| 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 | 41.3 | Very low | 39.2 | Very low | 245 Ų | 245 | 150.4 Ų | 150.4 | 100% | 1.207 | 79% | 0.785 | S | S | * | * | 0 | 83.9 | 0 | -139.7 | 159.5 | 76.7 | 0 | 0 | 107.8 | |||||
| 2 | V | 41.7 | Very low | 39.4 | Very low | 135 Ų | 135 | 158.8 Ų | 158.8 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | -150.8 | 99.6 | 179.6 | 176.9 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 3 | M | 31.9 | Very low | 40 | Very low | 149 Ų | 149 | 157.5 Ų | 157.5 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | 66.2 | 110.7 | 102.2 | -72.3 | -146 | 128.3 | 0 | 0 | 112.6 | |||||
| 4 | Q | 32.5 | Very low | 40.1 | Very low | 148 Ų | 148 | 158.2 Ų | 158.2 | 69% | 0.692 | 80% | 0.797 | S | S | * | * | 124.9 | 150.2 | 90 | -95.4 | 176.7 | -7.1 | 0 | 0 | 104.8 | |||||
| 5 | Q | 38 | Very low | 40.4 | Very low | 140 Ų | 140 | 152.9 Ų | 152.9 | 65% | 0.654 | 80% | 0.799 | S | S | * | * | cis | -161.2 | 130.1 | 26 | -164.8 | 98.6 | -33.8 | 0 | 0 | 106.4 | V7 | Q5-V7 HydrophobicContact CG-CG2 3.85Š| ||
| 6 | L | 41.4 | Very low | 40.4 | Very low | 173 Ų | 173 | 151.6 Ų | 151.6 | 91% | 0.906 | 80% | 0.799 | S | S | * | * | trans | -94.3 | 111.9 | 168.6 | -159.7 | 90.5 | 0 | 0 | 0 | 106.9 | ||||
| 7 | V | 46.4 | Very low | 40.4 | Very low | 105 Ų | 105 | 156.9 Ų | 156.9 | 64% | 0.636 | 81% | 0.806 | S | S | * | * | trans | -108.4 | 105 | 172.3 | -176.7 | 0 | 0 | 0 | 0 | 108.3 | Q5 L9 | Q5-V7 HydrophobicContact CG-CG2 3.85Å; V7-L9 HydrophobicContact CG1-CD1 4Å; V7-L9 HydrophobicContact CG1-CG 4.43Å | ||
| 8 | S | 40.8 | Very low | 40 | Very low | 98 Ų | 98 | 153.8 Ų | 153.8 | 69% | 0.685 | 80% | 0.8 | S | S | * | * | trans | -82 | 118.6 | 164 | 58.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 9 | L | 39.6 | Very low | 39.8 | Very low | 162 Ų | 162 | 151.5 Ų | 151.5 | 85% | 0.848 | 80% | 0.799 | S | S | * | * | trans | -99.6 | 91.1 | 167.5 | -91.5 | 129.2 | 0 | 0 | 0 | 108.1 | V7 | V7-L9 HydrophobicContact CG1-CD1 4Å; V7-L9 HydrophobicContact CG1-CG 4.43Å | ||
| 10 | S | 38.2 | Very low | 39.4 | Very low | 101 Ų | 101 | 149.9 Ų | 149.9 | 71% | 0.706 | 80% | 0.795 | S | S | * | * | trans | -85.5 | 132.6 | 168.8 | -67.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 11 | R | 38.8 | Very low | 39.5 | Very low | 198 Ų | 198 | 152.6 Ų | 152.6 | 75% | 0.747 | 80% | 0.8 | S | S | * | * | trans | 76.5 | 92.7 | 137.4 | -155.3 | 171.9 | -155.5 | -127.2 | 0.7 | 117.7 | ||||
| 12 | W | 41.8 | Very low | 39.3 | Very low | 251 Ų | 251 | 148.6 Ų | 148.6 | 95% | 0.951 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 117.8 | 151.3 | -83.1 | 63.6 | 0 | 0 | 0 | 109.2 | ||
| 13 | M | 47.3 | Very low | 39.3 | Very low | 142 Ų | 142 | 149.9 Ų | 149.9 | 70% | 0.7 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 140.8 | 173.9 | -80 | -171.2 | 169.8 | 0 | 0 | 111.1 | G15 | M13-G15 PolarHBondContact O-N 2.71Š|
| 14 | L | 41.7 | Very low | 39.6 | Very low | 168 Ų | 168 | 147.9 Ų | 147.9 | 88% | 0.88 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 126 | 163.4 | -85.5 | 74.6 | 0 | 0 | 0 | 110.3 | ||
| 15 | G | 44.4 | Very low | 39.8 | Very low | 79 Ų | 79 | 147.1 Ų | 147.1 | 81% | 0.814 | 79% | 0.789 | S | S | * | * | trans | -120.8 | 112.1 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | M13 | M13-G15 PolarHBondContact O-N 2.71Š| ||
| 16 | T | 40.7 | Very low | 39.7 | Very low | 132 Ų | 132 | 144.8 Ų | 144.8 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | trans | -84.1 | 138 | 179 | 32.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 17 | R | 41.1 | Very low | 39.6 | Very low | 241 Ų | 241 | 144.2 Ų | 144.2 | 91% | 0.909 | 79% | 0.786 | S | S | * | * | trans | 158.6 | 137.3 | 153.8 | -96.4 | 174.3 | 175.1 | -133.4 | 0.5 | 106.6 | ||||
| 18 | S | 33 | Very low | 39.2 | Very low | 101 Ų | 101 | 147 Ų | 147 | 71% | 0.706 | 80% | 0.795 | S | S | * | * | cis | 175.7 | 149 | -3 | 37.4 | 0 | 0 | 0 | 0 | 106 | ||||
| 19 | S | 36 | Very low | 39.2 | Very low | 111 Ų | 111 | 147.3 Ų | 147.3 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | trans | 82.4 | 90.6 | 152.6 | -144.3 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 20 | V | 32.3 | Very low | 39.4 | Very low | 119 Ų | 119 | 147.6 Ų | 147.6 | 72% | 0.721 | 79% | 0.79 | S | S | * | * | 23.1 | 117 | 121.2 | -170.6 | 0 | 0 | 0 | 0 | 117.7 | M22 | V20-M22 HydrophobicContact CG1-CG 4.4Š| |||
| 21 | K | 39.9 | Very low | 39.6 | Very low | 206 Ų | 206 | 151.2 Ų | 151.2 | 90% | 0.896 | 80% | 0.801 | S | S | * | * | trans | -139.4 | 106.3 | 135.3 | -72.7 | -168.2 | -179.3 | 173.8 | 0 | 109.8 | ||||
| 22 | M | 38.1 | Very low | 39.6 | Very low | 162 Ų | 162 | 147.2 Ų | 147.2 | 80% | 0.798 | 80% | 0.802 | S | S | * | * | trans | -64.7 | 128.8 | 163.3 | -69.9 | -93.9 | -81.2 | 0 | 0 | 108.8 | V20 | V20-M22 HydrophobicContact CG1-CG 4.4Š| ||
| 23 | L | 42 | Very low | 39.4 | Very low | 161 Ų | 161 | 138.5 Ų | 138.5 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | trans | -118.4 | 106.1 | 159.8 | -86.4 | 163.9 | 0 | 0 | 0 | 106.9 | C25 | L23-C25 PolarHBondContact O-N 3.21Š| ||
| 24 | P | 38.4 | Very low | 39.1 | Very low | 107 Ų | 107 | 138.2 Ų | 138.2 | 70% | 0.695 | 79% | 0.791 | S | S | * | * | trans | -84.8 | 103 | 172.4 | 32.2 | -25.3 | 0 | 0 | 0 | 107.8 | S26 | P24-S26 VanDerWaalsContact C-N 3.35Å; P24-S26 PolarHBondContact O-N 2.94Å | ||
| 25 | C | 35.9 | Very low | 39.1 | Very low | 132 Ų | 132 | 135.8 Ų | 135.8 | 89% | 0.892 | 79% | 0.788 | S | S | * | * | trans | -92.6 | 79 | 160.8 | -83.5 | 0 | 0 | 0 | 0 | 107.9 | L23 | L23-C25 PolarHBondContact O-N 3.21Š| ||
| 26 | S | 36.2 | Very low | 38.8 | Very low | 92 Ų | 92 | 137.3 Ų | 137.3 | 64% | 0.643 | 79% | 0.785 | S | S | * | * | trans | -76.3 | 137.8 | 157 | 48.3 | 0 | 0 | 0 | 0 | 108.5 | P24 | P24-S26 VanDerWaalsContact C-N 3.35Å; P24-S26 PolarHBondContact O-N 2.94Å | ||
| 27 | L | 39.6 | Very low | 38.9 | Very low | 161 Ų | 161 | 134.3 Ų | 134.3 | 84% | 0.843 | 78% | 0.781 | S | S | * | * | trans | 69 | 95.6 | 175.2 | -62.3 | 111.6 | 0 | 0 | 0 | 116.4 | ||||
| 28 | I | 36.9 | Very low | 39.4 | Very low | 162 Ų | 162 | 134.2 Ų | 134.2 | 83% | 0.831 | 78% | 0.78 | S | S | * | * | trans | -159.8 | 109.6 | 132.5 | -92.3 | 144.5 | 0 | 0 | 0 | 108.6 | ||||
| 29 | T | 41.3 | Very low | 40.4 | Very low | 106 Ų | 106 | 136.7 Ų | 136.7 | 65% | 0.65 | 79% | 0.785 | S | S | * | * | trans | 55.1 | 109 | 149.4 | 53.8 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 30 | Q | 43.2 | Very low | 41.7 | Very low | 167 Ų | 167 | 134 Ų | 134 | 78% | 0.78 | 76% | 0.762 | S | S | * | * | 58.3 | 104.1 | 115.8 | -64.3 | 176.7 | -6.3 | 0 | 0 | 118.5 | C32 | Q30-C32 VanDerWaalsContact C-N 3.29Å; Q30-C32 PolarHBondContact O-N 3.19Å | |||
| 31 | L | 43.1 | Very low | 43.7 | Very low | 178 Ų | 178 | 134 Ų | 134 | 93% | 0.932 | 76% | 0.757 | S | S | * | * | 41.1 | 41.2 | 122.3 | -88.8 | 122.6 | 0 | 0 | 0 | 118.3 | G33 | L31-G33 VanDerWaalsContact C-N 3.25Å; L31-G33 PolarHBondContact O-N 2.81Å | |||
| 32 | C | 38.4 | Very low | 45.4 | Very low | 113 Ų | 113 | 126.1 Ų | 126.1 | 76% | 0.764 | 73% | 0.726 | S | S | * | * | trans | -84.9 | 87.5 | 142.8 | -84.5 | 0 | 0 | 0 | 0 | 106.1 | Q30 N34 | Q30-C32 VanDerWaalsContact C-N 3.29Å; Q30-C32 PolarHBondContact O-N 3.19Å; C32-N34 PolarHBondContact O-N 2.76Å | ||
| 33 | G | 37.1 | Very low | 47.1 | Very low | 68 Ų | 68 | 125.6 Ų | 125.6 | 70% | 0.701 | 72% | 0.715 | S | S | * | * | trans | -58.4 | 88 | 164.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | L31 S35 | L31-G33 VanDerWaalsContact C-N 3.25Å; L31-G33 PolarHBondContact O-N 2.81Å; G33-S35 PolarHBondContact O-N 3.32Å | ||
| 34 | N | 41.2 | Very low | 48.4 | Very low | 137 Ų | 137 | 125.6 Ų | 125.6 | 73% | 0.733 | 71% | 0.705 | S | S | * | * | trans | -59.4 | 96.9 | 153.5 | -73.1 | -14.7 | 0 | 0 | 0 | 103.6 | C32 C36 | C32-N34 PolarHBondContact O-N 2.76Å; N34-C36 PolarHBondContact O-N 3.29Å; N34-C36 PolarHBondContact O-SG 2.9Å | ||
| 35 | S | 42.8 | Very low | 49.7 | Very low | 117 Ų | 117 | 123.8 Ų | 123.8 | 82% | 0.818 | 69% | 0.689 | S | S | * | * | trans | -61.2 | 83.7 | 159 | 45.2 | 0 | 0 | 0 | 0 | 105.4 | G33 G37 | G33-S35 PolarHBondContact O-N 3.32Å; S35-G37 PolarHBondContact O-N 2.86Å | ||
| 36 | C | 38.2 | Very low | 50.6 | Low | 110 Ų | 110 | 127.4 Ų | 127.4 | 74% | 0.743 | 68% | 0.684 | S | S | * | * | trans | -42.2 | 122.7 | 174.3 | -62.8 | 0 | 0 | 0 | 0 | 107.3 | N34 R38 | N34-C36 PolarHBondContact O-N 3.29Å; N34-C36 PolarHBondContact O-SG 2.9Å; C36-R38 PolarHBondContact O-N 3.4Å | ||
| 37 | G | 42.4 | Very low | 51.5 | Low | 70 Ų | 70 | 124.7 Ų | 124.7 | 72% | 0.722 | 66% | 0.662 | S | S | * | * | trans | -37.8 | 107.3 | -170.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | S35 L39 | S35-G37 PolarHBondContact O-N 2.86Å; G37-L39 PolarHBondContact O-N 3.49Å | ||
| 38 | R | 52.3 | Low | 52.2 | Low | 238 Ų | 238 | 120.7 Ų | 120.7 | 90% | 0.898 | 64% | 0.644 | S | S | * | * | trans | -55.5 | 109.6 | 171.6 | -167.1 | 171.6 | -173.7 | 162.4 | -0 | 105.5 | C36 D40 | C36-R38 PolarHBondContact O-N 3.4Å; R38-D40 PolarHBondContact O-N 3.29Å | ||
| 39 | L | 53.9 | Low | 53.2 | Low | 154 Ų | 154 | 122.9 Ų | 122.9 | 81% | 0.806 | 64% | 0.641 | S | S | * | * | trans | -51.9 | 117.1 | -176 | -65.9 | 170.2 | 0 | 0 | 0 | 107.9 | G37 L41 | G37-L39 PolarHBondContact O-N 3.49Å; L39-L41 PolarHBondContact O-N 3.07Å | ||
| 40 | D | 62.6 | Low | 53.6 | Low | 55 Ų | 55 | 124.9 Ų | 124.9 | 29% | 0.294 | 64% | 0.643 | S | S | . | * | trans | -54.8 | 112.1 | 173.3 | -73.3 | -50.8 | 0 | 0 | 0 | 106.8 | R38 V42 Y133 R161 | R38-D40 PolarHBondContact O-N 3.29Å; D40-V42 PolarHBondContact O-N 3.15Å; D40-Y133 HydrophobicContact CB-CD1 3.85Å; D40-Y133 HydrophobicContact CB-CE1 3.98Å; D40-R161 IonicContact OD1-NH1 2.67Å | ||
| 41 | L | 73.8 | Confident | 54.4 | Low | 119 Ų | 119 | 120.9 Ų | 120.9 | 62% | 0.623 | 63% | 0.625 | S | S | * | * | trans | -64.4 | 133.7 | -178.6 | -72.9 | 170.4 | 0 | 0 | 0 | 108.7 | L39 P132 Y133 | L39-L41 PolarHBondContact O-N 3.07Å; L41-P132 HydrophobicContact CB-CB 4.13Å; L41-P132 HydrophobicContact CB-CG 4.05Å; L41-P132 CarbonylContact O-C 3.55Å; L41-P132 WeakPolarHBondContact O-CA 3.49Å; L41-P132 VanDerWaalsContact O-CB 3.24Å; L41-P132 WeakPolarHBondContact O-CB 3.47Å; L41-Y133 PolarHBondContact O-N 3.25Å | ||
| 42 | V | 76.9 | Confident | 55 | Low | 39 Ų | 39 | 113.8 Ų | 113.8 | 24% | 0.236 | 59% | 0.587 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -95 | 126.4 | -179.7 | -164.6 | 0 | 0 | 0 | 0 | 109.3 | D40 Y44 Y133 L135 | D40-V42 PolarHBondContact O-N 3.15Å; V42-Y44 HydrophobicContact CB-CD2 4.25Å; V42-Y44 HydrophobicContact CB-CE1 4.45Å; V42-Y44 HydrophobicContact CB-CE2 3.82Å; V42-Y44 HydrophobicContact CG1-CD1 4.17Å; V42-Y44 HydrophobicContact CG1-CD2 4.31Å; V42-Y44 HydrophobicContact CG1-CE1 4.02Å; V42-Y44 HydrophobicContact CG1-CE2 4.16Å; V42-Y44 HydrophobicContact CG1-CG 4.31Å; V42-Y44 HydrophobicContact CG2-CE2 4.46Å; V42-Y133 HydrophobicContact CB-CE1 4.1Å; V42-Y133 HydrophobicContact CG1-CD2 4.41Å; V42-Y133 HydrophobicContact CG1-CE1 4.24Å; V42-Y133 HydrophobicContact CG1-CE2 3.79Å; V42-Y133 HydrophobicContact CG2-CD1 4.46Å; V42-Y133 HydrophobicContact CG2-CE1 3.5Å; V42-Y133 HydrophobicContact CG2-CE2 4.39Å; V42-Y133 VanDerWaalsContact CG2-CZ 3.43Å; V42-Y133 WeakPolarHBondContact CG2-OH 3.47Å; V42-L135 HydrophobicContact CG1-CB 3.58Å; V42-L135 HydrophobicContact CG1-CD2 4.14Å |
| 43 | R | 73.5 | Confident | 55.6 | Low | 152 Ų | 152 | 112.9 Ų | 112.9 | 57% | 0.574 | 57% | 0.574 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -86.8 | 105.6 | 157.5 | -81.1 | 174.9 | -172.1 | -136.9 | 5.6 | 108.2 | I45 P132 Y133 V134 L135 | R43-I45 PolarHBondContact O-N 3.46Å; R43-P132 HydrophobicContact CB-CB 4.49Å; R43-P132 HydrophobicContact CG-CB 3.72Å; R43-Y133 PolarHBondContact N-O 2.91Å; R43-V134 HydrophobicContact CB-CG2 4.48Å; R43-L135 PolarHBondContact O-N 3.5Å; R43-L135 VanDerWaalsContact O-N 3.13Å |
| 44 | Y | 68.1 | Low | 56.5 | Low | 160 Ų | 160 | 114.7 Ų | 114.7 | 63% | 0.627 | 57% | 0.568 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -74.5 | 117.5 | 173.6 | -66.3 | -82.5 | 0 | 0 | 0 | 109.6 | V42 L135 | V42-Y44 HydrophobicContact CB-CD2 4.25Å; V42-Y44 HydrophobicContact CB-CE1 4.45Å; V42-Y44 HydrophobicContact CB-CE2 3.82Å; V42-Y44 HydrophobicContact CG1-CD1 4.17Å; V42-Y44 HydrophobicContact CG1-CD2 4.31Å; V42-Y44 HydrophobicContact CG1-CE1 4.02Å; V42-Y44 HydrophobicContact CG1-CE2 4.16Å; V42-Y44 HydrophobicContact CG1-CG 4.31Å; V42-Y44 HydrophobicContact CG2-CE2 4.46Å; Y44-L135 HydrophobicContact CD1-CD2 4.15Å; Y44-L135 HydrophobicContact CE1-CD2 3.98Å |
| 45 | I | 66 | Low | 57.3 | Low | 69 Ų | 69 | 112 Ų | 112 | 35% | 0.354 | 55% | 0.553 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.9 | 104.9 | 162.5 | -56.8 | -178.7 | 0 | 0 | 0 | 105.6 | R43 M47 V134 L135 | R43-I45 PolarHBondContact O-N 3.46Å; I45-M47 HydrophobicContact CG2-SD 4.42Å; I45-V134 HydrophobicContact CD1-CG1 3.51Å; I45-V134 HydrophobicContact CG1-CG1 4.09Å; I45-L135 PolarHBondContact N-O 2.77Å |
| 46 | R | 56.2 | Low | 57.9 | Low | 208 Ų | 208 | 115.3 Ų | 115.3 | 79% | 0.785 | 55% | 0.547 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 112.4 | 171.3 | -75.3 | -172.6 | 179.9 | -177.4 | 2.2 | 107.4 | ||
| 47 | M | 54.1 | Low | 58.3 | Low | 36 Ų | 36 | 114.6 Ų | 114.6 | 18% | 0.177 | 54% | 0.54 | C | S | . | . | trans | -79.1 | 133.1 | 175 | -65.7 | -81.7 | -74.8 | 0 | 0 | 110.4 | I45 E51 I55 W136 | I45-M47 HydrophobicContact CG2-SD 4.42Å; M47-E51 WeakPolarHBondContact CA-OE2 3.45Å; M47-E51 HydrophobicContact CE-CB 3.32Å; M47-E51 HydrophobicContact CE-CG 4.39Å; M47-E51 HydrophobicContact SD-CB 3.89Å; M47-E51 HydrophobicContact SD-CG 4.42Å; M47-I55 HydrophobicContact CE-CD1 3.66Å; M47-W136 HydrophobicContact CE-CE3 4.42Å; M47-W136 HydrophobicContact CE-CH2 3.01Å; M47-W136 HydrophobicContact CE-CZ2 3.94Å; M47-W136 HydrophobicContact CE-CZ3 3.3Å; M47-W136 HydrophobicContact CG-CD2 4.11Å; M47-W136 HydrophobicContact CG-CE3 3.64Å; M47-W136 HydrophobicContact CG-CH2 3.66Å; M47-W136 HydrophobicContact CG-CZ2 4.04Å; M47-W136 HydrophobicContact CG-CZ3 3.42Å; M47-W136 VanDerWaalsContact CG-CZ3 3.42Å; M47-W136 HydrophobicContact SD-CE3 4.29Å; M47-W136 HydrophobicContact SD-CH2 3.16Å; M47-W136 WeakPolarHBondContact SD-CH2 3.43Å; M47-W136 HydrophobicContact SD-CZ2 3.47Å; M47-W136 WeakPolarHBondContact SD-CZ2 3.41Å; M47-W136 HydrophobicContact SD-CZ3 3.6Å; M47-W136 VanDerWaalsContact SD-CZ3 3.6Å | ||
| 48 | T | 55.5 | Low | 58.8 | Low | 76 Ų | 76 | 116.6 Ų | 116.6 | 47% | 0.466 | 53% | 0.534 | S | S | . | . | trans | -81.8 | 168 | 170.8 | 68.9 | 0 | 0 | 0 | 0 | 110.6 | E50 E51 I52 | T48-E50 PolarHBondContact O-N 3.35Å; T48-E50 VanDerWaalsContact O-N 3.14Å; T48-E51 PolarHBondContact N-OE2 3.47Å; T48-E51 PolarHBondContact O-N 3.35Å; T48-I52 WeakPolarHBondContact O-CG1 3.37Å; T48-I52 PolarHBondContact O-N 3.45Å | ||
| 49 | R | 56.9 | Low | 58.8 | Low | 208 Ų | 208 | 110 Ų | 110 | 79% | 0.785 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -57.2 | -26.6 | 177.7 | -178.7 | -178.9 | 173.8 | -165.2 | -1.6 | 112.9 | I52 | R49-I52 WeakPolarHBondContact O-CB 3.5Å |
| 50 | E | 50.3 | Low | 58.8 | Low | 148 Ų | 148 | 108.3 Ų | 108.3 | 69% | 0.692 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -77.9 | -44.1 | -174.7 | -66.1 | 170.7 | -177.5 | 0 | 0 | 111.4 | T48 I52 L53 N54 | T48-E50 PolarHBondContact O-N 3.35Å; T48-E50 VanDerWaalsContact O-N 3.14Å; E50-I52 PolarHBondContact O-N 2.89Å; E50-I52 VanDerWaalsContact O-N 3.16Å; E50-L53 PolarHBondContact O-N 3.08Å; E50-N54 PolarHBondContact O-N 3.01Å |
| 51 | E | 58.4 | Low | 58.6 | Low | 83 Ų | 83 | 113.6 Ų | 113.6 | 39% | 0.388 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63 | -24.7 | 174.7 | -59.7 | 168 | 140.5 | 0 | 0 | 112 | M47 T48 N54 I55 | M47-E51 WeakPolarHBondContact CA-OE2 3.45Å; M47-E51 HydrophobicContact CE-CB 3.32Å; M47-E51 HydrophobicContact CE-CG 4.39Å; M47-E51 HydrophobicContact SD-CB 3.89Å; M47-E51 HydrophobicContact SD-CG 4.42Å; T48-E51 PolarHBondContact N-OE2 3.47Å; T48-E51 PolarHBondContact O-N 3.35Å; E51-N54 PolarHBondContact O-N 2.93Å; E51-I55 PolarHBondContact O-N 3.15Å |
| 52 | I | 55.8 | Low | 57.3 | Low | 29 Ų | 29 | 115.8 Ų | 115.8 | 15% | 0.149 | 56% | 0.559 | C | S | . | * | H | α-helix | trans | -67 | -36.4 | 174.2 | -67 | 172.9 | 0 | 0 | 0 | 112.7 | T48 R49 E50 N54 R138 | T48-I52 WeakPolarHBondContact O-CG1 3.37Å; T48-I52 PolarHBondContact O-N 3.45Å; R49-I52 WeakPolarHBondContact O-CB 3.5Å; E50-I52 PolarHBondContact O-N 2.89Å; E50-I52 VanDerWaalsContact O-N 3.16Å; I52-N54 VanDerWaalsContact C-N 3.33Å; I52-R138 HydrophobicContact CD1-CG 4.37Å |
| 53 | L | 51.2 | Low | 55.9 | Low | 94 Ų | 94 | 119.3 Ų | 119.3 | 49% | 0.492 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -71.7 | -34.4 | 179 | -66.9 | 176.3 | 0 | 0 | 0 | 110.5 | E50 R56 T57 | E50-L53 PolarHBondContact O-N 3.08Å; L53-R56 PolarHBondContact O-N 2.92Å; L53-T57 PolarHBondContact O-N 3.07Å; L53-T57 PolarHBondContact O-OG1 3.16Å |
| 54 | N | 57.1 | Low | 54.7 | Low | 107 Ų | 107 | 117 Ų | 117 | 57% | 0.572 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -69.8 | -35.3 | -176.2 | -67.4 | -0.4 | 0 | 0 | 0 | 113.7 | E50 E51 I52 R56 T57 D58 | E50-N54 PolarHBondContact O-N 3.01Å; E51-N54 PolarHBondContact O-N 2.93Å; I52-N54 VanDerWaalsContact C-N 3.33Å; N54-R56 PolarHBondContact O-N 2.89Å; N54-T57 WeakPolarHBondContact CA-OG1 3.5Å; N54-T57 CarbonylContact O-C 3.47Å; N54-T57 PolarHBondContact O-N 2.6Å; N54-T57 PolarHBondContact O-OG1 3.23Å; N54-D58 PolarHBondContact O-N 3.13Å |
| 55 | I | 58.1 | Low | 53.6 | Low | 79 Ų | 79 | 112.3 Ų | 112.3 | 41% | 0.405 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -64.4 | -29.6 | 175.3 | -62.3 | 167.5 | 0 | 0 | 0 | 111.8 | M47 E51 W136 | M47-I55 HydrophobicContact CE-CD1 3.66Å; E51-I55 PolarHBondContact O-N 3.15Å; I55-W136 HydrophobicContact CD1-CH2 3.89Å; I55-W136 HydrophobicContact CD1-CZ3 3.86Å |
| 56 | R | 55.5 | Low | 52.6 | Low | 187 Ų | 187 | 113.8 Ų | 113.8 | 71% | 0.706 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -74.6 | -21 | 175.6 | -69.7 | -177.7 | 171.8 | 178.3 | -2.8 | 112.1 | L53 N54 | L53-R56 PolarHBondContact O-N 2.92Å; N54-R56 PolarHBondContact O-N 2.89Å |
| 57 | T | 45.7 | Very low | 52.2 | Low | 96 Ų | 96 | 112.7 Ų | 112.7 | 59% | 0.589 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.8 | 27.9 | -179.4 | 56.3 | 0 | 0 | 0 | 0 | 111.8 | L53 N54 P59 | L53-T57 PolarHBondContact O-N 3.07Å; L53-T57 PolarHBondContact O-OG1 3.16Å; N54-T57 WeakPolarHBondContact CA-OG1 3.5Å; N54-T57 CarbonylContact O-C 3.47Å; N54-T57 PolarHBondContact O-N 2.6Å; N54-T57 PolarHBondContact O-OG1 3.23Å; T57-P59 WeakPolarHBondContact O-CD 3.17Å; T57-P59 VanDerWaalsContact O-N 3.12Å |
| 58 | D | 52.2 | Low | 51.9 | Low | 111 Ų | 111 | 119.7 Ų | 119.7 | 59% | 0.594 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -61.6 | 111.6 | 154 | -51.7 | -14.8 | 0 | 0 | 0 | 104.4 | N54 | N54-D58 PolarHBondContact O-N 3.13Š|
| 59 | P | 53.6 | Low | 51.6 | Low | 101 Ų | 101 | 122.8 Ų | 122.8 | 66% | 0.656 | 66% | 0.656 | S | S | * | * | trans | -55.7 | 138 | 178.6 | 23.1 | -31.6 | 0 | 0 | 0 | 107.5 | T57 L61 | T57-P59 WeakPolarHBondContact O-CD 3.17Å; T57-P59 VanDerWaalsContact O-N 3.12Å; P59-L61 PolarHBondContact O-N 3.34Å | ||
| 60 | P | 53.9 | Low | 51.1 | Low | 118 Ų | 118 | 119.6 Ų | 119.6 | 77% | 0.766 | 65% | 0.654 | S | S | * | * | trans | -51 | 122.1 | 169.9 | 21.2 | -29.8 | 0 | 0 | 0 | 105.9 | L62 | P60-L62 PolarHBondContact O-N 3.26Š| ||
| 61 | L | 57 | Low | 50.7 | Low | 166 Ų | 166 | 117.3 Ų | 117.3 | 87% | 0.869 | 65% | 0.654 | S | S | * | * | trans | -49 | 112.6 | 174.1 | -65.9 | -179.5 | 0 | 0 | 0 | 105.3 | P59 S63 | P59-L61 PolarHBondContact O-N 3.34Å; L61-S63 VanDerWaalsContact C-N 3.32Å; L61-S63 PolarHBondContact O-N 3.46Å | ||
| 62 | L | 46.5 | Very low | 50.1 | Low | 165 Ų | 165 | 121.4 Ų | 121.4 | 86% | 0.864 | 68% | 0.675 | S | S | * | * | trans | -52.7 | 107.7 | 174.4 | -90.9 | 154.5 | 0 | 0 | 0 | 105.1 | P60 S64 | P60-L62 PolarHBondContact O-N 3.26Å; L62-S64 PolarHBondContact O-N 3.38Å | ||
| 63 | S | 48.2 | Very low | 49.7 | Very low | 113 Ų | 113 | 122.8 Ų | 122.8 | 79% | 0.79 | 70% | 0.696 | S | S | * | * | trans | -69.1 | 71.5 | 171 | 172.2 | 0 | 0 | 0 | 0 | 107 | L61 G65 | L61-S63 VanDerWaalsContact C-N 3.32Å; L61-S63 PolarHBondContact O-N 3.46Å; S63-G65 PolarHBondContact O-N 3.3Å | ||
| 64 | S | 48.5 | Very low | 49.5 | Very low | 104 Ų | 104 | 126.6 Ų | 126.6 | 73% | 0.727 | 71% | 0.711 | S | S | * | * | trans | -70.2 | 84.2 | 146.6 | 58.2 | 0 | 0 | 0 | 0 | 105.1 | L62 S66 | L62-S64 PolarHBondContact O-N 3.38Å; S64-S66 PolarHBondContact O-N 3.27Å | ||
| 65 | G | 45.4 | Very low | 49.2 | Very low | 60 Ų | 60 | 127.3 Ų | 127.3 | 62% | 0.619 | 72% | 0.72 | S | S | * | * | trans | -59.6 | 89.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | S63 | S63-G65 PolarHBondContact O-N 3.3Š| ||
| 66 | S | 45.2 | Very low | 48.6 | Very low | 100 Ų | 100 | 129.3 Ų | 129.3 | 70% | 0.699 | 73% | 0.731 | S | S | * | * | trans | -83.4 | 104.1 | 142.8 | 54.6 | 0 | 0 | 0 | 0 | 103.9 | S64 F68 | S64-S66 PolarHBondContact O-N 3.27Å; S66-F68 PolarHBondContact O-N 3.02Å | ||
| 67 | E | 46.2 | Very low | 48.5 | Very low | 185 Ų | 185 | 125.4 Ų | 125.4 | 86% | 0.864 | 73% | 0.733 | S | S | * | * | trans | -57 | 99 | 168.1 | -58.5 | -154 | 147 | 0 | 0 | 106.5 | L69 | E67-L69 PolarHBondContact O-N 3.48Š| ||
| 68 | F | 49 | Very low | 48.6 | Very low | 183 Ų | 183 | 126 Ų | 126 | 80% | 0.803 | 74% | 0.741 | S | S | * | * | trans | -75.1 | 79.4 | 172.5 | -153.6 | -92.2 | 0 | 0 | 0 | 105.5 | S66 L70 | S66-F68 PolarHBondContact O-N 3.02Å; F68-L70 PolarHBondContact O-N 3.48Å | ||
| 69 | L | 48 | Very low | 48.4 | Very low | 142 Ų | 142 | 130.2 Ų | 130.2 | 74% | 0.743 | 75% | 0.754 | S | S | * | * | trans | -51.6 | 113.3 | 173 | -165.4 | 152.6 | 0 | 0 | 0 | 105.9 | E67 S71 | E67-L69 PolarHBondContact O-N 3.48Å; L69-S71 PolarHBondContact O-N 2.85Å | ||
| 70 | L | 46.4 | Very low | 48.4 | Very low | 141 Ų | 141 | 129.4 Ų | 129.4 | 74% | 0.738 | 76% | 0.755 | S | S | * | * | trans | -62.7 | 83.6 | 170 | -74.5 | 167.5 | 0 | 0 | 0 | 106.7 | F68 M72 | F68-L70 PolarHBondContact O-N 3.48Å; L70-M72 PolarHBondContact O-N 3.49Å | ||
| 71 | S | 43.2 | Very low | 48.4 | Very low | 99 Ų | 99 | 130.9 Ų | 130.9 | 69% | 0.692 | 76% | 0.756 | S | S | * | * | trans | -61 | 92.4 | 153.6 | 168.3 | 0 | 0 | 0 | 0 | 104.3 | L69 G73 | L69-S71 PolarHBondContact O-N 2.85Å; S71-G73 PolarHBondContact O-N 3.44Å | ||
| 72 | M | 45.9 | Very low | 48.4 | Very low | 169 Ų | 169 | 130.1 Ų | 130.1 | 83% | 0.833 | 75% | 0.753 | S | S | * | * | trans | -50.1 | 98.3 | 156.9 | -76.4 | -72.3 | 179.8 | 0 | 0 | 105.2 | L70 E74 | L70-M72 PolarHBondContact O-N 3.49Å; M72-E74 PolarHBondContact O-N 3.42Å | ||
| 73 | G | 46.5 | Very low | 49 | Very low | 58 Ų | 58 | 130.4 Ų | 130.4 | 60% | 0.598 | 75% | 0.747 | S | S | * | * | trans | -59.5 | 115.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 106.3 | S71 V75 | S71-G73 PolarHBondContact O-N 3.44Å; G73-V75 PolarHBondContact O-N 2.85Å | ||
| 74 | E | 46.9 | Very low | 49.9 | Very low | 174 Ų | 174 | 132.3 Ų | 132.3 | 81% | 0.813 | 75% | 0.753 | S | S | * | * | trans | -52.4 | 115.6 | 166.4 | -163 | 155.4 | 141.7 | 0 | 0 | 106.9 | M72 D76 | M72-E74 PolarHBondContact O-N 3.42Å; E74-D76 VanDerWaalsContact C-N 3.26Å; E74-D76 PolarHBondContact O-N 2.85Å | ||
| 75 | V | 51.3 | Low | 51.1 | Low | 123 Ų | 123 | 134.4 Ų | 134.4 | 75% | 0.745 | 75% | 0.752 | S | S | * | * | trans | -70 | 94.6 | 173.9 | 177.5 | 0 | 0 | 0 | 0 | 105.6 | G73 S77 | G73-V75 PolarHBondContact O-N 2.85Å; V75-S77 PolarHBondContact O-N 3.32Å; V75-S77 PolarHBondContact O-OG 3.09Å | ||
| 76 | D | 46.5 | Very low | 52.9 | Low | 121 Ų | 121 | 136.8 Ų | 136.8 | 65% | 0.647 | 76% | 0.759 | S | S | * | * | trans | -57.1 | 86.6 | 167.6 | -81.8 | -34.5 | 0 | 0 | 0 | 108.4 | E74 S78 | E74-D76 VanDerWaalsContact C-N 3.26Å; E74-D76 PolarHBondContact O-N 2.85Å; D76-S78 PolarHBondContact O-N 2.94Å | ||
| 77 | S | 52.6 | Low | 55 | Low | 105 Ų | 105 | 135.9 Ų | 135.9 | 73% | 0.734 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | 5.4 | 179.5 | -63.6 | 0 | 0 | 0 | 0 | 112.3 | V75 | V75-S77 PolarHBondContact O-N 3.32Å; V75-S77 PolarHBondContact O-OG 3.09Å |
| 78 | S | 47.3 | Very low | 57.2 | Low | 108 Ų | 108 | 130.1 Ų | 130.1 | 76% | 0.755 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.2 | 0.2 | -177 | 59.2 | 0 | 0 | 0 | 0 | 114.6 | D76 | D76-S78 PolarHBondContact O-N 2.94Š|
| 79 | K | 49.1 | Very low | 59.4 | Low | 200 Ų | 200 | 125.8 Ų | 125.8 | 87% | 0.87 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -93.1 | 10.7 | 175.8 | -122.9 | 177.2 | -169.9 | 172.7 | 0 | 115.6 | ||
| 80 | A | 53.6 | Low | 61.7 | Low | 83 Ų | 83 | 119.6 Ų | 119.6 | 69% | 0.686 | 68% | 0.675 | S | S | * | * | trans | -93.2 | 4.2 | -170.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 81 | L | 53.4 | Low | 64.1 | Low | 150 Ų | 150 | 119.5 Ų | 119.5 | 79% | 0.785 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -110.2 | 106.9 | 179.8 | -63.6 | -172.1 | 0 | 0 | 0 | 111.8 | ||
| 82 | N | 56.3 | Low | 66.6 | Low | 149 Ų | 149 | 115 Ų | 115 | 80% | 0.797 | 64% | 0.637 | S | S | * | * | S | Bend | trans | 81.3 | 63.6 | 159.5 | -46.6 | -36.5 | 0 | 0 | 0 | 117.4 | ||
| 83 | K | 58.5 | Low | 69.1 | Low | 172 Ų | 172 | 107 Ų | 107 | 75% | 0.748 | 60% | 0.598 | S | S | * | * | trans | -121.3 | 120.1 | 131.9 | -75.4 | -176.8 | -179.8 | 178.6 | 0 | 106.8 | E85 | K83-E85 HydrophobicContact CB-CG 3.76Å; K83-E85 PolarHBondContact O-N 3Å | ||
| 84 | V | 67.6 | Low | 71.5 | Confident | 152 Ų | 152 | 105 Ų | 105 | 92% | 0.921 | 57% | 0.574 | S | S | * | * | trans | -68.9 | 78.9 | 160.5 | -178.2 | 0 | 0 | 0 | 0 | 104.7 | S86 | V84-S86 PolarHBondContact O-N 2.83Š| ||
| 85 | E | 75.1 | Confident | 73.9 | Confident | 148 Ų | 148 | 96.7 Ų | 96.7 | 69% | 0.692 | 54% | 0.535 | S | S | * | . | P | Polyproline II helix | trans | -65.5 | 124 | 172.8 | -67.9 | -170 | 161.5 | 0 | 0 | 106.3 | K83 D87 | K83-E85 HydrophobicContact CB-CG 3.76Å; K83-E85 PolarHBondContact O-N 3Å; E85-D87 PolarHBondContact O-N 3.05Å |
| 86 | S | 81.3 | Confident | 76 | Confident | 110 Ų | 110 | 91.8 Ų | 91.8 | 77% | 0.769 | 50% | 0.504 | S | S | * | . | P | Polyproline II helix | trans | -60.8 | 120.6 | 174.3 | 51.2 | 0 | 0 | 0 | 0 | 108.5 | V84 T88 | V84-S86 PolarHBondContact O-N 2.83Å; S86-T88 PolarHBondContact O-N 3.47Å |
| 87 | D | 90 | Very high | 78.5 | Confident | 81 Ų | 81 | 86 Ų | 86 | 43% | 0.433 | 47% | 0.473 | S | S | . | . | P | Polyproline II helix | trans | -57.6 | 125.3 | 179.7 | -87.5 | -11.4 | 0 | 0 | 0 | 110.6 | E85 L89 S171 | E85-D87 PolarHBondContact O-N 3.05Å; D87-L89 PolarHBondContact O-N 2.82Å; D87-S171 PolarHBondContact OD2-OG 3.15Å |
| 88 | T | 92.2 | Very high | 80.6 | Confident | 64 Ų | 64 | 84.9 Ų | 84.9 | 39% | 0.393 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 134.9 | 169.3 | 65 | 0 | 0 | 0 | 0 | 108.7 | S86 S170 | S86-T88 PolarHBondContact O-N 3.47Å; T88-S170 PolarHBondContact O-N 3.14Å; T88-S170 WeakPolarHBondContact OG1-CB 3.39Å |
| 89 | L | 95.7 | Very high | 82.9 | Confident | 92 Ų | 92 | 79.9 Ų | 79.9 | 48% | 0.482 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 124.4 | -178.8 | -62.4 | 178.8 | 0 | 0 | 0 | 109.3 | D87 T169 I197 | D87-L89 PolarHBondContact O-N 2.82Å; L89-T169 HydrophobicContact CD2-CG2 4.09Å; L89-I197 HydrophobicContact CB-CB 4.35Å; L89-I197 HydrophobicContact CB-CD1 4.06Å; L89-I197 HydrophobicContact CB-CG1 4.47Å; L89-I197 PolarHBondContact O-N 2.96Å |
| 90 | Y | 96.9 | Very high | 85.1 | Confident | 13 Ų | 13 | 76.2 Ų | 76.2 | 5% | 0.051 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 124.8 | 173 | -61.8 | -68.7 | 0 | 0 | 0 | 110.3 | C92 I93 L168 S170 A173 K194 Q195 E196 | Y90-C92 VanDerWaalsContact C-N 3.35Å; Y90-I93 HydrophobicContact CD2-CD1 3.76Å; Y90-I93 HydrophobicContact CD2-CG1 4.31Å; Y90-I93 HydrophobicContact CE2-CD1 4.28Å; Y90-I93 HydrophobicContact CG-CD1 4.03Å; Y90-I93 HydrophobicContact CG-CG1 4.07Å; Y90-L168 PolarHBondContact N-O 3.01Å; Y90-L168 PolarHBondContact O-N 2.82Å; Y90-S170 PolarHBondContact OH-OG 3.09Å; Y90-A173 HydrophobicContact CD2-CB 4Å; Y90-A173 HydrophobicContact CE2-CB 3.99Å; Y90-K194 HydrophobicContact CD1-CB 3.99Å; Y90-K194 HydrophobicContact CE1-CB 3.7Å; Y90-K194 HydrophobicContact CE1-CD 3.92Å; Y90-K194 HydrophobicContact CE1-CG 4.2Å; Y90-Q195 CarbonylContact C-O 3.51Å; Y90-Q195 VanDerWaalsContact CA-O 3.3Å; Y90-Q195 WeakPolarHBondContact CA-O 3.33Å; Y90-E196 HydrophobicContact CD1-CB 4.37Å; Y90-E196 HydrophobicContact CD1-CG 3.43Å; Y90-E196 VanDerWaalsContact CD1-CG 3.43Å; Y90-E196 HydrophobicContact CE1-CG 3.24Å |
| 91 | K | 96.2 | Very high | 87.1 | Confident | 139 Ų | 139 | 76.2 Ų | 76.2 | 60% | 0.604 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.8 | -49.6 | 169.8 | -177.7 | 177.5 | 179.7 | 177.7 | 0 | 109.8 | R167 Q195 I197 | K91-R167 PolarHBondContact O-N 3.2Å; K91-R167 VanDerWaalsContact O-N 3.07Å; K91-Q195 PolarHBondContact N-O 2.81Å; K91-I197 HydrophobicContact CB-CD1 4.4Å; K91-I197 HydrophobicContact CB-CG1 3.84Å |
| 92 | C | 95.9 | Very high | 89 | Confident | 3 Ų | 3 | 76.3 Ų | 76.3 | 2% | 0.02 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 154.4 | 171.5 | 69 | 0 | 0 | 0 | 0 | 111.9 | Y90 V165 V166 Q195 | Y90-C92 VanDerWaalsContact C-N 3.35Å; C92-V165 CarbonylContact C-O 3.45Å; C92-V165 WeakPolarHBondContact CA-O 3.17Å; C92-V165 VanDerWaalsContact CB-O 3.27Å; C92-V165 WeakPolarHBondContact CB-O 3.27Å; C92-V166 HydrophobicContact CB-CG1 4.11Å; C92-Q195 WeakPolarHBondContact O-CB 3.22Å; C92-Q195 PolarHBondContact O-N 2.78Å; C92-Q195 PolarHBondContact SG-OE1 2.99Å |
| 93 | I | 97.3 | Very high | 90.9 | Very high | 2 Ų | 2 | 71.8 Ų | 71.8 | 1% | 0.01 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 126.2 | 170.2 | -58.1 | -178.4 | 0 | 0 | 0 | 107.2 | Y90 V165 L168 A173 L177 V192 I193 | Y90-I93 HydrophobicContact CD2-CD1 3.76Å; Y90-I93 HydrophobicContact CD2-CG1 4.31Å; Y90-I93 HydrophobicContact CE2-CD1 4.28Å; Y90-I93 HydrophobicContact CG-CD1 4.03Å; Y90-I93 HydrophobicContact CG-CG1 4.07Å; I93-V165 PolarHBondContact N-O 3.41Å; I93-V165 PolarHBondContact O-N 3.25Å; I93-L168 HydrophobicContact CD1-CB 4.43Å; I93-L168 HydrophobicContact CD1-CD1 3.86Å; I93-L168 HydrophobicContact CG1-CD1 4.47Å; I93-A173 HydrophobicContact CD1-CB 3.32Å; I93-L177 HydrophobicContact CG2-CD2 4.49Å; I93-V192 HydrophobicContact CG2-CG1 3.68Å; I93-I193 WeakPolarHBondContact CA-O 3.33Å |
| 94 | T | 96.9 | Very high | 92.8 | Very high | 15 Ų | 15 | 66 Ų | 66 | 9% | 0.092 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 118.7 | 177.4 | -54.2 | 0 | 0 | 0 | 0 | 109.5 | E96 I163 R164 I193 | T94-E96 HydrophobicContact CG2-CG 4.15Å; T94-I163 CarbonylContact C-O 3.53Å; T94-I163 WeakPolarHBondContact CA-O 3.34Å; T94-R164 HydrophobicContact CG2-CG 3.82Å; T94-I193 PolarHBondContact N-O 3.39Å; T94-I193 PolarHBondContact O-N 2.95Å |
| 95 | V | 97.3 | Very high | 94.1 | Very high | 1 Ų | 1 | 58.7 Ų | 58.7 | 1% | 0.006 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 108.6 | 173.3 | -175.3 | 0 | 0 | 0 | 0 | 107.9 | M97 R162 I163 L177 | V95-M97 HydrophobicContact CG1-CG 4.07Å; V95-M97 HydrophobicContact CG1-SD 4.37Å; V95-R162 WeakPolarHBondContact O-CA 3.49Å; V95-I163 PolarHBondContact N-O 3Å; V95-I163 PolarHBondContact O-N 3.45Å; V95-L177 HydrophobicContact CG2-CD2 4.08Å |
| 96 | E | 96.8 | Very high | 95.1 | Very high | 19 Ų | 19 | 53.9 Ų | 53.9 | 9% | 0.089 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 123.8 | 173.4 | -52.2 | -164.7 | 124.5 | 0 | 0 | 110 | T94 R161 R162 A190 R191 I193 | T94-E96 HydrophobicContact CG2-CG 4.15Å; E96-R161 CarbonylContact C-O 3.58Å; E96-R161 WeakPolarHBondContact CA-O 3.15Å; E96-R162 HydrophobicContact CB-CG 4.45Å; E96-R162 HydrophobicContact CG-CG 4.11Å; E96-R162 IonicContact OE1-CZ 3.69Å; E96-R162 IonicContact OE1-NE 3.49Å; E96-R162 PolarHBondContact OE1-NE 2.92Å; E96-R162 IonicContact OE1-NH2 3.52Å; E96-R162 PolarHBondContact OE1-NH2 3.39Å; E96-A190 CarbonylContact O-C 3.56Å; E96-A190 WeakPolarHBondContact O-CA 3.34Å; E96-R191 HydrophobicContact CB-CB 4.35Å; E96-R191 PolarHBondContact N-O 2.82Å; E96-R191 PolarHBondContact O-N 3.13Å; E96-R191 IonicContact OE2-NH1 2.95Å; E96-I193 HydrophobicContact CG-CD1 4.22Å |
| 97 | M | 97.3 | Very high | 95.9 | Very high | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 138.4 | -180 | -55.5 | 170.4 | -58.9 | 0 | 0 | 109.1 | V95 L105 Y108 R160 R161 I163 V188 A189 | V95-M97 HydrophobicContact CG1-CG 4.07Å; V95-M97 HydrophobicContact CG1-SD 4.37Å; M97-L105 HydrophobicContact CB-CD2 4.08Å; M97-Y108 HydrophobicContact CE-CD1 4.25Å; M97-Y108 HydrophobicContact SD-CD1 3.31Å; M97-Y108 WeakPolarHBondContact SD-CD1 3.38Å; M97-Y108 HydrophobicContact SD-CE1 3.36Å; M97-Y108 WeakPolarHBondContact SD-CE1 3.3Å; M97-R160 CarbonylContact O-C 3.44Å; M97-R160 VanDerWaalsContact O-CA 3.24Å; M97-R160 WeakPolarHBondContact O-CA 3.23Å; M97-R161 HydrophobicContact CB-CB 4.38Å; M97-R161 HydrophobicContact CE-CB 3.46Å; M97-R161 VanDerWaalsContact CE-CB 3.46Å; M97-R161 HydrophobicContact CE-CG 4.35Å; M97-R161 PolarHBondContact N-O 2.67Å; M97-R161 PolarHBondContact O-N 2.96Å; M97-I163 HydrophobicContact CE-CD1 3.73Å; M97-I163 HydrophobicContact CE-CG1 4.18Å; M97-V188 HydrophobicContact CB-CG1 4.24Å; M97-A189 CarbonylContact C-O 3.44Å; M97-A189 WeakPolarHBondContact CA-O 3.16Å |
| 98 | K | 96.7 | Very high | 96.3 | Very high | 80 Ų | 80 | 49.3 Ų | 49.3 | 35% | 0.348 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 134.1 | 179.7 | -60.8 | -179.2 | -178.5 | 166.4 | 0 | 109.3 | T158 Y159 R160 V188 A189 | K98-T158 HydrophobicContact CB-CG2 4.25Å; K98-Y159 WeakPolarHBondContact CA-O 3.4Å; K98-R160 HydrophobicContact CG-CG 4.23Å; K98-V188 CarbonylContact O-C 3.57Å; K98-V188 WeakPolarHBondContact O-CA 3.36Å; K98-V188 WeakPolarHBondContact O-CG1 3.18Å; K98-A189 PolarHBondContact N-O 2.93Å; K98-A189 PolarHBondContact O-N 2.91Å |
| 99 | G | 96.3 | Very high | 96.4 | Very high | 4 Ų | 4 | 47 Ų | 47 | 4% | 0.041 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.2 | 166.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y159 | G99-Y159 PolarHBondContact N-O 3.38Å; G99-Y159 PolarHBondContact O-N 3Å |
| 100 | H | 95.3 | Very high | 96.5 | Very high | 122 Ų | 122 | 47.2 Ų | 47.2 | 57% | 0.565 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -89.6 | -29 | 178.9 | -63.9 | -59 | 0 | 0 | 0 | 113.1 | R157 Y159 | H100-R157 PolarHBondContact ND1-O 3.46Å; H100-Y159 WeakPolarHBondContact O-CD2 3.08Å; H100-Y159 WeakPolarHBondContact O-CE2 3.42Å |
| 101 | D | 95.4 | Very high | 96.5 | Very high | 83 Ų | 83 | 49.2 Ų | 49.2 | 44% | 0.444 | 26% | 0.257 | S | S | . | . | trans | -99.7 | 124.1 | 177.9 | -168.2 | -6.4 | 0 | 0 | 0 | 111.4 | A103 V104 L105 | D101-A103 PolarHBondContact OD1-N 3.27Å; D101-V104 HydrophobicContact CB-CB 4.21Å; D101-V104 HydrophobicContact CB-CG2 3.93Å; D101-L105 WeakPolarHBondContact O-CG 3.42Å; D101-L105 PolarHBondContact O-N 2.81Å | ||
| 102 | R | 94 | Very high | 96.6 | Very high | 152 Ų | 152 | 42.6 Ų | 42.6 | 57% | 0.574 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -69.4 | -32.7 | 176.4 | 67.3 | 179.7 | 179.4 | -175.9 | -1.1 | 112.7 | S106 Y159 | R102-S106 WeakPolarHBondContact O-CB 3.36Å; R102-S106 PolarHBondContact O-N 2.79Å; R102-Y159 HydrophobicContact CB-CD1 4.37Å; R102-Y159 HydrophobicContact CB-CD2 4.27Å; R102-Y159 HydrophobicContact CB-CE1 4.41Å; R102-Y159 HydrophobicContact CB-CE2 4.3Å; R102-Y159 HydrophobicContact CB-CG 4.3Å |
| 103 | A | 96.1 | Very high | 96.6 | Very high | 54 Ų | 54 | 45.6 Ų | 45.6 | 45% | 0.446 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -69.7 | -48 | -175.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | D101 L105 S106 S107 | D101-A103 PolarHBondContact OD1-N 3.27Å; A103-L105 PolarHBondContact O-N 3.06Å; A103-S106 WeakPolarHBondContact O-CB 3.43Å; A103-S106 PolarHBondContact O-N 3Å; A103-S106 VanDerWaalsContact O-N 3.09Å; A103-S107 PolarHBondContact O-N 3.21Å; A103-S107 PolarHBondContact O-OG 2.8Å |
| 104 | V | 97.3 | Very high | 96.6 | Very high | 50 Ų | 50 | 47.6 Ų | 47.6 | 30% | 0.303 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -54.7 | -50 | 173.6 | 177 | 0 | 0 | 0 | 0 | 111.2 | D101 S106 S107 Y108 P185 V188 | D101-V104 HydrophobicContact CB-CB 4.21Å; D101-V104 HydrophobicContact CB-CG2 3.93Å; V104-S106 VanDerWaalsContact C-N 3.29Å; V104-S106 PolarHBondContact O-N 3.43Å; V104-S107 PolarHBondContact O-N 2.9Å; V104-Y108 WeakPolarHBondContact O-CB 3.31Å; V104-Y108 PolarHBondContact O-N 3.18Å; V104-P185 HydrophobicContact CG1-CB 3.61Å; V104-P185 HydrophobicContact CG1-CG 3.95Å; V104-V188 HydrophobicContact CG1-CG2 4Å |
| 105 | L | 96.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.6 | -34.2 | 178.2 | -74.6 | 173.5 | 0 | 0 | 0 | 113.2 | M97 D101 A103 E109 Y159 R161 V188 | M97-L105 HydrophobicContact CB-CD2 4.08Å; D101-L105 WeakPolarHBondContact O-CG 3.42Å; D101-L105 PolarHBondContact O-N 2.81Å; A103-L105 PolarHBondContact O-N 3.06Å; L105-E109 VanDerWaalsContact O-CB 3.29Å; L105-E109 WeakPolarHBondContact O-CB 3.49Å; L105-E109 PolarHBondContact O-N 2.79Å; L105-Y159 VanDerWaalsContact CD1-CB 3.4Å; L105-R161 HydrophobicContact CB-CG 3.92Å; L105-R161 HydrophobicContact CD1-CG 4.46Å; L105-R161 HydrophobicContact CD2-CG 4.35Å; L105-R161 HydrophobicContact CG-CG 4.49Å; L105-V188 HydrophobicContact CD2-CG1 3.9Å; L105-V188 HydrophobicContact CD2-CG2 4.27Å |
| 106 | S | 95.5 | Very high | 96.6 | Very high | 47 Ų | 47 | 47.3 Ų | 47.3 | 33% | 0.329 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -70.6 | -41.9 | 177 | -165.9 | 0 | 0 | 0 | 0 | 111.9 | R102 A103 V104 Y108 V110 | R102-S106 WeakPolarHBondContact O-CB 3.36Å; R102-S106 PolarHBondContact O-N 2.79Å; A103-S106 WeakPolarHBondContact O-CB 3.43Å; A103-S106 PolarHBondContact O-N 3Å; A103-S106 VanDerWaalsContact O-N 3.09Å; V104-S106 VanDerWaalsContact C-N 3.29Å; V104-S106 PolarHBondContact O-N 3.43Å; S106-Y108 VanDerWaalsContact C-N 3.31Å; S106-V110 PolarHBondContact O-N 2.79Å |
| 107 | S | 97.7 | Very high | 96.6 | Very high | 86 Ų | 86 | 48.9 Ų | 48.9 | 60% | 0.601 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -63.9 | -41.2 | 174.3 | -63.2 | 0 | 0 | 0 | 0 | 111 | A103 V104 V110 F111 | A103-S107 PolarHBondContact O-N 3.21Å; A103-S107 PolarHBondContact O-OG 2.8Å; V104-S107 PolarHBondContact O-N 2.9Å; S107-V110 PolarHBondContact O-N 3.36Å; S107-F111 PolarHBondContact O-N 3.35Å; S107-F111 VanDerWaalsContact O-N 3.07Å |
| 108 | Y | 97.7 | Very high | 96.6 | Very high | 9 Ų | 9 | 56.6 Ų | 56.6 | 4% | 0.035 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -70.3 | -35 | -180 | -163.5 | -117.6 | 0 | 0 | 0 | 112.9 | M97 V104 S106 V110 F111 V112 I180 N183 L184 P185 | M97-Y108 HydrophobicContact CE-CD1 4.25Å; M97-Y108 HydrophobicContact SD-CD1 3.31Å; M97-Y108 WeakPolarHBondContact SD-CD1 3.38Å; M97-Y108 HydrophobicContact SD-CE1 3.36Å; M97-Y108 WeakPolarHBondContact SD-CE1 3.3Å; V104-Y108 WeakPolarHBondContact O-CB 3.31Å; V104-Y108 PolarHBondContact O-N 3.18Å; S106-Y108 VanDerWaalsContact C-N 3.31Å; Y108-V110 VanDerWaalsContact C-N 3.34Å; Y108-V110 PolarHBondContact O-N 2.82Å; Y108-F111 HydrophobicContact CD2-CB 4.41Å; Y108-F111 AromaticContact CD2-CD1 3.7Å; Y108-F111 HydrophobicContact CD2-CD1 3.7Å; Y108-F111 HydrophobicContact CD2-CE1 4.4Å; Y108-F111 HydrophobicContact CD2-CG 4.35Å; Y108-F111 AromaticContact CE2-CD1 3.38Å; Y108-F111 HydrophobicContact CE2-CD1 3.38Å; Y108-F111 AromaticContact CE2-CE1 3.66Å; Y108-F111 HydrophobicContact CE2-CE1 3.66Å; Y108-F111 HydrophobicContact CE2-CG 4.39Å; Y108-F111 WeakPolarHBondContact O-CB 3.1Å; Y108-F111 PolarHBondContact O-N 2.81Å; Y108-V112 HydrophobicContact CD1-CG2 4.2Å; Y108-V112 HydrophobicContact CE1-CG2 3.89Å; Y108-V112 HydrophobicContact CE2-CG2 4.48Å; Y108-V112 WeakPolarHBondContact O-CG2 3.4Å; Y108-V112 PolarHBondContact O-N 3.42Å; Y108-I180 WeakPolarHBondContact OH-CG2 3.34Å; Y108-I180 PolarHBondContact OH-O 2.91Å; Y108-N183 WeakPolarHBondContact CE2-O 3.5Å; Y108-L184 HydrophobicContact CE1-CD1 3.76Å; Y108-P185 HydrophobicContact CD1-CG 4.47Å; Y108-P185 HydrophobicContact CD2-CG 3.62Å; Y108-P185 HydrophobicContact CE2-CG 4.13Å; Y108-P185 HydrophobicContact CG-CG 3.84Å |
| 109 | E | 96 | Very high | 96.5 | Very high | 16 Ų | 16 | 57.3 Ų | 57.3 | 8% | 0.075 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -55.5 | -47.6 | 170.3 | 177.7 | -175.7 | 150.7 | 0 | 0 | 111.5 | L105 F111 V112 L113 L129 K130 R161 | L105-E109 VanDerWaalsContact O-CB 3.29Å; L105-E109 WeakPolarHBondContact O-CB 3.49Å; L105-E109 PolarHBondContact O-N 2.79Å; E109-F111 VanDerWaalsContact C-N 3.34Å; E109-F111 PolarHBondContact O-N 2.89Å; E109-V112 PolarHBondContact O-N 2.95Å; E109-L113 HydrophobicContact CG-CD1 4.27Å; E109-L113 VanDerWaalsContact O-CG 3.27Å; E109-L113 WeakPolarHBondContact O-CG 3.21Å; E109-L113 PolarHBondContact O-N 3.22Å; E109-L113 VanDerWaalsContact O-N 3.08Å; E109-L129 HydrophobicContact CG-CD1 4.25Å; E109-L129 HydrophobicContact CG-CD2 4.21Å; E109-L129 HydrophobicContact CG-CG 4.4Å; E109-L129 WeakPolarHBondContact OE1-CD2 3.15Å; E109-K130 WeakPolarHBondContact OE1-CE 3.47Å; E109-K130 IonicContact OE1-NZ 3.2Å; E109-K130 WeakPolarHBondContact OE2-CE 3.22Å; E109-K130 IonicContact OE2-NZ 3.75Å; E109-R161 VanDerWaalsContact OE2-CD 3.24Å; E109-R161 WeakPolarHBondContact OE2-CD 3.05Å; E109-R161 IonicContact OE2-CZ 3.13Å; E109-R161 IonicContact OE2-NE 2.78Å; E109-R161 PolarHBondContact OE2-NE 3.06Å |
| 110 | V | 96.5 | Very high | 96.5 | Very high | 95 Ų | 95 | 60.5 Ų | 60.5 | 58% | 0.576 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -62.9 | -41.7 | 176.7 | 175.7 | 0 | 0 | 0 | 0 | 111.4 | S106 S107 Y108 L113 A114 | S106-V110 PolarHBondContact O-N 2.79Å; S107-V110 PolarHBondContact O-N 3.36Å; Y108-V110 VanDerWaalsContact C-N 3.34Å; Y108-V110 PolarHBondContact O-N 2.82Å; V110-L113 PolarHBondContact O-N 3.07Å; V110-A114 WeakPolarHBondContact O-CB 3.4Å; V110-A114 PolarHBondContact O-N 2.83Å |
| 111 | F | 98 | Very high | 96.6 | Very high | 55 Ų | 55 | 55.4 Ų | 55.4 | 24% | 0.241 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.3 | -49.3 | 177 | 165.6 | -98.7 | 0 | 0 | 0 | 112.4 | S107 Y108 E109 L113 A114 A115 Y179 N183 | S107-F111 PolarHBondContact O-N 3.35Å; S107-F111 VanDerWaalsContact O-N 3.07Å; Y108-F111 HydrophobicContact CD2-CB 4.41Å; Y108-F111 AromaticContact CD2-CD1 3.7Å; Y108-F111 HydrophobicContact CD2-CD1 3.7Å; Y108-F111 HydrophobicContact CD2-CE1 4.4Å; Y108-F111 HydrophobicContact CD2-CG 4.35Å; Y108-F111 AromaticContact CE2-CD1 3.38Å; Y108-F111 HydrophobicContact CE2-CD1 3.38Å; Y108-F111 AromaticContact CE2-CE1 3.66Å; Y108-F111 HydrophobicContact CE2-CE1 3.66Å; Y108-F111 HydrophobicContact CE2-CG 4.39Å; Y108-F111 WeakPolarHBondContact O-CB 3.1Å; Y108-F111 PolarHBondContact O-N 2.81Å; E109-F111 VanDerWaalsContact C-N 3.34Å; E109-F111 PolarHBondContact O-N 2.89Å; F111-L113 VanDerWaalsContact C-N 3.34Å; F111-L113 PolarHBondContact O-N 3.07Å; F111-A114 PolarHBondContact O-N 3.33Å; F111-A115 PolarHBondContact O-N 3.48Å; F111-Y179 HydrophobicContact CE1-CE1 4.3Å; F111-Y179 AromaticContact CE2-CE1 3.66Å; F111-Y179 HydrophobicContact CE2-CE1 3.66Å; F111-Y179 AromaticContact CE2-CZ 3.88Å; F111-Y179 AromaticContact CZ-CD1 3.95Å; F111-Y179 HydrophobicContact CZ-CD1 3.95Å; F111-Y179 AromaticContact CZ-CE1 3.33Å; F111-Y179 HydrophobicContact CZ-CE1 3.33Å; F111-Y179 AromaticContact CZ-CZ 3.77Å; F111-N183 HydrophobicContact CE1-CB 3.85Å; F111-N183 HydrophobicContact CZ-CB 3.59Å |
| 112 | V | 97.5 | Very high | 96.6 | Very high | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.006 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.8 | -40.3 | -179.5 | 175.5 | 0 | 0 | 0 | 0 | 111.2 | Y108 E109 A115 A116 I163 F176 I180 | Y108-V112 HydrophobicContact CD1-CG2 4.2Å; Y108-V112 HydrophobicContact CE1-CG2 3.89Å; Y108-V112 HydrophobicContact CE2-CG2 4.48Å; Y108-V112 WeakPolarHBondContact O-CG2 3.4Å; Y108-V112 PolarHBondContact O-N 3.42Å; E109-V112 PolarHBondContact O-N 2.95Å; V112-A115 PolarHBondContact O-N 3.22Å; V112-A116 PolarHBondContact O-N 3.08Å; V112-I163 HydrophobicContact CB-CD1 3.58Å; V112-I163 HydrophobicContact CG1-CD1 3.48Å; V112-I163 VanDerWaalsContact CG1-CD1 3.48Å; V112-I163 HydrophobicContact CG1-CG2 4.26Å; V112-I163 HydrophobicContact CG2-CD1 4.22Å; V112-F176 HydrophobicContact CG1-CZ 3.97Å; V112-I180 HydrophobicContact CG1-CD1 3.8Å; V112-I180 HydrophobicContact CG1-CG1 4.43Å; V112-I180 HydrophobicContact CG2-CD1 4.4Å; V112-I180 HydrophobicContact CG2-CG1 4.32Å |
| 113 | L | 96.2 | Very high | 96.7 | Very high | 65 Ų | 65 | 49.1 Ų | 49.1 | 34% | 0.34 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.7 | -40.4 | 175.9 | -69.5 | 173.3 | 0 | 0 | 0 | 112 | E109 V110 F111 A116 G117 V123 | E109-L113 HydrophobicContact CG-CD1 4.27Å; E109-L113 VanDerWaalsContact O-CG 3.27Å; E109-L113 WeakPolarHBondContact O-CG 3.21Å; E109-L113 PolarHBondContact O-N 3.22Å; E109-L113 VanDerWaalsContact O-N 3.08Å; V110-L113 PolarHBondContact O-N 3.07Å; F111-L113 VanDerWaalsContact C-N 3.34Å; F111-L113 PolarHBondContact O-N 3.07Å; L113-A116 PolarHBondContact O-N 2.94Å; L113-G117 PolarHBondContact O-N 3.02Å; L113-V123 HydrophobicContact CD2-CB 4.5Å; L113-V123 HydrophobicContact CD2-CG1 3.91Å; L113-V123 HydrophobicContact CD2-CG2 4.22Å |
| 114 | A | 97.5 | Very high | 96.6 | Very high | 44 Ų | 44 | 48.1 Ų | 48.1 | 36% | 0.364 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.9 | -45 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | V110 F111 A116 G117 H118 | V110-A114 WeakPolarHBondContact O-CB 3.4Å; V110-A114 PolarHBondContact O-N 2.83Å; F111-A114 PolarHBondContact O-N 3.33Å; A114-A116 PolarHBondContact O-N 3.42Å; A114-G117 PolarHBondContact O-N 2.73Å; A114-G117 VanDerWaalsContact O-N 3.15Å; A114-H118 PolarHBondContact O-CD2 2.75Å; A114-H118 PolarHBondContact O-N 3.31Å |
| 115 | A | 97.4 | Very high | 96.2 | Very high | 9 Ų | 9 | 54.4 Ų | 54.4 | 7% | 0.074 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.1 | -44 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | F111 V112 G117 H118 L119 F176 Y179 | F111-A115 PolarHBondContact O-N 3.48Å; V112-A115 PolarHBondContact O-N 3.22Å; A115-G117 VanDerWaalsContact C-N 3.32Å; A115-G117 PolarHBondContact O-N 3.45Å; A115-H118 PolarHBondContact O-N 3.32Å; A115-L119 PolarHBondContact O-N 2.83Å; A115-L119 VanDerWaalsContact O-N 3.15Å; A115-F176 HydrophobicContact CB-CE2 4.22Å; A115-Y179 HydrophobicContact CB-CD1 3.92Å; A115-Y179 HydrophobicContact CB-CE1 3.9Å |
| 116 | A | 96.5 | Very high | 95.7 | Very high | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.008 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -62.1 | -40.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | V112 L113 A114 L119 G120 I121 V123 F176 | V112-A116 PolarHBondContact O-N 3.08Å; L113-A116 PolarHBondContact O-N 2.94Å; A114-A116 PolarHBondContact O-N 3.42Å; A116-L119 PolarHBondContact O-N 3.31Å; A116-G120 PolarHBondContact O-N 3.43Å; A116-G120 VanDerWaalsContact O-N 3.08Å; A116-I121 HydrophobicContact CB-CB 4.19Å; A116-I121 HydrophobicContact CB-CG2 4.38Å; A116-I121 PolarHBondContact O-N 2.71Å; A116-V123 HydrophobicContact CB-CG2 3.77Å; A116-F176 HydrophobicContact CB-CE2 4Å; A116-F176 HydrophobicContact CB-CZ 4.05Å |
| 117 | G | 96.6 | Very high | 94.9 | Very high | 53 Ų | 53 | 58.7 Ų | 58.7 | 55% | 0.546 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.9 | -44 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L113 A114 A115 L119 G120 | L113-G117 PolarHBondContact O-N 3.02Å; A114-G117 PolarHBondContact O-N 2.73Å; A114-G117 VanDerWaalsContact O-N 3.15Å; A115-G117 VanDerWaalsContact C-N 3.32Å; A115-G117 PolarHBondContact O-N 3.45Å; G117-L119 VanDerWaalsContact C-N 3.33Å; G117-L119 PolarHBondContact O-N 3.39Å; G117-G120 PolarHBondContact O-N 2.86Å; G117-G120 VanDerWaalsContact O-N 3.16Å |
| 118 | H | 97.2 | Very high | 94.2 | Very high | 163 Ų | 163 | 59.4 Ų | 59.4 | 76% | 0.755 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -66 | -33.6 | 177.9 | -69.6 | -56.7 | 0 | 0 | 0 | 113.4 | A114 A115 G120 | A114-H118 PolarHBondContact O-CD2 2.75Å; A114-H118 PolarHBondContact O-N 3.31Å; A115-H118 PolarHBondContact O-N 3.32Å; H118-G120 VanDerWaalsContact C-N 3.3Å |
| 119 | L | 95.8 | Very high | 93.9 | Very high | 94 Ų | 94 | 61.7 Ų | 61.7 | 49% | 0.492 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -5.2 | 175.4 | -68 | 173 | 0 | 0 | 0 | 113.3 | A115 A116 G117 I121 F176 | A115-L119 PolarHBondContact O-N 2.83Å; A115-L119 VanDerWaalsContact O-N 3.15Å; A116-L119 PolarHBondContact O-N 3.31Å; G117-L119 VanDerWaalsContact C-N 3.33Å; G117-L119 PolarHBondContact O-N 3.39Å; L119-I121 VanDerWaalsContact C-N 3.27Å; L119-I121 HydrophobicContact CB-CD1 3.68Å; L119-I121 HydrophobicContact CB-CG1 3.74Å; L119-I121 HydrophobicContact CD1-CD1 3.72Å; L119-I121 HydrophobicContact CG-CD1 4.37Å; L119-I121 PolarHBondContact O-N 2.77Å; L119-F176 HydrophobicContact CD1-CB 4.16Å; L119-F176 HydrophobicContact CD1-CD2 3.8Å; L119-F176 HydrophobicContact CD1-CG 4.43Å |
| 120 | G | 96 | Very high | 93.8 | Very high | 71 Ų | 71 | 65.2 Ų | 65.2 | 73% | 0.732 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.4 | 26.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | A116 G117 H118 | A116-G120 PolarHBondContact O-N 3.43Å; A116-G120 VanDerWaalsContact O-N 3.08Å; G117-G120 PolarHBondContact O-N 2.86Å; G117-G120 VanDerWaalsContact O-N 3.16Å; H118-G120 VanDerWaalsContact C-N 3.3Å |
| 121 | I | 96.7 | Very high | 93.6 | Very high | 16 Ų | 16 | 61.1 Ų | 61.1 | 8% | 0.082 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -83.2 | 130 | -177.8 | -69.2 | 175.3 | 0 | 0 | 0 | 110 | A116 L119 V123 V165 L168 T172 F176 | A116-I121 HydrophobicContact CB-CB 4.19Å; A116-I121 HydrophobicContact CB-CG2 4.38Å; A116-I121 PolarHBondContact O-N 2.71Å; L119-I121 VanDerWaalsContact C-N 3.27Å; L119-I121 HydrophobicContact CB-CD1 3.68Å; L119-I121 HydrophobicContact CB-CG1 3.74Å; L119-I121 HydrophobicContact CD1-CD1 3.72Å; L119-I121 HydrophobicContact CG-CD1 4.37Å; L119-I121 PolarHBondContact O-N 2.77Å; I121-V123 PolarHBondContact O-N 3.06Å; I121-V165 HydrophobicContact CG2-CB 4.36Å; I121-V165 HydrophobicContact CG2-CG1 3.09Å; I121-V165 HydrophobicContact CG2-CG2 4.42Å; I121-L168 HydrophobicContact CB-CD2 4.48Å; I121-L168 HydrophobicContact CD1-CD2 4.2Å; I121-L168 HydrophobicContact CG1-CD2 3.97Å; I121-L168 HydrophobicContact CG2-CD1 4.45Å; I121-L168 HydrophobicContact CG2-CD2 3.89Å; I121-L168 HydrophobicContact CG2-CG 4.47Å; I121-T172 HydrophobicContact CD1-CG2 4.16Å; I121-T172 HydrophobicContact CG1-CG2 4.39Å; I121-F176 HydrophobicContact CD1-CB 3.95Å; I121-F176 HydrophobicContact CD1-CD1 4.41Å; I121-F176 HydrophobicContact CD1-CD2 3.87Å; I121-F176 HydrophobicContact CD1-CE2 4.42Å; I121-F176 HydrophobicContact CD1-CG 3.83Å |
| 122 | A | 95.5 | Very high | 93.2 | Very high | 56 Ų | 56 | 59.3 Ų | 59.3 | 46% | 0.463 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -75 | 119 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | V166 | A122-V166 HydrophobicContact CB-CG2 3.88Å; A122-V166 WeakPolarHBondContact O-CG2 3.27Å; A122-V166 PolarHBondContact O-N 2.95Å |
| 123 | V | 96.5 | Very high | 93 | Very high | 46 Ų | 46 | 60.8 Ų | 60.8 | 28% | 0.279 | 37% | 0.365 | S | S | . | . | B | Isolated β-bridge | trans | -96 | 135.4 | 174.4 | -176 | 0 | 0 | 0 | 0 | 109.2 | L113 A116 I121 E125 I163 R164 | L113-V123 HydrophobicContact CD2-CB 4.5Å; L113-V123 HydrophobicContact CD2-CG1 3.91Å; L113-V123 HydrophobicContact CD2-CG2 4.22Å; A116-V123 HydrophobicContact CB-CG2 3.77Å; I121-V123 PolarHBondContact O-N 3.06Å; V123-E125 PolarHBondContact O-N 2.87Å; V123-I163 HydrophobicContact CG1-CG2 4.23Å; V123-R164 WeakPolarHBondContact CG1-O 3.37Å |
| 124 | D | 94.2 | Very high | 92.7 | Very high | 33 Ų | 33 | 58.2 Ų | 58.2 | 18% | 0.176 | 35% | 0.351 | C | S | . | . | trans | -83.9 | 106.9 | 175.1 | -179.9 | 22.2 | 0 | 0 | 0 | 110.8 | S126 R164 V166 | D124-S126 VanDerWaalsContact C-N 3.29Å; D124-S126 WeakPolarHBondContact OD1-CB 3.43Å; D124-S126 PolarHBondContact OD1-N 3.25Å; D124-S126 PolarHBondContact OD1-OG 2.93Å; D124-R164 HydrophobicContact CB-CB 4.08Å; D124-R164 PolarHBondContact N-O 3Å; D124-R164 IonicContact OD2-CZ 3.15Å; D124-R164 IonicContact OD2-NH1 3Å; D124-R164 PolarHBondContact OD2-NH1 3.19Å; D124-R164 IonicContact OD2-NH2 3.23Å; D124-R164 PolarHBondContact OD2-NH2 2.7Å; D124-V166 HydrophobicContact CB-CG1 3.72Å | ||
| 125 | E | 88.8 | Confident | 92.3 | Very high | 183 Ų | 183 | 56.8 Ų | 56.8 | 86% | 0.855 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -14.7 | 176.8 | -60.8 | -178.5 | 176.7 | 0 | 0 | 113.1 | V123 G127 | V123-E125 PolarHBondContact O-N 2.87Å; E125-G127 PolarHBondContact O-N 3.36Å |
| 126 | S | 85.8 | Confident | 91.8 | Very high | 112 Ų | 112 | 60.8 Ų | 60.8 | 78% | 0.783 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -17.1 | -176.9 | -36.2 | 0 | 0 | 0 | 0 | 112.7 | D124 | D124-S126 VanDerWaalsContact C-N 3.29Å; D124-S126 WeakPolarHBondContact OD1-CB 3.43Å; D124-S126 PolarHBondContact OD1-N 3.25Å; D124-S126 PolarHBondContact OD1-OG 2.93Å |
| 127 | G | 78.9 | Confident | 91.4 | Very high | 24 Ų | 24 | 65.4 Ų | 65.4 | 25% | 0.247 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -81.9 | 158 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | E125 L129 | E125-G127 PolarHBondContact O-N 3.36Å; G127-L129 PolarHBondContact O-N 3.43Å |
| 128 | E | 83.8 | Confident | 90.7 | Very high | 102 Ų | 102 | 66.4 Ų | 66.4 | 48% | 0.477 | 36% | 0.355 | S | S | . | . | trans | -72.6 | 96.1 | 169.9 | -172.4 | 175.6 | -137.8 | 0 | 0 | 110.4 | K130 P132 | E128-K130 PolarHBondContact O-N 3.49Å; E128-P132 WeakPolarHBondContact OE2-CD 3.37Å | ||
| 129 | L | 90.8 | Very high | 90.1 | Very high | 56 Ų | 56 | 62.1 Ų | 62.1 | 29% | 0.293 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -61.9 | -33.1 | 178.1 | -178 | 54.6 | 0 | 0 | 0 | 112.8 | E109 G127 P131 R161 R162 I163 | E109-L129 HydrophobicContact CG-CD1 4.25Å; E109-L129 HydrophobicContact CG-CD2 4.21Å; E109-L129 HydrophobicContact CG-CG 4.4Å; E109-L129 WeakPolarHBondContact OE1-CD2 3.15Å; G127-L129 PolarHBondContact O-N 3.43Å; L129-P131 WeakPolarHBondContact O-CD 3.36Å; L129-R161 WeakPolarHBondContact O-CA 3.4Å; L129-R162 WeakPolarHBondContact CA-O 3.15Å; L129-R162 VanDerWaalsContact CD1-O 3.22Å; L129-R162 WeakPolarHBondContact CD1-O 3.27Å; L129-R162 PolarHBondContact O-N 3.2Å; L129-I163 HydrophobicContact CD1-CG1 3.72Å |
| 130 | K | 93 | Very high | 89.6 | Confident | 91 Ų | 91 | 60.7 Ų | 60.7 | 40% | 0.396 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -121.3 | 76.4 | -176.3 | -58.7 | -172.8 | 173.5 | 170.8 | 0 | 110.2 | E109 E128 R161 | E109-K130 WeakPolarHBondContact OE1-CE 3.47Å; E109-K130 IonicContact OE1-NZ 3.2Å; E109-K130 WeakPolarHBondContact OE2-CE 3.22Å; E109-K130 IonicContact OE2-NZ 3.75Å; E128-K130 PolarHBondContact O-N 3.49Å; K130-R161 VanDerWaalsContact CB-NH1 3.31Å; K130-R161 VanDerWaalsContact CD-NH1 3.31Å |
| 131 | P | 92.3 | Very high | 89.3 | Confident | 9 Ų | 9 | 61.1 Ų | 61.1 | 6% | 0.058 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 156 | 176.1 | -22.1 | 32.7 | 0 | 0 | 0 | 111.6 | L129 Y133 R160 R162 | L129-P131 WeakPolarHBondContact O-CD 3.36Å; P131-Y133 PolarHBondContact O-N 2.85Å; P131-R160 HydrophobicContact CB-CB 4.49Å; P131-R162 HydrophobicContact CG-CB 4.21Å; P131-R162 VanDerWaalsContact CG-CD 3.44Å; P131-R162 HydrophobicContact CG-CG 3.65Å |
| 132 | P | 90.9 | Very high | 88.9 | Confident | 16 Ų | 16 | 67.5 Ų | 67.5 | 10% | 0.104 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -53.3 | 130.4 | 174.4 | -28.2 | 35 | 0 | 0 | 0 | 111.7 | L41 R43 E128 | L41-P132 HydrophobicContact CB-CB 4.13Å; L41-P132 HydrophobicContact CB-CG 4.05Å; L41-P132 CarbonylContact O-C 3.55Å; L41-P132 WeakPolarHBondContact O-CA 3.49Å; L41-P132 VanDerWaalsContact O-CB 3.24Å; L41-P132 WeakPolarHBondContact O-CB 3.47Å; R43-P132 HydrophobicContact CB-CB 4.49Å; R43-P132 HydrophobicContact CG-CB 3.72Å; E128-P132 WeakPolarHBondContact OE2-CD 3.37Å |
| 133 | Y | 92.5 | Very high | 88.5 | Confident | 33 Ų | 33 | 68 Ų | 68 | 13% | 0.129 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 153.3 | 177.3 | 75.8 | -89.8 | 0 | 0 | 0 | 110.2 | D40 L41 V42 R43 P131 L135 T158 Y159 | D40-Y133 HydrophobicContact CB-CD1 3.85Å; D40-Y133 HydrophobicContact CB-CE1 3.98Å; L41-Y133 PolarHBondContact O-N 3.25Å; V42-Y133 HydrophobicContact CB-CE1 4.1Å; V42-Y133 HydrophobicContact CG1-CD2 4.41Å; V42-Y133 HydrophobicContact CG1-CE1 4.24Å; V42-Y133 HydrophobicContact CG1-CE2 3.79Å; V42-Y133 HydrophobicContact CG2-CD1 4.46Å; V42-Y133 HydrophobicContact CG2-CE1 3.5Å; V42-Y133 HydrophobicContact CG2-CE2 4.39Å; V42-Y133 VanDerWaalsContact CG2-CZ 3.43Å; V42-Y133 WeakPolarHBondContact CG2-OH 3.47Å; R43-Y133 PolarHBondContact N-O 2.91Å; P131-Y133 PolarHBondContact O-N 2.85Å; Y133-L135 HydrophobicContact CD2-CB 4.47Å; Y133-L135 HydrophobicContact CE2-CB 3.98Å; Y133-T158 WeakPolarHBondContact CA-O 3.44Å; Y133-T158 WeakPolarHBondContact CB-O 3.44Å; Y133-Y159 HydrophobicContact CD1-CD1 4.03Å; Y133-Y159 AromaticContact CD1-CE1 3.78Å; Y133-Y159 HydrophobicContact CD1-CE1 3.78Å; Y133-Y159 HydrophobicContact CD2-CD1 4.29Å; Y133-Y159 AromaticContact CD2-CE1 3.98Å; Y133-Y159 HydrophobicContact CD2-CE1 3.98Å; Y133-Y159 HydrophobicContact CE1-CE1 4.08Å; Y133-Y159 HydrophobicContact CE2-CE1 4.31Å; Y133-Y159 AromaticContact CG-CD1 3.74Å; Y133-Y159 HydrophobicContact CG-CD1 3.74Å; Y133-Y159 AromaticContact CG-CE1 3.7Å; Y133-Y159 HydrophobicContact CG-CE1 3.7Å |
| 134 | V | 90.5 | Very high | 88 | Confident | 10 Ų | 10 | 70.7 Ų | 70.7 | 6% | 0.061 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 123.7 | 178.4 | 176.6 | 0 | 0 | 0 | 0 | 108.8 | R43 I45 T158 | R43-V134 HydrophobicContact CB-CG2 4.48Å; I45-V134 HydrophobicContact CD1-CG1 3.51Å; I45-V134 HydrophobicContact CG1-CG1 4.09Å; V134-T158 PolarHBondContact N-O 3.09Å; V134-T158 PolarHBondContact O-N 2.98Å |
| 135 | L | 89.3 | Confident | 87.6 | Confident | 15 Ų | 15 | 76.8 Ų | 76.8 | 8% | 0.079 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 115.5 | 172.5 | 179.8 | 66 | 0 | 0 | 0 | 109.1 | V42 R43 Y44 I45 Y133 E155 R157 | V42-L135 HydrophobicContact CG1-CB 3.58Å; V42-L135 HydrophobicContact CG1-CD2 4.14Å; R43-L135 PolarHBondContact O-N 3.5Å; R43-L135 VanDerWaalsContact O-N 3.13Å; Y44-L135 HydrophobicContact CD1-CD2 4.15Å; Y44-L135 HydrophobicContact CE1-CD2 3.98Å; I45-L135 PolarHBondContact N-O 2.77Å; Y133-L135 HydrophobicContact CD2-CB 4.47Å; Y133-L135 HydrophobicContact CE2-CB 3.98Å; L135-E155 HydrophobicContact CD1-CB 4.09Å; L135-E155 HydrophobicContact CD1-CG 4.4Å; L135-R157 HydrophobicContact CD1-CG 3.74Å |
| 136 | W | 87.5 | Confident | 87.3 | Confident | 92 Ų | 92 | 70.8 Ų | 70.8 | 35% | 0.348 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 128.8 | 165.9 | -95.1 | 61.5 | 0 | 0 | 0 | 109.6 | M47 I55 E155 T156 | M47-W136 HydrophobicContact CE-CE3 4.42Å; M47-W136 HydrophobicContact CE-CH2 3.01Å; M47-W136 HydrophobicContact CE-CZ2 3.94Å; M47-W136 HydrophobicContact CE-CZ3 3.3Å; M47-W136 HydrophobicContact CG-CD2 4.11Å; M47-W136 HydrophobicContact CG-CE3 3.64Å; M47-W136 HydrophobicContact CG-CH2 3.66Å; M47-W136 HydrophobicContact CG-CZ2 4.04Å; M47-W136 HydrophobicContact CG-CZ3 3.42Å; M47-W136 VanDerWaalsContact CG-CZ3 3.42Å; M47-W136 HydrophobicContact SD-CE3 4.29Å; M47-W136 HydrophobicContact SD-CH2 3.16Å; M47-W136 WeakPolarHBondContact SD-CH2 3.43Å; M47-W136 HydrophobicContact SD-CZ2 3.47Å; M47-W136 WeakPolarHBondContact SD-CZ2 3.41Å; M47-W136 HydrophobicContact SD-CZ3 3.6Å; M47-W136 VanDerWaalsContact SD-CZ3 3.6Å; I55-W136 HydrophobicContact CD1-CH2 3.89Å; I55-W136 HydrophobicContact CD1-CZ3 3.86Å; W136-E155 CarbonylContact O-C 3.36Å; W136-E155 WeakPolarHBondContact O-CA 3.22Å; W136-T156 PolarHBondContact N-O 3.29Å; W136-T156 PolarHBondContact O-N 3.41Å |
| 137 | R | 86.7 | Confident | 87.2 | Confident | 99 Ų | 99 | 72.3 Ų | 72.3 | 37% | 0.374 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 126.2 | 176.2 | -172.4 | 172.9 | -178.1 | -174.7 | 6.5 | 110.3 | Q153 Y154 E155 | R137-Q153 VanDerWaalsContact NH2-NE2 3.13Å; R137-Y154 CarbonylContact C-O 3.57Å; R137-Y154 WeakPolarHBondContact CA-O 3.29Å; R137-E155 HydrophobicContact CG-CG 4.22Å; R137-E155 IonicContact NE-OE1 3.98Å |
| 138 | R | 81.9 | Confident | 87.4 | Confident | 73 Ų | 73 | 80 Ų | 80 | 28% | 0.275 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 125.5 | 177.4 | -171.1 | 179.7 | 179 | 159.2 | -5.4 | 109.9 | I52 L140 Q153 Y154 | I52-R138 HydrophobicContact CD1-CG 4.37Å; R138-L140 HydrophobicContact CG-CD2 4.29Å; R138-L140 HydrophobicContact CG-CG 4.03Å; R138-Q153 CarbonylContact O-C 3.53Å; R138-Q153 WeakPolarHBondContact O-CA 3.46Å; R138-Y154 PolarHBondContact N-O 3.38Å; R138-Y154 PolarHBondContact O-N 3.49Å |
| 139 | T | 85.6 | Confident | 87.6 | Confident | 73 Ų | 73 | 80.5 Ų | 80.5 | 45% | 0.448 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 115.7 | 172.9 | -51.6 | 0 | 0 | 0 | 0 | 109 | R151 V152 Q153 | T139-R151 HydrophobicContact CG2-CB 4Å; T139-V152 CarbonylContact C-O 3.52Å; T139-V152 WeakPolarHBondContact CA-O 3.34Å; T139-Q153 HydrophobicContact CG2-CG 4.07Å |
| 140 | L | 84.2 | Confident | 87.4 | Confident | 64 Ų | 64 | 78.4 Ų | 78.4 | 34% | 0.335 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 164.2 | 175 | -68.8 | -177.7 | 0 | 0 | 0 | 110.4 | R138 R151 V152 Y154 | R138-L140 HydrophobicContact CG-CD2 4.29Å; R138-L140 HydrophobicContact CG-CG 4.03Å; L140-R151 CarbonylContact O-C 3.57Å; L140-R151 VanDerWaalsContact O-CA 3.28Å; L140-R151 WeakPolarHBondContact O-CA 3.43Å; L140-V152 PolarHBondContact N-O 2.81Å; L140-V152 PolarHBondContact O-N 2.97Å; L140-Y154 HydrophobicContact CB-CD2 4.47Å; L140-Y154 HydrophobicContact CB-CE2 4.23Å; L140-Y154 HydrophobicContact CD1-CD2 4.32Å; L140-Y154 HydrophobicContact CD1-CE2 4.25Å |
| 141 | L | 90.1 | Very high | 87.3 | Confident | 80 Ų | 80 | 82.5 Ų | 82.5 | 42% | 0.419 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 148.6 | 160.8 | -61.1 | 167.3 | 0 | 0 | 0 | 108.5 | S143 V146 A150 | L141-S143 WeakPolarHBondContact CB-O 3.31Å; L141-S143 PolarHBondContact O-N 3.41Å; L141-V146 WeakPolarHBondContact CD1-O 3.41Å; L141-A150 WeakPolarHBondContact CA-O 3.39Å |
| 142 | K | 88.2 | Confident | 87.1 | Confident | 151 Ų | 151 | 83.9 Ų | 83.9 | 66% | 0.657 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -55.6 | -36.3 | 176 | -73.9 | -177.5 | -175.6 | -177.3 | 0 | 112.9 | A150 V152 | K142-A150 HydrophobicContact CB-CB 4.27Å; K142-A150 HydrophobicContact CD-CB 4.11Å; K142-A150 HydrophobicContact CG-CB 4.17Å; K142-A150 WeakPolarHBondContact CG-O 3.36Å; K142-A150 PolarHBondContact N-O 3.27Å; K142-V152 HydrophobicContact CD-CG2 4.15Å; K142-V152 HydrophobicContact CG-CG2 3.39Å |
| 143 | S | 87.8 | Confident | 87.2 | Confident | 65 Ų | 65 | 87.2 Ų | 87.2 | 46% | 0.455 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -150.3 | 161 | -179.8 | 168.5 | 0 | 0 | 0 | 0 | 109.7 | L141 H145 V146 | L141-S143 WeakPolarHBondContact CB-O 3.31Å; L141-S143 PolarHBondContact O-N 3.41Å; S143-H145 VanDerWaalsContact C-N 3.31Å; S143-H145 PolarHBondContact O-N 3.1Å; S143-V146 PolarHBondContact O-N 3.44Å |
| 144 | A | 86.5 | Confident | 87.1 | Confident | 104 Ų | 104 | 91.8 Ų | 91.8 | 86% | 0.86 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -34.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 145 | H | 84.9 | Confident | 87 | Confident | 160 Ų | 160 | 95.1 Ų | 95.1 | 74% | 0.741 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | 6 | -175.4 | -162.3 | 90.2 | 0 | 0 | 0 | 113.5 | S143 H147 | S143-H145 VanDerWaalsContact C-N 3.31Å; S143-H145 PolarHBondContact O-N 3.1Å; H145-H147 PolarHBondContact O-ND1 2.84Å |
| 146 | V | 82.4 | Confident | 87.1 | Confident | 58 Ų | 58 | 98 Ų | 98 | 35% | 0.352 | 49% | 0.488 | S | S | . | . | trans | -107.3 | 126.9 | -174.4 | -168 | 0 | 0 | 0 | 0 | 111 | L141 S143 A150 | L141-V146 WeakPolarHBondContact CD1-O 3.41Å; S143-V146 PolarHBondContact O-N 3.44Å; V146-A150 HydrophobicContact CB-CB 4.07Å; V146-A150 HydrophobicContact CG1-CB 3.23Å | ||
| 147 | H | 83.7 | Confident | 87.3 | Confident | 144 Ų | 144 | 99.1 Ų | 99.1 | 67% | 0.667 | 49% | 0.493 | S | S | * | . | trans | -100.4 | 133.2 | -169.1 | -61.3 | 82 | 0 | 0 | 0 | 112.9 | H145 S149 | H145-H147 PolarHBondContact O-ND1 2.84Å; H147-S149 VanDerWaalsContact C-N 3.33Å; H147-S149 PolarHBondContact O-N 2.82Å | ||
| 148 | K | 83.5 | Confident | 87.7 | Confident | 185 Ų | 185 | 95.9 Ų | 95.9 | 80% | 0.804 | 48% | 0.484 | S | S | * | . | G | 310 helix | trans | 54.8 | -60.4 | 163.6 | -162 | 174.6 | -178.5 | 179.7 | 0 | 118.5 | A150 | K148-A150 VanDerWaalsContact C-N 3.31Å; K148-A150 PolarHBondContact O-N 3.07Å |
| 149 | S | 87.1 | Confident | 88.3 | Confident | 113 Ų | 113 | 93.3 Ų | 93.3 | 79% | 0.79 | 48% | 0.475 | S | S | * | . | G | 310 helix | trans | -69.1 | -29 | -176.9 | 59.7 | 0 | 0 | 0 | 0 | 112.6 | H147 R151 | H147-S149 VanDerWaalsContact C-N 3.33Å; H147-S149 PolarHBondContact O-N 2.82Å; S149-R151 PolarHBondContact O-N 2.92Å |
| 150 | A | 88.1 | Confident | 88.8 | Confident | 12 Ų | 12 | 93 Ų | 93 | 10% | 0.099 | 47% | 0.465 | C | S | . | . | G | 310 helix | trans | -86.7 | 35.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114 | L141 K142 V146 K148 | L141-A150 WeakPolarHBondContact CA-O 3.39Å; K142-A150 HydrophobicContact CB-CB 4.27Å; K142-A150 HydrophobicContact CD-CB 4.11Å; K142-A150 HydrophobicContact CG-CB 4.17Å; K142-A150 WeakPolarHBondContact CG-O 3.36Å; K142-A150 PolarHBondContact N-O 3.27Å; V146-A150 HydrophobicContact CB-CB 4.07Å; V146-A150 HydrophobicContact CG1-CB 3.23Å; K148-A150 VanDerWaalsContact C-N 3.31Å; K148-A150 PolarHBondContact O-N 3.07Å |
| 151 | R | 89.8 | Confident | 89.3 | Confident | 177 Ų | 177 | 90.4 Ų | 90.4 | 67% | 0.668 | 45% | 0.451 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 133.2 | 171.2 | 62.5 | -176.6 | -179.2 | 177.8 | -0.8 | 110.4 | T139 L140 S149 | T139-R151 HydrophobicContact CG2-CB 4Å; L140-R151 CarbonylContact O-C 3.57Å; L140-R151 VanDerWaalsContact O-CA 3.28Å; L140-R151 WeakPolarHBondContact O-CA 3.43Å; S149-R151 PolarHBondContact O-N 2.92Å |
| 152 | V | 88.9 | Confident | 89.6 | Confident | 38 Ų | 38 | 90.9 Ų | 90.9 | 23% | 0.23 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 141.7 | 175 | 173.1 | 0 | 0 | 0 | 0 | 108.7 | T139 L140 K142 Y154 | T139-V152 CarbonylContact C-O 3.52Å; T139-V152 WeakPolarHBondContact CA-O 3.34Å; L140-V152 PolarHBondContact N-O 2.81Å; L140-V152 PolarHBondContact O-N 2.97Å; K142-V152 HydrophobicContact CD-CG2 4.15Å; K142-V152 HydrophobicContact CG-CG2 3.39Å; V152-Y154 HydrophobicContact CB-CE2 4.08Å; V152-Y154 HydrophobicContact CG1-CD2 4.11Å; V152-Y154 HydrophobicContact CG1-CE1 4.15Å; V152-Y154 HydrophobicContact CG1-CE2 3.61Å |
| 153 | Q | 91.7 | Very high | 90 | Very high | 86 Ų | 86 | 83.8 Ų | 83.8 | 40% | 0.402 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 116.9 | 177.7 | -69.7 | 169.3 | -15.5 | 0 | 0 | 108.7 | R137 R138 T139 | R137-Q153 VanDerWaalsContact NH2-NE2 3.13Å; R138-Q153 CarbonylContact O-C 3.53Å; R138-Q153 WeakPolarHBondContact O-CA 3.46Å; T139-Q153 HydrophobicContact CG2-CG 4.07Å |
| 154 | Y | 90.7 | Very high | 90.4 | Very high | 129 Ų | 129 | 84.7 Ų | 84.7 | 51% | 0.506 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 136.7 | 172 | -64 | -82.4 | 0 | 0 | 0 | 108.5 | R137 R138 L140 V152 | R137-Y154 CarbonylContact C-O 3.57Å; R137-Y154 WeakPolarHBondContact CA-O 3.29Å; R138-Y154 PolarHBondContact N-O 3.38Å; R138-Y154 PolarHBondContact O-N 3.49Å; L140-Y154 HydrophobicContact CB-CD2 4.47Å; L140-Y154 HydrophobicContact CB-CE2 4.23Å; L140-Y154 HydrophobicContact CD1-CD2 4.32Å; L140-Y154 HydrophobicContact CD1-CE2 4.25Å; V152-Y154 HydrophobicContact CB-CE2 4.08Å; V152-Y154 HydrophobicContact CG1-CD2 4.11Å; V152-Y154 HydrophobicContact CG1-CE1 4.15Å; V152-Y154 HydrophobicContact CG1-CE2 3.61Å |
| 155 | E | 88.6 | Confident | 90.9 | Very high | 79 Ų | 79 | 79.8 Ų | 79.8 | 37% | 0.369 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 136.1 | -179.3 | -62.7 | -175 | -177.8 | 0 | 0 | 110.3 | L135 W136 R137 R157 | L135-E155 HydrophobicContact CD1-CB 4.09Å; L135-E155 HydrophobicContact CD1-CG 4.4Å; W136-E155 CarbonylContact O-C 3.36Å; W136-E155 WeakPolarHBondContact O-CA 3.22Å; R137-E155 HydrophobicContact CG-CG 4.22Å; R137-E155 IonicContact NE-OE1 3.98Å; E155-R157 IonicContact OE2-CZ 3Å; E155-R157 IonicContact OE2-NE 3.79Å; E155-R157 IonicContact OE2-NH2 3.81Å; E155-R157 PolarHBondContact OE2-NH2 3.34Å |
| 156 | T | 90.7 | Very high | 91.4 | Very high | 75 Ų | 75 | 73.6 Ų | 73.6 | 46% | 0.46 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 119.2 | 168.6 | -55.2 | 0 | 0 | 0 | 0 | 108.1 | W136 | W136-T156 PolarHBondContact N-O 3.29Å; W136-T156 PolarHBondContact O-N 3.41Å |
| 157 | R | 92.2 | Very high | 92.1 | Very high | 116 Ų | 116 | 81.5 Ų | 81.5 | 44% | 0.438 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 124 | -179.9 | -62.5 | 176.6 | -174.6 | 178.2 | 2.3 | 108.4 | H100 L135 E155 Y159 | H100-R157 PolarHBondContact ND1-O 3.46Å; L135-R157 HydrophobicContact CD1-CG 3.74Å; E155-R157 IonicContact OE2-CZ 3Å; E155-R157 IonicContact OE2-NE 3.79Å; E155-R157 IonicContact OE2-NH2 3.81Å; E155-R157 PolarHBondContact OE2-NH2 3.34Å; R157-Y159 HydrophobicContact CB-CE2 3.86Å |
| 158 | T | 94.8 | Very high | 92.6 | Very high | 32 Ų | 32 | 75.2 Ų | 75.2 | 20% | 0.196 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 97.6 | 174.7 | -54.9 | 0 | 0 | 0 | 0 | 108.8 | K98 Y133 V134 | K98-T158 HydrophobicContact CB-CG2 4.25Å; Y133-T158 WeakPolarHBondContact CA-O 3.44Å; Y133-T158 WeakPolarHBondContact CB-O 3.44Å; V134-T158 PolarHBondContact N-O 3.09Å; V134-T158 PolarHBondContact O-N 2.98Å |
| 159 | Y | 95.6 | Very high | 93.2 | Very high | 18 Ų | 18 | 68.4 Ų | 68.4 | 7% | 0.071 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 148.9 | 173.5 | -61.4 | -77 | 0 | 0 | 0 | 110.1 | K98 G99 H100 R102 L105 Y133 R157 | K98-Y159 WeakPolarHBondContact CA-O 3.4Å; G99-Y159 PolarHBondContact N-O 3.38Å; G99-Y159 PolarHBondContact O-N 3Å; H100-Y159 WeakPolarHBondContact O-CD2 3.08Å; H100-Y159 WeakPolarHBondContact O-CE2 3.42Å; R102-Y159 HydrophobicContact CB-CD1 4.37Å; R102-Y159 HydrophobicContact CB-CD2 4.27Å; R102-Y159 HydrophobicContact CB-CE1 4.41Å; R102-Y159 HydrophobicContact CB-CE2 4.3Å; R102-Y159 HydrophobicContact CB-CG 4.3Å; L105-Y159 VanDerWaalsContact CD1-CB 3.4Å; Y133-Y159 HydrophobicContact CD1-CD1 4.03Å; Y133-Y159 AromaticContact CD1-CE1 3.78Å; Y133-Y159 HydrophobicContact CD1-CE1 3.78Å; Y133-Y159 HydrophobicContact CD2-CD1 4.29Å; Y133-Y159 AromaticContact CD2-CE1 3.98Å; Y133-Y159 HydrophobicContact CD2-CE1 3.98Å; Y133-Y159 HydrophobicContact CE1-CE1 4.08Å; Y133-Y159 HydrophobicContact CE2-CE1 4.31Å; Y133-Y159 AromaticContact CG-CD1 3.74Å; Y133-Y159 HydrophobicContact CG-CD1 3.74Å; Y133-Y159 AromaticContact CG-CE1 3.7Å; Y133-Y159 HydrophobicContact CG-CE1 3.7Å; R157-Y159 HydrophobicContact CB-CE2 3.86Å |
| 160 | R | 94.8 | Very high | 93.6 | Very high | 66 Ų | 66 | 64 Ų | 64 | 25% | 0.249 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 142.9 | -176.3 | -57.3 | -174.4 | 177.9 | 166.6 | -2.9 | 110.2 | M97 K98 P131 | M97-R160 CarbonylContact O-C 3.44Å; M97-R160 VanDerWaalsContact O-CA 3.24Å; M97-R160 WeakPolarHBondContact O-CA 3.23Å; K98-R160 HydrophobicContact CG-CG 4.23Å; P131-R160 HydrophobicContact CB-CB 4.49Å |
| 161 | R | 95.8 | Very high | 93.9 | Very high | 10 Ų | 10 | 66.1 Ų | 66.1 | 4% | 0.038 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 142.9 | 170.1 | -63.6 | -60.6 | -172.4 | -132.8 | 1.1 | 109 | D40 E96 M97 L105 E109 L129 K130 | D40-R161 IonicContact OD1-NH1 2.67Å; E96-R161 CarbonylContact C-O 3.58Å; E96-R161 WeakPolarHBondContact CA-O 3.15Å; M97-R161 HydrophobicContact CB-CB 4.38Å; M97-R161 HydrophobicContact CE-CB 3.46Å; M97-R161 VanDerWaalsContact CE-CB 3.46Å; M97-R161 HydrophobicContact CE-CG 4.35Å; M97-R161 PolarHBondContact N-O 2.67Å; M97-R161 PolarHBondContact O-N 2.96Å; L105-R161 HydrophobicContact CB-CG 3.92Å; L105-R161 HydrophobicContact CD1-CG 4.46Å; L105-R161 HydrophobicContact CD2-CG 4.35Å; L105-R161 HydrophobicContact CG-CG 4.49Å; E109-R161 VanDerWaalsContact OE2-CD 3.24Å; E109-R161 WeakPolarHBondContact OE2-CD 3.05Å; E109-R161 IonicContact OE2-CZ 3.13Å; E109-R161 IonicContact OE2-NE 2.78Å; E109-R161 PolarHBondContact OE2-NE 3.06Å; L129-R161 WeakPolarHBondContact O-CA 3.4Å; K130-R161 VanDerWaalsContact CB-NH1 3.31Å; K130-R161 VanDerWaalsContact CD-NH1 3.31Å |
| 162 | R | 96 | Very high | 94.1 | Very high | 90 Ų | 90 | 60.3 Ų | 60.3 | 34% | 0.34 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 111.9 | -178.9 | -73.9 | -175.6 | 174.5 | 162.5 | -14 | 109.8 | V95 E96 L129 P131 | V95-R162 WeakPolarHBondContact O-CA 3.49Å; E96-R162 HydrophobicContact CB-CG 4.45Å; E96-R162 HydrophobicContact CG-CG 4.11Å; E96-R162 IonicContact OE1-CZ 3.69Å; E96-R162 IonicContact OE1-NE 3.49Å; E96-R162 PolarHBondContact OE1-NE 2.92Å; E96-R162 IonicContact OE1-NH2 3.52Å; E96-R162 PolarHBondContact OE1-NH2 3.39Å; L129-R162 WeakPolarHBondContact CA-O 3.15Å; L129-R162 VanDerWaalsContact CD1-O 3.22Å; L129-R162 WeakPolarHBondContact CD1-O 3.27Å; L129-R162 PolarHBondContact O-N 3.2Å; P131-R162 HydrophobicContact CG-CB 4.21Å; P131-R162 VanDerWaalsContact CG-CD 3.44Å; P131-R162 HydrophobicContact CG-CG 3.65Å |
| 163 | I | 96.4 | Very high | 94.5 | Very high | 3 Ų | 3 | 58.5 Ų | 58.5 | 2% | 0.015 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 125.3 | 176.5 | -60.8 | 174.1 | 0 | 0 | 0 | 107.4 | T94 V95 M97 V112 V123 L129 V165 | T94-I163 CarbonylContact C-O 3.53Å; T94-I163 WeakPolarHBondContact CA-O 3.34Å; V95-I163 PolarHBondContact N-O 3Å; V95-I163 PolarHBondContact O-N 3.45Å; M97-I163 HydrophobicContact CE-CD1 3.73Å; M97-I163 HydrophobicContact CE-CG1 4.18Å; V112-I163 HydrophobicContact CB-CD1 3.58Å; V112-I163 HydrophobicContact CG1-CD1 3.48Å; V112-I163 VanDerWaalsContact CG1-CD1 3.48Å; V112-I163 HydrophobicContact CG1-CG2 4.26Å; V112-I163 HydrophobicContact CG2-CD1 4.22Å; V123-I163 HydrophobicContact CG1-CG2 4.23Å; L129-I163 HydrophobicContact CD1-CG1 3.72Å; I163-V165 HydrophobicContact CG2-CG2 4.34Å |
| 164 | R | 96.7 | Very high | 94.7 | Very high | 83 Ų | 83 | 57.7 Ų | 57.7 | 31% | 0.313 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 123 | 179.3 | -69.6 | -178.9 | 67.5 | -135 | -9 | 108.6 | T94 V123 D124 | T94-R164 HydrophobicContact CG2-CG 3.82Å; V123-R164 WeakPolarHBondContact CG1-O 3.37Å; D124-R164 HydrophobicContact CB-CB 4.08Å; D124-R164 PolarHBondContact N-O 3Å; D124-R164 IonicContact OD2-CZ 3.15Å; D124-R164 IonicContact OD2-NH1 3Å; D124-R164 PolarHBondContact OD2-NH1 3.19Å; D124-R164 IonicContact OD2-NH2 3.23Å; D124-R164 PolarHBondContact OD2-NH2 2.7Å |
| 165 | V | 96.4 | Very high | 94.9 | Very high | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.006 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 136.9 | 177.7 | 179.4 | 0 | 0 | 0 | 0 | 108.3 | C92 I93 I121 I163 L168 F176 | C92-V165 CarbonylContact C-O 3.45Å; C92-V165 WeakPolarHBondContact CA-O 3.17Å; C92-V165 VanDerWaalsContact CB-O 3.27Å; C92-V165 WeakPolarHBondContact CB-O 3.27Å; I93-V165 PolarHBondContact N-O 3.41Å; I93-V165 PolarHBondContact O-N 3.25Å; I121-V165 HydrophobicContact CG2-CB 4.36Å; I121-V165 HydrophobicContact CG2-CG1 3.09Å; I121-V165 HydrophobicContact CG2-CG2 4.42Å; I163-V165 HydrophobicContact CG2-CG2 4.34Å; V165-L168 HydrophobicContact CB-CD1 4.17Å; V165-L168 HydrophobicContact CG1-CD1 3.31Å; V165-L168 HydrophobicContact CG1-CD2 4.25Å; V165-L168 HydrophobicContact CG1-CG 3.67Å; V165-F176 HydrophobicContact CG2-CE1 3.91Å; V165-F176 HydrophobicContact CG2-CZ 4.35Å |
| 166 | V | 95.9 | Very high | 95.4 | Very high | 31 Ų | 31 | 51.8 Ų | 51.8 | 19% | 0.188 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 149.3 | -173.5 | -69.4 | 0 | 0 | 0 | 0 | 111.8 | C92 A122 D124 | C92-V166 HydrophobicContact CB-CG1 4.11Å; A122-V166 HydrophobicContact CB-CG2 3.88Å; A122-V166 WeakPolarHBondContact O-CG2 3.27Å; A122-V166 PolarHBondContact O-N 2.95Å; D124-V166 HydrophobicContact CB-CG1 3.72Å |
| 167 | R | 95.9 | Very high | 95.7 | Very high | 224 Ų | 224 | 48.6 Ų | 48.6 | 85% | 0.845 | 23% | 0.229 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | 57.1 | 60.3 | 171 | -50.8 | 174.7 | -167.5 | 179.4 | 3.1 | 113.3 | K91 | K91-R167 PolarHBondContact O-N 3.2Å; K91-R167 VanDerWaalsContact O-N 3.07Å |
| 168 | L | 96 | Very high | 95.9 | Very high | 12 Ų | 12 | 47.3 Ų | 47.3 | 6% | 0.063 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 147.8 | 178.1 | -75.2 | -177.8 | 0 | 0 | 0 | 112.4 | Y90 I93 I121 V165 T172 A173 | Y90-L168 PolarHBondContact N-O 3.01Å; Y90-L168 PolarHBondContact O-N 2.82Å; I93-L168 HydrophobicContact CD1-CB 4.43Å; I93-L168 HydrophobicContact CD1-CD1 3.86Å; I93-L168 HydrophobicContact CG1-CD1 4.47Å; I121-L168 HydrophobicContact CB-CD2 4.48Å; I121-L168 HydrophobicContact CD1-CD2 4.2Å; I121-L168 HydrophobicContact CG1-CD2 3.97Å; I121-L168 HydrophobicContact CG2-CD1 4.45Å; I121-L168 HydrophobicContact CG2-CD2 3.89Å; I121-L168 HydrophobicContact CG2-CG 4.47Å; V165-L168 HydrophobicContact CB-CD1 4.17Å; V165-L168 HydrophobicContact CG1-CD1 3.31Å; V165-L168 HydrophobicContact CG1-CD2 4.25Å; V165-L168 HydrophobicContact CG1-CG 3.67Å; L168-T172 HydrophobicContact CD2-CG2 4.06Å; L168-A173 HydrophobicContact CB-CB 4.37Å; L168-A173 HydrophobicContact CD1-CB 4.19Å |
| 169 | T | 95.6 | Very high | 96 | Very high | 41 Ų | 41 | 51.1 Ų | 51.1 | 25% | 0.252 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 160.3 | 163.5 | 68 | 0 | 0 | 0 | 0 | 110.2 | L89 S171 T172 A173 | L89-T169 HydrophobicContact CD2-CG2 4.09Å; T169-S171 PolarHBondContact OG1-OG 3.33Å; T169-S171 VanDerWaalsContact OG1-OG 3.07Å; T169-T172 PolarHBondContact O-N 3.37Å; T169-T172 WeakPolarHBondContact OG1-CB 3.43Å; T169-T172 PolarHBondContact OG1-N 3.2Å; T169-T172 PolarHBondContact OG1-OG1 3.47Å; T169-A173 VanDerWaalsContact O-CB 3.23Å; T169-A173 WeakPolarHBondContact O-CB 3.37Å; T169-A173 PolarHBondContact O-N 3.46Å |
| 170 | S | 95.3 | Very high | 96.1 | Very high | 20 Ų | 20 | 50.5 Ų | 50.5 | 14% | 0.14 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.7 | -47.6 | 178.9 | -156.7 | 0 | 0 | 0 | 0 | 113.8 | T88 Y90 T172 A173 D174 | T88-S170 PolarHBondContact O-N 3.14Å; T88-S170 WeakPolarHBondContact OG1-CB 3.39Å; Y90-S170 PolarHBondContact OH-OG 3.09Å; S170-T172 VanDerWaalsContact C-N 3.3Å; S170-T172 PolarHBondContact O-N 2.89Å; S170-A173 WeakPolarHBondContact O-CB 3.35Å; S170-A173 PolarHBondContact O-N 3.33Å; S170-A173 VanDerWaalsContact O-N 3.09Å; S170-D174 WeakPolarHBondContact O-CB 3.49Å; S170-D174 VanDerWaalsContact O-CG 3.22Å; S170-D174 PolarHBondContact O-N 2.84Å; S170-D174 VanDerWaalsContact O-OD2 3.09Å; S170-D174 PolarHBondContact OG-OD2 3.28Å; S170-D174 VanDerWaalsContact OG-OD2 3.13Å |
| 171 | S | 93.7 | Very high | 96.2 | Very high | 57 Ų | 57 | 52.9 Ų | 52.9 | 40% | 0.399 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -50.6 | -48 | 175.7 | 51 | 0 | 0 | 0 | 0 | 113 | D87 T169 T175 | D87-S171 PolarHBondContact OD2-OG 3.15Å; T169-S171 PolarHBondContact OG1-OG 3.33Å; T169-S171 VanDerWaalsContact OG1-OG 3.07Å; S171-T175 PolarHBondContact O-N 3.25Å; S171-T175 PolarHBondContact O-OG1 3.01Å |
| 172 | T | 94.8 | Very high | 96.3 | Very high | 55 Ų | 55 | 61.3 Ų | 61.3 | 34% | 0.337 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -68.9 | -42.2 | 177.8 | -51.1 | 0 | 0 | 0 | 0 | 111.8 | I121 L168 T169 S170 T175 F176 | I121-T172 HydrophobicContact CD1-CG2 4.16Å; I121-T172 HydrophobicContact CG1-CG2 4.39Å; L168-T172 HydrophobicContact CD2-CG2 4.06Å; T169-T172 PolarHBondContact O-N 3.37Å; T169-T172 WeakPolarHBondContact OG1-CB 3.43Å; T169-T172 PolarHBondContact OG1-N 3.2Å; T169-T172 PolarHBondContact OG1-OG1 3.47Å; S170-T172 VanDerWaalsContact C-N 3.3Å; S170-T172 PolarHBondContact O-N 2.89Å; T172-T175 PolarHBondContact O-N 3.35Å; T172-F176 WeakPolarHBondContact O-CB 3.49Å; T172-F176 PolarHBondContact O-N 3.48Å |
| 173 | A | 96.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.7 | -43.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y90 I93 L168 T169 S170 F176 L177 | Y90-A173 HydrophobicContact CD2-CB 4Å; Y90-A173 HydrophobicContact CE2-CB 3.99Å; I93-A173 HydrophobicContact CD1-CB 3.32Å; L168-A173 HydrophobicContact CB-CB 4.37Å; L168-A173 HydrophobicContact CD1-CB 4.19Å; T169-A173 VanDerWaalsContact O-CB 3.23Å; T169-A173 WeakPolarHBondContact O-CB 3.37Å; T169-A173 PolarHBondContact O-N 3.46Å; S170-A173 WeakPolarHBondContact O-CB 3.35Å; S170-A173 PolarHBondContact O-N 3.33Å; S170-A173 VanDerWaalsContact O-N 3.09Å; A173-F176 PolarHBondContact O-N 3.44Å; A173-L177 WeakPolarHBondContact O-CB 3.24Å; A173-L177 WeakPolarHBondContact O-CG 3.47Å; A173-L177 PolarHBondContact O-N 3.41Å |
| 174 | D | 95.5 | Very high | 96.4 | Very high | 70 Ų | 70 | 63 Ų | 63 | 37% | 0.374 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -68.1 | -40.6 | -178.3 | -63.1 | -32.7 | 0 | 0 | 0 | 110.5 | S170 F176 L177 E178 K194 | S170-D174 WeakPolarHBondContact O-CB 3.49Å; S170-D174 VanDerWaalsContact O-CG 3.22Å; S170-D174 PolarHBondContact O-N 2.84Å; S170-D174 VanDerWaalsContact O-OD2 3.09Å; S170-D174 PolarHBondContact OG-OD2 3.28Å; S170-D174 VanDerWaalsContact OG-OD2 3.13Å; D174-F176 PolarHBondContact O-N 2.79Å; D174-L177 PolarHBondContact O-N 2.79Å; D174-E178 WeakPolarHBondContact O-CB 3.39Å; D174-E178 PolarHBondContact O-N 2.72Å; D174-K194 IonicContact OD1-NZ 2.72Å; D174-K194 PolarHBondContact OD1-NZ 2.76Å |
| 175 | T | 96 | Very high | 96.4 | Very high | 81 Ų | 81 | 60.7 Ų | 60.7 | 50% | 0.497 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.4 | -43.2 | 172.6 | -51.9 | 0 | 0 | 0 | 0 | 112 | S171 T172 Y179 | S171-T175 PolarHBondContact O-N 3.25Å; S171-T175 PolarHBondContact O-OG1 3.01Å; T172-T175 PolarHBondContact O-N 3.35Å; T175-Y179 PolarHBondContact O-N 2.94Å |
| 176 | F | 97.6 | Very high | 96.4 | Very high | 2 Ų | 2 | 69.6 Ų | 69.6 | 1% | 0.009 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -67.7 | -45.9 | 179.1 | 175.9 | -117.2 | 0 | 0 | 0 | 112.2 | V112 A115 A116 L119 I121 V165 T172 A173 D174 Y179 I180 | V112-F176 HydrophobicContact CG1-CZ 3.97Å; A115-F176 HydrophobicContact CB-CE2 4.22Å; A116-F176 HydrophobicContact CB-CE2 4Å; A116-F176 HydrophobicContact CB-CZ 4.05Å; L119-F176 HydrophobicContact CD1-CB 4.16Å; L119-F176 HydrophobicContact CD1-CD2 3.8Å; L119-F176 HydrophobicContact CD1-CG 4.43Å; I121-F176 HydrophobicContact CD1-CB 3.95Å; I121-F176 HydrophobicContact CD1-CD1 4.41Å; I121-F176 HydrophobicContact CD1-CD2 3.87Å; I121-F176 HydrophobicContact CD1-CE2 4.42Å; I121-F176 HydrophobicContact CD1-CG 3.83Å; V165-F176 HydrophobicContact CG2-CE1 3.91Å; V165-F176 HydrophobicContact CG2-CZ 4.35Å; T172-F176 WeakPolarHBondContact O-CB 3.49Å; T172-F176 PolarHBondContact O-N 3.48Å; A173-F176 PolarHBondContact O-N 3.44Å; D174-F176 PolarHBondContact O-N 2.79Å; F176-Y179 PolarHBondContact O-N 3.37Å; F176-I180 HydrophobicContact CD1-CD1 3.87Å; F176-I180 HydrophobicContact CD2-CD1 4.25Å; F176-I180 HydrophobicContact CE1-CD1 3.39Å; F176-I180 HydrophobicContact CE2-CD1 3.84Å; F176-I180 HydrophobicContact CE2-CG1 4.37Å; F176-I180 HydrophobicContact CG-CD1 4.3Å; F176-I180 HydrophobicContact CZ-CD1 3.41Å; F176-I180 VanDerWaalsContact CZ-CD1 3.41Å; F176-I180 HydrophobicContact CZ-CG1 4.39Å; F176-I180 WeakPolarHBondContact O-CG1 3.24Å; F176-I180 PolarHBondContact O-N 2.92Å; F176-I180 VanDerWaalsContact O-N 3.15Å |
| 177 | L | 97.2 | Very high | 96.4 | Very high | 8 Ų | 8 | 71.1 Ų | 71.1 | 4% | 0.042 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -66.6 | -38.6 | 179.2 | -71.1 | 173.5 | 0 | 0 | 0 | 111.6 | I93 V95 A173 D174 Y179 I180 E181 V192 | I93-L177 HydrophobicContact CG2-CD2 4.49Å; V95-L177 HydrophobicContact CG2-CD2 4.08Å; A173-L177 WeakPolarHBondContact O-CB 3.24Å; A173-L177 WeakPolarHBondContact O-CG 3.47Å; A173-L177 PolarHBondContact O-N 3.41Å; D174-L177 PolarHBondContact O-N 2.79Å; L177-Y179 VanDerWaalsContact C-N 3.3Å; L177-Y179 PolarHBondContact O-N 2.9Å; L177-I180 PolarHBondContact O-N 2.93Å; L177-E181 WeakPolarHBondContact O-CB 3.19Å; L177-E181 VanDerWaalsContact O-CG 3.31Å; L177-E181 WeakPolarHBondContact O-CG 3.19Å; L177-E181 PolarHBondContact O-N 2.81Å; L177-V192 HydrophobicContact CD1-CG1 3.89Å; L177-V192 HydrophobicContact CD2-CG1 3.88Å; L177-V192 HydrophobicContact CD2-CG2 3.9Å |
| 178 | E | 97.2 | Very high | 96.4 | Very high | 89 Ų | 89 | 61.3 Ų | 61.3 | 42% | 0.416 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -55.6 | -45.8 | 173.4 | 176 | 177 | -161.9 | 0 | 0 | 111.3 | D174 I180 E181 R182 | D174-E178 WeakPolarHBondContact O-CB 3.39Å; D174-E178 PolarHBondContact O-N 2.72Å; E178-I180 PolarHBondContact O-N 2.78Å; E178-E181 PolarHBondContact O-N 3.36Å; E178-R182 WeakPolarHBondContact O-CB 3.34Å; E178-R182 WeakPolarHBondContact O-CD 3.03Å; E178-R182 WeakPolarHBondContact O-CG 3.44Å; E178-R182 PolarHBondContact O-N 2.92Å; E178-R182 IonicContact OE1-CZ 3.56Å; E178-R182 IonicContact OE1-NE 3.61Å; E178-R182 PolarHBondContact OE1-NE 3.34Å; E178-R182 IonicContact OE1-NH2 2.6Å; E178-R182 PolarHBondContact OE1-NH2 2.82Å |
| 179 | Y | 97.9 | Very high | 96.5 | Very high | 113 Ų | 113 | 63.5 Ų | 63.5 | 44% | 0.443 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -65.6 | -38.7 | 178.5 | -173.4 | -114.3 | 0 | 0 | 0 | 112.7 | F111 A115 T175 F176 L177 N183 | F111-Y179 HydrophobicContact CE1-CE1 4.3Å; F111-Y179 AromaticContact CE2-CE1 3.66Å; F111-Y179 HydrophobicContact CE2-CE1 3.66Å; F111-Y179 AromaticContact CE2-CZ 3.88Å; F111-Y179 AromaticContact CZ-CD1 3.95Å; F111-Y179 HydrophobicContact CZ-CD1 3.95Å; F111-Y179 AromaticContact CZ-CE1 3.33Å; F111-Y179 HydrophobicContact CZ-CE1 3.33Å; F111-Y179 AromaticContact CZ-CZ 3.77Å; A115-Y179 HydrophobicContact CB-CD1 3.92Å; A115-Y179 HydrophobicContact CB-CE1 3.9Å; T175-Y179 PolarHBondContact O-N 2.94Å; F176-Y179 PolarHBondContact O-N 3.37Å; L177-Y179 VanDerWaalsContact C-N 3.3Å; L177-Y179 PolarHBondContact O-N 2.9Å; Y179-N183 WeakPolarHBondContact CE2-ND2 3.24Å; Y179-N183 PolarHBondContact O-N 3.04Å; Y179-N183 PolarHBondContact O-ND2 3.26Å |
| 180 | I | 97.4 | Very high | 96.6 | Very high | 4 Ų | 4 | 63.6 Ų | 63.6 | 2% | 0.021 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -65.4 | -52.2 | 175.7 | -68.8 | 174.4 | 0 | 0 | 0 | 110.3 | Y108 V112 F176 L177 E178 R182 N183 L184 | Y108-I180 WeakPolarHBondContact OH-CG2 3.34Å; Y108-I180 PolarHBondContact OH-O 2.91Å; V112-I180 HydrophobicContact CG1-CD1 3.8Å; V112-I180 HydrophobicContact CG1-CG1 4.43Å; V112-I180 HydrophobicContact CG2-CD1 4.4Å; V112-I180 HydrophobicContact CG2-CG1 4.32Å; F176-I180 HydrophobicContact CD1-CD1 3.87Å; F176-I180 HydrophobicContact CD2-CD1 4.25Å; F176-I180 HydrophobicContact CE1-CD1 3.39Å; F176-I180 HydrophobicContact CE2-CD1 3.84Å; F176-I180 HydrophobicContact CE2-CG1 4.37Å; F176-I180 HydrophobicContact CG-CD1 4.3Å; F176-I180 HydrophobicContact CZ-CD1 3.41Å; F176-I180 VanDerWaalsContact CZ-CD1 3.41Å; F176-I180 HydrophobicContact CZ-CG1 4.39Å; F176-I180 WeakPolarHBondContact O-CG1 3.24Å; F176-I180 PolarHBondContact O-N 2.92Å; F176-I180 VanDerWaalsContact O-N 3.15Å; L177-I180 PolarHBondContact O-N 2.93Å; E178-I180 PolarHBondContact O-N 2.78Å; I180-R182 VanDerWaalsContact C-N 3.3Å; I180-R182 PolarHBondContact O-N 2.84Å; I180-N183 CarbonylContact O-C 3.59Å; I180-N183 PolarHBondContact O-N 2.96Å; I180-L184 PolarHBondContact O-N 3.05Å |
| 181 | E | 96.9 | Very high | 96.6 | Very high | 117 Ų | 117 | 69.5 Ų | 69.5 | 55% | 0.547 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.3 | -35.8 | -174.7 | -71.4 | 174.5 | -178.5 | 0 | 0 | 112 | L177 E178 N183 | L177-E181 WeakPolarHBondContact O-CB 3.19Å; L177-E181 VanDerWaalsContact O-CG 3.31Å; L177-E181 WeakPolarHBondContact O-CG 3.19Å; L177-E181 PolarHBondContact O-N 2.81Å; E178-E181 PolarHBondContact O-N 3.36Å; E181-N183 VanDerWaalsContact C-N 3.27Å; E181-N183 PolarHBondContact O-N 2.82Å |
| 182 | R | 97.2 | Very high | 96.8 | Very high | 187 Ų | 187 | 69 Ų | 69 | 71% | 0.706 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -64.8 | -26.7 | 174.1 | -74.2 | 173.4 | 178.5 | -139.1 | 2.6 | 113.8 | E178 I180 | E178-R182 WeakPolarHBondContact O-CB 3.34Å; E178-R182 WeakPolarHBondContact O-CD 3.03Å; E178-R182 WeakPolarHBondContact O-CG 3.44Å; E178-R182 PolarHBondContact O-N 2.92Å; E178-R182 IonicContact OE1-CZ 3.56Å; E178-R182 IonicContact OE1-NE 3.61Å; E178-R182 PolarHBondContact OE1-NE 3.34Å; E178-R182 IonicContact OE1-NH2 2.6Å; E178-R182 PolarHBondContact OE1-NH2 2.82Å; I180-R182 VanDerWaalsContact C-N 3.3Å; I180-R182 PolarHBondContact O-N 2.84Å |
| 183 | N | 96.9 | Very high | 97 | Very high | 75 Ų | 75 | 68.9 Ų | 68.9 | 40% | 0.401 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.6 | 19.4 | -176 | -67.2 | -75.3 | 0 | 0 | 0 | 112.9 | Y108 F111 Y179 I180 E181 P185 | Y108-N183 WeakPolarHBondContact CE2-O 3.5Å; F111-N183 HydrophobicContact CE1-CB 3.85Å; F111-N183 HydrophobicContact CZ-CB 3.59Å; Y179-N183 WeakPolarHBondContact CE2-ND2 3.24Å; Y179-N183 PolarHBondContact O-N 3.04Å; Y179-N183 PolarHBondContact O-ND2 3.26Å; I180-N183 CarbonylContact O-C 3.59Å; I180-N183 PolarHBondContact O-N 2.96Å; E181-N183 VanDerWaalsContact C-N 3.27Å; E181-N183 PolarHBondContact O-N 2.82Å; N183-P185 WeakPolarHBondContact O-CD 3.15Å |
| 184 | L | 97.4 | Very high | 97 | Very high | 53 Ų | 53 | 72.9 Ų | 72.9 | 28% | 0.277 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 126.9 | -178.7 | -168.8 | 66.3 | 0 | 0 | 0 | 110.8 | Y108 I180 V188 A190 | Y108-L184 HydrophobicContact CE1-CD1 3.76Å; I180-L184 PolarHBondContact O-N 3.05Å; L184-V188 HydrophobicContact CD1-CB 4.42Å; L184-V188 HydrophobicContact CD1-CG1 4.08Å; L184-V188 WeakPolarHBondContact CD2-O 3.47Å; L184-A190 HydrophobicContact CD1-CB 3.85Å; L184-A190 HydrophobicContact CD2-CB 3.9Å |
| 185 | P | 98 | Very high | 97 | Very high | 35 Ų | 35 | 73.8 Ų | 73.8 | 23% | 0.227 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -67.9 | 151 | -178.8 | -20.4 | 32.2 | 0 | 0 | 0 | 112.9 | V104 Y108 N183 G187 V188 | V104-P185 HydrophobicContact CG1-CB 3.61Å; V104-P185 HydrophobicContact CG1-CG 3.95Å; Y108-P185 HydrophobicContact CD1-CG 4.47Å; Y108-P185 HydrophobicContact CD2-CG 3.62Å; Y108-P185 HydrophobicContact CE2-CG 4.13Å; Y108-P185 HydrophobicContact CG-CG 3.84Å; N183-P185 WeakPolarHBondContact O-CD 3.15Å; P185-G187 PolarHBondContact O-N 2.94Å; P185-V188 HydrophobicContact CB-CG2 3.98Å; P185-V188 HydrophobicContact CG-CG2 4.36Å; P185-V188 WeakPolarHBondContact O-CB 3.21Å; P185-V188 PolarHBondContact O-N 2.8Å; P185-V188 VanDerWaalsContact O-N 3.1Å |
| 186 | E | 94.7 | Very high | 97 | Very high | 187 Ų | 187 | 75.6 Ų | 75.6 | 87% | 0.874 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | 135.1 | 176.2 | -63.3 | -59.8 | 163.3 | 0 | 0 | 112.2 | V188 | E186-V188 PolarHBondContact O-N 3.01Š|
| 187 | G | 95.7 | Very high | 96.8 | Very high | 64 Ų | 64 | 80.6 Ų | 80.6 | 66% | 0.66 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73 | 9.3 | -178 | 0 | 0 | 0 | 0 | 0 | 114.9 | P185 | P185-G187 PolarHBondContact O-N 2.94Š|
| 188 | V | 97.6 | Very high | 96.4 | Very high | 17 Ų | 17 | 84.2 Ų | 84.2 | 10% | 0.103 | 44% | 0.437 | C | S | . | . | trans | -102.5 | 128 | 169.2 | -179 | 0 | 0 | 0 | 0 | 109.5 | M97 K98 V104 L105 L184 P185 E186 | M97-V188 HydrophobicContact CB-CG1 4.24Å; K98-V188 CarbonylContact O-C 3.57Å; K98-V188 WeakPolarHBondContact O-CA 3.36Å; K98-V188 WeakPolarHBondContact O-CG1 3.18Å; V104-V188 HydrophobicContact CG1-CG2 4Å; L105-V188 HydrophobicContact CD2-CG1 3.9Å; L105-V188 HydrophobicContact CD2-CG2 4.27Å; L184-V188 HydrophobicContact CD1-CB 4.42Å; L184-V188 HydrophobicContact CD1-CG1 4.08Å; L184-V188 WeakPolarHBondContact CD2-O 3.47Å; P185-V188 HydrophobicContact CB-CG2 3.98Å; P185-V188 HydrophobicContact CG-CG2 4.36Å; P185-V188 WeakPolarHBondContact O-CB 3.21Å; P185-V188 PolarHBondContact O-N 2.8Å; P185-V188 VanDerWaalsContact O-N 3.1Å; E186-V188 PolarHBondContact O-N 3.01Å | ||
| 189 | A | 97.1 | Very high | 95.9 | Very high | 59 Ų | 59 | 84.7 Ų | 84.7 | 49% | 0.488 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 128.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | M97 K98 | M97-A189 CarbonylContact C-O 3.44Å; M97-A189 WeakPolarHBondContact CA-O 3.16Å; K98-A189 PolarHBondContact N-O 2.93Å; K98-A189 PolarHBondContact O-N 2.91Å |
| 190 | A | 96.9 | Very high | 95.3 | Very high | 43 Ų | 43 | 82.5 Ų | 82.5 | 36% | 0.355 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 144.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | E96 L184 | E96-A190 CarbonylContact O-C 3.56Å; E96-A190 WeakPolarHBondContact O-CA 3.34Å; L184-A190 HydrophobicContact CD1-CB 3.85Å; L184-A190 HydrophobicContact CD2-CB 3.9Å |
| 191 | R | 97.3 | Very high | 94.9 | Very high | 144 Ų | 144 | 86.9 Ų | 86.9 | 54% | 0.543 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 126.9 | 171.5 | 179.1 | -171.4 | -175 | -166.6 | 5.9 | 108.3 | E96 I193 | E96-R191 HydrophobicContact CB-CB 4.35Å; E96-R191 PolarHBondContact N-O 2.82Å; E96-R191 PolarHBondContact O-N 3.13Å; E96-R191 IonicContact OE2-NH1 2.95Å; R191-I193 HydrophobicContact CG-CG1 4.45Å |
| 192 | V | 97.8 | Very high | 94.3 | Very high | 45 Ų | 45 | 87.4 Ų | 87.4 | 27% | 0.273 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 131.4 | 177.6 | -174.3 | 0 | 0 | 0 | 0 | 109.2 | I93 L177 K194 | I93-V192 HydrophobicContact CG2-CG1 3.68Å; L177-V192 HydrophobicContact CD1-CG1 3.89Å; L177-V192 HydrophobicContact CD2-CG1 3.88Å; L177-V192 HydrophobicContact CD2-CG2 3.9Å; V192-K194 HydrophobicContact CG1-CG 4.17Å |
| 193 | I | 97.5 | Very high | 93.7 | Very high | 53 Ų | 53 | 84.9 Ų | 84.9 | 27% | 0.272 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 107.9 | 175.6 | -55.6 | 171.5 | 0 | 0 | 0 | 107.2 | I93 T94 E96 R191 | I93-I193 WeakPolarHBondContact CA-O 3.33Å; T94-I193 PolarHBondContact N-O 3.39Å; T94-I193 PolarHBondContact O-N 2.95Å; E96-I193 HydrophobicContact CG-CD1 4.22Å; R191-I193 HydrophobicContact CG-CG1 4.45Å |
| 194 | K | 96.9 | Very high | 93.2 | Very high | 85 Ų | 85 | 84.7 Ų | 84.7 | 37% | 0.37 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 131.9 | 177.1 | -61.5 | -177.9 | 171.9 | -166.9 | 0 | 109.3 | Y90 D174 V192 | Y90-K194 HydrophobicContact CD1-CB 3.99Å; Y90-K194 HydrophobicContact CE1-CB 3.7Å; Y90-K194 HydrophobicContact CE1-CD 3.92Å; Y90-K194 HydrophobicContact CE1-CG 4.2Å; D174-K194 IonicContact OD1-NZ 2.72Å; D174-K194 PolarHBondContact OD1-NZ 2.76Å; V192-K194 HydrophobicContact CG1-CG 4.17Å |
| 195 | Q | 96.6 | Very high | 92.5 | Very high | 88 Ų | 88 | 85.4 Ų | 85.4 | 41% | 0.411 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 107.1 | 172.3 | -63.5 | -171.1 | -6.1 | 0 | 0 | 109.4 | Y90 K91 C92 | Y90-Q195 CarbonylContact C-O 3.51Å; Y90-Q195 VanDerWaalsContact CA-O 3.3Å; Y90-Q195 WeakPolarHBondContact CA-O 3.33Å; K91-Q195 PolarHBondContact N-O 2.81Å; C92-Q195 WeakPolarHBondContact O-CB 3.22Å; C92-Q195 PolarHBondContact O-N 2.78Å; C92-Q195 PolarHBondContact SG-OE1 2.99Å |
| 196 | E | 95.2 | Very high | 91.9 | Very high | 120 Ų | 120 | 88.2 Ų | 88.2 | 56% | 0.561 | 49% | 0.491 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 150.1 | -178.6 | -69.2 | 169.7 | -156.9 | 0 | 0 | 112.1 | Y90 A198 | Y90-E196 HydrophobicContact CD1-CB 4.37Å; Y90-E196 HydrophobicContact CD1-CG 3.43Å; Y90-E196 VanDerWaalsContact CD1-CG 3.43Å; Y90-E196 HydrophobicContact CE1-CG 3.24Å; E196-A198 PolarHBondContact O-N 2.82Å |
| 197 | I | 93.8 | Very high | 91.4 | Very high | 107 Ų | 107 | 83.2 Ų | 83.2 | 55% | 0.549 | 47% | 0.469 | S | S | . | . | trans | -88.9 | 102.2 | 168.6 | -57.8 | 174.6 | 0 | 0 | 0 | 106.8 | L89 K91 | L89-I197 HydrophobicContact CB-CB 4.35Å; L89-I197 HydrophobicContact CB-CD1 4.06Å; L89-I197 HydrophobicContact CB-CG1 4.47Å; L89-I197 PolarHBondContact O-N 2.96Å; K91-I197 HydrophobicContact CB-CD1 4.4Å; K91-I197 HydrophobicContact CB-CG1 3.84Å | ||
| 198 | A | 89.1 | Confident | 90.6 | Very high | 83 Ų | 83 | 86 Ų | 86 | 69% | 0.686 | 46% | 0.463 | S | S | * | . | P | Polyproline II helix | trans | -101.2 | 141.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | E196 | E196-A198 PolarHBondContact O-N 2.82Š|
| 199 | S | 86.2 | Confident | 89.8 | Confident | 100 Ų | 100 | 89.2 Ų | 89.2 | 70% | 0.699 | 48% | 0.48 | S | S | * | . | P | Polyproline II helix | trans | -64.6 | 138.2 | 164.9 | 177 | 0 | 0 | 0 | 0 | 109.1 | Q205 | S199-Q205 PolarHBondContact OG-NE2 2.82Š|
| 200 | V | 86.5 | Confident | 88.6 | Confident | 67 Ų | 67 | 90.8 Ų | 90.8 | 41% | 0.406 | 48% | 0.484 | S | S | . | . | P | Polyproline II helix | trans | -58.9 | 138.2 | 171.1 | 178.8 | 0 | 0 | 0 | 0 | 108.9 | I204 Q205 | V200-I204 HydrophobicContact CG1-CB 3.35Å; V200-I204 HydrophobicContact CG1-CG2 3.24Å; V200-Q205 HydrophobicContact CB-CG 3.93Å; V200-Q205 HydrophobicContact CG1-CG 3.93Å; V200-Q205 WeakPolarHBondContact O-CG 3.35Å; V200-Q205 PolarHBondContact O-NE2 2.89Å |
| 201 | T | 87.6 | Confident | 87 | Confident | 95 Ų | 95 | 95.7 Ų | 95.7 | 58% | 0.583 | 50% | 0.497 | S | S | * | . | P | Polyproline II helix | trans | -61.3 | 147.1 | 176.8 | -48.1 | 0 | 0 | 0 | 0 | 111 | H203 I204 Q205 | T201-H203 VanDerWaalsContact C-N 3.28Å; T201-H203 PolarHBondContact O-N 3.5Å; T201-H203 VanDerWaalsContact O-N 3.14Å; T201-I204 WeakPolarHBondContact O-CA 3.4Å; T201-I204 PolarHBondContact O-N 3.21Å; T201-Q205 PolarHBondContact O-N 3.47Å |
| 202 | L | 84.8 | Confident | 85.4 | Confident | 128 Ų | 128 | 95.6 Ų | 95.6 | 67% | 0.67 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -45 | -49.1 | -178.7 | -60.9 | 178.4 | 0 | 0 | 0 | 113.2 | I204 Q205 D206 | L202-I204 VanDerWaalsContact C-N 3.27Å; L202-I204 PolarHBondContact O-N 3.4Å; L202-Q205 WeakPolarHBondContact O-CA 3.43Å; L202-Q205 WeakPolarHBondContact O-CB 3.49Å; L202-Q205 PolarHBondContact O-N 3.02Å; L202-D206 PolarHBondContact O-N 3.35Å |
| 203 | H | 84.6 | Confident | 83.4 | Confident | 134 Ų | 134 | 103.8 Ų | 103.8 | 62% | 0.62 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -59.8 | -36.2 | 179.9 | -174.9 | 60 | 0 | 0 | 0 | 113.5 | T201 I207 | T201-H203 VanDerWaalsContact C-N 3.28Å; T201-H203 PolarHBondContact O-N 3.5Å; T201-H203 VanDerWaalsContact O-N 3.14Å; H203-I207 WeakPolarHBondContact O-CG1 3.37Å; H203-I207 PolarHBondContact O-N 2.8Å |
| 204 | I | 85.4 | Confident | 81.4 | Confident | 72 Ų | 72 | 104.8 Ų | 104.8 | 37% | 0.369 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -77 | -36.2 | 177.6 | -58.4 | 170.6 | 0 | 0 | 0 | 109.8 | V200 T201 L202 D206 I207 F208 | V200-I204 HydrophobicContact CG1-CB 3.35Å; V200-I204 HydrophobicContact CG1-CG2 3.24Å; T201-I204 WeakPolarHBondContact O-CA 3.4Å; T201-I204 PolarHBondContact O-N 3.21Å; L202-I204 VanDerWaalsContact C-N 3.27Å; L202-I204 PolarHBondContact O-N 3.4Å; I204-D206 VanDerWaalsContact C-N 3.29Å; I204-D206 PolarHBondContact O-N 2.92Å; I204-I207 PolarHBondContact O-N 2.86Å; I204-F208 HydrophobicContact CG2-CD2 3.69Å; I204-F208 HydrophobicContact CG2-CE2 3.4Å; I204-F208 VanDerWaalsContact CG2-CE2 3.4Å; I204-F208 WeakPolarHBondContact O-CD2 3.06Å; I204-F208 PolarHBondContact O-N 3.5Å; I204-F208 VanDerWaalsContact O-N 3.09Å |
| 205 | Q | 84.2 | Confident | 78.8 | Confident | 68 Ų | 68 | 106.1 Ų | 106.1 | 32% | 0.318 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -58.7 | -42 | 173.2 | -62.8 | -178 | 1.4 | 0 | 0 | 111.3 | S199 V200 T201 L202 I207 F208 N209 | S199-Q205 PolarHBondContact OG-NE2 2.82Å; V200-Q205 HydrophobicContact CB-CG 3.93Å; V200-Q205 HydrophobicContact CG1-CG 3.93Å; V200-Q205 WeakPolarHBondContact O-CG 3.35Å; V200-Q205 PolarHBondContact O-NE2 2.89Å; T201-Q205 PolarHBondContact O-N 3.47Å; L202-Q205 WeakPolarHBondContact O-CA 3.43Å; L202-Q205 WeakPolarHBondContact O-CB 3.49Å; L202-Q205 PolarHBondContact O-N 3.02Å; Q205-I207 PolarHBondContact O-N 3.25Å; Q205-F208 PolarHBondContact O-N 3.33Å; Q205-N209 WeakPolarHBondContact O-CB 3.33Å; Q205-N209 VanDerWaalsContact O-CG 3.22Å; Q205-N209 PolarHBondContact O-N 3.43Å; Q205-N209 PolarHBondContact O-ND2 3.14Å |
| 206 | D | 83.7 | Confident | 76.5 | Confident | 93 Ų | 93 | 107.8 Ų | 107.8 | 50% | 0.497 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -60.6 | -44.9 | 176 | -66.8 | -28.9 | 0 | 0 | 0 | 111.8 | L202 I204 F208 N209 V210 | L202-D206 PolarHBondContact O-N 3.35Å; I204-D206 VanDerWaalsContact C-N 3.29Å; I204-D206 PolarHBondContact O-N 2.92Å; D206-F208 VanDerWaalsContact C-N 3.3Å; D206-F208 PolarHBondContact O-N 3.05Å; D206-N209 PolarHBondContact O-N 3.48Å; D206-V210 VanDerWaalsContact O-CG2 3.27Å; D206-V210 WeakPolarHBondContact O-CG2 3.28Å; D206-V210 PolarHBondContact O-N 3.44Å |
| 207 | I | 84.9 | Confident | 74.2 | Confident | 82 Ų | 82 | 108.9 Ų | 108.9 | 42% | 0.421 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -58.2 | -42.9 | 176.5 | -67.1 | 166.9 | 0 | 0 | 0 | 111.2 | H203 I204 Q205 K211 | H203-I207 WeakPolarHBondContact O-CG1 3.37Å; H203-I207 PolarHBondContact O-N 2.8Å; I204-I207 PolarHBondContact O-N 2.86Å; Q205-I207 PolarHBondContact O-N 3.25Å; I207-K211 PolarHBondContact O-N 3.16Å |
| 208 | F | 79.3 | Confident | 72.1 | Confident | 122 Ų | 122 | 113.4 Ų | 113.4 | 54% | 0.535 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -70.5 | -38.4 | 177.5 | -76.9 | -67.6 | 0 | 0 | 0 | 112.4 | I204 Q205 D206 K211 N212 | I204-F208 HydrophobicContact CG2-CD2 3.69Å; I204-F208 HydrophobicContact CG2-CE2 3.4Å; I204-F208 VanDerWaalsContact CG2-CE2 3.4Å; I204-F208 WeakPolarHBondContact O-CD2 3.06Å; I204-F208 PolarHBondContact O-N 3.5Å; I204-F208 VanDerWaalsContact O-N 3.09Å; Q205-F208 PolarHBondContact O-N 3.33Å; D206-F208 VanDerWaalsContact C-N 3.3Å; D206-F208 PolarHBondContact O-N 3.05Å; F208-K211 PolarHBondContact O-N 3.49Å; F208-N212 PolarHBondContact O-ND2 2.89Å |
| 209 | N | 81.4 | Confident | 70 | Confident | 86 Ų | 86 | 116.3 Ų | 116.3 | 46% | 0.46 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -66.8 | -36.5 | 177.7 | -74.9 | -21.7 | 0 | 0 | 0 | 112.6 | Q205 D206 N212 | Q205-N209 WeakPolarHBondContact O-CB 3.33Å; Q205-N209 VanDerWaalsContact O-CG 3.22Å; Q205-N209 PolarHBondContact O-N 3.43Å; Q205-N209 PolarHBondContact O-ND2 3.14Å; D206-N209 PolarHBondContact O-N 3.48Å; N209-N212 PolarHBondContact O-N 3.44Å |
| 210 | V | 72 | Confident | 68.2 | Low | 92 Ų | 92 | 115.1 Ų | 115.1 | 56% | 0.558 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -65.4 | -41.1 | 177.5 | 170.4 | 0 | 0 | 0 | 0 | 111.6 | D206 N212 R213 S214 | D206-V210 VanDerWaalsContact O-CG2 3.27Å; D206-V210 WeakPolarHBondContact O-CG2 3.28Å; D206-V210 PolarHBondContact O-N 3.44Å; V210-N212 VanDerWaalsContact C-N 3.27Å; V210-N212 PolarHBondContact O-N 2.9Å; V210-R213 WeakPolarHBondContact O-CB 3.48Å; V210-R213 PolarHBondContact O-N 2.74Å; V210-S214 PolarHBondContact O-N 3.27Å |
| 211 | K | 62.5 | Low | 66.5 | Low | 146 Ų | 146 | 121.7 Ų | 121.7 | 64% | 0.635 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -62.1 | -33.2 | 177.8 | -80.4 | -175.7 | 176.6 | -179.3 | 0 | 113.2 | I207 F208 R213 S214 | I207-K211 PolarHBondContact O-N 3.16Å; F208-K211 PolarHBondContact O-N 3.49Å; K211-R213 PolarHBondContact O-N 3.19Å; K211-S214 PolarHBondContact O-N 3.36Å; K211-S214 PolarHBondContact O-OG 3.37Å |
| 212 | N | 63.7 | Low | 64.8 | Low | 141 Ų | 141 | 128.9 Ų | 128.9 | 75% | 0.754 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | -11.8 | 175.2 | -65 | -25.6 | 0 | 0 | 0 | 113.1 | F208 N209 V210 | F208-N212 PolarHBondContact O-ND2 2.89Å; N209-N212 PolarHBondContact O-N 3.44Å; V210-N212 VanDerWaalsContact C-N 3.27Å; V210-N212 PolarHBondContact O-N 2.9Å |
| 213 | R | 56.3 | Low | 63.8 | Low | 217 Ų | 217 | 128.9 Ų | 128.9 | 82% | 0.819 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.3 | -17.8 | 176.8 | -62.8 | -176.6 | -171.5 | 178.6 | 3.1 | 113.9 | V210 K211 | V210-R213 WeakPolarHBondContact O-CB 3.48Å; V210-R213 PolarHBondContact O-N 2.74Å; K211-R213 PolarHBondContact O-N 3.19Å |
| 214 | S | 54 | Low | 62.7 | Low | 74 Ų | 74 | 128.6 Ų | 128.6 | 52% | 0.517 | 67% | 0.673 | S | S | . | * | S | Bend | trans | -95.6 | 110.1 | -175.6 | 54 | 0 | 0 | 0 | 0 | 112 | V210 K211 | V210-S214 PolarHBondContact O-N 3.27Å; K211-S214 PolarHBondContact O-N 3.36Å; K211-S214 PolarHBondContact O-OG 3.37Å |
| 215 | S | 43.7 | Very low | 61.4 | Low | 114 Ų | 114 | 131.8 Ų | 131.8 | 80% | 0.797 | 69% | 0.69 | S | S | * | * | trans | 81.5 | 109.8 | 179.1 | 70.1 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 216 | P | 47.9 | Very low | 60.1 | Low | 122 Ų | 122 | 135.5 Ų | 135.5 | 79% | 0.792 | 71% | 0.712 | S | S | * | * | -146.9 | 111.4 | 62.2 | 30.9 | -8.2 | 0 | 0 | 0 | 115.4 | |||||
| 217 | L | 46.1 | Very low | 58.6 | Low | 144 Ų | 144 | 138.2 Ų | 138.2 | 75% | 0.754 | 73% | 0.725 | S | S | * | * | trans | -155.7 | 71.7 | 156.5 | -75.3 | -175.9 | 0 | 0 | 0 | 109.1 | E219 | L217-E219 HydrophobicContact CB-CG 4.38Å; L217-E219 HydrophobicContact CD2-CG 4.06Å | ||
| 218 | E | 50.2 | Low | 56.9 | Low | 201 Ų | 201 | 141.9 Ų | 141.9 | 94% | 0.939 | 75% | 0.745 | S | S | * | * | trans | -90.8 | 85.1 | 143.7 | -75.7 | -107 | 148.6 | 0 | 0 | 104.5 | G220 | E218-G220 PolarHBondContact O-N 3.46Š| ||
| 219 | E | 45.9 | Very low | 55.3 | Low | 145 Ų | 145 | 143.4 Ų | 143.4 | 68% | 0.678 | 76% | 0.76 | S | S | * | * | trans | -54.2 | 125.7 | 167.9 | -68.5 | 176.2 | 164.4 | 0 | 0 | 108.1 | L217 K221 | L217-E219 HydrophobicContact CB-CG 4.38Å; L217-E219 HydrophobicContact CD2-CG 4.06Å; E219-K221 PolarHBondContact O-N 3.38Å | ||
| 220 | G | 48.1 | Very low | 53.3 | Low | 74 Ų | 74 | 147.8 Ų | 147.8 | 76% | 0.763 | 78% | 0.783 | S | S | * | * | trans | -56.1 | 105.1 | 165.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | E218 L222 | E218-G220 PolarHBondContact O-N 3.46Å; G220-L222 PolarHBondContact O-N 2.74Å | ||
| 221 | K | 51 | Low | 51.7 | Low | 205 Ų | 205 | 152.4 Ų | 152.4 | 89% | 0.891 | 80% | 0.802 | S | S | * | * | trans | -74.4 | 110.1 | 154.1 | -86.1 | -178.4 | 177.2 | 179.6 | 0 | 107.2 | E219 | E219-K221 PolarHBondContact O-N 3.38Š| ||
| 222 | L | 50.9 | Low | 50.7 | Low | 246 Ų | 246 | 153 Ų | 153 | 100% | 1.288 | 82% | 0.818 | S | S | * | * | trans | -48.9 | 0 | 163.4 | -66.6 | 163.9 | 0 | 0 | 0 | 111.7 | G220 | G220-L222 PolarHBondContact O-N 2.74Š|
Retrieved 222 of 222 residues in 447.4 ms
(Link to these results)