O-CB 3.32Å; A263-A267 PolarHBondContact O-N 3.32Å |
| 264 | V | 71.8 | Confident | 71.3 | Confident | 78 Ų | 78 | 98.5 Ų | 98.5 | 47% | 0.473 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -60.5 | -49.5 | 173.6 | 163.5 | 0 | 0 | 0 | 0 | 110.4 | R260 D261 L262 Y266 L268 | R260-V264 VanDerWaalsContact O-CG2 3.31Å; R260-V264 WeakPolarHBondContact O-CG2 3.45Å; R260-V264 PolarHBondContact O-N 3Å; D261-V264 PolarHBondContact O-N 2.71Å; L262-V264 VanDerWaalsContact C-N 3.3Å; L262-V264 PolarHBondContact O-N 2.93Å; V264-Y266 PolarHBondContact O-N 2.95Å; V264-L268 HydrophobicContact CB-CD1 4.21Å; V264-L268 HydrophobicContact CG1-CD1 3.65Å; V264-L268 HydrophobicContact CG2-CD1 4.33Å; V264-L268 VanDerWaalsContact O-CB 3.3Å; V264-L268 WeakPolarHBondContact O-CB 3.41Å; V264-L268 PolarHBondContact O-N 3.35Å |
| 265 | V | 70.1 | Confident | 72.6 | Confident | 98 Ų | 98 | 100.4 Ų | 100.4 | 59% | 0.594 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -64.4 | -41.8 | 179.9 | 174.4 | 0 | 0 | 0 | 0 | 111.9 | D261 L262 | D261-V265 WeakPolarHBondContact O-CG2 3.43Å; D261-V265 PolarHBondContact O-N 3.39Å; L262-V265 PolarHBondContact O-N 3.23Å |
| 266 | Y | 72.5 | Confident | 74.2 | Confident | 168 Ų | 168 | 96.1 Ų | 96.1 | 66% | 0.659 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -84.7 | -17 | -177.7 | -78.1 | -86.6 | 0 | 0 | 0 | 114.6 | L262 A263 V264 P270 | L262-Y266 HydrophobicContact CD1-CD2 4.38Å; L262-Y266 HydrophobicContact CD1-CE2 3.92Å; L262-Y266 HydrophobicContact CD2-CD2 4.42Å; L262-Y266 HydrophobicContact CD2-CE2 4.27Å; L262-Y266 HydrophobicContact CG-CD2 3.77Å; L262-Y266 HydrophobicContact CG-CE2 3.74Å; L262-Y266 WeakPolarHBondContact O-CB 3.43Å; L262-Y266 VanDerWaalsContact O-CD2 3.25Å; L262-Y266 WeakPolarHBondContact O-CD2 3.28Å; L262-Y266 PolarHBondContact O-N 3.38Å; A263-Y266 PolarHBondContact O-N 2.93Å; V264-Y266 PolarHBondContact O-N 2.95Å; Y266-P270 WeakPolarHBondContact O-CD 3.5Å; Y266-P270 WeakPolarHBondContact O-CG 3.45Å |
| 267 | A | 73.6 | Confident | 75.9 | Confident | 60 Ų | 60 | 94.8 Ų | 94.8 | 50% | 0.496 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -99.4 | -46.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A263 A271 | A263-A267 WeakPolarHBondContact O-CA 3.32Å; A263-A267 WeakPolarHBondContact O-CB 3.32Å; A263-A267 PolarHBondContact O-N 3.32Å; A267-A271 WeakPolarHBondContact O-CB 3.27Å; A267-A271 PolarHBondContact O-N 3.15Å; A267-A271 VanDerWaalsContact O-N 3.12Å |
| 268 | L | 76.7 | Confident | 77.6 | Confident | 110 Ų | 110 | 91.1 Ų | 91.1 | 58% | 0.576 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -75.3 | -34 | -175.7 | -76.9 | 148 | 0 | 0 | 0 | 112.5 | V264 S272 | V264-L268 HydrophobicContact CB-CD1 4.21Å; V264-L268 HydrophobicContact CG1-CD1 3.65Å; V264-L268 HydrophobicContact CG2-CD1 4.33Å; V264-L268 VanDerWaalsContact O-CB 3.3Å; V264-L268 WeakPolarHBondContact O-CB 3.41Å; V264-L268 PolarHBondContact O-N 3.35Å; L268-S272 VanDerWaalsContact O-CB 3.25Å; L268-S272 WeakPolarHBondContact O-CB 3.49Å; L268-S272 PolarHBondContact O-N 2.88Å; L268-S272 PolarHBondContact O-OG 2.8Å |
| 269 | G | 76.6 | Confident | 79.1 | Confident | 39 Ų | 39 | 91.2 Ų | 91.2 | 40% | 0.402 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.2 | -60.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | A271 S272 F273 | G269-A271 PolarHBondContact O-N 3.45Å; G269-S272 PolarHBondContact O-N 2.85Å; G269-S272 PolarHBondContact O-OG 3.43Å; G269-F273 PolarHBondContact O-N 2.89Å; G269-F273 VanDerWaalsContact O-N 3.15Å |
| 270 | P | 85.2 | Confident | 80.5 | Confident | 68 Ų | 68 | 87.7 Ų | 87.7 | 44% | 0.442 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.5 | -37.9 | 178.9 | -25.5 | 37.3 | 0 | 0 | 0 | 113.6 | Y266 F273 L274 | Y266-P270 WeakPolarHBondContact O-CD 3.5Å; Y266-P270 WeakPolarHBondContact O-CG 3.45Å; P270-F273 PolarHBondContact O-N 3.04Å; P270-L274 WeakPolarHBondContact O-CB 3.25Å; P270-L274 VanDerWaalsContact O-CG 3.25Å; P270-L274 WeakPolarHBondContact O-CG 3.38Å; P270-L274 PolarHBondContact O-N 3.46Å |
| 271 | A | 83.4 | Confident | 81.8 | Confident | 49 Ų | 49 | 83.1 Ų | 83.1 | 41% | 0.405 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.7 | -44.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A267 G269 F273 L274 V275 | A267-A271 WeakPolarHBondContact O-CB 3.27Å; A267-A271 PolarHBondContact O-N 3.15Å; A267-A271 VanDerWaalsContact O-N 3.12Å; G269-A271 PolarHBondContact O-N 3.45Å; A271-F273 VanDerWaalsContact C-N 3.33Å; A271-F273 PolarHBondContact O-N 2.96Å; A271-L274 PolarHBondContact O-N 2.83Å; A271-V275 WeakPolarHBondContact O-CB 3.46Å; A271-V275 VanDerWaalsContact O-CG2 3.27Å; A271-V275 WeakPolarHBondContact O-CG2 3.3Å; A271-V275 PolarHBondContact O-N 2.6Å |
| 272 | S | 84.8 | Confident | 83.1 | Confident | 77 Ų | 77 | 84.7 Ų | 84.7 | 54% | 0.538 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64 | -38.5 | 176.6 | 62.2 | 0 | 0 | 0 | 0 | 112.2 | L268 G269 S276 | L268-S272 VanDerWaalsContact O-CB 3.25Å; L268-S272 WeakPolarHBondContact O-CB 3.49Å; L268-S272 PolarHBondContact O-N 2.88Å; L268-S272 PolarHBondContact O-OG 2.8Å; G269-S272 PolarHBondContact O-N 2.85Å; G269-S272 PolarHBondContact O-OG 3.43Å; S272-S276 WeakPolarHBondContact O-CB 3.4Å; S272-S276 PolarHBondContact O-N 3.37Å |
| 273 | F | 87 | Confident | 84.1 | Confident | 138 Ų | 138 | 86.6 Ų | 86.6 | 61% | 0.605 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.2 | -47 | 173.8 | -179.6 | -98.1 | 0 | 0 | 0 | 112.2 | G269 P270 A271 S276 L277 | G269-F273 PolarHBondContact O-N 2.89Å; G269-F273 VanDerWaalsContact O-N 3.15Å; P270-F273 PolarHBondContact O-N 3.04Å; A271-F273 VanDerWaalsContact C-N 3.33Å; A271-F273 PolarHBondContact O-N 2.96Å; F273-S276 PolarHBondContact O-N 2.8Å; F273-L277 WeakPolarHBondContact O-CB 3.1Å; F273-L277 PolarHBondContact O-N 3.02Å |
| 274 | L | 89.8 | Confident | 84.9 | Confident | 107 Ų | 107 | 85.6 Ų | 85.6 | 56% | 0.56 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66.1 | -39.6 | 179.9 | -70.6 | 173.5 | 0 | 0 | 0 | 112.5 | P270 A271 L277 A278 | P270-L274 WeakPolarHBondContact O-CB 3.25Å; P270-L274 VanDerWaalsContact O-CG 3.25Å; P270-L274 WeakPolarHBondContact O-CG 3.38Å; P270-L274 PolarHBondContact O-N 3.46Å; A271-L274 PolarHBondContact O-N 2.83Å; L274-L277 PolarHBondContact O-N 3.43Å; L274-A278 WeakPolarHBondContact O-CB 3.31Å; L274-A278 PolarHBondContact O-N 3.25Å |
| 275 | V | 91.6 | Very high | 85.5 | Confident | 105 Ų | 105 | 85 Ų | 85 | 64% | 0.636 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.6 | -43.4 | 175.5 | 170.3 | 0 | 0 | 0 | 0 | 110.8 | A271 A278 A279 | A271-V275 WeakPolarHBondContact O-CB 3.46Å; A271-V275 VanDerWaalsContact O-CG2 3.27Å; A271-V275 WeakPolarHBondContact O-CG2 3.3Å; A271-V275 PolarHBondContact O-N 2.6Å; V275-A278 PolarHBondContact O-N 2.8Å; V275-A279 WeakPolarHBondContact O-CB 3.41Å; V275-A279 PolarHBondContact O-N 3.35Å |
| 276 | S | 90.9 | Very high | 86.3 | Confident | 69 Ų | 69 | 82 Ų | 82 | 48% | 0.483 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.7 | -42.2 | 176.5 | -171.1 | 0 | 0 | 0 | 0 | 112 | S272 F273 A279 C280 | S272-S276 WeakPolarHBondContact O-CB 3.4Å; S272-S276 PolarHBondContact O-N 3.37Å; F273-S276 PolarHBondContact O-N 2.8Å; S276-A279 PolarHBondContact O-N 2.95Å; S276-C280 WeakPolarHBondContact O-CB 3.35Å; S276-C280 PolarHBondContact O-N 2.98Å; S276-C280 PolarHBondContact O-SG 2.88Å; S276-C280 VanDerWaalsContact O-SG 3.41Å |
| 277 | L | 92.6 | Very high | 86.7 | Confident | 83 Ų | 83 | 79.2 Ų | 79.2 | 44% | 0.435 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.9 | -46 | 175.9 | -175.7 | 68.9 | 0 | 0 | 0 | 111.7 | F273 L274 C280 L281 | F273-L277 WeakPolarHBondContact O-CB 3.1Å; F273-L277 PolarHBondContact O-N 3.02Å; L274-L277 PolarHBondContact O-N 3.43Å; L277-C280 PolarHBondContact O-N 3.46Å; L277-L281 HydrophobicContact CG-CD1 4.28Å; L277-L281 WeakPolarHBondContact O-CG 3.29Å; L277-L281 PolarHBondContact O-N 2.96Å |
| 278 | A | 92.3 | Very high | 87 | Confident | 51 Ų | 51 | 80.6 Ų | 80.6 | 42% | 0.421 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62 | -44.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L274 V275 C280 L281 V282 | L274-A278 WeakPolarHBondContact O-CB 3.31Å; L274-A278 PolarHBondContact O-N 3.25Å; V275-A278 PolarHBondContact O-N 2.8Å; A278-C280 VanDerWaalsContact C-N 3.35Å; A278-C280 PolarHBondContact O-N 2.95Å; A278-L281 PolarHBondContact O-N 3.39Å; A278-V282 WeakPolarHBondContact O-CG2 3.48Å; A278-V282 PolarHBondContact O-N 3.41Å |
| 279 | A | 92.4 | Very high | 87.2 | Confident | 47 Ų | 47 | 77.5 Ų | 77.5 | 39% | 0.388 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.7 | -44.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | V275 S276 L281 V282 L283 | V275-A279 WeakPolarHBondContact O-CB 3.41Å; V275-A279 PolarHBondContact O-N 3.35Å; S276-A279 PolarHBondContact O-N 2.95Å; A279-L281 PolarHBondContact O-N 3.45Å; A279-V282 PolarHBondContact O-N 3.31Å; A279-L283 WeakPolarHBondContact O-CB 3.44Å; A279-L283 VanDerWaalsContact O-CG 3.29Å; A279-L283 WeakPolarHBondContact O-CG 3.33Å; A279-L283 PolarHBondContact O-N 2.97Å |
| 280 | C | 91.4 | Very high | 87.2 | Confident | 81 Ų | 81 | 79.3 Ų | 79.3 | 55% | 0.547 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.4 | -42.6 | 175.5 | -77.9 | 0 | 0 | 0 | 0 | 112.7 | S276 L277 A278 G284 | S276-C280 WeakPolarHBondContact O-CB 3.35Å; S276-C280 PolarHBondContact O-N 2.98Å; S276-C280 PolarHBondContact O-SG 2.88Å; S276-C280 VanDerWaalsContact O-SG 3.41Å; L277-C280 PolarHBondContact O-N 3.46Å; A278-C280 VanDerWaalsContact C-N 3.35Å; A278-C280 PolarHBondContact O-N 2.95Å; C280-G284 PolarHBondContact O-N 3.24Å |
| 281 | L | 91.5 | Very high | 86.8 | Confident | 114 Ų | 114 | 84.5 Ų | 84.5 | 60% | 0.597 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.8 | -40.3 | 178.1 | -71 | 171.3 | 0 | 0 | 0 | 112.2 | L277 A278 A279 S285 | L277-L281 HydrophobicContact CG-CD1 4.28Å; L277-L281 WeakPolarHBondContact O-CG 3.29Å; L277-L281 PolarHBondContact O-N 2.96Å; A278-L281 PolarHBondContact O-N 3.39Å; A279-L281 PolarHBondContact O-N 3.45Å; L281-S285 VanDerWaalsContact O-CB 3.31Å; L281-S285 WeakPolarHBondContact O-CB 3.33Å; L281-S285 PolarHBondContact O-N 3.38Å; L281-S285 PolarHBondContact O-OG 3.44Å |
| 282 | V | 92 | Very high | 86.5 | Confident | 102 Ų | 102 | 84.4 Ų | 84.4 | 62% | 0.618 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66.4 | -45.9 | 176.9 | 172.4 | 0 | 0 | 0 | 0 | 111 | A278 A279 S285 G286 | A278-V282 WeakPolarHBondContact O-CG2 3.48Å; A278-V282 PolarHBondContact O-N 3.41Å; A279-V282 PolarHBondContact O-N 3.31Å; V282-S285 WeakPolarHBondContact CA-OG 3.3Å; V282-S285 PolarHBondContact O-N 2.92Å; V282-S285 PolarHBondContact O-OG 2.89Å; V282-G286 PolarHBondContact O-N 2.97Å |
| 283 | L | 90.2 | Very high | 85.9 | Confident | 120 Ų | 120 | 89.3 Ų | 89.3 | 63% | 0.628 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.5 | -42.7 | 177.1 | -70.2 | 170.5 | 0 | 0 | 0 | 111.4 | A279 G286 L287 | A279-L283 WeakPolarHBondContact O-CB 3.44Å; A279-L283 VanDerWaalsContact O-CG 3.29Å; A279-L283 WeakPolarHBondContact O-CG 3.33Å; A279-L283 PolarHBondContact O-N 2.97Å; L283-G286 PolarHBondContact O-N 3.44Å; L283-L287 WeakPolarHBondContact O-CB 3.3Å; L283-L287 VanDerWaalsContact O-CG 3.26Å; L283-L287 WeakPolarHBondContact O-CG 3.32Å; L283-L287 PolarHBondContact O-N 3Å |
| 284 | G | 86 | Confident | 85.2 | Confident | 33 Ų | 33 | 92.1 Ų | 92.1 | 34% | 0.34 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.3 | -44.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | C280 L287 T288 | C280-G284 PolarHBondContact O-N 3.24Å; G284-L287 PolarHBondContact O-N 3.46Å; G284-T288 WeakPolarHBondContact O-CG2 3.26Å; G284-T288 PolarHBondContact O-N 2.95Å; G284-T288 PolarHBondContact O-OG1 2.9Å |
| 285 | S | 85.5 | Confident | 84.3 | Confident | 66 Ų | 66 | 96.3 Ų | 96.3 | 46% | 0.462 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.3 | -38.9 | 176.1 | 56.1 | 0 | 0 | 0 | 0 | 112.3 | L281 V282 T288 A289 | L281-S285 VanDerWaalsContact O-CB 3.31Å; L281-S285 WeakPolarHBondContact O-CB 3.33Å; L281-S285 PolarHBondContact O-N 3.38Å; L281-S285 PolarHBondContact O-OG 3.44Å; V282-S285 WeakPolarHBondContact CA-OG 3.3Å; V282-S285 PolarHBondContact O-N 2.92Å; V282-S285 PolarHBondContact O-OG 2.89Å; S285-T288 VanDerWaalsContact CA-OG1 3.3Å; S285-T288 WeakPolarHBondContact CA-OG1 3.41Å; S285-T288 PolarHBondContact O-N 3.43Å; S285-T288 PolarHBondContact O-OG1 3.46Å; S285-A289 VanDerWaalsContact O-CB 3.3Å; S285-A289 WeakPolarHBondContact O-CB 3.44Å; S285-A289 PolarHBondContact O-N 2.89Å |
| 286 | G | 85.7 | Confident | 83.1 | Confident | 35 Ų | 35 | 100.4 Ų | 100.4 | 36% | 0.361 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.9 | -45.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | V282 L283 A289 C290 | V282-G286 PolarHBondContact O-N 2.97Å; L283-G286 PolarHBondContact O-N 3.44Å; G286-A289 PolarHBondContact O-N 2.93Å; G286-C290 VanDerWaalsContact O-CB 3.31Å; G286-C290 WeakPolarHBondContact O-CB 3.35Å; G286-C290 PolarHBondContact O-N 3.39Å; G286-C290 PolarHBondContact O-SG 2.87Å |
| 287 | L | 80.6 | Confident | 81.9 | Confident | 109 Ų | 109 | 106.3 Ų | 106.3 | 57% | 0.571 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -64.6 | -41.7 | 177.6 | -73.9 | 170.3 | 0 | 0 | 0 | 112.3 | L283 G284 C290 R291 | L283-L287 WeakPolarHBondContact O-CB 3.3Å; L283-L287 VanDerWaalsContact O-CG 3.26Å; L283-L287 WeakPolarHBondContact O-CG 3.32Å; L283-L287 PolarHBondContact O-N 3Å; G284-L287 PolarHBondContact O-N 3.46Å; L287-C290 PolarHBondContact O-N 3.39Å; L287-R291 WeakPolarHBondContact O-CB 3.42Å; L287-R291 VanDerWaalsContact O-CG 3.31Å; L287-R291 WeakPolarHBondContact O-CG 3.48Å; L287-R291 PolarHBondContact O-N 3.31Å |
| 288 | T | 81.6 | Confident | 80.5 | Confident | 90 Ų | 90 | 106.5 Ų | 106.5 | 55% | 0.552 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -67.3 | -41.7 | 177 | 50.6 | 0 | 0 | 0 | 0 | 111.8 | G284 S285 R291 A292 | G284-T288 WeakPolarHBondContact O-CG2 3.26Å; G284-T288 PolarHBondContact O-N 2.95Å; G284-T288 PolarHBondContact O-OG1 2.9Å; S285-T288 VanDerWaalsContact CA-OG1 3.3Å; S285-T288 WeakPolarHBondContact CA-OG1 3.41Å; S285-T288 PolarHBondContact O-N 3.43Å; S285-T288 PolarHBondContact O-OG1 3.46Å; T288-R291 PolarHBondContact O-N 2.88Å; T288-A292 WeakPolarHBondContact O-CB 3.31Å; T288-A292 PolarHBondContact O-N 3.35Å |
| 289 | A | 79.4 | Confident | 79 | Confident | 45 Ų | 45 | 113.4 Ų | 113.4 | 37% | 0.372 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.6 | -42.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | S285 G286 A292 R293 | S285-A289 VanDerWaalsContact O-CB 3.3Å; S285-A289 WeakPolarHBondContact O-CB 3.44Å; S285-A289 PolarHBondContact O-N 2.89Å; G286-A289 PolarHBondContact O-N 2.93Å; A289-A292 PolarHBondContact O-N 2.92Å; A289-R293 WeakPolarHBondContact O-CB 3.43Å; A289-R293 WeakPolarHBondContact O-CG 3.31Å; A289-R293 PolarHBondContact O-N 3.47Å |
| 290 | C | 78.1 | Confident | 77.4 | Confident | 76 Ų | 76 | 115.8 Ų | 115.8 | 51% | 0.514 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -63.1 | -42.6 | 174.7 | -83.4 | 0 | 0 | 0 | 0 | 112.2 | G286 L287 R293 R294 | G286-C290 VanDerWaalsContact O-CB 3.31Å; G286-C290 WeakPolarHBondContact O-CB 3.35Å; G286-C290 PolarHBondContact O-N 3.39Å; G286-C290 PolarHBondContact O-SG 2.87Å; L287-C290 PolarHBondContact O-N 3.39Å; C290-R293 PolarHBondContact O-N 2.88Å; C290-R294 WeakPolarHBondContact O-CB 3.43Å; C290-R294 PolarHBondContact O-N 2.85Å |
| 291 | R | 76.9 | Confident | 75.8 | Confident | 178 Ų | 178 | 115.5 Ų | 115.5 | 67% | 0.672 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -62.7 | -42.1 | 173.7 | -76.1 | 176.6 | 177.6 | 178.1 | 0.3 | 111.6 | L287 T288 R294 R295 | L287-R291 WeakPolarHBondContact O-CB 3.42Å; L287-R291 VanDerWaalsContact O-CG 3.31Å; L287-R291 WeakPolarHBondContact O-CG 3.48Å; L287-R291 PolarHBondContact O-N 3.31Å; T288-R291 PolarHBondContact O-N 2.88Å; R291-R294 PolarHBondContact O-N 3.44Å; R291-R295 WeakPolarHBondContact O-CB 3.42Å; R291-R295 WeakPolarHBondContact O-CG 3.46Å; R291-R295 PolarHBondContact O-N 3.03Å |
| 292 | A | 75.6 | Confident | 74.1 | Confident | 47 Ų | 47 | 115.8 Ų | 115.8 | 39% | 0.388 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -64.7 | -42.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | T288 A289 R295 R296 | T288-A292 WeakPolarHBondContact O-CB 3.31Å; T288-A292 PolarHBondContact O-N 3.35Å; A289-A292 PolarHBondContact O-N 2.92Å; A292-R295 PolarHBondContact O-N 2.92Å; A292-R296 WeakPolarHBondContact O-CG 3.37Å; A292-R296 PolarHBondContact O-N 3.46Å |
| 293 | R | 73.7 | Confident | 72.4 | Confident | 180 Ų | 180 | 117.8 Ų | 117.8 | 68% | 0.679 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -65 | -41.9 | 175.1 | -74.4 | 179.1 | -178 | -169.6 | 1.5 | 112.1 | A289 C290 R296 R297 | A289-R293 WeakPolarHBondContact O-CB 3.43Å; A289-R293 WeakPolarHBondContact O-CG 3.31Å; A289-R293 PolarHBondContact O-N 3.47Å; C290-R293 PolarHBondContact O-N 2.88Å; R293-R296 PolarHBondContact O-N 3.44Å; R293-R297 WeakPolarHBondContact O-CB 3.46Å; R293-R297 WeakPolarHBondContact O-CG 3.37Å; R293-R297 PolarHBondContact O-N 3.11Å |
| 294 | R | 71.8 | Confident | 70.3 | Confident | 196 Ų | 196 | 122.9 Ų | 122.9 | 74% | 0.74 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -61.1 | -46.7 | 172.6 | -82.1 | -170.3 | 179.7 | -146.5 | 2.1 | 111.4 | C290 R291 R296 R297 C298 | C290-R294 WeakPolarHBondContact O-CB 3.43Å; C290-R294 PolarHBondContact O-N 2.85Å; R291-R294 PolarHBondContact O-N 3.44Å; R294-R296 PolarHBondContact O-N 2.95Å; R294-R297 PolarHBondContact O-N 3.23Å; R294-C298 PolarHBondContact O-N 3.18Å; R294-C298 PolarHBondContact O-SG 3.33Å |
| 295 | R | 70 | Confident | 68.7 | Low | 195 Ų | 195 | 126.5 Ų | 126.5 | 74% | 0.736 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -60 | -41.9 | 176.2 | -75.9 | -178.9 | 178.4 | -164.8 | -0.2 | 112.5 | R291 A292 R299 | R291-R295 WeakPolarHBondContact O-CB 3.42Å; R291-R295 WeakPolarHBondContact O-CG 3.46Å; R291-R295 PolarHBondContact O-N 3.03Å; A292-R295 PolarHBondContact O-N 2.92Å; R295-R299 WeakPolarHBondContact O-CG 3.47Å; R295-R299 PolarHBondContact O-N 2.89Å; R295-R299 VanDerWaalsContact O-N 3.11Å |
| 296 | R | 67.9 | Low | 67 | Low | 191 Ų | 191 | 129.6 Ų | 129.6 | 72% | 0.721 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -64.8 | -44.1 | 174.8 | -74.8 | -174.7 | -176.6 | -160.1 | 2 | 112 | A292 R293 R294 R299 T300 | A292-R296 WeakPolarHBondContact O-CG 3.37Å; A292-R296 PolarHBondContact O-N 3.46Å; R293-R296 PolarHBondContact O-N 3.44Å; R294-R296 PolarHBondContact O-N 2.95Å; R296-R299 PolarHBondContact O-N 2.91Å; R296-T300 PolarHBondContact O-N 2.9Å; R296-T300 PolarHBondContact O-OG1 2.92Å |
| 297 | R | 65.5 | Low | 65.1 | Low | 194 Ų | 194 | 139.4 Ų | 139.4 | 73% | 0.732 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -62.3 | -41.2 | 176.6 | -79.1 | -176.3 | 178.8 | -178.6 | -0.8 | 112.8 | R293 R294 T300 A301 | R293-R297 WeakPolarHBondContact O-CB 3.46Å; R293-R297 WeakPolarHBondContact O-CG 3.37Å; R293-R297 PolarHBondContact O-N 3.11Å; R294-R297 PolarHBondContact O-N 3.23Å; R297-T300 WeakPolarHBondContact CA-OG1 3.47Å; R297-T300 PolarHBondContact O-N 3.43Å; R297-T300 PolarHBondContact O-OG1 3.43Å; R297-A301 WeakPolarHBondContact O-CB 3.42Å; R297-A301 PolarHBondContact O-N 3.26Å |
| 298 | C | 63.2 | Low | 63.6 | Low | 87 Ų | 87 | 139.5 Ų | 139.5 | 59% | 0.588 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -62.4 | -41.8 | 173.7 | -71.3 | 0 | 0 | 0 | 0 | 111.8 | R294 T300 A301 T302 | R294-C298 PolarHBondContact O-N 3.18Å; R294-C298 PolarHBondContact O-SG 3.33Å; C298-T300 VanDerWaalsContact C-N 3.34Å; C298-T300 PolarHBondContact O-N 3.39Å; C298-A301 PolarHBondContact O-N 3.31Å; C298-T302 PolarHBondContact O-N 3Å; C298-T302 PolarHBondContact O-OG1 3.28Å |
| 299 | R | 59.1 | Low | 61.9 | Low | 196 Ų | 196 | 141 Ų | 141 | 74% | 0.74 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -64.5 | -33.6 | 176.3 | -78 | -179.1 | 169.1 | -179.4 | -4.4 | 113.5 | R295 R296 T302 | R295-R299 WeakPolarHBondContact O-CG 3.47Å; R295-R299 PolarHBondContact O-N 2.89Å; R295-R299 VanDerWaalsContact O-N 3.11Å; R296-R299 PolarHBondContact O-N 2.91Å; R299-T302 PolarHBondContact O-OG1 3.24Å |
| 300 | T | 59 | Low | 60.3 | Low | 96 Ų | 96 | 146.6 Ų | 146.6 | 59% | 0.589 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -79.8 | -24.8 | 175.7 | 48.2 | 0 | 0 | 0 | 0 | 113.3 | R296 R297 C298 | R296-T300 PolarHBondContact O-N 2.9Å; R296-T300 PolarHBondContact O-OG1 2.92Å; R297-T300 WeakPolarHBondContact CA-OG1 3.47Å; R297-T300 PolarHBondContact O-N 3.43Å; R297-T300 PolarHBondContact O-OG1 3.43Å; C298-T300 VanDerWaalsContact C-N 3.34Å; C298-T300 PolarHBondContact O-N 3.39Å |
| 301 | A | 58.4 | Low | 58.8 | Low | 75 Ų | 75 | 148.4 Ų | 148.4 | 62% | 0.62 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -75.2 | -28.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | R297 C298 L303 | R297-A301 WeakPolarHBondContact O-CB 3.42Å; R297-A301 PolarHBondContact O-N 3.26Å; C298-A301 PolarHBondContact O-N 3.31Å; A301-L303 PolarHBondContact O-N 3.34Å |
| 302 | T | 56.2 | Low | 57.4 | Low | 120 Ų | 120 | 147.5 Ų | 147.5 | 74% | 0.736 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | -1.1 | 175.4 | 44.6 | 0 | 0 | 0 | 0 | 114.5 | C298 R299 | C298-T302 PolarHBondContact O-N 3Å; C298-T302 PolarHBondContact O-OG1 3.28Å; R299-T302 PolarHBondContact O-OG1 3.24Å |
| 303 | L | 56.5 | Low | 56.2 | Low | 145 Ų | 145 | 150 Ų | 150 | 76% | 0.759 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.8 | 9.5 | -172.9 | -100.1 | 151.1 | 0 | 0 | 0 | 114.3 | A301 | A301-L303 PolarHBondContact O-N 3.34Š|
| 304 | R | 46.4 | Very low | 54.6 | Low | 227 Ų | 227 | 149.2 Ų | 149.2 | 86% | 0.857 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -102.3 | 126.2 | 175.6 | -106.9 | -178.2 | 178.2 | 174.7 | -0.5 | 111.5 | ||
| 305 | P | 51.2 | Low | 53.6 | Low | 109 Ų | 109 | 145.1 Ų | 145.1 | 71% | 0.708 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 150.8 | 175.5 | 29.7 | -32.4 | 0 | 0 | 0 | 110.8 | R307 | P305-R307 PolarHBondContact O-N 3.47Š|
| 306 | P | 50.3 | Low | 52.3 | Low | 130 Ų | 130 | 143.1 Ų | 143.1 | 84% | 0.844 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -66 | 132.4 | 178.9 | 26.9 | -31.6 | 0 | 0 | 0 | 110.2 | ||
| 307 | R | 46.3 | Very low | 51.6 | Low | 241 Ų | 241 | 138.7 Ų | 138.7 | 91% | 0.909 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 141.3 | 168 | -87.7 | -176.5 | 174.4 | 168.8 | -4.4 | 109.8 | P305 | P305-R307 PolarHBondContact O-N 3.47Š|
| 308 | P | 48.8 | Very low | 50.5 | Low | 112 Ų | 112 | 138.2 Ų | 138.2 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 158.4 | 179.8 | 29.8 | -33.7 | 0 | 0 | 0 | 112 | ||
| 309 | P | 46.2 | Very low | 49.3 | Very low | 122 Ų | 122 | 137.9 Ų | 137.9 | 79% | 0.792 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 131.9 | -175.7 | 31.9 | -31.5 | 0 | 0 | 0 | 110.7 | ||
| 310 | D | 44.5 | Very low | 48.3 | Very low | 161 Ų | 161 | 134.2 Ų | 134.2 | 86% | 0.861 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 144 | 162.8 | -86.5 | -35 | 0 | 0 | 0 | 110.6 | ||
| 311 | P | 47.3 | Very low | 47.4 | Very low | 114 Ų | 114 | 134.4 Ų | 134.4 | 74% | 0.74 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 126 | -164.1 | 15.4 | 4.6 | 0 | 0 | 0 | 111.9 | ||
| 312 | N | 47.7 | Very low | 46.5 | Very low | 160 Ų | 160 | 136.4 Ų | 136.4 | 86% | 0.856 | 79% | 0.792 | S | S | * | * | trans | 77.9 | 140.1 | 141.8 | -98.4 | 9 | 0 | 0 | 0 | 122.5 | ||||
| 313 | P | 49.8 | Very low | 46.3 | Very low | 100 Ų | 100 | 136.7 Ų | 136.7 | 65% | 0.649 | 80% | 0.796 | S | S | * | * | trans | -91.7 | 163.3 | -179 | 41 | -32.8 | 0 | 0 | 0 | 110.3 | ||||
| 314 | D | 40.3 | Very low | 45.4 | Very low | 162 Ų | 162 | 134.5 Ų | 134.5 | 87% | 0.866 | 80% | 0.799 | S | S | * | * | trans | -106 | 152.2 | 156.8 | -93.9 | -30.4 | 0 | 0 | 0 | 110.6 | ||||
| 315 | P | 50.6 | Low | 45 | Very low | 110 Ų | 110 | 131 Ų | 131 | 71% | 0.714 | 80% | 0.797 | S | S | * | * | trans | -105.6 | 163.6 | -150.9 | 12.1 | 11.3 | 0 | 0 | 0 | 113.8 | ||||
| 316 | D | 43 | Very low | 44.9 | Very low | 154 Ų | 154 | 131.5 Ų | 131.5 | 82% | 0.824 | 80% | 0.8 | S | S | * | * | trans | -37.5 | -178.8 | 160.7 | -64.3 | -49.6 | 0 | 0 | 0 | 115.3 | ||||
| 317 | P | 53.2 | Low | 44.2 | Very low | 97 Ų | 97 | 128.9 Ų | 128.9 | 63% | 0.63 | 80% | 0.797 | S | S | * | * | cis | -150.8 | 177.5 | 18.6 | 21.1 | 9.3 | 0 | 0 | 0 | 118.1 | ||||
| 318 | H | 42.1 | Very low | 44.3 | Very low | 184 Ų | 184 | 123.2 Ų | 123.2 | 85% | 0.852 | 79% | 0.794 | S | S | * | * | trans | 127 | 125.2 | 137.4 | -68.5 | -61.8 | 0 | 0 | 0 | 115.9 | ||||
| 319 | G | 38.6 | Very low | 44.8 | Very low | 81 Ų | 81 | 123.9 Ų | 123.9 | 84% | 0.835 | 80% | 0.799 | S | S | * | * | trans | 158.8 | 43.1 | 165.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 320 | S | 38.7 | Very low | 44.6 | Very low | 119 Ų | 119 | 122.7 Ų | 122.7 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | trans | -64.8 | 135.2 | 173 | 42.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 321 | A | 38.5 | Very low | 44.4 | Very low | 100 Ų | 100 | 120 Ų | 120 | 83% | 0.826 | 80% | 0.799 | S | S | * | * | trans | -168.5 | 109.7 | 140.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 322 | S | 41.3 | Very low | 44.2 | Very low | 117 Ų | 117 | 119 Ų | 119 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -81.4 | 161.7 | 151.1 | -62.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 323 | P | 50.3 | Low | 44.1 | Very low | 126 Ų | 126 | 115.8 Ų | 115.8 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | -148.4 | 159.3 | 92 | 35.4 | -16.9 | 0 | 0 | 0 | 116.6 | |||||
| 324 | A | 37.9 | Very low | 43.8 | Very low | 98 Ų | 98 | 120 Ų | 120 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | trans | 69.4 | 112.6 | 142.1 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 325 | D | 39.5 | Very low | 44.2 | Very low | 155 Ų | 155 | 120.7 Ų | 120.7 | 83% | 0.829 | 84% | 0.835 | S | S | * | * | trans | -51.8 | -177.5 | 147.1 | -101.9 | -28.1 | 0 | 0 | 0 | 114.5 | ||||
| 326 | P | 49.1 | Very low | 43.8 | Very low | 119 Ų | 119 | 121.2 Ų | 121.2 | 77% | 0.773 | 84% | 0.841 | S | S | * | * | cis | -133.9 | 170.6 | -36.5 | 34.9 | -17.4 | 0 | 0 | 0 | 111.6 | ||||
| 327 | G | 35.6 | Very low | 43.9 | Very low | 75 Ų | 75 | 119.5 Ų | 119.5 | 77% | 0.773 | 84% | 0.842 | S | S | * | * | trans | -162 | 83.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 328 | S | 48.1 | Very low | 43.4 | Very low | 122 Ų | 122 | 120.7 Ų | 120.7 | 85% | 0.853 | 85% | 0.854 | S | S | * | * | trans | -76.2 | 151.5 | 156.9 | -64.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 329 | P | 58.8 | Low | 43.5 | Very low | 126 Ų | 126 | 117 Ų | 117 | 82% | 0.818 | 85% | 0.854 | S | S | * | * | trans | -118 | 130.6 | 140.3 | 32.2 | -22.6 | 0 | 0 | 0 | 110.9 | ||||
| 330 | A | 41.6 | Very low | 43.8 | Very low | 96 Ų | 96 | 119.3 Ų | 119.3 | 79% | 0.793 | 86% | 0.855 | S | S | * | * | trans | -81.8 | 162.9 | 152.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 331 | A | 40.9 | Very low | 44.1 | Very low | 105 Ų | 105 | 119.3 Ų | 119.3 | 87% | 0.868 | 86% | 0.857 | S | S | * | * | trans | 115.6 | 131.5 | 151.7 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 332 | A | 43.2 | Very low | 44.5 | Very low | 92 Ų | 92 | 120.6 Ų | 120.6 | 76% | 0.76 | 86% | 0.859 | S | S | * | * | trans | 118.3 | 96.9 | 158.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 333 | A | 44.1 | Very low | 44.7 | Very low | 94 Ų | 94 | 120.9 Ų | 120.9 | 78% | 0.777 | 86% | 0.862 | S | S | * | * | cis | 52.6 | 97.6 | 49.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 334 | Q | 45.4 | Very low | 44.3 | Very low | 188 Ų | 188 | 120.5 Ų | 120.5 | 88% | 0.879 | 87% | 0.866 | S | S | * | * | trans | -170.7 | 108.1 | 149.9 | -99.3 | 160.7 | 39.8 | 0 | 0 | 104.6 | ||||
| 335 | A | 47.2 | Very low | 44.9 | Very low | 176 Ų | 176 | 122.5 Ų | 122.5 | 100% | 1.455 | 87% | 0.871 | S | S | * | * | 91.8 | 0 | 88.3 | 0 | 0 | 0 | 0 | 0 | 110.3 |
Retrieved 335 of 335 residues in 73.9 ms
(Link to these results)