| 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 | 49.1 | Very low | 42.1 | Very low | 238 Ų | 238 | 169.5 Ų | 169.5 | 100% | 1.172 | 85% | 0.848 | S | S | * | * | 0 | 111.2 | 0 | -71.9 | 172.6 | 103.6 | 0 | 0 | 108.1 | |||||
| 2 | P | 46.3 | Very low | 41.4 | Very low | 123 Ų | 123 | 161.6 Ų | 161.6 | 80% | 0.799 | 84% | 0.841 | S | S | * | * | -148.5 | -174.1 | 116 | 36.2 | -17.8 | 0 | 0 | 0 | 111.5 | |||||
| 3 | P | 55.7 | Low | 40.8 | Very low | 106 Ų | 106 | 165.5 Ų | 165.5 | 69% | 0.688 | 85% | 0.847 | S | S | * | * | cis | -134.8 | 170.7 | -44.6 | 36 | -18.4 | 0 | 0 | 0 | 114.6 | ||||
| 4 | K | 45.5 | Very low | 40.6 | Very low | 174 Ų | 174 | 160.4 Ų | 160.4 | 76% | 0.757 | 83% | 0.834 | S | S | * | * | trans | 76.4 | 113.4 | 139 | -84.3 | 166.6 | 176.1 | 166.4 | 0 | 123.8 | ||||
| 5 | Q | 41.2 | Very low | 40.5 | Very low | 171 Ų | 171 | 162.5 Ų | 162.5 | 80% | 0.799 | 83% | 0.834 | S | S | * | * | 93.4 | 123.9 | 120.4 | -79 | 173.6 | -17.5 | 0 | 0 | 122.3 | |||||
| 6 | D | 45.9 | Very low | 40.1 | Very low | 153 Ų | 153 | 162.9 Ų | 162.9 | 82% | 0.818 | 83% | 0.828 | S | S | * | * | trans | -66.2 | 153.9 | 174.2 | -52.2 | -91.1 | 0 | 0 | 0 | 116.2 | ||||
| 7 | K | 36.8 | Very low | 40.3 | Very low | 209 Ų | 209 | 160.1 Ų | 160.1 | 91% | 0.909 | 82% | 0.815 | S | S | * | * | -176.1 | 123.8 | 120.7 | -103.1 | 168.7 | -176.8 | 173.6 | 0 | 113.9 | |||||
| 8 | K | 42.4 | Very low | 40.3 | Very low | 208 Ų | 208 | 162.6 Ų | 162.6 | 90% | 0.904 | 82% | 0.82 | S | S | * | * | trans | -54.4 | 148.3 | 162 | -85.7 | 173.5 | 167.5 | 171.6 | 0 | 112.6 | ||||
| 9 | K | 30.2 | Very low | 40.1 | Very low | 207 Ų | 207 | 161.2 Ų | 161.2 | 90% | 0.9 | 82% | 0.815 | S | S | * | * | -166.1 | 128 | 118.8 | -144.4 | 171.5 | 179.7 | -179.3 | 0 | 113.1 | |||||
| 10 | D | 36.2 | Very low | 40.4 | Very low | 140 Ų | 140 | 159.1 Ų | 159.1 | 75% | 0.749 | 81% | 0.812 | S | S | * | * | trans | -88.7 | 144.3 | 175.5 | -154.3 | -63.4 | 0 | 0 | 0 | 109.8 | ||||
| 11 | T | 33.7 | Very low | 40.6 | Very low | 136 Ų | 136 | 157.7 Ų | 157.7 | 83% | 0.834 | 81% | 0.812 | S | S | * | * | trans | 167.4 | 121.8 | 136 | 26.7 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 12 | G | 33.4 | Very low | 40.5 | Very low | 74 Ų | 74 | 153.1 Ų | 153.1 | 76% | 0.763 | 79% | 0.792 | S | S | * | * | 110.3 | 99.9 | 128.9 | 0 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 13 | K | 34.2 | Very low | 40.5 | Very low | 212 Ų | 212 | 156.8 Ų | 156.8 | 92% | 0.922 | 80% | 0.795 | S | S | * | * | trans | 23 | 144.4 | 136.3 | -86.7 | 172.6 | 177.2 | 170.3 | 0 | 120.7 | ||||
| 14 | S | 38.2 | Very low | 40 | Very low | 95 Ų | 95 | 157 Ų | 157 | 66% | 0.664 | 80% | 0.799 | S | S | * | * | cis | 175.5 | 164.2 | 21.5 | 46.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 15 | K | 38.3 | Very low | 40 | Very low | 192 Ų | 192 | 151.4 Ų | 151.4 | 84% | 0.835 | 79% | 0.791 | S | S | * | * | trans | 75 | 139.4 | 160.9 | -72.6 | 172.9 | -178.9 | 171 | 0 | 116.8 | ||||
| 16 | K | 34.5 | Very low | 40.8 | Very low | 168 Ų | 168 | 147.4 Ų | 147.4 | 73% | 0.73 | 80% | 0.796 | S | S | * | * | cis | -168.1 | 153.4 | 22.8 | -126.3 | 179.2 | 165.1 | -169.2 | 0 | 110.5 | ||||
| 17 | D | 43.6 | Very low | 41.3 | Very low | 115 Ų | 115 | 149.9 Ų | 149.9 | 62% | 0.615 | 80% | 0.799 | S | S | * | * | trans | 59.8 | 102.8 | 147.8 | -53.8 | -35.3 | 0 | 0 | 0 | 121.4 | ||||
| 18 | K | 40.5 | Very low | 42.4 | Very low | 206 Ų | 206 | 144.1 Ų | 144.1 | 90% | 0.896 | 79% | 0.791 | S | S | * | * | trans | -158.6 | 98.3 | 134.1 | -105.8 | 173.9 | -170.7 | 179.8 | 0 | 108.7 | P20 | K18-P20 WeakPolarHBondContact O-CD 3Š| ||
| 19 | D | 37.2 | Very low | 43.4 | Very low | 136 Ų | 136 | 144.2 Ų | 144.2 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | trans | -55.7 | 126.3 | 173 | -63 | -79.2 | 0 | 0 | 0 | 111.8 | V21 | D19-V21 VanDerWaalsContact C-N 3.33Å; D19-V21 HydrophobicContact CB-CG2 4.31Å; D19-V21 PolarHBondContact O-N 3.35Å | ||
| 20 | P | 45.1 | Very low | 45.3 | Very low | 118 Ų | 118 | 143.6 Ų | 143.6 | 77% | 0.766 | 79% | 0.788 | S | S | * | * | trans | -86.9 | 85.2 | 153.7 | 32.9 | -25.4 | 0 | 0 | 0 | 107.4 | K18 N22 | K18-P20 WeakPolarHBondContact O-CD 3Å; P20-N22 PolarHBondContact O-N 2.81Å | ||
| 21 | V | 45 | Very low | 46.9 | Very low | 131 Ų | 131 | 144.5 Ų | 144.5 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | trans | -53.6 | 123.2 | 160.9 | 165.8 | 0 | 0 | 0 | 0 | 107.7 | D19 | D19-V21 VanDerWaalsContact C-N 3.33Å; D19-V21 HydrophobicContact CB-CG2 4.31Å; D19-V21 PolarHBondContact O-N 3.35Å | ||
| 22 | N | 47.1 | Very low | 48.7 | Very low | 141 Ų | 141 | 145.3 Ų | 145.3 | 75% | 0.754 | 78% | 0.777 | S | S | * | * | trans | 85.2 | 58.9 | 165.4 | -139.1 | -6 | 0 | 0 | 0 | 118.4 | P20 | P20-N22 PolarHBondContact O-N 2.81Š| ||
| 23 | K | 46.8 | Very low | 50.6 | Low | 201 Ų | 201 | 152.3 Ų | 152.3 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | trans | -101.2 | 77.4 | 144.8 | -98.2 | 177 | 179.4 | 167.6 | 0 | 109 | G25 | K23-G25 PolarHBondContact O-N 3.25Å; K23-G25 VanDerWaalsContact O-N 3.14Å | ||
| 24 | S | 44.7 | Very low | 52.5 | Low | 109 Ų | 109 | 146.3 Ų | 146.3 | 76% | 0.762 | 77% | 0.766 | S | S | * | * | trans | -58.4 | 117.7 | 167.6 | -178.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 25 | G | 46.2 | Very low | 53.9 | Low | 57 Ų | 57 | 151.2 Ų | 151.2 | 59% | 0.588 | 78% | 0.775 | S | S | * | * | trans | -56.9 | 133.1 | -164.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | K23 K27 | K23-G25 PolarHBondContact O-N 3.25Å; K23-G25 VanDerWaalsContact O-N 3.14Å; G25-K27 VanDerWaalsContact C-N 3.28Å; G25-K27 PolarHBondContact O-N 3.48Å | ||
| 26 | G | 56.8 | Low | 55.5 | Low | 88 Ų | 88 | 145.6 Ų | 145.6 | 91% | 0.907 | 77% | 0.772 | S | S | * | * | trans | -54.7 | 93.5 | 160.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | A28 | G26-A28 PolarHBondContact O-N 2.94Å; G26-A28 VanDerWaalsContact O-N 3.11Å | ||
| 27 | K | 57.3 | Low | 57.1 | Low | 205 Ų | 205 | 147.4 Ų | 147.4 | 89% | 0.891 | 78% | 0.78 | S | S | * | * | trans | -65 | 111.7 | 168.1 | -80.7 | -178.9 | 176.6 | 175.7 | 0 | 107.6 | G25 | G25-K27 VanDerWaalsContact C-N 3.28Å; G25-K27 PolarHBondContact O-N 3.48Å | ||
| 28 | A | 59.1 | Low | 58.4 | Low | 88 Ų | 88 | 148.5 Ų | 148.5 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | trans | 6.2 | 122.7 | 161.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | G26 K30 | G26-A28 PolarHBondContact O-N 2.94Å; G26-A28 VanDerWaalsContact O-N 3.11Å; A28-K30 VanDerWaalsContact C-N 3.31Å; A28-K30 PolarHBondContact O-N 3.33Å | ||
| 29 | K | 63.5 | Low | 60.1 | Low | 210 Ų | 210 | 148.9 Ų | 148.9 | 91% | 0.913 | 79% | 0.786 | S | S | * | * | trans | -41.2 | 95.3 | 160.8 | -79.5 | 175 | 176.7 | 169.4 | 0 | 109.5 | K31 | K29-K31 PolarHBondContact O-N 3Å; K29-K31 VanDerWaalsContact O-N 3.08Å | ||
| 30 | K | 70.4 | Confident | 62.3 | Low | 193 Ų | 193 | 149.4 Ų | 149.4 | 84% | 0.839 | 79% | 0.789 | S | S | * | * | trans | -55.6 | 118.7 | 161.8 | -175.8 | 172 | -176.3 | 172.2 | 0 | 105 | A28 K32 | A28-K30 VanDerWaalsContact C-N 3.31Å; A28-K30 PolarHBondContact O-N 3.33Å; K30-K32 PolarHBondContact O-N 2.91Å | ||
| 31 | K | 70.1 | Confident | 64.1 | Low | 159 Ų | 159 | 152.7 Ų | 152.7 | 69% | 0.691 | 79% | 0.791 | S | S | * | * | trans | -61.3 | 92.6 | 177.9 | -141.4 | -180 | -175.9 | -170.2 | 0 | 106.3 | K29 W33 | K29-K31 PolarHBondContact O-N 3Å; K29-K31 VanDerWaalsContact O-N 3.08Å; K31-W33 HydrophobicContact CD-CZ2 3.98Å; K31-W33 PolarHBondContact O-N 2.87Å | ||
| 32 | K | 70.6 | Confident | 65.9 | Low | 153 Ų | 153 | 151.6 Ų | 151.6 | 67% | 0.665 | 78% | 0.78 | S | S | * | * | trans | -88.2 | 89.8 | 177.9 | -158 | 172.7 | -175.4 | 177.2 | 0 | 104.6 | K30 S34 K35 | K30-K32 PolarHBondContact O-N 2.91Å; K32-S34 PolarHBondContact O-N 3.25Å; K32-K35 PolarHBondContact O-N 3.18Å | ||
| 33 | W | 72.9 | Confident | 67.8 | Low | 221 Ų | 221 | 151.7 Ų | 151.7 | 84% | 0.837 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -61.6 | -7.8 | 179.6 | -67.3 | 74.2 | 0 | 0 | 0 | 112.6 | K31 | K31-W33 HydrophobicContact CD-CZ2 3.98Å; K31-W33 PolarHBondContact O-N 2.87Å |
| 34 | S | 75 | Confident | 69.9 | Low | 87 Ų | 87 | 145.2 Ų | 145.2 | 61% | 0.608 | 76% | 0.756 | S | S | * | * | trans | -113.7 | 72.7 | 170 | 54.9 | 0 | 0 | 0 | 0 | 111.3 | K32 | K32-S34 PolarHBondContact O-N 3.25Š| ||
| 35 | K | 68.2 | Low | 72.1 | Confident | 198 Ų | 198 | 143.1 Ų | 143.1 | 86% | 0.861 | 74% | 0.736 | S | S | * | * | trans | -102.5 | 69.5 | 170.1 | -151.4 | -179.4 | -172.9 | -172.8 | 0 | 109.4 | K32 | K32-K35 PolarHBondContact O-N 3.18Š| ||
| 36 | G | 70.6 | Confident | 74.2 | Confident | 74 Ų | 74 | 144.5 Ų | 144.5 | 76% | 0.763 | 73% | 0.732 | S | S | * | * | trans | 160.5 | 40 | 178.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 37 | K | 67.5 | Low | 75.8 | Confident | 205 Ų | 205 | 146.8 Ų | 146.8 | 89% | 0.891 | 72% | 0.723 | S | S | * | * | trans | -115.4 | 40.8 | 168.8 | -153.7 | 178.6 | -176.6 | 178.1 | 0 | 112 | ||||
| 38 | V | 72.3 | Confident | 77.4 | Confident | 138 Ų | 138 | 139.6 Ų | 139.6 | 84% | 0.836 | 69% | 0.692 | S | S | * | * | trans | -95.1 | 108.8 | 169.1 | -176.7 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 39 | R | 76.6 | Confident | 78.9 | Confident | 214 Ų | 214 | 139.8 Ų | 139.8 | 81% | 0.808 | 68% | 0.681 | S | S | * | * | trans | -61.7 | 138.4 | 171.8 | -169.6 | 164.9 | -173.9 | 158.5 | 0.2 | 108 | ||||
| 40 | D | 83.1 | Confident | 80.2 | Confident | 148 Ų | 148 | 138.1 Ų | 138.1 | 79% | 0.791 | 67% | 0.674 | S | S | * | * | trans | -52.6 | 147.4 | 177.8 | -72.6 | -53.9 | 0 | 0 | 0 | 111.5 | L42 | D40-L42 PolarHBondContact O-N 3.2Š| ||
| 41 | K | 82.6 | Confident | 81.2 | Confident | 186 Ų | 186 | 131.9 Ų | 131.9 | 81% | 0.809 | 66% | 0.658 | S | S | * | * | trans | -64.4 | 110.3 | -176.8 | -170.6 | 178 | -72.1 | -179.2 | 0 | 108.8 | N43 | K41-N43 PolarHBondContact O-N 2.89Š| ||
| 42 | L | 82.5 | Confident | 82.2 | Confident | 109 Ų | 109 | 125.1 Ų | 125.1 | 57% | 0.571 | 63% | 0.63 | S | S | * | * | trans | -73.1 | 123 | 174.3 | -68.8 | 173.1 | 0 | 0 | 0 | 109.5 | D40 N44 | D40-L42 PolarHBondContact O-N 3.2Å; L42-N44 PolarHBondContact O-N 3.47Å | ||
| 43 | N | 87.6 | Confident | 83.2 | Confident | 142 Ų | 142 | 121.5 Ų | 121.5 | 76% | 0.759 | 61% | 0.613 | S | S | * | * | trans | -89.9 | 90 | 175.8 | -67.4 | -27.5 | 0 | 0 | 0 | 109.3 | K41 | K41-N43 PolarHBondContact O-N 2.89Š| ||
| 44 | N | 90.7 | Very high | 84 | Confident | 65 Ų | 65 | 114.6 Ų | 114.6 | 35% | 0.348 | 59% | 0.592 | S | S | . | * | trans | -83.9 | 139.3 | 174.8 | -64.3 | -22.1 | 0 | 0 | 0 | 110.7 | L42 K76 | L42-N44 PolarHBondContact O-N 3.47Å; N44-K76 CarbonylContact C-O 3.58Å; N44-K76 VanDerWaalsContact CA-O 3.32Å; N44-K76 WeakPolarHBondContact CA-O 3.38Å | ||
| 45 | L | 90.4 | Very high | 84.8 | Confident | 66 Ų | 66 | 115.6 Ų | 115.6 | 35% | 0.346 | 59% | 0.586 | S | S | . | * | B | Isolated β-bridge | trans | -67.4 | 140.1 | 178.6 | -62.1 | 171.2 | 0 | 0 | 0 | 111.2 | T52 K76 R78 | L45-T52 HydrophobicContact CD1-CG2 4.09Å; L45-K76 PolarHBondContact N-O 2.8Å; L45-R78 PolarHBondContact O-N 2.99Å |
| 46 | V | 90.1 | Very high | 85.9 | Confident | 85 Ų | 85 | 106.4 Ų | 106.4 | 52% | 0.515 | 55% | 0.546 | S | S | . | . | S | Bend | trans | -99.9 | -19.7 | -179 | -177 | 0 | 0 | 0 | 0 | 112 | L81 | V46-L81 WeakPolarHBondContact O-CD1 3.47Š|
| 47 | L | 91.1 | Very high | 86.9 | Confident | 136 Ų | 136 | 105.1 Ų | 105.1 | 71% | 0.712 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -127.1 | 156.5 | 174.6 | -69.2 | 172 | 0 | 0 | 0 | 109.1 | ||
| 48 | F | 89.5 | Confident | 87.9 | Confident | 55 Ų | 55 | 102.7 Ų | 102.7 | 24% | 0.241 | 51% | 0.507 | C | S | . | . | trans | -79.3 | 132.4 | 172.4 | -75.5 | -65.7 | 0 | 0 | 0 | 110.4 | Y53 L56 I77 L81 A85 | F48-Y53 HydrophobicContact CB-CD2 4.24Å; F48-Y53 HydrophobicContact CD1-CD2 4.41Å; F48-Y53 AromaticContact CD2-CD2 3.96Å; F48-Y53 HydrophobicContact CD2-CD2 3.96Å; F48-Y53 HydrophobicContact CD2-CE2 4.36Å; F48-Y53 HydrophobicContact CE2-CD2 4.35Å; F48-Y53 AromaticContact CG-CD2 3.98Å; F48-Y53 HydrophobicContact CG-CD2 3.98Å; F48-L56 HydrophobicContact CE1-CD1 3.66Å; F48-L56 HydrophobicContact CZ-CD1 3.43Å; F48-L56 VanDerWaalsContact CZ-CD1 3.43Å; F48-I77 HydrophobicContact CE1-CD1 4.12Å; F48-I77 HydrophobicContact CE1-CG2 4.25Å; F48-I77 HydrophobicContact CZ-CD1 4.28Å; F48-L81 HydrophobicContact CD1-CD2 3.91Å; F48-L81 HydrophobicContact CD2-CD1 4.03Å; F48-L81 HydrophobicContact CD2-CD2 3.77Å; F48-L81 HydrophobicContact CD2-CG 4.08Å; F48-L81 HydrophobicContact CE1-CD2 3.39Å; F48-L81 HydrophobicContact CE2-CD1 4.22Å; F48-L81 HydrophobicContact CE2-CD2 3.23Å; F48-L81 HydrophobicContact CE2-CG 3.74Å; F48-L81 HydrophobicContact CG-CD1 4.35Å; F48-L81 HydrophobicContact CG-CD2 4.09Å; F48-L81 HydrophobicContact CZ-CD2 3.02Å; F48-L81 HydrophobicContact CZ-CG 4.04Å; F48-A85 HydrophobicContact CE2-CB 3.9Å; F48-A85 HydrophobicContact CZ-CB 3.61Å | ||
| 49 | D | 91.6 | Very high | 88.8 | Confident | 92 Ų | 92 | 99.7 Ų | 99.7 | 49% | 0.492 | 48% | 0.484 | S | S | . | . | trans | -86.7 | 156 | 159.2 | -57.2 | -42.2 | 0 | 0 | 0 | 109.2 | A51 T52 Y53 | D49-A51 VanDerWaalsContact C-N 3.27Å; D49-A51 PolarHBondContact O-N 2.85Å; D49-T52 HydrophobicContact CB-CG2 4.36Å; D49-T52 PolarHBondContact N-OG1 3.27Å; D49-T52 PolarHBondContact O-N 3.46Å; D49-T52 PolarHBondContact O-OG1 3.34Å; D49-Y53 PolarHBondContact O-N 3.49Å | ||
| 50 | K | 90.2 | Very high | 89.4 | Confident | 175 Ų | 175 | 89.5 Ų | 89.5 | 76% | 0.761 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -51.1 | -46.8 | -179.8 | -162.1 | 178.7 | -173.1 | -165.5 | 0 | 112.5 | T52 Y53 D54 | K50-T52 VanDerWaalsContact C-N 3.33Å; K50-T52 PolarHBondContact O-N 3.44Å; K50-Y53 WeakPolarHBondContact O-CB 3.31Å; K50-Y53 PolarHBondContact O-N 3.35Å; K50-D54 VanDerWaalsContact O-CG 3.29Å; K50-D54 PolarHBondContact O-N 2.85Å |
| 51 | A | 92 | Very high | 89.8 | Confident | 61 Ų | 61 | 83.6 Ų | 83.6 | 50% | 0.504 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63.7 | -35 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | D49 K55 | D49-A51 VanDerWaalsContact C-N 3.27Å; D49-A51 PolarHBondContact O-N 2.85Å; A51-K55 VanDerWaalsContact O-CG 3.26Å; A51-K55 WeakPolarHBondContact O-CG 3.46Å; A51-K55 PolarHBondContact O-N 3.11Å |
| 52 | T | 90.3 | Very high | 90.1 | Very high | 18 Ų | 18 | 80.4 Ų | 80.4 | 11% | 0.11 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -76 | -32.8 | 177.8 | 61.3 | 0 | 0 | 0 | 0 | 112.1 | L45 D49 K50 K55 L56 | L45-T52 HydrophobicContact CD1-CG2 4.09Å; D49-T52 HydrophobicContact CB-CG2 4.36Å; D49-T52 PolarHBondContact N-OG1 3.27Å; D49-T52 PolarHBondContact O-N 3.46Å; D49-T52 PolarHBondContact O-OG1 3.34Å; K50-T52 VanDerWaalsContact C-N 3.33Å; K50-T52 PolarHBondContact O-N 3.44Å; T52-K55 PolarHBondContact O-N 3.14Å; T52-L56 PolarHBondContact O-N 3.4Å; T52-L56 VanDerWaalsContact O-N 3.07Å |
| 53 | Y | 91.8 | Very high | 90.5 | Very high | 77 Ų | 77 | 77.1 Ų | 77.1 | 30% | 0.302 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -64.8 | -50.1 | 174.7 | -162.9 | -113.5 | 0 | 0 | 0 | 110 | F48 D49 K50 K55 L56 Y57 | F48-Y53 HydrophobicContact CB-CD2 4.24Å; F48-Y53 HydrophobicContact CD1-CD2 4.41Å; F48-Y53 AromaticContact CD2-CD2 3.96Å; F48-Y53 HydrophobicContact CD2-CD2 3.96Å; F48-Y53 HydrophobicContact CD2-CE2 4.36Å; F48-Y53 HydrophobicContact CE2-CD2 4.35Å; F48-Y53 AromaticContact CG-CD2 3.98Å; F48-Y53 HydrophobicContact CG-CD2 3.98Å; D49-Y53 PolarHBondContact O-N 3.49Å; K50-Y53 WeakPolarHBondContact O-CB 3.31Å; K50-Y53 PolarHBondContact O-N 3.35Å; Y53-K55 VanDerWaalsContact C-N 3.27Å; Y53-K55 PolarHBondContact O-N 3.42Å; Y53-L56 VanDerWaalsContact O-CB 3.3Å; Y53-L56 WeakPolarHBondContact O-CB 3.24Å; Y53-L56 PolarHBondContact O-N 3.08Å; Y53-Y57 HydrophobicContact CD1-CD2 4.13Å; Y53-Y57 AromaticContact CD1-CE2 3.65Å; Y53-Y57 HydrophobicContact CD1-CE2 3.65Å; Y53-Y57 HydrophobicContact CD2-CE2 4.03Å; Y53-Y57 HydrophobicContact CE1-CD2 4.13Å; Y53-Y57 AromaticContact CE1-CE2 3.27Å; Y53-Y57 HydrophobicContact CE1-CE2 3.27Å; Y53-Y57 AromaticContact CE1-CZ 3.92Å; Y53-Y57 AromaticContact CE2-CE2 3.68Å; Y53-Y57 HydrophobicContact CE2-CE2 3.68Å; Y53-Y57 HydrophobicContact CG-CD2 4.48Å; Y53-Y57 HydrophobicContact CG-CE2 4.03Å; Y53-Y57 AromaticContact CZ-CE2 3.3Å; Y53-Y57 AromaticContact CZ-CZ 3.71Å; Y53-Y57 VanDerWaalsContact CZ-OH 3.28Å; Y53-Y57 VanDerWaalsContact O-CD2 3.27Å; Y53-Y57 WeakPolarHBondContact O-CD2 3.43Å; Y53-Y57 PolarHBondContact O-N 3.34Å; Y53-Y57 PolarHBondContact OH-OH 3.21Å |
| 54 | D | 91.4 | Very high | 90.7 | Very high | 76 Ų | 76 | 78.7 Ų | 78.7 | 41% | 0.406 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.2 | -37.2 | 178.6 | -63 | -26.9 | 0 | 0 | 0 | 112.5 | K50 L56 K58 | K50-D54 VanDerWaalsContact O-CG 3.29Å; K50-D54 PolarHBondContact O-N 2.85Å; D54-L56 VanDerWaalsContact C-N 3.34Å; D54-K58 WeakPolarHBondContact O-CG 3.5Å; D54-K58 PolarHBondContact O-N 3.24Å |
| 55 | K | 91.1 | Very high | 90.7 | Very high | 108 Ų | 108 | 80.2 Ų | 80.2 | 47% | 0.47 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -63.6 | -38.8 | 173.4 | -75.2 | 174.2 | -174.5 | -178.6 | 0 | 112.2 | A51 T52 Y53 Y57 K58 E59 L75 | A51-K55 VanDerWaalsContact O-CG 3.26Å; A51-K55 WeakPolarHBondContact O-CG 3.46Å; A51-K55 PolarHBondContact O-N 3.11Å; T52-K55 PolarHBondContact O-N 3.14Å; Y53-K55 VanDerWaalsContact C-N 3.27Å; Y53-K55 PolarHBondContact O-N 3.42Å; K55-Y57 PolarHBondContact O-N 3.37Å; K55-K58 PolarHBondContact O-N 3.38Å; K55-E59 VanDerWaalsContact O-CB 3.26Å; K55-E59 WeakPolarHBondContact O-CB 3.24Å; K55-E59 WeakPolarHBondContact O-CG 3.42Å; K55-E59 PolarHBondContact O-N 3.05Å; K55-L75 HydrophobicContact CB-CD2 4Å |
| 56 | L | 91.3 | Very high | 90.9 | Very high | 4 Ų | 4 | 77 Ų | 77 | 2% | 0.021 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -60.8 | -45.5 | 179.6 | -178.2 | 144.1 | 0 | 0 | 0 | 111.6 | F48 T52 Y53 D54 K58 V60 L75 A85 L89 | F48-L56 HydrophobicContact CE1-CD1 3.66Å; F48-L56 HydrophobicContact CZ-CD1 3.43Å; F48-L56 VanDerWaalsContact CZ-CD1 3.43Å; T52-L56 PolarHBondContact O-N 3.4Å; T52-L56 VanDerWaalsContact O-N 3.07Å; Y53-L56 VanDerWaalsContact O-CB 3.3Å; Y53-L56 WeakPolarHBondContact O-CB 3.24Å; Y53-L56 PolarHBondContact O-N 3.08Å; D54-L56 VanDerWaalsContact C-N 3.34Å; L56-K58 VanDerWaalsContact C-N 3.34Å; L56-K58 PolarHBondContact O-N 3.13Å; L56-V60 HydrophobicContact CG-CG2 3.91Å; L56-V60 WeakPolarHBondContact O-CB 3.26Å; L56-V60 WeakPolarHBondContact O-CG2 3.5Å; L56-V60 PolarHBondContact O-N 2.84Å; L56-V60 VanDerWaalsContact O-N 3.11Å; L56-L75 HydrophobicContact CB-CD1 3.97Å; L56-L75 HydrophobicContact CD1-CD1 4.06Å; L56-L75 HydrophobicContact CG-CD1 4.23Å; L56-A85 HydrophobicContact CD1-CB 3.59Å; L56-L89 HydrophobicContact CD2-CD1 3.63Å; L56-L89 HydrophobicContact CD2-CD2 3.87Å; L56-L89 HydrophobicContact CD2-CG 3.83Å; L56-L89 HydrophobicContact CG-CD1 4.36Å |
| 57 | Y | 90.5 | Very high | 91.1 | Very high | 48 Ų | 48 | 73.8 Ų | 73.8 | 19% | 0.188 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -65.5 | -36.2 | 179.4 | -77.2 | -87.3 | 0 | 0 | 0 | 113.2 | Y53 K55 P61 L89 K92 M94 | Y53-Y57 HydrophobicContact CD1-CD2 4.13Å; Y53-Y57 AromaticContact CD1-CE2 3.65Å; Y53-Y57 HydrophobicContact CD1-CE2 3.65Å; Y53-Y57 HydrophobicContact CD2-CE2 4.03Å; Y53-Y57 HydrophobicContact CE1-CD2 4.13Å; Y53-Y57 AromaticContact CE1-CE2 3.27Å; Y53-Y57 HydrophobicContact CE1-CE2 3.27Å; Y53-Y57 AromaticContact CE1-CZ 3.92Å; Y53-Y57 AromaticContact CE2-CE2 3.68Å; Y53-Y57 HydrophobicContact CE2-CE2 3.68Å; Y53-Y57 HydrophobicContact CG-CD2 4.48Å; Y53-Y57 HydrophobicContact CG-CE2 4.03Å; Y53-Y57 AromaticContact CZ-CE2 3.3Å; Y53-Y57 AromaticContact CZ-CZ 3.71Å; Y53-Y57 VanDerWaalsContact CZ-OH 3.28Å; Y53-Y57 VanDerWaalsContact O-CD2 3.27Å; Y53-Y57 WeakPolarHBondContact O-CD2 3.43Å; Y53-Y57 PolarHBondContact O-N 3.34Å; Y53-Y57 PolarHBondContact OH-OH 3.21Å; K55-Y57 PolarHBondContact O-N 3.37Å; Y57-P61 WeakPolarHBondContact O-CD 3.33Å; Y57-P61 VanDerWaalsContact O-CG 3.32Å; Y57-P61 WeakPolarHBondContact O-CG 3.2Å; Y57-L89 HydrophobicContact CD1-CD2 4.07Å; Y57-L89 HydrophobicContact CE1-CD2 4Å; Y57-K92 HydrophobicContact CE1-CD 3.92Å; Y57-K92 PolarHBondContact OH-NZ 2.69Å; Y57-M94 HydrophobicContact CD1-CE 3.52Å; Y57-M94 HydrophobicContact CD1-SD 3.95Å; Y57-M94 HydrophobicContact CE1-CE 3.51Å |
| 58 | K | 89.8 | Confident | 91.3 | Very high | 153 Ų | 153 | 68.1 Ų | 68.1 | 67% | 0.665 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -83.1 | -41.4 | -177.3 | -67.2 | 176.8 | -178.4 | 177.6 | 0 | 112.7 | D54 K55 L56 N62 | D54-K58 WeakPolarHBondContact O-CG 3.5Å; D54-K58 PolarHBondContact O-N 3.24Å; K55-K58 PolarHBondContact O-N 3.38Å; L56-K58 VanDerWaalsContact C-N 3.34Å; L56-K58 PolarHBondContact O-N 3.13Å; K58-N62 PolarHBondContact O-ND2 3.02Å |
| 59 | E | 89.8 | Confident | 91.4 | Very high | 75 Ų | 75 | 68.6 Ų | 68.6 | 35% | 0.35 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -92.1 | -37.2 | -169.9 | -63.3 | -178 | -177 | 0 | 0 | 113.2 | K55 N62 Y63 | K55-E59 VanDerWaalsContact O-CB 3.26Å; K55-E59 WeakPolarHBondContact O-CB 3.24Å; K55-E59 WeakPolarHBondContact O-CG 3.42Å; K55-E59 PolarHBondContact O-N 3.05Å; E59-N62 PolarHBondContact O-N 3.13Å; E59-Y63 HydrophobicContact CB-CE2 4.33Å; E59-Y63 WeakPolarHBondContact O-CD2 3.32Å; E59-Y63 WeakPolarHBondContact O-CE2 3.5Å; E59-Y63 PolarHBondContact OE2-OH 3.02Å |
| 60 | V | 90.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 33% | 0.331 | C | S | . | . | G | 310 helix | trans | -64.9 | -43.2 | -173.2 | 177.3 | 0 | 0 | 0 | 0 | 113 | L56 N62 Y63 I66 V71 L75 L86 L89 | L56-V60 HydrophobicContact CG-CG2 3.91Å; L56-V60 WeakPolarHBondContact O-CB 3.26Å; L56-V60 WeakPolarHBondContact O-CG2 3.5Å; L56-V60 PolarHBondContact O-N 2.84Å; L56-V60 VanDerWaalsContact O-N 3.11Å; V60-N62 PolarHBondContact O-N 3.28Å; V60-Y63 HydrophobicContact CB-CD2 4.5Å; V60-Y63 HydrophobicContact CG2-CE2 4.23Å; V60-Y63 PolarHBondContact O-N 3.49Å; V60-I66 HydrophobicContact CG1-CD1 4.35Å; V60-I66 HydrophobicContact CG1-CG1 4.48Å; V60-I66 HydrophobicContact CG1-CG2 3.87Å; V60-I66 VanDerWaalsContact O-CD1 3.24Å; V60-I66 WeakPolarHBondContact O-CD1 3.2Å; V60-V71 HydrophobicContact CG1-CG2 4.46Å; V60-V71 HydrophobicContact CG2-CG1 4.39Å; V60-V71 HydrophobicContact CG2-CG2 4.49Å; V60-L75 HydrophobicContact CG2-CD1 4.18Å; V60-L86 HydrophobicContact CG1-CD2 4.09Å; V60-L89 HydrophobicContact CB-CD1 3.92Å; V60-L89 HydrophobicContact CG1-CD1 3.58Å |
| 61 | P | 90.7 | Very high | 91.6 | Very high | 24 Ų | 24 | 57.6 Ų | 57.6 | 16% | 0.156 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -64.8 | -21.9 | 177 | -23.8 | 36.5 | 0 | 0 | 0 | 113.8 | Y57 Y63 M94 R109 | Y57-P61 WeakPolarHBondContact O-CD 3.33Å; Y57-P61 VanDerWaalsContact O-CG 3.32Å; Y57-P61 WeakPolarHBondContact O-CG 3.2Å; P61-Y63 VanDerWaalsContact C-N 3.33Å; P61-M94 HydrophobicContact CG-CB 4.15Å; P61-M94 HydrophobicContact CG-SD 4.18Å; P61-R109 WeakPolarHBondContact O-CB 3.05Å |
| 62 | N | 89.8 | Confident | 91.6 | Very high | 119 Ų | 119 | 56.2 Ų | 56.2 | 64% | 0.636 | 28% | 0.282 | S | S | * | . | G | 310 helix | trans | -77.2 | -19.1 | 179.6 | -71.3 | -25 | 0 | 0 | 0 | 113.2 | K58 E59 V60 | K58-N62 PolarHBondContact O-ND2 3.02Å; E59-N62 PolarHBondContact O-N 3.13Å; V60-N62 PolarHBondContact O-N 3.28Å |
| 63 | Y | 91 | Very high | 91.6 | Very high | 40 Ų | 40 | 61.9 Ų | 61.9 | 16% | 0.157 | 31% | 0.307 | C | S | . | . | trans | -71.9 | 136.6 | -177.3 | -60.5 | -40.7 | 0 | 0 | 0 | 112.4 | E59 V60 P61 R74 | E59-Y63 HydrophobicContact CB-CE2 4.33Å; E59-Y63 WeakPolarHBondContact O-CD2 3.32Å; E59-Y63 WeakPolarHBondContact O-CE2 3.5Å; E59-Y63 PolarHBondContact OE2-OH 3.02Å; V60-Y63 HydrophobicContact CB-CD2 4.5Å; V60-Y63 HydrophobicContact CG2-CE2 4.23Å; V60-Y63 PolarHBondContact O-N 3.49Å; P61-Y63 VanDerWaalsContact C-N 3.33Å; Y63-R74 VanDerWaalsContact OH-CD 3.31Å; Y63-R74 WeakPolarHBondContact OH-CD 3.3Å | ||
| 64 | K | 91.3 | Very high | 91.6 | Very high | 176 Ų | 176 | 65.3 Ų | 65.3 | 77% | 0.765 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -66.3 | -39.4 | 174.6 | -174.5 | 175.3 | -179.7 | 178.1 | 0 | 112.2 | ||
| 65 | L | 91.9 | Very high | 91.5 | Very high | 96 Ų | 96 | 62.5 Ų | 62.5 | 50% | 0.503 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -120.8 | 119.1 | 178.9 | 177.2 | 65.9 | 0 | 0 | 0 | 109.1 | T67 I106 | L65-T67 HydrophobicContact CD1-CG2 4.07Å; L65-T67 HydrophobicContact CG-CG2 4.21Å; L65-I106 HydrophobicContact CD1-CG2 4.02Å |
| 66 | I | 93.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 30% | 0.304 | C | S | . | . | B | Isolated β-bridge | trans | -116.2 | 113.4 | -177.8 | -58.6 | 167.3 | 0 | 0 | 0 | 108.1 | V60 V71 L86 I95 Y107 | V60-I66 HydrophobicContact CG1-CD1 4.35Å; V60-I66 HydrophobicContact CG1-CG1 4.48Å; V60-I66 HydrophobicContact CG1-CG2 3.87Å; V60-I66 VanDerWaalsContact O-CD1 3.24Å; V60-I66 WeakPolarHBondContact O-CD1 3.2Å; I66-V71 HydrophobicContact CG2-CG2 4.44Å; I66-L86 HydrophobicContact CG2-CD1 4.42Å; I66-L86 HydrophobicContact CG2-CD2 3.29Å; I66-I95 HydrophobicContact CD1-CB 4.25Å; I66-I95 HydrophobicContact CD1-CG2 3.61Å; I66-Y107 PolarHBondContact N-O 2.73Å; I66-Y107 WeakPolarHBondContact O-CA 3.49Å; I66-Y107 PolarHBondContact O-N 3.07Å |
| 67 | T | 94.9 | Very high | 91.6 | Very high | 17 Ų | 17 | 62.2 Ų | 62.2 | 10% | 0.104 | 30% | 0.303 | C | S | . | . | trans | -139.1 | 154.8 | 175.8 | 65.3 | 0 | 0 | 0 | 0 | 109.8 | L65 A69 V70 V71 | L65-T67 HydrophobicContact CD1-CG2 4.07Å; L65-T67 HydrophobicContact CG-CG2 4.21Å; T67-A69 PolarHBondContact O-N 2.97Å; T67-A69 VanDerWaalsContact O-N 3.13Å; T67-V70 PolarHBondContact O-N 2.92Å; T67-V70 VanDerWaalsContact O-N 3.13Å; T67-V70 VanDerWaalsContact OG1-CG2 3.24Å; T67-V70 WeakPolarHBondContact OG1-CG2 3.24Å; T67-V70 PolarHBondContact OG1-N 3.2Å; T67-V71 WeakPolarHBondContact O-CG2 3.45Å; T67-V71 PolarHBondContact O-N 3.36Å; T67-V71 VanDerWaalsContact O-N 3.08Å | ||
| 68 | P | 93.6 | Very high | 91.8 | Very high | 17 Ų | 17 | 66.7 Ų | 66.7 | 11% | 0.11 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -55.3 | -33.9 | 179.1 | -25.4 | 32.6 | 0 | 0 | 0 | 113.7 | S72 R83 L86 L105 | P68-S72 WeakPolarHBondContact O-CB 3.42Å; P68-S72 PolarHBondContact O-N 3.03Å; P68-S72 VanDerWaalsContact O-N 3.08Å; P68-S72 PolarHBondContact O-OG 3.4Å; P68-R83 HydrophobicContact CB-CG 3.95Å; P68-R83 HydrophobicContact CG-CG 3.89Å; P68-L86 HydrophobicContact CB-CD1 4.46Å; P68-L86 HydrophobicContact CG-CD1 3.97Å; P68-L105 WeakPolarHBondContact CD-O 3.49Å; P68-L105 HydrophobicContact CG-CB 4.06Å; P68-L105 HydrophobicContact CG-CD1 4.08Å |
| 69 | A | 93.1 | Very high | 91.9 | Very high | 65 Ų | 65 | 60.8 Ų | 60.8 | 54% | 0.537 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -68.3 | -47.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | T67 V71 S72 E73 | T67-A69 PolarHBondContact O-N 2.97Å; T67-A69 VanDerWaalsContact O-N 3.13Å; A69-V71 VanDerWaalsContact C-N 3.32Å; A69-V71 PolarHBondContact O-N 2.99Å; A69-S72 PolarHBondContact O-N 3.49Å; A69-S72 PolarHBondContact O-OG 2.92Å; A69-E73 PolarHBondContact O-N 3.26Å |
| 70 | V | 93.3 | Very high | 92 | Very high | 34 Ų | 34 | 60.2 Ų | 60.2 | 21% | 0.206 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.8 | -41.4 | 178.7 | 172 | 0 | 0 | 0 | 0 | 111.1 | T67 E73 R74 | T67-V70 PolarHBondContact O-N 2.92Å; T67-V70 VanDerWaalsContact O-N 3.13Å; T67-V70 VanDerWaalsContact OG1-CG2 3.24Å; T67-V70 WeakPolarHBondContact OG1-CG2 3.24Å; T67-V70 PolarHBondContact OG1-N 3.2Å; V70-E73 PolarHBondContact O-N 3.26Å; V70-R74 WeakPolarHBondContact O-CG 3.26Å; V70-R74 PolarHBondContact O-N 3.01Å |
| 71 | V | 92.3 | Very high | 92.2 | Very high | 2 Ų | 2 | 61.1 Ų | 61.1 | 1% | 0.012 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.2 | -41.1 | 178.2 | -176.1 | 0 | 0 | 0 | 0 | 110.8 | V60 I66 T67 A69 E73 R74 L75 I77 A82 L86 | V60-V71 HydrophobicContact CG1-CG2 4.46Å; V60-V71 HydrophobicContact CG2-CG1 4.39Å; V60-V71 HydrophobicContact CG2-CG2 4.49Å; I66-V71 HydrophobicContact CG2-CG2 4.44Å; T67-V71 WeakPolarHBondContact O-CG2 3.45Å; T67-V71 PolarHBondContact O-N 3.36Å; T67-V71 VanDerWaalsContact O-N 3.08Å; A69-V71 VanDerWaalsContact C-N 3.32Å; A69-V71 PolarHBondContact O-N 2.99Å; V71-E73 VanDerWaalsContact C-N 3.3Å; V71-E73 PolarHBondContact O-N 3.26Å; V71-R74 PolarHBondContact O-N 3.36Å; V71-L75 HydrophobicContact CG1-CD1 3.78Å; V71-L75 HydrophobicContact CG1-CG 4.48Å; V71-L75 PolarHBondContact O-N 3.24Å; V71-I77 HydrophobicContact CG1-CD1 3.78Å; V71-I77 HydrophobicContact CG1-CG1 4.45Å; V71-A82 HydrophobicContact CB-CB 4.23Å; V71-A82 HydrophobicContact CG1-CB 4.24Å; V71-L86 HydrophobicContact CG2-CD1 4.39Å; V71-L86 HydrophobicContact CG2-CD2 4.28Å |
| 72 | S | 91.9 | Very high | 92.3 | Very high | 31 Ų | 31 | 60 Ų | 60 | 22% | 0.217 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.2 | -34.4 | 177.4 | 70.4 | 0 | 0 | 0 | 0 | 113.3 | P68 A69 K76 I77 | P68-S72 WeakPolarHBondContact O-CB 3.42Å; P68-S72 PolarHBondContact O-N 3.03Å; P68-S72 VanDerWaalsContact O-N 3.08Å; P68-S72 PolarHBondContact O-OG 3.4Å; A69-S72 PolarHBondContact O-N 3.49Å; A69-S72 PolarHBondContact O-OG 2.92Å; S72-K76 WeakPolarHBondContact O-CA 3.49Å; S72-K76 PolarHBondContact O-N 3.33Å; S72-I77 WeakPolarHBondContact CA-O 3.4Å; S72-I77 WeakPolarHBondContact CB-O 3.24Å |
| 73 | E | 90.8 | Very high | 92.5 | Very high | 138 Ų | 138 | 60.5 Ų | 60.5 | 65% | 0.645 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -71.5 | -40.3 | -179.8 | -175.3 | 169.4 | -158.6 | 0 | 0 | 112.5 | A69 V70 V71 K76 | A69-E73 PolarHBondContact O-N 3.26Å; V70-E73 PolarHBondContact O-N 3.26Å; V71-E73 VanDerWaalsContact C-N 3.3Å; V71-E73 PolarHBondContact O-N 3.26Å; E73-K76 WeakPolarHBondContact O-CE 3.35Å; E73-K76 PolarHBondContact O-NZ 2.71Å |
| 74 | R | 90.4 | Very high | 92.6 | Very high | 149 Ų | 149 | 63 Ų | 63 | 56% | 0.562 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -79.9 | -52.2 | -176.3 | -66.5 | -176.3 | 179 | -91.2 | -3.5 | 112.9 | Y63 V70 V71 K76 | Y63-R74 VanDerWaalsContact OH-CD 3.31Å; Y63-R74 WeakPolarHBondContact OH-CD 3.3Å; V70-R74 WeakPolarHBondContact O-CG 3.26Å; V70-R74 PolarHBondContact O-N 3.01Å; V71-R74 PolarHBondContact O-N 3.36Å; R74-K76 VanDerWaalsContact C-N 3.32Å; R74-K76 PolarHBondContact O-N 2.93Å |
| 75 | L | 90.3 | Very high | 92.7 | Very high | 16 Ų | 16 | 54.7 Ų | 54.7 | 8% | 0.084 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -86.7 | -2.4 | -174.9 | -64.4 | 176.1 | 0 | 0 | 0 | 113.3 | K55 L56 V60 V71 I77 | K55-L75 HydrophobicContact CB-CD2 4Å; L56-L75 HydrophobicContact CB-CD1 3.97Å; L56-L75 HydrophobicContact CD1-CD1 4.06Å; L56-L75 HydrophobicContact CG-CD1 4.23Å; V60-L75 HydrophobicContact CG2-CD1 4.18Å; V71-L75 HydrophobicContact CG1-CD1 3.78Å; V71-L75 HydrophobicContact CG1-CG 4.48Å; V71-L75 PolarHBondContact O-N 3.24Å; L75-I77 HydrophobicContact CB-CD1 4.41Å; L75-I77 HydrophobicContact CB-CG1 4.12Å; L75-I77 HydrophobicContact CB-CG2 4.19Å; L75-I77 HydrophobicContact CD1-CD1 4.46Å; L75-I77 PolarHBondContact O-N 3.29Å |
| 76 | K | 91.5 | Very high | 92.7 | Very high | 107 Ų | 107 | 50.3 Ų | 50.3 | 47% | 0.465 | 25% | 0.254 | S | S | . | . | trans | 55 | 36.7 | -177.2 | -55.1 | -56.2 | -176.7 | -158.4 | 0 | 113.2 | N44 L45 S72 E73 R74 | N44-K76 CarbonylContact C-O 3.58Å; N44-K76 VanDerWaalsContact CA-O 3.32Å; N44-K76 WeakPolarHBondContact CA-O 3.38Å; L45-K76 PolarHBondContact N-O 2.8Å; S72-K76 WeakPolarHBondContact O-CA 3.49Å; S72-K76 PolarHBondContact O-N 3.33Å; E73-K76 WeakPolarHBondContact O-CE 3.35Å; E73-K76 PolarHBondContact O-NZ 2.71Å; R74-K76 VanDerWaalsContact C-N 3.32Å; R74-K76 PolarHBondContact O-N 2.93Å | ||
| 77 | I | 92.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 28% | 0.28 | C | S | . | . | B | Isolated β-bridge | trans | -103.2 | 156.7 | 176.9 | 60.3 | 170.7 | 0 | 0 | 0 | 111.7 | F48 V71 S72 L75 L81 A82 | F48-I77 HydrophobicContact CE1-CD1 4.12Å; F48-I77 HydrophobicContact CE1-CG2 4.25Å; F48-I77 HydrophobicContact CZ-CD1 4.28Å; V71-I77 HydrophobicContact CG1-CD1 3.78Å; V71-I77 HydrophobicContact CG1-CG1 4.45Å; S72-I77 WeakPolarHBondContact CA-O 3.4Å; S72-I77 WeakPolarHBondContact CB-O 3.24Å; L75-I77 HydrophobicContact CB-CD1 4.41Å; L75-I77 HydrophobicContact CB-CG1 4.12Å; L75-I77 HydrophobicContact CB-CG2 4.19Å; L75-I77 HydrophobicContact CD1-CD1 4.46Å; L75-I77 PolarHBondContact O-N 3.29Å; I77-L81 HydrophobicContact CB-CD2 3.94Å; I77-L81 HydrophobicContact CD1-CD2 3.59Å; I77-L81 HydrophobicContact CG1-CD2 4.31Å; I77-L81 HydrophobicContact CG2-CD2 4.1Å; I77-A82 HydrophobicContact CD1-CB 3.8Å; I77-A82 HydrophobicContact CG1-CB 4.28Å |
| 78 | R | 94.1 | Very high | 92.5 | Very high | 141 Ų | 141 | 59 Ų | 59 | 53% | 0.532 | 29% | 0.294 | S | S | . | . | trans | -68.5 | 144.3 | 175.7 | -158.8 | 166.2 | -174.7 | 156.2 | -1.3 | 111.2 | L45 S80 L81 A82 | L45-R78 PolarHBondContact O-N 2.99Å; R78-S80 PolarHBondContact O-N 2.93Å; R78-L81 PolarHBondContact O-N 3.26Å; R78-A82 PolarHBondContact O-N 3.08Å | ||
| 79 | G | 92.6 | Very high | 92.4 | Very high | 29 Ų | 29 | 58.3 Ų | 58.3 | 30% | 0.299 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60.9 | -26.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | R83 | G79-R83 WeakPolarHBondContact O-CG 3.47Å; G79-R83 PolarHBondContact O-N 3.16Å; G79-R83 VanDerWaalsContact O-N 3.09Å |
| 80 | S | 92.7 | Very high | 92.2 | Very high | 64 Ų | 64 | 58.5 Ų | 58.5 | 45% | 0.448 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64.3 | -47 | 172.5 | 49 | 0 | 0 | 0 | 0 | 111.7 | R78 R83 N84 | R78-S80 PolarHBondContact O-N 2.93Å; S80-R83 PolarHBondContact O-N 3.26Å; S80-N84 PolarHBondContact O-N 2.93Å |
| 81 | L | 92.6 | Very high | 92.1 | Very high | 19 Ų | 19 | 61 Ų | 61 | 10% | 0.099 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -70.1 | -36.6 | 179.5 | -179.2 | 154.1 | 0 | 0 | 0 | 111 | V46 F48 I77 R78 R83 N84 A85 | V46-L81 WeakPolarHBondContact O-CD1 3.47Å; F48-L81 HydrophobicContact CD1-CD2 3.91Å; F48-L81 HydrophobicContact CD2-CD1 4.03Å; F48-L81 HydrophobicContact CD2-CD2 3.77Å; F48-L81 HydrophobicContact CD2-CG 4.08Å; F48-L81 HydrophobicContact CE1-CD2 3.39Å; F48-L81 HydrophobicContact CE2-CD1 4.22Å; F48-L81 HydrophobicContact CE2-CD2 3.23Å; F48-L81 HydrophobicContact CE2-CG 3.74Å; F48-L81 HydrophobicContact CG-CD1 4.35Å; F48-L81 HydrophobicContact CG-CD2 4.09Å; F48-L81 HydrophobicContact CZ-CD2 3.02Å; F48-L81 HydrophobicContact CZ-CG 4.04Å; I77-L81 HydrophobicContact CB-CD2 3.94Å; I77-L81 HydrophobicContact CD1-CD2 3.59Å; I77-L81 HydrophobicContact CG1-CD2 4.31Å; I77-L81 HydrophobicContact CG2-CD2 4.1Å; R78-L81 PolarHBondContact O-N 3.26Å; L81-R83 VanDerWaalsContact C-N 3.33Å; L81-R83 PolarHBondContact O-N 3.26Å; L81-N84 PolarHBondContact O-N 3.41Å; L81-A85 WeakPolarHBondContact O-CB 3.27Å; L81-A85 PolarHBondContact O-N 3.25Å |
| 82 | A | 93.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59.9 | -39.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113 | V71 I77 R78 L86 | V71-A82 HydrophobicContact CB-CB 4.23Å; V71-A82 HydrophobicContact CG1-CB 4.24Å; I77-A82 HydrophobicContact CD1-CB 3.8Å; I77-A82 HydrophobicContact CG1-CB 4.28Å; R78-A82 PolarHBondContact O-N 3.08Å; A82-L86 WeakPolarHBondContact O-CB 3.2Å; A82-L86 VanDerWaalsContact O-CG 3.24Å; A82-L86 WeakPolarHBondContact O-CG 3.44Å; A82-L86 PolarHBondContact O-N 2.89Å |
| 83 | R | 92.9 | Very high | 91.7 | Very high | 129 Ų | 129 | 66.4 Ų | 66.4 | 49% | 0.487 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.5 | -44.8 | 176.8 | -76.5 | 172.8 | 178.5 | 173.2 | -1.1 | 111.8 | P68 G79 S80 L81 L86 Q87 L105 | P68-R83 HydrophobicContact CB-CG 3.95Å; P68-R83 HydrophobicContact CG-CG 3.89Å; G79-R83 WeakPolarHBondContact O-CG 3.47Å; G79-R83 PolarHBondContact O-N 3.16Å; G79-R83 VanDerWaalsContact O-N 3.09Å; S80-R83 PolarHBondContact O-N 3.26Å; L81-R83 VanDerWaalsContact C-N 3.33Å; L81-R83 PolarHBondContact O-N 3.26Å; R83-L86 PolarHBondContact O-N 2.99Å; R83-Q87 WeakPolarHBondContact O-CG 3.42Å; R83-Q87 PolarHBondContact O-N 3.3Å; R83-L105 HydrophobicContact CG-CD1 4.19Å |
| 84 | N | 93.3 | Very high | 91.5 | Very high | 93 Ų | 93 | 62.3 Ų | 62.3 | 50% | 0.497 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66.7 | -43.4 | 179.3 | -65.1 | -3.1 | 0 | 0 | 0 | 110.9 | S80 L81 L86 Q87 E88 | S80-N84 PolarHBondContact O-N 2.93Å; L81-N84 PolarHBondContact O-N 3.41Å; N84-L86 VanDerWaalsContact C-N 3.31Å; N84-L86 PolarHBondContact O-N 3.05Å; N84-Q87 WeakPolarHBondContact O-CA 3.49Å; N84-Q87 WeakPolarHBondContact O-CB 3.39Å; N84-Q87 PolarHBondContact O-N 3.4Å; N84-E88 PolarHBondContact O-N 3.46Å |
| 85 | A | 93 | Very high | 91.6 | Very high | 2 Ų | 2 | 55.5 Ų | 55.5 | 2% | 0.017 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.6 | -36.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | F48 L56 L81 Q87 E88 L89 | F48-A85 HydrophobicContact CE2-CB 3.9Å; F48-A85 HydrophobicContact CZ-CB 3.61Å; L56-A85 HydrophobicContact CD1-CB 3.59Å; L81-A85 WeakPolarHBondContact O-CB 3.27Å; L81-A85 PolarHBondContact O-N 3.25Å; A85-Q87 VanDerWaalsContact C-N 3.3Å; A85-Q87 PolarHBondContact O-N 3.21Å; A85-E88 PolarHBondContact O-N 3.28Å; A85-L89 WeakPolarHBondContact O-CG 3.32Å; A85-L89 PolarHBondContact O-N 2.73Å |
| 86 | L | 92.5 | Very high | 91.6 | Very high | 3 Ų | 3 | 60.9 Ų | 60.9 | 2% | 0.016 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -67.8 | -29.5 | 173.3 | -70.7 | 172.5 | 0 | 0 | 0 | 112.6 | V60 I66 P68 V71 A82 R83 N84 L89 L90 I95 Y107 | V60-L86 HydrophobicContact CG1-CD2 4.09Å; I66-L86 HydrophobicContact CG2-CD1 4.42Å; I66-L86 HydrophobicContact CG2-CD2 3.29Å; P68-L86 HydrophobicContact CB-CD1 4.46Å; P68-L86 HydrophobicContact CG-CD1 3.97Å; V71-L86 HydrophobicContact CG2-CD1 4.39Å; V71-L86 HydrophobicContact CG2-CD2 4.28Å; A82-L86 WeakPolarHBondContact O-CB 3.2Å; A82-L86 VanDerWaalsContact O-CG 3.24Å; A82-L86 WeakPolarHBondContact O-CG 3.44Å; A82-L86 PolarHBondContact O-N 2.89Å; R83-L86 PolarHBondContact O-N 2.99Å; N84-L86 VanDerWaalsContact C-N 3.31Å; N84-L86 PolarHBondContact O-N 3.05Å; L86-L89 HydrophobicContact CD2-CD1 4.36Å; L86-L90 WeakPolarHBondContact O-CB 3.4Å; L86-L90 PolarHBondContact O-N 3.35Å; L86-I95 HydrophobicContact CB-CD1 4.32Å; L86-I95 HydrophobicContact CD2-CD1 3.63Å; L86-Y107 HydrophobicContact CB-CD2 4.4Å; L86-Y107 HydrophobicContact CB-CE2 3.93Å; L86-Y107 HydrophobicContact CD1-CD2 4.01Å; L86-Y107 HydrophobicContact CD1-CE2 3.95Å; L86-Y107 HydrophobicContact CD2-CD2 4.47Å; L86-Y107 HydrophobicContact CG-CE2 4.45Å |
| 87 | Q | 92.7 | Very high | 91.7 | Very high | 115 Ų | 115 | 58.8 Ų | 58.8 | 54% | 0.537 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -69.4 | -41.1 | 171.9 | -70.4 | 173.9 | -20.8 | 0 | 0 | 111.3 | R83 N84 A85 L90 A91 | R83-Q87 WeakPolarHBondContact O-CG 3.42Å; R83-Q87 PolarHBondContact O-N 3.3Å; N84-Q87 WeakPolarHBondContact O-CA 3.49Å; N84-Q87 WeakPolarHBondContact O-CB 3.39Å; N84-Q87 PolarHBondContact O-N 3.4Å; A85-Q87 VanDerWaalsContact C-N 3.3Å; A85-Q87 PolarHBondContact O-N 3.21Å; Q87-L90 PolarHBondContact O-N 3.31Å; Q87-A91 WeakPolarHBondContact O-CB 3.41Å; Q87-A91 PolarHBondContact O-N 3.19Å |
| 88 | E | 92 | Very high | 91.7 | Very high | 86 Ų | 86 | 63.3 Ų | 63.3 | 40% | 0.402 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62.4 | -45.4 | 174.1 | -70.4 | 177.9 | -154.3 | 0 | 0 | 112 | N84 A85 L90 A91 K92 | N84-E88 PolarHBondContact O-N 3.46Å; A85-E88 PolarHBondContact O-N 3.28Å; E88-L90 VanDerWaalsContact C-N 3.29Å; E88-L90 PolarHBondContact O-N 3.48Å; E88-A91 PolarHBondContact O-N 2.91Å; E88-K92 WeakPolarHBondContact O-CG 3.48Å; E88-K92 PolarHBondContact O-N 3.03Å |
| 89 | L | 90.8 | Very high | 91.6 | Very high | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.005 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.9 | -33.8 | 176.8 | -72.8 | 179.6 | 0 | 0 | 0 | 112.7 | L56 Y57 V60 A85 L86 G93 M94 I95 | L56-L89 HydrophobicContact CD2-CD1 3.63Å; L56-L89 HydrophobicContact CD2-CD2 3.87Å; L56-L89 HydrophobicContact CD2-CG 3.83Å; L56-L89 HydrophobicContact CG-CD1 4.36Å; Y57-L89 HydrophobicContact CD1-CD2 4.07Å; Y57-L89 HydrophobicContact CE1-CD2 4Å; V60-L89 HydrophobicContact CB-CD1 3.92Å; V60-L89 HydrophobicContact CG1-CD1 3.58Å; A85-L89 WeakPolarHBondContact O-CG 3.32Å; A85-L89 PolarHBondContact O-N 2.73Å; L86-L89 HydrophobicContact CD2-CD1 4.36Å; L89-G93 PolarHBondContact O-N 2.93Å; L89-M94 HydrophobicContact CD2-CE 3.32Å; L89-M94 HydrophobicContact CD2-SD 3.94Å; L89-M94 PolarHBondContact O-N 3.45Å; L89-M94 VanDerWaalsContact O-N 3.14Å; L89-I95 HydrophobicContact CB-CD1 3.74Å; L89-I95 HydrophobicContact CB-CG1 3.9Å; L89-I95 HydrophobicContact CB-CG2 4.44Å; L89-I95 HydrophobicContact CD1-CD1 4.48Å |
| 90 | L | 90.3 | Very high | 91.7 | Very high | 70 Ų | 70 | 65.8 Ų | 65.8 | 37% | 0.366 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -69 | -43 | 173.3 | 177.9 | 148.3 | 0 | 0 | 0 | 111.2 | L86 Q87 E88 K92 G93 I95 L97 Y107 | L86-L90 WeakPolarHBondContact O-CB 3.4Å; L86-L90 PolarHBondContact O-N 3.35Å; Q87-L90 PolarHBondContact O-N 3.31Å; E88-L90 VanDerWaalsContact C-N 3.29Å; E88-L90 PolarHBondContact O-N 3.48Å; L90-K92 PolarHBondContact O-N 3.03Å; L90-G93 PolarHBondContact O-N 3.01Å; L90-I95 HydrophobicContact CB-CG1 4.24Å; L90-L97 HydrophobicContact CD1-CB 3.8Å; L90-Y107 HydrophobicContact CB-CE1 4.37Å; L90-Y107 HydrophobicContact CD1-CD1 4.23Å; L90-Y107 HydrophobicContact CD1-CE1 3.59Å |
| 91 | A | 90.4 | Very high | 91.7 | Very high | 85 Ų | 85 | 68.5 Ų | 68.5 | 70% | 0.702 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -61.9 | -34.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q87 E88 G93 | Q87-A91 WeakPolarHBondContact O-CB 3.41Å; Q87-A91 PolarHBondContact O-N 3.19Å; E88-A91 PolarHBondContact O-N 2.91Å; A91-G93 VanDerWaalsContact C-N 3.29Å; A91-G93 PolarHBondContact O-N 3.02Å |
| 92 | K | 88.9 | Confident | 91.6 | Very high | 110 Ų | 110 | 79.2 Ų | 79.2 | 48% | 0.478 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -4.4 | 173.6 | -67.6 | 179.8 | 177.8 | -171.1 | 0 | 114.3 | Y57 E88 L90 M94 | Y57-K92 HydrophobicContact CE1-CD 3.92Å; Y57-K92 PolarHBondContact OH-NZ 2.69Å; E88-K92 WeakPolarHBondContact O-CG 3.48Å; E88-K92 PolarHBondContact O-N 3.03Å; L90-K92 PolarHBondContact O-N 3.03Å; K92-M94 VanDerWaalsContact C-N 3.28Å; K92-M94 HydrophobicContact CB-CE 3.61Å; K92-M94 HydrophobicContact CD-CE 3.61Å; K92-M94 HydrophobicContact CG-CE 4.25Å; K92-M94 PolarHBondContact O-N 3.35Å |
| 93 | G | 87.3 | Confident | 91.2 | Very high | 38 Ų | 38 | 83.1 Ų | 83.1 | 39% | 0.392 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.7 | 6.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | L89 L90 A91 I95 N110 | L89-G93 PolarHBondContact O-N 2.93Å; L90-G93 PolarHBondContact O-N 3.01Å; A91-G93 VanDerWaalsContact C-N 3.29Å; A91-G93 PolarHBondContact O-N 3.02Å; G93-I95 VanDerWaalsContact C-N 3.31Å; G93-I95 PolarHBondContact O-N 3.09Å; G93-N110 PolarHBondContact O-ND2 3.14Å |
| 94 | M | 87.3 | Confident | 91.1 | Very high | 51 Ų | 51 | 82.5 Ų | 82.5 | 25% | 0.251 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -71.8 | -24.9 | 178.9 | -77.2 | -179.4 | -87.5 | 0 | 0 | 113.5 | Y57 P61 L89 K92 N110 | Y57-M94 HydrophobicContact CD1-CE 3.52Å; Y57-M94 HydrophobicContact CD1-SD 3.95Å; Y57-M94 HydrophobicContact CE1-CE 3.51Å; P61-M94 HydrophobicContact CG-CB 4.15Å; P61-M94 HydrophobicContact CG-SD 4.18Å; L89-M94 HydrophobicContact CD2-CE 3.32Å; L89-M94 HydrophobicContact CD2-SD 3.94Å; L89-M94 PolarHBondContact O-N 3.45Å; L89-M94 VanDerWaalsContact O-N 3.14Å; K92-M94 VanDerWaalsContact C-N 3.28Å; K92-M94 HydrophobicContact CB-CE 3.61Å; K92-M94 HydrophobicContact CD-CE 3.61Å; K92-M94 HydrophobicContact CG-CE 4.25Å; K92-M94 PolarHBondContact O-N 3.35Å; M94-N110 WeakPolarHBondContact O-CB 3.43Å |
| 95 | I | 91.4 | Very high | 91.1 | Very high | 6 Ų | 6 | 79.5 Ų | 79.5 | 3% | 0.031 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 150.2 | 179.8 | 67.1 | 175 | 0 | 0 | 0 | 110.8 | I66 L86 L89 L90 G93 Y107 | I66-I95 HydrophobicContact CD1-CB 4.25Å; I66-I95 HydrophobicContact CD1-CG2 3.61Å; L86-I95 HydrophobicContact CB-CD1 4.32Å; L86-I95 HydrophobicContact CD2-CD1 3.63Å; L89-I95 HydrophobicContact CB-CD1 3.74Å; L89-I95 HydrophobicContact CB-CG1 3.9Å; L89-I95 HydrophobicContact CB-CG2 4.44Å; L89-I95 HydrophobicContact CD1-CD1 4.48Å; L90-I95 HydrophobicContact CB-CG1 4.24Å; G93-I95 VanDerWaalsContact C-N 3.31Å; G93-I95 PolarHBondContact O-N 3.09Å; I95-Y107 HydrophobicContact CD1-CD1 3.74Å; I95-Y107 HydrophobicContact CD1-CE1 4.29Å; I95-Y107 HydrophobicContact CD1-CG 3.9Å; I95-Y107 HydrophobicContact CG1-CD1 4.18Å |
| 96 | K | 91.8 | Very high | 91.2 | Very high | 129 Ų | 129 | 81.5 Ų | 81.5 | 56% | 0.561 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 134 | 178.5 | -178.4 | 174.3 | 177.2 | 179 | 0 | 110.8 | Y107 T108 | K96-Y107 CarbonylContact O-C 3.54Å; K96-Y107 VanDerWaalsContact O-CA 3.24Å; K96-Y107 WeakPolarHBondContact O-CA 3.34Å; K96-T108 HydrophobicContact CB-CG2 3.98Å; K96-T108 PolarHBondContact N-O 3.11Å; K96-T108 PolarHBondContact O-N 2.72Å |
| 97 | L | 93.1 | Very high | 91.3 | Very high | 64 Ų | 64 | 81.9 Ų | 81.9 | 34% | 0.335 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 129.1 | 169.6 | -174.2 | 78.7 | 0 | 0 | 0 | 109.9 | L90 K100 Y107 | L90-L97 HydrophobicContact CD1-CB 3.8Å; L97-K100 HydrophobicContact CD1-CB 4.26Å; L97-K100 HydrophobicContact CD2-CB 4.07Å; L97-Y107 HydrophobicContact CB-CD1 4.22Å; L97-Y107 HydrophobicContact CB-CE1 4.21Å; L97-Y107 HydrophobicContact CD1-CD1 3.89Å; L97-Y107 HydrophobicContact CD1-CE1 3.43Å; L97-Y107 VanDerWaalsContact CD1-CE1 3.43Å; L97-Y107 HydrophobicContact CG-CE1 4.45Å |
| 98 | V | 92 | Very high | 91.3 | Very high | 95 Ų | 95 | 78.3 Ų | 78.3 | 58% | 0.576 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.1 | -50.6 | 173.1 | -178.1 | 0 | 0 | 0 | 0 | 110.1 | I106 T108 | V98-I106 HydrophobicContact CB-CG2 4.17Å; V98-I106 PolarHBondContact N-O 2.93Å; V98-T108 HydrophobicContact CG2-CG2 3.53Å |
| 99 | S | 92.8 | Very high | 91.3 | Very high | 60 Ų | 60 | 80 Ų | 80 | 42% | 0.42 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 138.4 | -179.5 | -177.5 | 0 | 0 | 0 | 0 | 110.9 | I106 | S99-I106 PolarHBondContact N-O 3.49Å; S99-I106 PolarHBondContact O-N 3.08Å |
| 100 | K | 93.3 | Very high | 91 | Very high | 162 Ų | 162 | 83.2 Ų | 83.2 | 70% | 0.704 | 43% | 0.429 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 109.3 | 177.4 | -178.7 | 176.3 | -178.8 | -175.8 | 0 | 109.1 | L97 L105 | L97-K100 HydrophobicContact CD1-CB 4.26Å; L97-K100 HydrophobicContact CD2-CB 4.07Å; K100-L105 HydrophobicContact CB-CD2 4.46Å; K100-L105 HydrophobicContact CG-CD2 3.88Å |
| 101 | H | 94.5 | Very high | 90.2 | Very high | 120 Ų | 120 | 85.6 Ų | 85.6 | 56% | 0.556 | 45% | 0.447 | S | S | * | . | trans | -122.9 | 157.7 | 170.2 | -176.9 | -102.7 | 0 | 0 | 0 | 109.7 | A103 Q104 | H101-A103 PolarHBondContact ND1-N 3.17Å; H101-A103 VanDerWaalsContact ND1-N 3.16Å; H101-A103 PolarHBondContact O-N 3.06Å; H101-Q104 CarbonylContact C-O 3.54Å; H101-Q104 WeakPolarHBondContact CA-O 3.35Å; H101-Q104 PolarHBondContact N-O 3.26Å; H101-Q104 CarbonylContact O-C 3.57Å; H101-Q104 PolarHBondContact O-N 3.27Å | ||
| 102 | R | 88.6 | Confident | 89 | Confident | 244 Ų | 244 | 89.1 Ų | 89.1 | 92% | 0.921 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -55.9 | -41 | 179.4 | 180 | -177 | 175.6 | -146.1 | 0.6 | 112.5 | ||
| 103 | A | 87.1 | Confident | 87.1 | Confident | 82 Ų | 82 | 86.2 Ų | 86.2 | 68% | 0.678 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -87.4 | -23.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | H101 | H101-A103 PolarHBondContact ND1-N 3.17Å; H101-A103 VanDerWaalsContact ND1-N 3.16Å; H101-A103 PolarHBondContact O-N 3.06Å |
| 104 | Q | 89.9 | Confident | 85.2 | Confident | 116 Ų | 116 | 88 Ų | 88 | 54% | 0.542 | 47% | 0.466 | S | S | . | . | trans | -143.9 | 126.4 | -169.3 | -165.7 | 158.3 | -25.4 | 0 | 0 | 111.6 | H101 I106 | H101-Q104 CarbonylContact C-O 3.54Å; H101-Q104 WeakPolarHBondContact CA-O 3.35Å; H101-Q104 PolarHBondContact N-O 3.26Å; H101-Q104 CarbonylContact O-C 3.57Å; H101-Q104 PolarHBondContact O-N 3.27Å; Q104-I106 HydrophobicContact CG-CD1 4.26Å; Q104-I106 HydrophobicContact CG-CG1 3.91Å | ||
| 105 | L | 93.7 | Very high | 83.4 | Confident | 30 Ų | 30 | 91.8 Ų | 91.8 | 16% | 0.157 | 49% | 0.487 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 119 | 175.6 | -70.4 | 160 | 0 | 0 | 0 | 107.5 | P68 R83 K100 Y107 | P68-L105 WeakPolarHBondContact CD-O 3.49Å; P68-L105 HydrophobicContact CG-CB 4.06Å; P68-L105 HydrophobicContact CG-CD1 4.08Å; R83-L105 HydrophobicContact CG-CD1 4.19Å; K100-L105 HydrophobicContact CB-CD2 4.46Å; K100-L105 HydrophobicContact CG-CD2 3.88Å; L105-Y107 HydrophobicContact CB-CE2 3.85Å |
| 106 | I | 94.3 | Very high | 81.3 | Confident | 45 Ų | 45 | 99.4 Ų | 99.4 | 23% | 0.231 | 52% | 0.523 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 119 | -177.9 | -52.9 | 179.1 | 0 | 0 | 0 | 108.7 | L65 V98 S99 Q104 | L65-I106 HydrophobicContact CD1-CG2 4.02Å; V98-I106 HydrophobicContact CB-CG2 4.17Å; V98-I106 PolarHBondContact N-O 2.93Å; S99-I106 PolarHBondContact N-O 3.49Å; S99-I106 PolarHBondContact O-N 3.08Å; Q104-I106 HydrophobicContact CG-CD1 4.26Å; Q104-I106 HydrophobicContact CG-CG1 3.91Å |
| 107 | Y | 94.4 | Very high | 79.3 | Confident | 10 Ų | 10 | 101.1 Ų | 101.1 | 4% | 0.039 | 53% | 0.533 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 158.3 | 173.1 | -57.5 | -91.7 | 0 | 0 | 0 | 109.9 | I66 L86 L90 I95 K96 L97 L105 | I66-Y107 PolarHBondContact N-O 2.73Å; I66-Y107 WeakPolarHBondContact O-CA 3.49Å; I66-Y107 PolarHBondContact O-N 3.07Å; L86-Y107 HydrophobicContact CB-CD2 4.4Å; L86-Y107 HydrophobicContact CB-CE2 3.93Å; L86-Y107 HydrophobicContact CD1-CD2 4.01Å; L86-Y107 HydrophobicContact CD1-CE2 3.95Å; L86-Y107 HydrophobicContact CD2-CD2 4.47Å; L86-Y107 HydrophobicContact CG-CE2 4.45Å; L90-Y107 HydrophobicContact CB-CE1 4.37Å; L90-Y107 HydrophobicContact CD1-CD1 4.23Å; L90-Y107 HydrophobicContact CD1-CE1 3.59Å; I95-Y107 HydrophobicContact CD1-CD1 3.74Å; I95-Y107 HydrophobicContact CD1-CE1 4.29Å; I95-Y107 HydrophobicContact CD1-CG 3.9Å; I95-Y107 HydrophobicContact CG1-CD1 4.18Å; K96-Y107 CarbonylContact O-C 3.54Å; K96-Y107 VanDerWaalsContact O-CA 3.24Å; K96-Y107 WeakPolarHBondContact O-CA 3.34Å; L97-Y107 HydrophobicContact CB-CD1 4.22Å; L97-Y107 HydrophobicContact CB-CE1 4.21Å; L97-Y107 HydrophobicContact CD1-CD1 3.89Å; L97-Y107 HydrophobicContact CD1-CE1 3.43Å; L97-Y107 VanDerWaalsContact CD1-CE1 3.43Å; L97-Y107 HydrophobicContact CG-CE1 4.45Å; L105-Y107 HydrophobicContact CB-CE2 3.85Å |
| 108 | T | 93.6 | Very high | 76.9 | Confident | 40 Ų | 40 | 101.2 Ų | 101.2 | 25% | 0.245 | 54% | 0.543 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 159.3 | 172.5 | -172.1 | 0 | 0 | 0 | 0 | 109.5 | K96 V98 | K96-T108 HydrophobicContact CB-CG2 3.98Å; K96-T108 PolarHBondContact N-O 3.11Å; K96-T108 PolarHBondContact O-N 2.72Å; V98-T108 HydrophobicContact CG2-CG2 3.53Å |
| 109 | R | 91.1 | Very high | 74.5 | Confident | 122 Ų | 122 | 99.9 Ų | 99.9 | 46% | 0.46 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.7 | 146.4 | 170.3 | 66.9 | -177.1 | -174.7 | -167.7 | 5.1 | 110.8 | P61 T111 | P61-R109 WeakPolarHBondContact O-CB 3.05Å; R109-T111 PolarHBondContact O-N 2.8Å |
| 110 | N | 85.7 | Confident | 72.2 | Confident | 68 Ų | 68 | 100.8 Ų | 100.8 | 36% | 0.364 | 55% | 0.553 | S | S | . | * | trans | -73 | 128.4 | 171.2 | -157.6 | 24.2 | 0 | 0 | 0 | 109.3 | G93 M94 | G93-N110 PolarHBondContact O-ND2 3.14Å; M94-N110 WeakPolarHBondContact O-CB 3.43Å | ||
| 111 | T | 73.8 | Confident | 69.8 | Low | 120 Ų | 120 | 101.7 Ų | 101.7 | 74% | 0.736 | 56% | 0.56 | S | S | * | * | trans | -96.7 | -10.5 | -179.5 | 55.2 | 0 | 0 | 0 | 0 | 113.1 | R109 G113 | R109-T111 PolarHBondContact O-N 2.8Å; T111-G113 PolarHBondContact O-N 3.2Å | ||
| 112 | K | 63.4 | Low | 67.3 | Low | 160 Ų | 160 | 105.4 Ų | 105.4 | 70% | 0.696 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -74.8 | 112.2 | 164 | -67.3 | -172.7 | 174.4 | -170.4 | 0 | 105.6 | ||
| 113 | G | 49.1 | Very low | 64.8 | Low | 49 Ų | 49 | 101 Ų | 101 | 51% | 0.505 | 59% | 0.59 | S | S | . | * | trans | -51.1 | 149.1 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | T111 D115 | T111-G113 PolarHBondContact O-N 3.2Å; G113-D115 PolarHBondContact O-N 3.32Å | ||
| 114 | G | 48.5 | Very low | 63.7 | Low | 76 Ų | 76 | 102 Ų | 102 | 78% | 0.784 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | 41.9 | 174 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 115 | D | 48.4 | Very low | 62.4 | Low | 130 Ų | 130 | 101.3 Ų | 101.3 | 70% | 0.695 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.8 | 0.2 | -178.8 | -69.2 | -61 | 0 | 0 | 0 | 113 | G113 | G113-D115 PolarHBondContact O-N 3.32Š|
| 116 | E | 47.5 | Very low | 60.6 | Low | 166 Ų | 166 | 105.2 Ų | 105.2 | 78% | 0.776 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -88.5 | -21.3 | 175.2 | -75.5 | -174.3 | 161.8 | 0 | 0 | 113.5 | ||
| 117 | E | 49.7 | Very low | 58.6 | Low | 164 Ų | 164 | 108.8 Ų | 108.8 | 77% | 0.766 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -90.1 | -22.9 | 174.4 | -84.6 | -173 | 149.6 | 0 | 0 | 113.6 | A119 | E117-A119 VanDerWaalsContact C-N 3.34Š|
| 118 | A | 43.4 | Very low | 56.4 | Low | 67 Ų | 67 | 114.9 Ų | 114.9 | 55% | 0.554 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -78.7 | -16.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 119 | A | 40.9 | Very low | 53.9 | Low | 66 Ų | 66 | 119.9 Ų | 119.9 | 55% | 0.545 | 70% | 0.7 | S | S | . | * | S | Bend | trans | -88.1 | -19 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | E117 | E117-A119 VanDerWaalsContact C-N 3.34Š|
| 120 | A | 45.1 | Very low | 51.3 | Low | 79 Ų | 79 | 119.8 Ų | 119.8 | 65% | 0.653 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -88 | -15.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 121 | E | 42.3 | Very low | 48.6 | Very low | 182 Ų | 182 | 123.8 Ų | 123.8 | 85% | 0.85 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -95.1 | 1.4 | 177 | -152.7 | -176.7 | 150 | 0 | 0 | 113 | ||
| 122 | K | 41.7 | Very low | 46.5 | Very low | 198 Ų | 198 | 124.1 Ų | 124.1 | 86% | 0.861 | 75% | 0.745 | S | S | * | * | trans | -123.1 | 20.7 | 178.7 | -70.3 | -170.2 | 178.6 | 178.9 | 0 | 114 | ||||
| 123 | A | 37.9 | Very low | 45 | Very low | 152 Ų | 152 | 120.8 Ų | 120.8 | 100% | 1.256 | 75% | 0.75 | S | S | * | * | trans | -116.2 | 0 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.6 |
Retrieved 123 of 123 residues in 37.7 ms
(Link to these results)