| 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 | 41.6 | Very low | 36.5 | Very low | 247 Ų | 247 | 141.4 Ų | 141.4 | 100% | 1.217 | 79% | 0.785 | S | S | * | * | 0 | 161.9 | 0 | -65.3 | 171.9 | -176.9 | 0 | 0 | 108.3 | |||||
| 2 | K | 38.4 | Very low | 36.2 | Very low | 214 Ų | 214 | 144.3 Ų | 144.3 | 93% | 0.93 | 79% | 0.788 | S | S | * | * | trans | -88.3 | 132.1 | -169.3 | -83.5 | -174.4 | 173.3 | -178 | 0 | 114 | ||||
| 3 | T | 38.9 | Very low | 36.4 | Very low | 130 Ų | 130 | 146.8 Ų | 146.8 | 80% | 0.798 | 79% | 0.791 | S | S | * | * | trans | -85.6 | -179.3 | 146.5 | 30 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 4 | P | 53.9 | Low | 36 | Very low | 113 Ų | 113 | 145.4 Ų | 145.4 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | cis | -147.3 | -179.9 | 17.7 | 47.3 | -28.4 | 0 | 0 | 0 | 119.2 | ||||
| 5 | N | 32.2 | Very low | 35.9 | Very low | 141 Ų | 141 | 151.5 Ų | 151.5 | 75% | 0.754 | 80% | 0.797 | S | S | * | * | trans | 81.2 | 146 | 137.4 | -144.5 | 29.7 | 0 | 0 | 0 | 123.8 | ||||
| 6 | A | 36 | Very low | 35.7 | Very low | 69 Ų | 69 | 148.3 Ų | 148.3 | 57% | 0.57 | 80% | 0.798 | S | S | * | * | trans | 64.3 | 162.1 | 149 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 7 | Q | 36.3 | Very low | 35.5 | Very low | 150 Ų | 150 | 145 Ų | 145 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | cis | -168.8 | 169.8 | -19.4 | -99.9 | 157 | -121.7 | 0 | 0 | 105.1 | ||||
| 8 | E | 28.7 | Very low | 35.2 | Very low | 154 Ų | 154 | 143.1 Ų | 143.1 | 72% | 0.72 | 80% | 0.803 | S | S | * | * | cis | -157.9 | 147.7 | 2.8 | -127.7 | 164.7 | 118 | 0 | 0 | 108.8 | ||||
| 9 | A | 33.4 | Very low | 35 | Very low | 82 Ų | 82 | 139.8 Ų | 139.8 | 68% | 0.678 | 80% | 0.804 | S | S | * | * | 71.1 | 176.9 | 112.1 | 0 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 10 | E | 33 | Very low | 34.9 | Very low | 195 Ų | 195 | 145.2 Ų | 145.2 | 91% | 0.911 | 81% | 0.811 | S | S | * | * | trans | 64.9 | 145.3 | -172.7 | -53.9 | -149.7 | 120.1 | 0 | 0 | 117.4 | ||||
| 11 | G | 28.6 | Very low | 35.2 | Very low | 60 Ų | 60 | 143 Ų | 143 | 62% | 0.619 | 81% | 0.812 | S | S | * | * | cis | 163.6 | 135.6 | -10.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 12 | Q | 33.6 | Very low | 34.8 | Very low | 177 Ų | 177 | 138.2 Ų | 138.2 | 83% | 0.827 | 80% | 0.796 | S | S | * | * | trans | 67.9 | 159 | 171.2 | -43.6 | -177.8 | 22.6 | 0 | 0 | 114.5 | ||||
| 13 | Q | 38 | Very low | 34.4 | Very low | 177 Ų | 177 | 131.9 Ų | 131.9 | 83% | 0.827 | 79% | 0.792 | S | S | * | * | cis | -140.3 | 165.2 | 5.7 | -152.8 | 171.8 | 19.1 | 0 | 0 | 111.5 | ||||
| 14 | T | 31.2 | Very low | 34.4 | Very low | 126 Ų | 126 | 131.5 Ų | 131.5 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | trans | -109.1 | 149.7 | -165 | 49.2 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 15 | R | 34.5 | Very low | 33.7 | Very low | 238 Ų | 238 | 130.5 Ų | 130.5 | 90% | 0.898 | 80% | 0.796 | S | S | * | * | trans | 56.6 | 119 | 154.1 | -79.4 | -176.1 | 166.9 | -176.2 | -3.5 | 120.1 | ||||
| 16 | A | 32.9 | Very low | 34.2 | Very low | 99 Ų | 99 | 131.1 Ų | 131.1 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | 45.6 | 140.1 | 120.2 | 0 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 17 | A | 31.6 | Very low | 34.5 | Very low | 93 Ų | 93 | 136.3 Ų | 136.3 | 77% | 0.769 | 81% | 0.814 | S | S | * | * | cis | -164.3 | 173.5 | 36.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 18 | A | 31.6 | Very low | 34.9 | Very low | 111 Ų | 111 | 135.4 Ų | 135.4 | 92% | 0.917 | 82% | 0.819 | S | S | * | * | trans | 56.3 | 111.2 | 155 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 19 | G | 30.8 | Very low | 35.9 | Very low | 80 Ų | 80 | 137.7 Ų | 137.7 | 83% | 0.825 | 83% | 0.826 | S | S | * | * | trans | -161.8 | 122.8 | 168.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 20 | R | 33.3 | Very low | 36.6 | Very low | 247 Ų | 247 | 143.2 Ų | 143.2 | 93% | 0.932 | 84% | 0.835 | S | S | * | * | trans | -72.9 | 135.4 | -173.9 | -76.8 | 172.5 | 164.3 | 176.3 | -5.8 | 113.7 | ||||
| 21 | A | 40.8 | Very low | 37.2 | Very low | 101 Ų | 101 | 143 Ų | 143 | 84% | 0.835 | 83% | 0.831 | S | S | * | * | trans | 17.1 | 122.4 | 141.9 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 22 | T | 32.2 | Very low | 38 | Very low | 145 Ų | 145 | 146.5 Ų | 146.5 | 89% | 0.89 | 84% | 0.84 | S | S | * | * | trans | -141.4 | 152.4 | 160 | 47.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 23 | G | 31.2 | Very low | 38.4 | Very low | 81 Ų | 81 | 143.1 Ų | 143.1 | 84% | 0.835 | 84% | 0.836 | S | S | * | * | trans | 71.6 | 78 | 155.3 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 24 | S | 38 | Very low | 39.2 | Very low | 123 Ų | 123 | 143.5 Ų | 143.5 | 86% | 0.86 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 139.1 | 152.1 | -170.7 | 0 | 0 | 0 | 0 | 109.8 | ||
| 25 | A | 39.6 | Very low | 39.8 | Very low | 91 Ų | 91 | 146.5 Ų | 146.5 | 75% | 0.752 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 150.8 | -165.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | M27 | A25-M27 PolarHBondContact O-N 2.77Š|
| 26 | N | 43 | Very low | 40.2 | Very low | 154 Ų | 154 | 144.7 Ų | 144.7 | 82% | 0.824 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 119.3 | -179.6 | -72.1 | -40.7 | 0 | 0 | 0 | 112.6 | ||
| 27 | M | 41.8 | Very low | 40.8 | Very low | 179 Ų | 179 | 148.2 Ų | 148.2 | 88% | 0.882 | 84% | 0.838 | S | S | * | * | trans | -115.2 | 77.2 | 167.5 | -82.3 | -70 | -164.4 | 0 | 0 | 110.5 | A25 K29 | A25-M27 PolarHBondContact O-N 2.77Å; M27-K29 PolarHBondContact O-N 3.14Å | ||
| 28 | T | 45 | Very low | 41.3 | Very low | 131 Ų | 131 | 155.4 Ų | 155.4 | 80% | 0.804 | 85% | 0.845 | S | S | * | * | trans | -68.3 | 98.7 | 176.8 | 26.4 | 0 | 0 | 0 | 0 | 111 | K30 | T28-K30 PolarHBondContact O-N 3.17Š| ||
| 29 | K | 49.4 | Very low | 41.8 | Very low | 201 Ų | 201 | 153 Ų | 153 | 87% | 0.874 | 83% | 0.832 | S | S | * | * | trans | -60.6 | 94.3 | 172.4 | -72 | -175.8 | 178.2 | 179 | 0 | 110.4 | M27 K31 | M27-K29 PolarHBondContact O-N 3.14Å; K29-K31 VanDerWaalsContact C-N 3.34Å; K29-K31 PolarHBondContact O-N 2.88Å | ||
| 30 | K | 47.8 | Very low | 42.6 | Very low | 198 Ų | 198 | 159.4 Ų | 159.4 | 86% | 0.861 | 83% | 0.831 | S | S | * | * | trans | -65.5 | 87.5 | 179 | -169.9 | 172.1 | -174.4 | 176.8 | 0 | 110 | T28 V32 | T28-K30 PolarHBondContact O-N 3.17Å; K30-V32 PolarHBondContact O-N 3.31Å; K30-V32 VanDerWaalsContact O-N 3.1Å | ||
| 31 | K | 47.1 | Very low | 42.9 | Very low | 191 Ų | 191 | 152 Ų | 152 | 83% | 0.83 | 82% | 0.815 | S | S | * | * | trans | -55.1 | 117.2 | 172.7 | -75.4 | -173.4 | 176.6 | -178.5 | 0 | 108.5 | K29 S33 | K29-K31 VanDerWaalsContact C-N 3.34Å; K29-K31 PolarHBondContact O-N 2.88Å; K31-S33 PolarHBondContact O-N 3.18Å | ||
| 32 | V | 44.1 | Very low | 43.3 | Very low | 133 Ų | 133 | 151.4 Ų | 151.4 | 81% | 0.806 | 81% | 0.805 | S | S | * | * | trans | -69.1 | 99.2 | 167.8 | 176 | 0 | 0 | 0 | 0 | 106.8 | K30 Q34 | K30-V32 PolarHBondContact O-N 3.31Å; K30-V32 VanDerWaalsContact O-N 3.1Å; V32-Q34 PolarHBondContact O-N 2.85Å | ||
| 33 | S | 43 | Very low | 44 | Very low | 107 Ų | 107 | 149.8 Ų | 149.8 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | trans | -58 | 112.3 | 167.8 | -66.9 | 0 | 0 | 0 | 0 | 107.9 | K31 K35 | K31-S33 PolarHBondContact O-N 3.18Å; S33-K35 VanDerWaalsContact C-N 3.29Å; S33-K35 PolarHBondContact O-N 3.16Å | ||
| 34 | Q | 55 | Low | 44.7 | Very low | 185 Ų | 185 | 150.7 Ų | 150.7 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | trans | -60.1 | 97.8 | 166.9 | -75.6 | -177.9 | -23 | 0 | 0 | 107.4 | V32 K36 | V32-Q34 PolarHBondContact O-N 2.85Å; Q34-K36 PolarHBondContact O-N 2.88Å | ||
| 35 | K | 42.3 | Very low | 45.1 | Very low | 188 Ų | 188 | 150.3 Ų | 150.3 | 82% | 0.817 | 78% | 0.776 | S | S | * | * | trans | -66.1 | 87.1 | 173.3 | -177.5 | 178.4 | -179.7 | 178.3 | 0 | 106.8 | S33 Q37 | S33-K35 VanDerWaalsContact C-N 3.29Å; S33-K35 PolarHBondContact O-N 3.16Å; K35-Q37 VanDerWaalsContact C-N 3.28Å; K35-Q37 PolarHBondContact O-N 2.7Å | ||
| 36 | K | 43.6 | Very low | 45.9 | Very low | 200 Ų | 200 | 155.4 Ų | 155.4 | 87% | 0.87 | 78% | 0.776 | S | S | * | * | trans | -57.7 | 93.1 | 177.6 | -171 | 174.4 | -173.9 | 175.6 | 0 | 107.5 | Q34 R38 | Q34-K36 PolarHBondContact O-N 2.88Å; K36-R38 VanDerWaalsContact C-N 3.27Å; K36-R38 PolarHBondContact O-N 3.29Å | ||
| 37 | Q | 45.5 | Very low | 47 | Very low | 173 Ų | 173 | 155.4 Ų | 155.4 | 81% | 0.808 | 77% | 0.765 | S | S | * | * | trans | -63.6 | 96.7 | 173.8 | -77.8 | -179.6 | -82.8 | 0 | 0 | 106.3 | K35 G39 | K35-Q37 VanDerWaalsContact C-N 3.28Å; K35-Q37 PolarHBondContact O-N 2.7Å; Q37-G39 PolarHBondContact O-N 3.35Å | ||
| 38 | R | 42.8 | Very low | 48.6 | Very low | 244 Ų | 244 | 152.2 Ų | 152.2 | 92% | 0.921 | 75% | 0.751 | S | S | * | * | trans | -57.5 | 104.9 | 166.8 | -171.8 | 178.5 | -173.8 | -176.4 | 1.3 | 105.2 | K36 R40 | K36-R38 VanDerWaalsContact C-N 3.27Å; K36-R38 PolarHBondContact O-N 3.29Å; R38-R40 PolarHBondContact O-N 2.98Å | ||
| 39 | G | 40.7 | Very low | 50.3 | Low | 61 Ų | 61 | 147.8 Ų | 147.8 | 63% | 0.629 | 72% | 0.722 | S | S | * | * | trans | -55.4 | 124.3 | -157.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q37 P41 | Q37-G39 PolarHBondContact O-N 3.35Å; G39-P41 VanDerWaalsContact O-CD 3.26Å; G39-P41 WeakPolarHBondContact O-CD 3.41Å | ||
| 40 | R | 49.2 | Very low | 52 | Low | 215 Ų | 215 | 139.4 Ų | 139.4 | 81% | 0.811 | 69% | 0.688 | S | S | * | * | trans | -66.6 | 121.6 | 162.1 | -175.4 | -177 | -177.3 | 179.6 | -0.3 | 106 | R38 S42 | R38-R40 PolarHBondContact O-N 2.98Å; R40-S42 PolarHBondContact O-N 3.1Å | ||
| 41 | P | 39.4 | Very low | 53.8 | Low | 92 Ų | 92 | 131.5 Ų | 131.5 | 60% | 0.597 | 66% | 0.662 | S | S | * | * | trans | -72.7 | 62.1 | 174.7 | -17.4 | 34.2 | 0 | 0 | 0 | 110.7 | G39 S43 Q44 | G39-P41 VanDerWaalsContact O-CD 3.26Å; G39-P41 WeakPolarHBondContact O-CD 3.41Å; P41-S43 PolarHBondContact O-N 3.27Å; P41-Q44 HydrophobicContact CB-CG 3.92Å; P41-Q44 PolarHBondContact O-N 2.88Å | ||
| 42 | S | 48.2 | Very low | 55.7 | Low | 88 Ų | 88 | 124.3 Ų | 124.3 | 62% | 0.615 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | 39.7 | -168.8 | -160.2 | 0 | 0 | 0 | 0 | 112.8 | R40 | R40-S42 PolarHBondContact O-N 3.1Š|
| 43 | S | 46.8 | Very low | 57.9 | Low | 110 Ų | 110 | 122.3 Ų | 122.3 | 77% | 0.769 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -169.8 | 23.7 | -177 | 55.6 | 0 | 0 | 0 | 0 | 112.9 | P41 P45 | P41-S43 PolarHBondContact O-N 3.27Å; S43-P45 WeakPolarHBondContact O-CD 3.01Å |
| 44 | Q | 47.5 | Very low | 60.1 | Low | 100 Ų | 100 | 118.4 Ų | 118.4 | 47% | 0.467 | 58% | 0.584 | S | S | . | * | trans | -66.8 | 122 | 172.6 | -66.3 | -161 | -82.4 | 0 | 0 | 109 | P41 R47 | P41-Q44 HydrophobicContact CB-CG 3.92Å; P41-Q44 PolarHBondContact O-N 2.88Å; Q44-R47 HydrophobicContact CB-CG 4Å | ||
| 45 | P | 44.4 | Very low | 61.8 | Low | 116 Ų | 116 | 109.7 Ų | 109.7 | 75% | 0.753 | 54% | 0.543 | S | S | * | . | trans | -63.3 | 139.6 | 179.5 | 27.7 | -34.6 | 0 | 0 | 0 | 109.5 | S43 R47 | S43-P45 WeakPolarHBondContact O-CD 3.01Å; P45-R47 PolarHBondContact O-N 3.33Å | ||
| 46 | R | 56.5 | Low | 64 | Low | 198 Ų | 198 | 103.7 Ų | 103.7 | 75% | 0.747 | 52% | 0.518 | S | S | * | . | trans | -5 | 82.7 | 175.2 | -69.3 | -179.5 | 171.3 | -161.4 | -9.4 | 113.5 | D78 | R46-D78 IonicContact CZ-OD1 3.11Å; R46-D78 IonicContact CZ-OD2 2.75Å; R46-D78 IonicContact NE-OD1 3.07Å; R46-D78 IonicContact NH1-OD1 2.96Å; R46-D78 PolarHBondContact NH1-OD1 2.69Å; R46-D78 IonicContact NH1-OD2 2.69Å; R46-D78 PolarHBondContact NH1-OD2 2.81Å; R46-D78 IonicContact NH2-OD1 2.83Å; R46-D78 PolarHBondContact NH2-OD1 3.01Å; R46-D78 IonicContact NH2-OD2 2.65Å; R46-D78 PolarHBondContact NH2-OD2 3.19Å | ||
| 47 | R | 67.3 | Low | 66.2 | Low | 154 Ų | 154 | 95.6 Ų | 95.6 | 58% | 0.581 | 49% | 0.492 | S | S | * | . | trans | -71.8 | 136.7 | -180 | -53.7 | -168.9 | 75.3 | -170.9 | -10.1 | 107.3 | Q44 P45 I49 | Q44-R47 HydrophobicContact CB-CG 4Å; P45-R47 PolarHBondContact O-N 3.33Å; R47-I49 WeakPolarHBondContact O-CG2 3.41Å; R47-I49 PolarHBondContact O-N 3.11Å; R47-I49 VanDerWaalsContact O-N 3.07Å | ||
| 48 | N | 74.7 | Confident | 68.2 | Low | 112 Ų | 112 | 93.8 Ų | 93.8 | 60% | 0.599 | 48% | 0.478 | S | S | * | . | trans | -58.1 | 117.8 | 166.8 | -176.5 | -11.3 | 0 | 0 | 0 | 108 | V50 Q75 | N48-V50 WeakPolarHBondContact OD1-CB 3.23Å; N48-V50 WeakPolarHBondContact OD1-CG2 3.38Å; N48-V50 PolarHBondContact OD1-N 2.69Å; N48-Q75 PolarHBondContact OD1-NE2 2.83Å | ||
| 49 | I | 81.8 | Confident | 70.4 | Confident | 38 Ų | 38 | 86.9 Ų | 86.9 | 20% | 0.195 | 45% | 0.454 | C | S | . | . | trans | -101.3 | 0.6 | 179.7 | 58 | 171.2 | 0 | 0 | 0 | 112.9 | R47 C52 V72 Q75 I87 | R47-I49 WeakPolarHBondContact O-CG2 3.41Å; R47-I49 PolarHBondContact O-N 3.11Å; R47-I49 VanDerWaalsContact O-N 3.07Å; I49-C52 HydrophobicContact CB-CB 4.41Å; I49-C52 WeakPolarHBondContact O-CB 3.23Å; I49-C52 PolarHBondContact O-N 2.96Å; I49-V72 HydrophobicContact CD1-CG2 4.13Å; I49-V72 HydrophobicContact CG1-CG1 4.32Å; I49-V72 HydrophobicContact CG1-CG2 4.25Å; I49-V72 VanDerWaalsContact O-CB 3.31Å; I49-V72 WeakPolarHBondContact O-CB 3.33Å; I49-Q75 HydrophobicContact CG1-CG 4.22Å; I49-I87 HydrophobicContact CG2-CD1 3.7Å | ||
| 50 | V | 84.5 | Confident | 72.8 | Confident | 25 Ų | 25 | 90.6 Ų | 90.6 | 15% | 0.152 | 46% | 0.456 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | 141.4 | 172.3 | -172.1 | 0 | 0 | 0 | 0 | 109.4 | N48 C52 V72 L73 Q75 T133 | N48-V50 WeakPolarHBondContact OD1-CB 3.23Å; N48-V50 WeakPolarHBondContact OD1-CG2 3.38Å; N48-V50 PolarHBondContact OD1-N 2.69Å; V50-C52 PolarHBondContact O-N 2.85Å; V50-C52 VanDerWaalsContact O-N 3.12Å; V50-V72 HydrophobicContact CG2-CG1 4.31Å; V50-L73 WeakPolarHBondContact CG1-O 3.47Å; V50-Q75 HydrophobicContact CG2-CB 4.23Å; V50-Q75 HydrophobicContact CG2-CG 3.82Å; V50-T133 HydrophobicContact CB-CG2 4.14Å; V50-T133 HydrophobicContact CG1-CG2 3.67Å |
| 51 | G | 85.4 | Confident | 74.8 | Confident | 32 Ų | 32 | 83.4 Ų | 83.4 | 33% | 0.33 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.6 | -16.3 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | T71 V72 T133 | G51-T71 WeakPolarHBondContact O-CG2 3.31Å; G51-V72 PolarHBondContact N-O 2.78Å; G51-T133 WeakPolarHBondContact CA-OG1 3.38Å; G51-T133 PolarHBondContact N-OG1 2.76Å |
| 52 | C | 87.1 | Confident | 77.3 | Confident | 40 Ų | 40 | 86.3 Ų | 86.3 | 27% | 0.27 | 46% | 0.459 | S | S | . | . | trans | -71.5 | 139.7 | 180 | -64.8 | 0 | 0 | 0 | 0 | 111.3 | I49 V50 T71 V72 I87 | I49-C52 HydrophobicContact CB-CB 4.41Å; I49-C52 WeakPolarHBondContact O-CB 3.23Å; I49-C52 PolarHBondContact O-N 2.96Å; V50-C52 PolarHBondContact O-N 2.85Å; V50-C52 VanDerWaalsContact O-N 3.12Å; C52-T71 WeakPolarHBondContact O-CA 3.27Å; C52-V72 PolarHBondContact O-N 2.59Å; C52-I87 HydrophobicContact CB-CG2 4.2Å | ||
| 53 | R | 90.7 | Very high | 79.4 | Confident | 90 Ų | 90 | 88.3 Ų | 88.3 | 34% | 0.34 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 126.5 | 176.9 | -75.8 | -85.3 | -66.1 | 170.9 | -5.5 | 110 | T71 M88 E90 | R53-T71 WeakPolarHBondContact CD-OG1 3.47Å; R53-M88 PolarHBondContact O-N 2.95Å; R53-E90 VanDerWaalsContact CB-CD 3.47Å; R53-E90 HydrophobicContact CB-CG 3.98Å; R53-E90 VanDerWaalsContact CB-OE1 3.27Å; R53-E90 WeakPolarHBondContact CB-OE1 3.14Å; R53-E90 VanDerWaalsContact CG-CD 3.49Å; R53-E90 HydrophobicContact CG-CG 4.43Å; R53-E90 WeakPolarHBondContact CG-OE1 3.31Å; R53-E90 WeakPolarHBondContact CG-OE2 3.1Å; R53-E90 IonicContact CZ-OE1 3.59Å; R53-E90 IonicContact NE-OE1 2.81Å; R53-E90 PolarHBondContact NE-OE1 2.81Å; R53-E90 IonicContact NE-OE2 3.78Å; R53-E90 IonicContact NH2-OE1 3.48Å; R53-E90 PolarHBondContact NH2-OE1 3.01Å |
| 54 | I | 89.7 | Confident | 81.6 | Confident | 26 Ų | 26 | 87.6 Ų | 87.6 | 13% | 0.133 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 157.1 | -166.6 | 56.3 | 163.1 | 0 | 0 | 0 | 111.3 | K69 G70 V72 L85 R86 | I54-K69 WeakPolarHBondContact O-CA 3.46Å; I54-G70 WeakPolarHBondContact CG1-O 3.44Å; I54-G70 PolarHBondContact N-O 3.47Å; I54-G70 PolarHBondContact O-N 2.94Å; I54-V72 HydrophobicContact CD1-CG2 3.95Å; I54-V72 HydrophobicContact CG1-CG2 4.4Å; I54-V72 HydrophobicContact CG2-CG2 3.82Å; I54-L85 HydrophobicContact CB-CD1 4.22Å; I54-L85 HydrophobicContact CB-CD2 4.48Å; I54-L85 HydrophobicContact CB-CG 4.22Å; I54-L85 HydrophobicContact CD1-CD1 3.72Å; I54-L85 HydrophobicContact CG2-CD1 4.11Å; I54-L85 HydrophobicContact CG2-CD2 3.84Å; I54-L85 HydrophobicContact CG2-CG 4.1Å; I54-R86 WeakPolarHBondContact CA-O 3.49Å |
| 55 | S | 90.4 | Very high | 83.6 | Confident | 1 Ų | 1 | 88.8 Ų | 88.8 | 1% | 0.007 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 145.6 | 158.5 | 19.4 | 0 | 0 | 0 | 0 | 110.6 | W68 R86 | S55-W68 CarbonylContact C-O 3.59Å; S55-W68 WeakPolarHBondContact CA-O 3.33Å; S55-W68 WeakPolarHBondContact CB-O 3.39Å; S55-R86 PolarHBondContact N-O 2.82Å; S55-R86 PolarHBondContact O-N 2.73Å; S55-R86 WeakPolarHBondContact OG-CG 3.2Å; S55-R86 VanDerWaalsContact OG-CZ 3.27Å; S55-R86 PolarHBondContact OG-NE 2.84Å; S55-R86 PolarHBondContact OG-NH2 2.92Å; S55-R86 VanDerWaalsContact OG-NH2 3.13Å |
| 56 | H | 87 | Confident | 85.9 | Confident | 62 Ų | 62 | 86.2 Ų | 86.2 | 29% | 0.287 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 142.3 | -170.1 | 173.3 | 51.2 | 0 | 0 | 0 | 109.9 | W58 W68 D84 | H56-W58 AromaticContact NE2-CE3 3.88Å; H56-W68 PolarHBondContact N-O 2.88Å; H56-W68 PolarHBondContact O-N 3.49Å; H56-D84 WeakPolarHBondContact CA-O 3.3Å; H56-D84 PolarHBondContact ND1-O 3.46Å |
| 57 | G | 89.8 | Confident | 87.6 | Confident | 31 Ų | 31 | 82.6 Ų | 82.6 | 32% | 0.32 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 115.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | I65 T66 D84 | G57-I65 VanDerWaalsContact CA-CG2 3.5Å; G57-T66 CarbonylContact C-O 3.58Å; G57-T66 WeakPolarHBondContact CA-O 3.33Å; G57-D84 PolarHBondContact N-O 2.96Å |
| 58 | W | 88 | Confident | 88.8 | Confident | 134 Ų | 134 | 82.8 Ų | 82.8 | 51% | 0.508 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 129.9 | 175.8 | 179.8 | -96.2 | 0 | 0 | 0 | 110.4 | H56 T66 | H56-W58 AromaticContact NE2-CE3 3.88Å; W58-T66 PolarHBondContact N-O 2.92Å; W58-T66 PolarHBondContact O-N 2.98Å; W58-T66 PolarHBondContact O-OG1 2.86Å |
| 59 | K | 89.8 | Confident | 89.7 | Confident | 99 Ų | 99 | 83.9 Ų | 83.9 | 43% | 0.43 | 43% | 0.433 | S | S | . | . | trans | -123.2 | 133.4 | 175.2 | -160.1 | -151.2 | 178.1 | -154.6 | 0 | 109 | G61 D62 E63 I65 | K59-G61 WeakPolarHBondContact CD-O 3.31Å; K59-G61 WeakPolarHBondContact CE-O 3.35Å; K59-G61 PolarHBondContact NZ-O 3.25Å; K59-D62 IonicContact NZ-OD1 2.86Å; K59-D62 PolarHBondContact NZ-OD1 2.8Å; K59-E63 WeakPolarHBondContact CE-O 3.45Å; K59-E63 WeakPolarHBondContact CG-O 3.37Å; K59-I65 HydrophobicContact CB-CG1 4.23Å; K59-I65 HydrophobicContact CG-CG1 4.24Å | ||
| 60 | E | 91.6 | Very high | 90.1 | Very high | 140 Ų | 140 | 83.2 Ų | 83.2 | 65% | 0.654 | 44% | 0.436 | S | S | * | . | trans | -117.4 | 118.7 | 176.1 | -173.2 | 154.9 | -142.4 | 0 | 0 | 109.3 | D62 E63 | E60-D62 PolarHBondContact O-N 2.9Å; E60-D62 VanDerWaalsContact O-N 3.14Å; E60-E63 WeakPolarHBondContact O-CB 3.5Å; E60-E63 PolarHBondContact O-N 3.34Å; E60-E63 VanDerWaalsContact O-N 3.09Å | ||
| 61 | G | 90.2 | Very high | 90.3 | Very high | 64 Ų | 64 | 84.8 Ų | 84.8 | 66% | 0.66 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | -118.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | K59 | K59-G61 WeakPolarHBondContact CD-O 3.31Å; K59-G61 WeakPolarHBondContact CE-O 3.35Å; K59-G61 PolarHBondContact NZ-O 3.25Å |
| 62 | D | 92.8 | Very high | 90.5 | Very high | 153 Ų | 153 | 84.2 Ų | 84.2 | 82% | 0.818 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.7 | 7.7 | 177.9 | -79.3 | -43.4 | 0 | 0 | 0 | 116.1 | K59 E60 | K59-D62 IonicContact NZ-OD1 2.86Å; K59-D62 PolarHBondContact NZ-OD1 2.8Å; E60-D62 PolarHBondContact O-N 2.9Å; E60-D62 VanDerWaalsContact O-N 3.14Å |
| 63 | E | 92.3 | Very high | 90.6 | Very high | 129 Ų | 129 | 84.3 Ų | 84.3 | 60% | 0.603 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -62.1 | 156.5 | 173.2 | -69 | -59.8 | 133 | 0 | 0 | 112.7 | K59 E60 | K59-E63 WeakPolarHBondContact CE-O 3.45Å; K59-E63 WeakPolarHBondContact CG-O 3.37Å; E60-E63 WeakPolarHBondContact O-CB 3.5Å; E60-E63 PolarHBondContact O-N 3.34Å; E60-E63 VanDerWaalsContact O-N 3.09Å |
| 64 | P | 91.9 | Very high | 90.2 | Very high | 96 Ų | 96 | 83.6 Ų | 83.6 | 62% | 0.623 | 44% | 0.437 | S | S | * | . | trans | -63.9 | 151.3 | 174.4 | 27.9 | -35.2 | 0 | 0 | 0 | 111.9 | T66 | P64-T66 PolarHBondContact O-N 2.89Š| ||
| 65 | I | 89.9 | Confident | 89.6 | Confident | 124 Ų | 124 | 86.9 Ų | 86.9 | 64% | 0.636 | 45% | 0.451 | S | S | * | . | trans | -65.3 | 112.4 | -179.5 | -54.4 | 178.8 | 0 | 0 | 0 | 110.1 | G57 K59 | G57-I65 VanDerWaalsContact CA-CG2 3.5Å; K59-I65 HydrophobicContact CB-CG1 4.23Å; K59-I65 HydrophobicContact CG-CG1 4.24Å | ||
| 66 | T | 92.9 | Very high | 88.4 | Confident | 63 Ų | 63 | 94 Ų | 94 | 39% | 0.387 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 144.2 | 172.7 | 62.1 | 0 | 0 | 0 | 0 | 110.1 | G57 W58 P64 W68 | G57-T66 CarbonylContact C-O 3.58Å; G57-T66 WeakPolarHBondContact CA-O 3.33Å; W58-T66 PolarHBondContact N-O 2.92Å; W58-T66 PolarHBondContact O-N 2.98Å; W58-T66 PolarHBondContact O-OG1 2.86Å; P64-T66 PolarHBondContact O-N 2.89Å; T66-W68 PolarHBondContact OG1-NE1 3.19Å |
| 67 | Q | 91.7 | Very high | 86.9 | Confident | 121 Ų | 121 | 98.2 Ų | 98.2 | 57% | 0.565 | 51% | 0.513 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 109.1 | -172.3 | -173 | -166.3 | -114.4 | 0 | 0 | 112.4 | ||
| 68 | W | 93 | Very high | 85.5 | Confident | 159 Ų | 159 | 101.6 Ų | 101.6 | 60% | 0.602 | 52% | 0.523 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 158.3 | -178.2 | -60.5 | 83.5 | 0 | 0 | 0 | 111.8 | S55 H56 T66 | S55-W68 CarbonylContact C-O 3.59Å; S55-W68 WeakPolarHBondContact CA-O 3.33Å; S55-W68 WeakPolarHBondContact CB-O 3.39Å; H56-W68 PolarHBondContact N-O 2.88Å; H56-W68 PolarHBondContact O-N 3.49Å; T66-W68 PolarHBondContact OG1-NE1 3.19Å |
| 69 | K | 92.4 | Very high | 84 | Confident | 134 Ų | 134 | 101.6 Ų | 101.6 | 58% | 0.583 | 53% | 0.533 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 140.8 | 172.8 | -75 | 179.1 | 177.9 | 178.4 | 0 | 108.9 | I54 | I54-K69 WeakPolarHBondContact O-CA 3.46Å |
| 70 | G | 90.8 | Very high | 82.8 | Confident | 25 Ų | 25 | 101.8 Ų | 101.8 | 26% | 0.258 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.5 | -170.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | I54 | I54-G70 WeakPolarHBondContact CG1-O 3.44Å; I54-G70 PolarHBondContact N-O 3.47Å; I54-G70 PolarHBondContact O-N 2.94Å |
| 71 | T | 89.9 | Confident | 81.3 | Confident | 57 Ų | 57 | 102.4 Ų | 102.4 | 35% | 0.35 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 136.7 | 170.4 | -50.5 | 0 | 0 | 0 | 0 | 106.6 | G51 C52 R53 L73 | G51-T71 WeakPolarHBondContact O-CG2 3.31Å; C52-T71 WeakPolarHBondContact O-CA 3.27Å; R53-T71 WeakPolarHBondContact CD-OG1 3.47Å; T71-L73 HydrophobicContact CG2-CD2 4.22Å; T71-L73 PolarHBondContact O-N 3.24Å |
| 72 | V | 88.4 | Confident | 79.8 | Confident | 20 Ų | 20 | 107.9 Ų | 107.9 | 12% | 0.121 | 54% | 0.541 | C | S | . | . | trans | -73.3 | 126.6 | 170.8 | -176.6 | 0 | 0 | 0 | 0 | 108 | I49 V50 G51 C52 I54 D74 Q75 | I49-V72 HydrophobicContact CD1-CG2 4.13Å; I49-V72 HydrophobicContact CG1-CG1 4.32Å; I49-V72 HydrophobicContact CG1-CG2 4.25Å; I49-V72 VanDerWaalsContact O-CB 3.31Å; I49-V72 WeakPolarHBondContact O-CB 3.33Å; V50-V72 HydrophobicContact CG2-CG1 4.31Å; G51-V72 PolarHBondContact N-O 2.78Å; C52-V72 PolarHBondContact O-N 2.59Å; I54-V72 HydrophobicContact CD1-CG2 3.95Å; I54-V72 HydrophobicContact CG1-CG2 4.4Å; I54-V72 HydrophobicContact CG2-CG2 3.82Å; V72-D74 WeakPolarHBondContact CG1-O 3.22Å; V72-Q75 HydrophobicContact CG1-CG 4.48Å | ||
| 73 | L | 88.6 | Confident | 78.5 | Confident | 43 Ų | 43 | 103.4 Ų | 103.4 | 23% | 0.225 | 53% | 0.531 | C | S | . | . | trans | -106.7 | -21.9 | -176.3 | -57.4 | 178.6 | 0 | 0 | 0 | 113.1 | V50 T71 V131 V137 F139 V150 | V50-L73 WeakPolarHBondContact CG1-O 3.47Å; T71-L73 HydrophobicContact CG2-CD2 4.22Å; T71-L73 PolarHBondContact O-N 3.24Å; L73-V131 HydrophobicContact CB-CG1 4.26Å; L73-V131 HydrophobicContact CB-CG2 4.08Å; L73-V131 HydrophobicContact CD2-CG1 4.21Å; L73-V131 WeakPolarHBondContact O-CG1 3.45Å; L73-V137 HydrophobicContact CD1-CG1 4.32Å; L73-F139 HydrophobicContact CB-CE1 4.16Å; L73-F139 HydrophobicContact CB-CZ 4.02Å; L73-F139 HydrophobicContact CD1-CE1 4.07Å; L73-V150 HydrophobicContact CD1-CB 4.45Å; L73-V150 HydrophobicContact CD1-CG1 3.5Å; L73-V150 HydrophobicContact CD1-CG2 4.14Å | ||
| 74 | D | 84.1 | Confident | 77.5 | Confident | 75 Ų | 75 | 101.6 Ų | 101.6 | 40% | 0.401 | 53% | 0.525 | S | S | . | . | trans | -156.8 | 166.8 | 175.2 | -169.7 | 12.8 | 0 | 0 | 0 | 109.1 | V72 | V72-D74 WeakPolarHBondContact CG1-O 3.22Š| ||
| 75 | Q | 76.8 | Confident | 76.6 | Confident | 94 Ų | 94 | 98.9 Ų | 98.9 | 44% | 0.439 | 51% | 0.505 | S | S | . | . | trans | -122.8 | 95.8 | 175.3 | -86.8 | -179.9 | 104.4 | 0 | 0 | 111.3 | N48 I49 V50 V72 | N48-Q75 PolarHBondContact OD1-NE2 2.83Å; I49-Q75 HydrophobicContact CG1-CG 4.22Å; V50-Q75 HydrophobicContact CG2-CB 4.23Å; V50-Q75 HydrophobicContact CG2-CG 3.82Å; V72-Q75 HydrophobicContact CG1-CG 4.48Å | ||
| 76 | L | 64.3 | Low | 76.2 | Confident | 150 Ų | 150 | 98.7 Ų | 98.7 | 79% | 0.785 | 50% | 0.497 | S | S | * | . | trans | -104.1 | 104.4 | 174 | -68.8 | 166.6 | 0 | 0 | 0 | 110.1 | ||||
| 77 | L | 55.7 | Low | 75.6 | Confident | 152 Ų | 152 | 99.8 Ų | 99.8 | 80% | 0.796 | 50% | 0.499 | S | S | * | . | trans | 65.1 | 153.7 | 178.1 | -64.1 | 167.7 | 0 | 0 | 0 | 116.7 | D79 | L77-D79 PolarHBondContact O-N 3.26Š| ||
| 78 | D | 59.9 | Low | 75 | Confident | 102 Ų | 102 | 96.9 Ų | 96.9 | 55% | 0.545 | 49% | 0.487 | S | S | . | . | S | Bend | trans | -82.3 | 21.6 | -172.5 | -70.3 | -60.5 | 0 | 0 | 0 | 114.2 | R46 Y80 | R46-D78 IonicContact CZ-OD1 3.11Å; R46-D78 IonicContact CZ-OD2 2.75Å; R46-D78 IonicContact NE-OD1 3.07Å; R46-D78 IonicContact NH1-OD1 2.96Å; R46-D78 PolarHBondContact NH1-OD1 2.69Å; R46-D78 IonicContact NH1-OD2 2.69Å; R46-D78 PolarHBondContact NH1-OD2 2.81Å; R46-D78 IonicContact NH2-OD1 2.83Å; R46-D78 PolarHBondContact NH2-OD1 3.01Å; R46-D78 IonicContact NH2-OD2 2.65Å; R46-D78 PolarHBondContact NH2-OD2 3.19Å; D78-Y80 PolarHBondContact O-N 3.5Å |
| 79 | D | 57 | Low | 73.9 | Confident | 134 Ų | 134 | 95.6 Ų | 95.6 | 72% | 0.717 | 50% | 0.498 | S | S | * | . | trans | -72.2 | 8.5 | -165.7 | -66.4 | -40.4 | 0 | 0 | 0 | 115.3 | L77 | L77-D79 PolarHBondContact O-N 3.26Š| ||
| 80 | Y | 64.9 | Low | 72.1 | Confident | 102 Ų | 102 | 93.9 Ų | 93.9 | 40% | 0.4 | 49% | 0.493 | S | S | . | . | trans | -68.4 | 130.9 | -179.2 | 171.3 | -117.6 | 0 | 0 | 0 | 113.3 | D78 G83 L85 | D78-Y80 PolarHBondContact O-N 3.5Å; Y80-G83 PolarHBondContact OH-N 3.12Å; Y80-L85 HydrophobicContact CD2-CB 4.16Å; Y80-L85 HydrophobicContact CE2-CB 3.36Å; Y80-L85 PolarHBondContact OH-N 2.86Å; Y80-L85 PolarHBondContact OH-O 2.81Å | ||
| 81 | K | 60.4 | Low | 70.1 | Confident | 153 Ų | 153 | 98.5 Ų | 98.5 | 67% | 0.665 | 52% | 0.521 | S | S | * | . | trans | -90.5 | 113.6 | 171.6 | -59 | -168.3 | -168.2 | -50.4 | 0 | 110.7 | G83 D84 | K81-G83 PolarHBondContact O-N 2.95Å; K81-D84 PolarHBondContact O-N 3.07Å | ||
| 82 | E | 58.5 | Low | 68.2 | Low | 180 Ų | 180 | 100.8 Ų | 100.8 | 84% | 0.841 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | 99.6 | -179.5 | -175.7 | 68.3 | -91.1 | 0 | 0 | 112.6 | ||
| 83 | G | 64.8 | Low | 66.3 | Low | 59 Ų | 59 | 108.8 Ų | 108.8 | 61% | 0.608 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 149.3 | -35 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y80 K81 | Y80-G83 PolarHBondContact OH-N 3.12Å; K81-G83 PolarHBondContact O-N 2.95Å |
| 84 | D | 70.9 | Confident | 64.1 | Low | 90 Ų | 90 | 111.2 Ų | 111.2 | 48% | 0.481 | 60% | 0.596 | S | S | . | * | S | Bend | trans | -85.5 | -11.1 | -166.2 | -62.4 | -35.1 | 0 | 0 | 0 | 114.5 | H56 G57 K81 | H56-D84 WeakPolarHBondContact CA-O 3.3Å; H56-D84 PolarHBondContact ND1-O 3.46Å; G57-D84 PolarHBondContact N-O 2.96Å; K81-D84 PolarHBondContact O-N 3.07Å |
| 85 | L | 74.6 | Confident | 62.5 | Low | 39 Ų | 39 | 112.6 Ų | 112.6 | 20% | 0.204 | 61% | 0.609 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -123.3 | 121.8 | -179.7 | -177.7 | 140 | 0 | 0 | 0 | 110.1 | I54 Y80 I87 | I54-L85 HydrophobicContact CB-CD1 4.22Å; I54-L85 HydrophobicContact CB-CD2 4.48Å; I54-L85 HydrophobicContact CB-CG 4.22Å; I54-L85 HydrophobicContact CD1-CD1 3.72Å; I54-L85 HydrophobicContact CG2-CD1 4.11Å; I54-L85 HydrophobicContact CG2-CD2 3.84Å; I54-L85 HydrophobicContact CG2-CG 4.1Å; Y80-L85 HydrophobicContact CD2-CB 4.16Å; Y80-L85 HydrophobicContact CE2-CB 3.36Å; Y80-L85 PolarHBondContact OH-N 2.86Å; Y80-L85 PolarHBondContact OH-O 2.81Å; L85-I87 HydrophobicContact CD2-CG1 4.28Å |
| 86 | R | 80.3 | Confident | 61.1 | Low | 120 Ų | 120 | 113.3 Ų | 113.3 | 45% | 0.453 | 62% | 0.621 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.3 | 123 | 172.7 | 71.9 | -171.2 | -171.2 | -124 | -2.8 | 110.2 | I54 S55 M88 | I54-R86 WeakPolarHBondContact CA-O 3.49Å; S55-R86 PolarHBondContact N-O 2.82Å; S55-R86 PolarHBondContact O-N 2.73Å; S55-R86 WeakPolarHBondContact OG-CG 3.2Å; S55-R86 VanDerWaalsContact OG-CZ 3.27Å; S55-R86 PolarHBondContact OG-NE 2.84Å; S55-R86 PolarHBondContact OG-NH2 2.92Å; S55-R86 VanDerWaalsContact OG-NH2 3.13Å; R86-M88 PolarHBondContact O-N 2.95Å |
| 87 | I | 80.7 | Confident | 60.1 | Low | 86 Ų | 86 | 110.4 Ų | 110.4 | 44% | 0.441 | 61% | 0.61 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -69 | 125.8 | 167.3 | -57.2 | 170.4 | 0 | 0 | 0 | 107.4 | I49 C52 L85 | I49-I87 HydrophobicContact CG2-CD1 3.7Å; C52-I87 HydrophobicContact CB-CG2 4.2Å; L85-I87 HydrophobicContact CD2-CG1 4.28Å |
| 88 | M | 79.5 | Confident | 59.8 | Low | 61 Ų | 61 | 112.6 Ų | 112.6 | 30% | 0.3 | 62% | 0.617 | S | S | . | * | trans | -80.9 | 131.4 | 172.1 | -71.7 | -170.3 | 54.9 | 0 | 0 | 109.2 | R53 R86 E90 | R53-M88 PolarHBondContact O-N 2.95Å; R86-M88 PolarHBondContact O-N 2.95Å; M88-E90 VanDerWaalsContact C-N 3.31Å; M88-E90 HydrophobicContact CB-CG 4.47Å; M88-E90 PolarHBondContact O-N 2.86Å | ||
| 89 | P | 68.4 | Low | 59.8 | Low | 131 Ų | 131 | 117.7 Ų | 117.7 | 85% | 0.851 | 63% | 0.628 | S | S | * | * | trans | -74.5 | 87.1 | 173.5 | 31.1 | -33.3 | 0 | 0 | 0 | 109.1 | ||||
| 90 | E | 55.8 | Low | 59.4 | Low | 99 Ų | 99 | 119 Ų | 119 | 46% | 0.463 | 63% | 0.63 | S | S | . | * | trans | -79 | 148.7 | 170.1 | -62.6 | -159.6 | 177.8 | 0 | 0 | 110.3 | R53 M88 S92 | R53-E90 VanDerWaalsContact CB-CD 3.47Å; R53-E90 HydrophobicContact CB-CG 3.98Å; R53-E90 VanDerWaalsContact CB-OE1 3.27Å; R53-E90 WeakPolarHBondContact CB-OE1 3.14Å; R53-E90 VanDerWaalsContact CG-CD 3.49Å; R53-E90 HydrophobicContact CG-CG 4.43Å; R53-E90 WeakPolarHBondContact CG-OE1 3.31Å; R53-E90 WeakPolarHBondContact CG-OE2 3.1Å; R53-E90 IonicContact CZ-OE1 3.59Å; R53-E90 IonicContact NE-OE1 2.81Å; R53-E90 PolarHBondContact NE-OE1 2.81Å; R53-E90 IonicContact NE-OE2 3.78Å; R53-E90 IonicContact NH2-OE1 3.48Å; R53-E90 PolarHBondContact NH2-OE1 3.01Å; M88-E90 VanDerWaalsContact C-N 3.31Å; M88-E90 HydrophobicContact CB-CG 4.47Å; M88-E90 PolarHBondContact O-N 2.86Å; E90-S92 PolarHBondContact O-N 3.48Å; E90-S92 VanDerWaalsContact O-N 3.12Å | ||
| 91 | S | 48.2 | Very low | 58.7 | Low | 121 Ų | 121 | 120.7 Ų | 120.7 | 85% | 0.846 | 65% | 0.654 | S | S | * | * | trans | -65 | 109.5 | 175.4 | 47.3 | 0 | 0 | 0 | 0 | 108.9 | E93 | S91-E93 PolarHBondContact O-N 2.99Š| ||
| 92 | S | 50.8 | Low | 58.3 | Low | 105 Ų | 105 | 116.4 Ų | 116.4 | 73% | 0.734 | 65% | 0.652 | S | S | * | * | trans | -61.9 | 107.5 | -170.5 | 58.1 | 0 | 0 | 0 | 0 | 112.4 | E90 | E90-S92 PolarHBondContact O-N 3.48Å; E90-S92 VanDerWaalsContact O-N 3.12Å | ||
| 93 | E | 49.1 | Very low | 58 | Low | 188 Ų | 188 | 110.4 Ų | 110.4 | 88% | 0.879 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -56 | 145.9 | 133.1 | -161.2 | 166.1 | 130 | 0 | 0 | 107.8 | S91 | S91-E93 PolarHBondContact O-N 2.99Š|
| 94 | S | 41.2 | Very low | 57.4 | Low | 95 Ų | 95 | 114.2 Ų | 114.2 | 66% | 0.664 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -51 | 147.8 | -160.8 | -58.4 | 0 | 0 | 0 | 0 | 113.8 | ||
| 95 | P | 50 | Low | 56.9 | Low | 104 Ų | 104 | 114.2 Ų | 114.2 | 68% | 0.675 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -52 | 139 | 163.9 | 26.3 | -34.5 | 0 | 0 | 0 | 108.4 | T97 | P95-T97 PolarHBondContact O-N 3.03Š|
| 96 | P | 48.2 | Very low | 56.5 | Low | 108 Ų | 108 | 116 Ų | 116 | 70% | 0.701 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 118 | -177.5 | 22.5 | -32.5 | 0 | 0 | 0 | 108.2 | E98 | P96-E98 PolarHBondContact O-N 3.12Š|
| 97 | T | 43.6 | Very low | 56.6 | Low | 90 Ų | 90 | 112.4 Ų | 112.4 | 55% | 0.552 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -56 | 130.6 | 175.4 | -51.5 | 0 | 0 | 0 | 0 | 107.7 | P95 R99 | P95-T97 PolarHBondContact O-N 3.03Å; T97-R99 HydrophobicContact CG2-CG 4.36Å; T97-R99 WeakPolarHBondContact O-CG 3.29Å; T97-R99 PolarHBondContact O-N 2.88Å |
| 98 | E | 48.3 | Very low | 57.1 | Low | 198 Ų | 198 | 110.5 Ų | 110.5 | 93% | 0.925 | 65% | 0.654 | S | S | * | * | trans | -53.5 | 107.8 | 168.5 | -69.4 | 176.2 | 105.4 | 0 | 0 | 107.4 | P96 | P96-E98 PolarHBondContact O-N 3.12Š| ||
| 99 | R | 59.8 | Low | 57.7 | Low | 209 Ų | 209 | 111 Ų | 111 | 79% | 0.789 | 66% | 0.656 | S | S | * | * | trans | -121.3 | 131.5 | -174.3 | -85.2 | 176.5 | 176.9 | 170.4 | 1.8 | 108.1 | T97 | T97-R99 HydrophobicContact CG2-CG 4.36Å; T97-R99 WeakPolarHBondContact O-CG 3.29Å; T97-R99 PolarHBondContact O-N 2.88Å | ||
| 100 | E | 48.7 | Very low | 58.9 | Low | 160 Ų | 160 | 106.8 Ų | 106.8 | 75% | 0.748 | 64% | 0.637 | S | S | * | * | trans | -40 | 142.9 | 176.6 | -68.2 | -72.4 | 98.4 | 0 | 0 | 112.5 | G102 G103 | E100-G102 PolarHBondContact O-N 3.06Å; E100-G103 PolarHBondContact O-N 2.84Å; E100-G103 VanDerWaalsContact O-N 3.14Å | ||
| 101 | P | 50.8 | Low | 60.8 | Low | 139 Ų | 139 | 107.3 Ų | 107.3 | 90% | 0.903 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | 17.6 | 178.2 | 30.9 | -37 | 0 | 0 | 0 | 114.2 | ||
| 102 | G | 52.3 | Low | 63 | Low | 62 Ų | 62 | 108.2 Ų | 108.2 | 64% | 0.639 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110 | 11.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | E100 V104 | E100-G102 PolarHBondContact O-N 3.06Å; G102-V104 PolarHBondContact O-N 2.63Å; G102-V104 VanDerWaalsContact O-N 3.17Å |
| 103 | G | 52.2 | Low | 65.1 | Low | 54 Ų | 54 | 105.1 Ų | 105.1 | 56% | 0.557 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -56.1 | 118.4 | 166.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | E100 V105 | E100-G103 PolarHBondContact O-N 2.84Å; E100-G103 VanDerWaalsContact O-N 3.14Å; G103-V105 PolarHBondContact O-N 3.49Å |
| 104 | V | 52.1 | Low | 67.3 | Low | 139 Ų | 139 | 101.2 Ų | 101.2 | 84% | 0.842 | 59% | 0.587 | S | S | * | * | trans | -56.6 | 102.7 | -166.8 | -177.8 | 0 | 0 | 0 | 0 | 110.8 | G102 D106 | G102-V104 PolarHBondContact O-N 2.63Å; G102-V104 VanDerWaalsContact O-N 3.17Å; V104-D106 PolarHBondContact O-N 2.65Å | ||
| 105 | V | 59.5 | Low | 69.7 | Low | 90 Ų | 90 | 101.7 Ų | 101.7 | 55% | 0.545 | 58% | 0.575 | S | S | . | * | trans | -56.2 | 120.2 | 167.8 | -175.9 | 0 | 0 | 0 | 0 | 106.2 | G103 G107 I109 | G103-V105 PolarHBondContact O-N 3.49Å; V105-G107 PolarHBondContact O-N 2.75Å; V105-G107 VanDerWaalsContact O-N 3.16Å; V105-I109 HydrophobicContact CG1-CG1 3.93Å | ||
| 106 | D | 67.8 | Low | 71.8 | Confident | 78 Ų | 78 | 100 Ų | 100 | 42% | 0.417 | 56% | 0.562 | S | S | . | * | trans | -62.9 | 125.5 | 176 | -170.7 | -1.7 | 0 | 0 | 0 | 106.3 | V104 L108 Y138 | V104-D106 PolarHBondContact O-N 2.65Å; D106-L108 HydrophobicContact CB-CG 4.48Å; D106-L108 PolarHBondContact O-N 2.89Å; D106-Y138 WeakPolarHBondContact CB-OH 3.15Å; D106-Y138 PolarHBondContact OD2-OH 3.04Å; D106-Y138 VanDerWaalsContact OD2-OH 3.11Å | ||
| 107 | G | 82.5 | Confident | 73.8 | Confident | 44 Ų | 44 | 98.4 Ų | 98.4 | 45% | 0.454 | 55% | 0.545 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | 31.1 | -164.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | V105 K111 | V105-G107 PolarHBondContact O-N 2.75Å; V105-G107 VanDerWaalsContact O-N 3.16Å; G107-K111 WeakPolarHBondContact O-CD 3.32Å; G107-K111 WeakPolarHBondContact O-CE 3.45Å; G107-K111 PolarHBondContact O-NZ 2.82Å |
| 108 | L | 89.8 | Confident | 76.2 | Confident | 46 Ų | 46 | 103.9 Ų | 103.9 | 24% | 0.241 | 56% | 0.564 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -81.5 | -26 | 176.6 | -55.5 | -175.7 | 0 | 0 | 0 | 112.1 | D106 G110 K111 V127 Y138 L153 | D106-L108 HydrophobicContact CB-CG 4.48Å; D106-L108 PolarHBondContact O-N 2.89Å; L108-G110 PolarHBondContact O-N 2.9Å; L108-K111 HydrophobicContact CD2-CD 4.33Å; L108-K111 VanDerWaalsContact O-CB 3.23Å; L108-K111 WeakPolarHBondContact O-CB 3.28Å; L108-K111 PolarHBondContact O-N 2.74Å; L108-V127 HydrophobicContact CB-CG1 4.48Å; L108-V127 HydrophobicContact CB-CG2 4.39Å; L108-V127 WeakPolarHBondContact O-CB 3.01Å; L108-Y138 HydrophobicContact CB-CE1 4.33Å; L108-Y138 HydrophobicContact CD1-CE1 4.12Å; L108-Y138 HydrophobicContact CD1-CE2 4.2Å; L108-L153 HydrophobicContact CD1-CD1 4.09Å |
| 109 | I | 92.9 | Very high | 78.4 | Confident | 70 Ų | 70 | 99.6 Ų | 99.6 | 36% | 0.359 | 55% | 0.547 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | 130.3 | 176.5 | -52.8 | -53.7 | 0 | 0 | 0 | 110.4 | V105 K111 V127 H129 Q130 Y138 | V105-I109 HydrophobicContact CG1-CG1 3.93Å; I109-K111 PolarHBondContact O-N 3.23Å; I109-V127 HydrophobicContact CD1-CG1 4.05Å; I109-H129 VanDerWaalsContact CD1-C 3.49Å; I109-Q130 HydrophobicContact CD1-CB 3.95Å; I109-Y138 HydrophobicContact CD1-CD1 4.44Å |
| 110 | G | 93.7 | Very high | 79.9 | Confident | 43 Ų | 43 | 92 Ų | 92 | 44% | 0.443 | 54% | 0.535 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.1 | -4.1 | -176 | 0 | 0 | 0 | 0 | 0 | 115 | L108 V127 | L108-G110 PolarHBondContact O-N 2.9Å; G110-V127 PolarHBondContact N-O 2.56Å |
| 111 | K | 95.4 | Very high | 82 | Confident | 110 Ų | 110 | 86.5 Ų | 86.5 | 48% | 0.478 | 51% | 0.514 | S | S | . | . | trans | -77.2 | 143.7 | 170.1 | -66.2 | -170.4 | 176.1 | 135.9 | 0 | 110.6 | G107 L108 I109 M126 V127 | G107-K111 WeakPolarHBondContact O-CD 3.32Å; G107-K111 WeakPolarHBondContact O-CE 3.45Å; G107-K111 PolarHBondContact O-NZ 2.82Å; L108-K111 HydrophobicContact CD2-CD 4.33Å; L108-K111 VanDerWaalsContact O-CB 3.23Å; L108-K111 WeakPolarHBondContact O-CB 3.28Å; L108-K111 PolarHBondContact O-N 2.74Å; I109-K111 PolarHBondContact O-N 3.23Å; K111-M126 WeakPolarHBondContact O-CA 3.34Å; K111-V127 PolarHBondContact O-N 2.92Å; K111-V127 VanDerWaalsContact O-N 3.1Å | ||
| 112 | H | 94.8 | Very high | 84.2 | Confident | 141 Ų | 141 | 85.9 Ų | 85.9 | 65% | 0.653 | 50% | 0.497 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 144.1 | 168.3 | -66.4 | 66.3 | 0 | 0 | 0 | 109.6 | G125 | H112-G125 CarbonylContact C-O 2.97Å; H112-G125 VanDerWaalsContact CA-O 3.23Å; H112-G125 WeakPolarHBondContact CA-O 3.42Å |
| 113 | V | 94.1 | Very high | 86.2 | Confident | 40 Ų | 40 | 84.2 Ų | 84.2 | 24% | 0.242 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 147.2 | 176.5 | -71.4 | 0 | 0 | 0 | 0 | 109.2 | I124 G125 V127 I140 | V113-I124 WeakPolarHBondContact O-CA 3.27Å; V113-G125 WeakPolarHBondContact CG2-O 3.45Å; V113-G125 PolarHBondContact N-O 3.03Å; V113-G125 PolarHBondContact O-N 3.27Å; V113-V127 HydrophobicContact CG1-CG2 3.66Å; V113-V127 HydrophobicContact CG2-CG2 4.49Å; V113-I140 HydrophobicContact CG2-CD1 4.33Å; V113-I140 HydrophobicContact CG2-CG2 3.67Å |
| 114 | E | 95.2 | Very high | 88.3 | Confident | 106 Ų | 106 | 85.9 Ų | 85.9 | 50% | 0.495 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 128.3 | 176.4 | -163.3 | -151 | 79.2 | 0 | 0 | 108.9 | K122 R123 I124 | E114-K122 HydrophobicContact CG-CB 4.1Å; E114-K122 HydrophobicContact CG-CG 4.26Å; E114-K122 WeakPolarHBondContact OE1-CE 3.31Å; E114-K122 IonicContact OE1-NZ 2.81Å; E114-K122 PolarHBondContact OE1-NZ 2.8Å; E114-K122 WeakPolarHBondContact OE2-CD 3.41Å; E114-K122 IonicContact OE2-NZ 3.7Å; E114-K122 PolarHBondContact OE2-NZ 2.94Å; E114-R123 WeakPolarHBondContact CA-O 3.44Å; E114-I124 HydrophobicContact CG-CG1 4.48Å |
| 115 | Y | 92.1 | Very high | 90.5 | Very high | 104 Ų | 104 | 79.3 Ų | 79.3 | 41% | 0.408 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 118.3 | 175.4 | 174.6 | -107.4 | 0 | 0 | 0 | 109.8 | K117 K122 R123 F142 | Y115-K117 HydrophobicContact CD1-CG 4.24Å; Y115-K117 HydrophobicContact CE1-CB 4.4Å; Y115-K117 HydrophobicContact CE1-CG 3.9Å; Y115-K122 CarbonylContact O-C 3.59Å; Y115-K122 WeakPolarHBondContact O-CA 3.26Å; Y115-R123 PolarHBondContact N-O 3.48Å; Y115-R123 PolarHBondContact O-N 2.81Å; Y115-F142 HydrophobicContact CG-CZ 4.32Å |
| 116 | T | 94.1 | Very high | 92.2 | Very high | 68 Ų | 68 | 78.6 Ų | 78.6 | 42% | 0.417 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 122.9 | 170.3 | -54.9 | 0 | 0 | 0 | 0 | 109.1 | S121 | T116-S121 CarbonylContact C-O 3.52Å; T116-S121 WeakPolarHBondContact CA-O 3.38Å |
| 117 | K | 90.7 | Very high | 93.6 | Very high | 76 Ų | 76 | 75 Ų | 75 | 33% | 0.33 | 40% | 0.399 | S | S | . | . | trans | -76.3 | 171.6 | 174 | -61.6 | -173.7 | -154.8 | 143.1 | 0 | 111.5 | Y115 D119 G120 S121 | Y115-K117 HydrophobicContact CD1-CG 4.24Å; Y115-K117 HydrophobicContact CE1-CB 4.4Å; Y115-K117 HydrophobicContact CE1-CG 3.9Å; K117-D119 VanDerWaalsContact CB-OD1 3.29Å; K117-D119 WeakPolarHBondContact CB-OD1 3.49Å; K117-D119 IonicContact NZ-OD2 3.85Å; K117-D119 PolarHBondContact O-N 3.33Å; K117-G120 PolarHBondContact O-N 3.02Å; K117-S121 WeakPolarHBondContact CD-OG 3.48Å; K117-S121 WeakPolarHBondContact CE-OG 3.46Å; K117-S121 PolarHBondContact N-O 2.84Å; K117-S121 PolarHBondContact NZ-OG 2.93Å | ||
| 118 | E | 92.6 | Very high | 94.2 | Very high | 205 Ų | 205 | 76 Ų | 76 | 96% | 0.958 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -27.7 | 171.7 | 65.3 | -168 | 169 | 0 | 0 | 114.4 | G120 | E118-G120 PolarHBondContact O-N 2.76Š|
| 119 | D | 94.7 | Very high | 94.3 | Very high | 107 Ų | 107 | 77 Ų | 77 | 57% | 0.572 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -0.1 | 174.5 | 66 | 15.4 | 0 | 0 | 0 | 113.7 | K117 S121 | K117-D119 VanDerWaalsContact CB-OD1 3.29Å; K117-D119 WeakPolarHBondContact CB-OD1 3.49Å; K117-D119 IonicContact NZ-OD2 3.85Å; K117-D119 PolarHBondContact O-N 3.33Å; D119-S121 VanDerWaalsContact CG-OG 3.29Å; D119-S121 PolarHBondContact O-N 3.07Å; D119-S121 WeakPolarHBondContact OD1-CA 3.42Å; D119-S121 WeakPolarHBondContact OD1-CB 3.5Å; D119-S121 PolarHBondContact OD1-N 2.91Å; D119-S121 PolarHBondContact OD1-OG 2.93Å; D119-S121 PolarHBondContact OD2-OG 2.71Å |
| 120 | G | 92.6 | Very high | 94.3 | Very high | 51 Ų | 51 | 75.1 Ų | 75.1 | 53% | 0.526 | 39% | 0.386 | S | S | . | . | S | Bend | trans | 78.3 | -4.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115 | K117 E118 | K117-G120 PolarHBondContact O-N 3.02Å; E118-G120 PolarHBondContact O-N 2.76Å |
| 121 | S | 93.3 | Very high | 94.1 | Very high | 44 Ų | 44 | 73.1 Ų | 73.1 | 31% | 0.308 | 37% | 0.365 | S | S | . | . | trans | -71.1 | 152 | 172.3 | 74 | 0 | 0 | 0 | 0 | 111.4 | T116 K117 D119 | T116-S121 CarbonylContact C-O 3.52Å; T116-S121 WeakPolarHBondContact CA-O 3.38Å; K117-S121 WeakPolarHBondContact CD-OG 3.48Å; K117-S121 WeakPolarHBondContact CE-OG 3.46Å; K117-S121 PolarHBondContact N-O 2.84Å; K117-S121 PolarHBondContact NZ-OG 2.93Å; D119-S121 VanDerWaalsContact CG-OG 3.29Å; D119-S121 PolarHBondContact O-N 3.07Å; D119-S121 WeakPolarHBondContact OD1-CA 3.42Å; D119-S121 WeakPolarHBondContact OD1-CB 3.5Å; D119-S121 PolarHBondContact OD1-N 2.91Å; D119-S121 PolarHBondContact OD1-OG 2.93Å; D119-S121 PolarHBondContact OD2-OG 2.71Å | ||
| 122 | K | 95.3 | Very high | 93.6 | Very high | 125 Ų | 125 | 76 Ų | 76 | 54% | 0.543 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 131.7 | -177.2 | -72.2 | 158.6 | 168.2 | -100.9 | 0 | 110.2 | E114 Y115 | E114-K122 HydrophobicContact CG-CB 4.1Å; E114-K122 HydrophobicContact CG-CG 4.26Å; E114-K122 WeakPolarHBondContact OE1-CE 3.31Å; E114-K122 IonicContact OE1-NZ 2.81Å; E114-K122 PolarHBondContact OE1-NZ 2.8Å; E114-K122 WeakPolarHBondContact OE2-CD 3.41Å; E114-K122 IonicContact OE2-NZ 3.7Å; E114-K122 PolarHBondContact OE2-NZ 2.94Å; Y115-K122 CarbonylContact O-C 3.59Å; Y115-K122 WeakPolarHBondContact O-CA 3.26Å |
| 123 | R | 95.2 | Very high | 93 | Very high | 27 Ų | 27 | 71.9 Ų | 71.9 | 10% | 0.102 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 137.7 | 166.5 | -57.7 | -179.6 | 75.7 | -178.3 | 3.8 | 108.9 | E114 Y115 F142 D144 D145 Y149 | E114-R123 WeakPolarHBondContact CA-O 3.44Å; Y115-R123 PolarHBondContact N-O 3.48Å; Y115-R123 PolarHBondContact O-N 2.81Å; R123-F142 HydrophobicContact CB-CD1 3.78Å; R123-F142 HydrophobicContact CB-CE1 4.17Å; R123-F142 HydrophobicContact CB-CG 4.28Å; R123-D144 IonicContact CZ-OD1 3.17Å; R123-D144 IonicContact CZ-OD2 3.59Å; R123-D144 VanDerWaalsContact NE-CG 3.27Å; R123-D144 IonicContact NE-OD1 2.8Å; R123-D144 PolarHBondContact NE-OD1 2.99Å; R123-D144 IonicContact NE-OD2 2.93Å; R123-D144 PolarHBondContact NE-OD2 2.84Å; R123-D144 IonicContact NH2-OD1 2.71Å; R123-D144 PolarHBondContact NH2-OD1 3.1Å; R123-D144 IonicContact NH2-OD2 3.54Å; R123-D145 IonicContact CZ-OD2 3.7Å; R123-D145 IonicContact NH1-OD2 3.74Å; R123-D145 IonicContact NH2-OD1 3.9Å; R123-D145 IonicContact NH2-OD2 2.76Å; R123-D145 PolarHBondContact NH2-OD2 2.88Å; R123-Y149 PolarHBondContact NH1-OH 3.07Å |
| 124 | I | 96.7 | Very high | 92.7 | Very high | 90 Ų | 90 | 74.1 Ų | 74.1 | 46% | 0.462 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 146.2 | 169.5 | -60.1 | 175.5 | 0 | 0 | 0 | 108.1 | V113 E114 F142 D143 | V113-I124 WeakPolarHBondContact O-CA 3.27Å; E114-I124 HydrophobicContact CG-CG1 4.48Å; I124-F142 WeakPolarHBondContact O-CA 3.14Å; I124-D143 PolarHBondContact O-N 3.03Å |
| 125 | G | 96.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161 | -177.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | H112 V113 K141 | H112-G125 CarbonylContact C-O 2.97Å; H112-G125 VanDerWaalsContact CA-O 3.23Å; H112-G125 WeakPolarHBondContact CA-O 3.42Å; V113-G125 WeakPolarHBondContact CG2-O 3.45Å; V113-G125 PolarHBondContact N-O 3.03Å; V113-G125 PolarHBondContact O-N 3.27Å; G125-K141 CarbonylContact C-O 3.6Å; G125-K141 WeakPolarHBondContact CA-O 3.17Å |
| 126 | M | 96.9 | Very high | 92.2 | Very high | 76 Ų | 76 | 69.6 Ų | 69.6 | 37% | 0.374 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 142 | -179.7 | -179 | 168.8 | 54.7 | 0 | 0 | 111.1 | K111 I128 I140 K141 | K111-M126 WeakPolarHBondContact O-CA 3.34Å; M126-I128 HydrophobicContact CE-CG2 4.21Å; M126-I128 HydrophobicContact CG-CG2 4.43Å; M126-I128 PolarHBondContact O-N 2.85Å; M126-I140 WeakPolarHBondContact O-CA 3.42Å; M126-K141 PolarHBondContact N-O 3Å; M126-K141 PolarHBondContact O-N 2.93Å |
| 127 | V | 96.1 | Very high | 92.1 | Very high | 1 Ų | 1 | 66.8 Ų | 66.8 | 1% | 0.006 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 118.8 | 169.7 | -168.5 | 0 | 0 | 0 | 0 | 108.9 | L108 I109 G110 K111 V113 Y138 I140 | L108-V127 HydrophobicContact CB-CG1 4.48Å; L108-V127 HydrophobicContact CB-CG2 4.39Å; L108-V127 WeakPolarHBondContact O-CB 3.01Å; I109-V127 HydrophobicContact CD1-CG1 4.05Å; G110-V127 PolarHBondContact N-O 2.56Å; K111-V127 PolarHBondContact O-N 2.92Å; K111-V127 VanDerWaalsContact O-N 3.1Å; V113-V127 HydrophobicContact CG1-CG2 3.66Å; V113-V127 HydrophobicContact CG2-CG2 4.49Å; V127-Y138 HydrophobicContact CG1-CD1 3.73Å; V127-Y138 HydrophobicContact CG1-CG 4.15Å; V127-I140 HydrophobicContact CG2-CG1 4.35Å |
| 128 | I | 95.3 | Very high | 92.3 | Very high | 67 Ų | 67 | 63.3 Ų | 63.3 | 34% | 0.344 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | -19.9 | -171.7 | 58.9 | 165.6 | 0 | 0 | 0 | 114.1 | M126 F139 K141 I148 | M126-I128 HydrophobicContact CE-CG2 4.21Å; M126-I128 HydrophobicContact CG-CG2 4.43Å; M126-I128 PolarHBondContact O-N 2.85Å; I128-F139 HydrophobicContact CD1-CB 4.37Å; I128-F139 HydrophobicContact CG1-CB 3.89Å; I128-F139 WeakPolarHBondContact CG1-O 3.36Å; I128-F139 PolarHBondContact N-O 3.45Å; I128-K141 HydrophobicContact CD1-CB 4.29Å; I128-K141 HydrophobicContact CG2-CB 4.15Å; I128-I148 HydrophobicContact CD1-CD1 3.99Å; I128-I148 HydrophobicContact CD1-CG1 4.08Å; I128-I148 HydrophobicContact CD1-CG2 4.15Å |
| 129 | H | 92.6 | Very high | 92.4 | Very high | 67 Ų | 67 | 55 Ų | 55 | 31% | 0.31 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 155.2 | 179.8 | -169.5 | 76.8 | 0 | 0 | 0 | 111.7 | I109 Y138 F139 | I109-H129 VanDerWaalsContact CD1-C 3.49Å; H129-Y138 VanDerWaalsContact O-CA 3.31Å; H129-Y138 WeakPolarHBondContact O-CA 3.37Å; H129-F139 HydrophobicContact CB-CB 3.94Å; H129-F139 HydrophobicContact CB-CD2 3.63Å; H129-F139 HydrophobicContact CB-CE2 4.41Å; H129-F139 HydrophobicContact CB-CG 4.03Å; H129-F139 AromaticContact CD2-CD2 3.72Å; H129-F139 AromaticContact CD2-CE2 3.64Å; H129-F139 AromaticContact CG-CD2 3.96Å; H129-F139 PolarHBondContact O-N 2.91Å |
| 130 | Q | 91.8 | Very high | 92.5 | Very high | 30 Ų | 30 | 50.2 Ų | 50.2 | 14% | 0.14 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 127.7 | 173.4 | 177.2 | 176.5 | 33.9 | 0 | 0 | 107.7 | I109 E132 P135 Y138 | I109-Q130 HydrophobicContact CD1-CB 3.95Å; Q130-E132 PolarHBondContact O-N 2.79Å; Q130-P135 HydrophobicContact CG-CB 4.5Å; Q130-P135 PolarHBondContact NE2-O 3.36Å; Q130-Y138 HydrophobicContact CB-CD1 3.77Å; Q130-Y138 HydrophobicContact CB-CE1 3.68Å; Q130-Y138 HydrophobicContact CG-CD1 4.02Å; Q130-Y138 HydrophobicContact CG-CE1 3.56Å; Q130-Y138 PolarHBondContact NE2-OH 3.05Å |
| 131 | V | 89.3 | Confident | 92.7 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.252 | C | S | . | . | trans | -74.7 | 115.2 | -174.1 | 175.4 | 0 | 0 | 0 | 0 | 110.5 | L73 T133 K134 V137 F139 | L73-V131 HydrophobicContact CB-CG1 4.26Å; L73-V131 HydrophobicContact CB-CG2 4.08Å; L73-V131 HydrophobicContact CD2-CG1 4.21Å; L73-V131 WeakPolarHBondContact O-CG1 3.45Å; V131-T133 VanDerWaalsContact C-N 3.33Å; V131-T133 PolarHBondContact O-N 2.92Å; V131-K134 CarbonylContact O-C 3.56Å; V131-K134 PolarHBondContact O-N 3Å; V131-K134 VanDerWaalsContact O-O 3.13Å; V131-V137 HydrophobicContact CB-CB 4.25Å; V131-V137 HydrophobicContact CB-CG1 4.41Å; V131-V137 HydrophobicContact CG2-CB 4.17Å; V131-V137 HydrophobicContact CG2-CG1 3.8Å; V131-V137 PolarHBondContact N-O 3.32Å; V131-F139 HydrophobicContact CG2-CD1 4.28Å; V131-F139 HydrophobicContact CG2-CE1 3.59Å; V131-F139 HydrophobicContact CG2-CZ 3.91Å | ||
| 132 | E | 85.2 | Confident | 92.9 | Very high | 172 Ų | 172 | 48 Ų | 48 | 80% | 0.804 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -45.2 | -175.5 | -61.1 | -174.6 | 162.8 | 0 | 0 | 113.3 | Q130 K134 | Q130-E132 PolarHBondContact O-N 2.79Å; E132-K134 VanDerWaalsContact C-N 3.26Å; E132-K134 PolarHBondContact O-N 3.35Å |
| 133 | T | 83.4 | Confident | 92.9 | Very high | 53 Ų | 53 | 47.4 Ų | 47.4 | 33% | 0.325 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -8.6 | -179.1 | 61.2 | 0 | 0 | 0 | 0 | 114.1 | V50 G51 V131 | V50-T133 HydrophobicContact CB-CG2 4.14Å; V50-T133 HydrophobicContact CG1-CG2 3.67Å; G51-T133 WeakPolarHBondContact CA-OG1 3.38Å; G51-T133 PolarHBondContact N-OG1 2.76Å; V131-T133 VanDerWaalsContact C-N 3.33Å; V131-T133 PolarHBondContact O-N 2.92Å |
| 134 | K | 87.9 | Confident | 92.9 | Very high | 87 Ų | 87 | 50.7 Ų | 50.7 | 38% | 0.378 | 26% | 0.261 | S | S | . | . | trans | -151.8 | 83.4 | 174 | -171.2 | 178.3 | 167.1 | -168.4 | 0 | 109.9 | V131 E132 S136 V137 D152 | V131-K134 CarbonylContact O-C 3.56Å; V131-K134 PolarHBondContact O-N 3Å; V131-K134 VanDerWaalsContact O-O 3.13Å; E132-K134 VanDerWaalsContact C-N 3.26Å; E132-K134 PolarHBondContact O-N 3.35Å; K134-S136 WeakPolarHBondContact CE-OG 3.42Å; K134-S136 PolarHBondContact O-N 2.86Å; K134-V137 HydrophobicContact CB-CG2 4.47Å; K134-V137 HydrophobicContact CD-CG2 3.6Å; K134-V137 HydrophobicContact CG-CG2 4Å; K134-V137 PolarHBondContact O-N 2.82Å; K134-D152 VanDerWaalsContact NZ-CG 3.32Å; K134-D152 IonicContact NZ-OD1 4Å; K134-D152 PolarHBondContact NZ-OD1 3.02Å; K134-D152 IonicContact NZ-OD2 3.33Å; K134-D152 PolarHBondContact NZ-OD2 3.09Å | ||
| 135 | P | 87.3 | Confident | 92.9 | Very high | 75 Ų | 75 | 48 Ų | 48 | 49% | 0.487 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -9.6 | -172.2 | -28.3 | 37.2 | 0 | 0 | 0 | 116.7 | Q130 V137 Y138 | Q130-P135 HydrophobicContact CG-CB 4.5Å; Q130-P135 PolarHBondContact NE2-O 3.36Å; P135-V137 VanDerWaalsContact C-N 3.3Å; P135-Y138 WeakPolarHBondContact O-CE2 3.12Å; P135-Y138 PolarHBondContact O-OH 3.48Å |
| 136 | S | 88.9 | Confident | 92.8 | Very high | 41 Ų | 41 | 57.6 Ų | 57.6 | 29% | 0.287 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | -12.6 | 169.6 | 67.4 | 0 | 0 | 0 | 0 | 113.5 | K134 Y138 D152 L153 | K134-S136 WeakPolarHBondContact CE-OG 3.42Å; K134-S136 PolarHBondContact O-N 2.86Å; S136-Y138 VanDerWaalsContact O-CD2 3.27Å; S136-Y138 WeakPolarHBondContact O-CD2 3.41Å; S136-Y138 WeakPolarHBondContact O-CE2 3.43Å; S136-D152 VanDerWaalsContact CB-OD1 3.3Å; S136-D152 WeakPolarHBondContact CB-OD1 3.4Å; S136-D152 CarbonylContact O-C 3.49Å; S136-D152 PolarHBondContact OG-OD1 3.27Å; S136-L153 PolarHBondContact O-N 3.2Å |
| 137 | V | 91.9 | Very high | 92.8 | Very high | 8 Ų | 8 | 59.8 Ų | 59.8 | 5% | 0.048 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 130.9 | -179.4 | 176.4 | 0 | 0 | 0 | 0 | 110.9 | L73 V131 K134 P135 V150 Y151 D152 | L73-V137 HydrophobicContact CD1-CG1 4.32Å; V131-V137 HydrophobicContact CB-CB 4.25Å; V131-V137 HydrophobicContact CB-CG1 4.41Å; V131-V137 HydrophobicContact CG2-CB 4.17Å; V131-V137 HydrophobicContact CG2-CG1 3.8Å; V131-V137 PolarHBondContact N-O 3.32Å; K134-V137 HydrophobicContact CB-CG2 4.47Å; K134-V137 HydrophobicContact CD-CG2 3.6Å; K134-V137 HydrophobicContact CG-CG2 4Å; K134-V137 PolarHBondContact O-N 2.82Å; P135-V137 VanDerWaalsContact C-N 3.3Å; V137-V150 HydrophobicContact CG1-CG1 3.44Å; V137-V150 VanDerWaalsContact CG1-CG1 3.44Å; V137-Y151 CarbonylContact C-O 3.57Å; V137-Y151 VanDerWaalsContact CA-O 3.31Å; V137-Y151 WeakPolarHBondContact CA-O 3.45Å; V137-D152 HydrophobicContact CG2-CB 4.14Å |
| 138 | Y | 93.7 | Very high | 92.8 | Very high | 4 Ų | 4 | 64.5 Ų | 64.5 | 2% | 0.016 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 151.3 | -176.6 | -61.4 | -93.5 | 0 | 0 | 0 | 111.5 | D106 L108 I109 V127 H129 Q130 P135 S136 V150 Y151 L153 | D106-Y138 WeakPolarHBondContact CB-OH 3.15Å; D106-Y138 PolarHBondContact OD2-OH 3.04Å; D106-Y138 VanDerWaalsContact OD2-OH 3.11Å; L108-Y138 HydrophobicContact CB-CE1 4.33Å; L108-Y138 HydrophobicContact CD1-CE1 4.12Å; L108-Y138 HydrophobicContact CD1-CE2 4.2Å; I109-Y138 HydrophobicContact CD1-CD1 4.44Å; V127-Y138 HydrophobicContact CG1-CD1 3.73Å; V127-Y138 HydrophobicContact CG1-CG 4.15Å; H129-Y138 VanDerWaalsContact O-CA 3.31Å; H129-Y138 WeakPolarHBondContact O-CA 3.37Å; Q130-Y138 HydrophobicContact CB-CD1 3.77Å; Q130-Y138 HydrophobicContact CB-CE1 3.68Å; Q130-Y138 HydrophobicContact CG-CD1 4.02Å; Q130-Y138 HydrophobicContact CG-CE1 3.56Å; Q130-Y138 PolarHBondContact NE2-OH 3.05Å; P135-Y138 WeakPolarHBondContact O-CE2 3.12Å; P135-Y138 PolarHBondContact O-OH 3.48Å; S136-Y138 VanDerWaalsContact O-CD2 3.27Å; S136-Y138 WeakPolarHBondContact O-CD2 3.41Å; S136-Y138 WeakPolarHBondContact O-CE2 3.43Å; Y138-V150 WeakPolarHBondContact O-CA 3.12Å; Y138-Y151 PolarHBondContact N-O 2.77Å; Y138-Y151 PolarHBondContact O-N 2.86Å; Y138-L153 HydrophobicContact CD2-CB 3.76Å; Y138-L153 HydrophobicContact CD2-CD1 3.55Å; Y138-L153 HydrophobicContact CD2-CG 3.65Å; Y138-L153 HydrophobicContact CE2-CB 3.84Å; Y138-L153 HydrophobicContact CE2-CD1 4.07Å; Y138-L153 HydrophobicContact CE2-CG 4.23Å; Y138-L153 HydrophobicContact CG-CD1 3.98Å; Y138-L153 HydrophobicContact CG-CG 4.43Å |
| 139 | F | 95.4 | Very high | 92.8 | Very high | 29 Ų | 29 | 64.7 Ų | 64.7 | 13% | 0.127 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 129.7 | 167.9 | -59.5 | -13.5 | 0 | 0 | 0 | 109.4 | L73 I128 H129 V131 I148 Y149 V150 | L73-F139 HydrophobicContact CB-CE1 4.16Å; L73-F139 HydrophobicContact CB-CZ 4.02Å; L73-F139 HydrophobicContact CD1-CE1 4.07Å; I128-F139 HydrophobicContact CD1-CB 4.37Å; I128-F139 HydrophobicContact CG1-CB 3.89Å; I128-F139 WeakPolarHBondContact CG1-O 3.36Å; I128-F139 PolarHBondContact N-O 3.45Å; H129-F139 HydrophobicContact CB-CB 3.94Å; H129-F139 HydrophobicContact CB-CD2 3.63Å; H129-F139 HydrophobicContact CB-CE2 4.41Å; H129-F139 HydrophobicContact CB-CG 4.03Å; H129-F139 AromaticContact CD2-CD2 3.72Å; H129-F139 AromaticContact CD2-CE2 3.64Å; H129-F139 AromaticContact CG-CD2 3.96Å; H129-F139 PolarHBondContact O-N 2.91Å; V131-F139 HydrophobicContact CG2-CD1 4.28Å; V131-F139 HydrophobicContact CG2-CE1 3.59Å; V131-F139 HydrophobicContact CG2-CZ 3.91Å; F139-I148 HydrophobicContact CB-CG2 3.68Å; F139-I148 HydrophobicContact CD2-CG2 4.42Å; F139-I148 HydrophobicContact CG-CG2 4.07Å; F139-Y149 CarbonylContact C-O 3.39Å; F139-Y149 WeakPolarHBondContact CA-O 3.34Å; F139-V150 HydrophobicContact CD1-CG2 3.91Å; F139-V150 HydrophobicContact CE1-CG1 4.44Å; F139-V150 HydrophobicContact CE1-CG2 3.94Å |
| 140 | I | 96.6 | Very high | 92.9 | Very high | 8 Ų | 8 | 65.2 Ų | 65.2 | 4% | 0.041 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 129.2 | -177.2 | -60.2 | -178 | 0 | 0 | 0 | 108.7 | V113 M126 V127 F142 Y149 Y151 L153 | V113-I140 HydrophobicContact CG2-CD1 4.33Å; V113-I140 HydrophobicContact CG2-CG2 3.67Å; M126-I140 WeakPolarHBondContact O-CA 3.42Å; V127-I140 HydrophobicContact CG2-CG1 4.35Å; I140-F142 HydrophobicContact CG2-CD1 4.5Å; I140-F142 HydrophobicContact CG2-CE1 4.18Å; I140-F142 HydrophobicContact CG2-CE2 4.28Å; I140-F142 HydrophobicContact CG2-CZ 4.06Å; I140-Y149 PolarHBondContact N-O 2.81Å; I140-Y149 PolarHBondContact O-N 2.91Å; I140-Y151 HydrophobicContact CB-CD2 4.22Å; I140-Y151 HydrophobicContact CD1-CD2 3.67Å; I140-Y151 HydrophobicContact CD1-CE2 4.37Å; I140-Y151 HydrophobicContact CD1-CG 4.2Å; I140-Y151 HydrophobicContact CG1-CD2 4.17Å; I140-L153 HydrophobicContact CD1-CD1 4.43Å |
| 141 | K | 97.5 | Very high | 93 | Very high | 46 Ų | 46 | 67.1 Ų | 67.1 | 20% | 0.2 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 115.5 | 171 | -174.5 | 77.3 | -149.9 | 72.8 | 0 | 108.2 | G125 M126 I128 D145 H147 I148 | G125-K141 CarbonylContact C-O 3.6Å; G125-K141 WeakPolarHBondContact CA-O 3.17Å; M126-K141 PolarHBondContact N-O 3Å; M126-K141 PolarHBondContact O-N 2.93Å; I128-K141 HydrophobicContact CD1-CB 4.29Å; I128-K141 HydrophobicContact CG2-CB 4.15Å; K141-D145 VanDerWaalsContact CE-O 3.28Å; K141-D145 WeakPolarHBondContact CE-O 3.29Å; K141-D145 VanDerWaalsContact NZ-C 3.34Å; K141-D145 PolarHBondContact NZ-O 3.13Å; K141-D145 IonicContact NZ-OD1 3.26Å; K141-D145 PolarHBondContact NZ-OD1 3.38Å; K141-H147 VanDerWaalsContact CD-O 3.32Å; K141-H147 WeakPolarHBondContact CD-O 3.49Å; K141-H147 VanDerWaalsContact CE-O 3.29Å; K141-H147 WeakPolarHBondContact CE-O 3.1Å; K141-H147 PolarHBondContact NZ-O 2.83Å; K141-I148 HydrophobicContact CD-CG1 4.35Å |
| 142 | F | 97.1 | Very high | 93.1 | Very high | 3 Ų | 3 | 71 Ų | 71 | 1% | 0.013 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 150.4 | 167.4 | -64.7 | -70.7 | 0 | 0 | 0 | 110.8 | Y115 R123 I124 I140 D144 Y149 Y151 | Y115-F142 HydrophobicContact CG-CZ 4.32Å; R123-F142 HydrophobicContact CB-CD1 3.78Å; R123-F142 HydrophobicContact CB-CE1 4.17Å; R123-F142 HydrophobicContact CB-CG 4.28Å; I124-F142 WeakPolarHBondContact O-CA 3.14Å; I140-F142 HydrophobicContact CG2-CD1 4.5Å; I140-F142 HydrophobicContact CG2-CE1 4.18Å; I140-F142 HydrophobicContact CG2-CE2 4.28Å; I140-F142 HydrophobicContact CG2-CZ 4.06Å; F142-D144 VanDerWaalsContact C-N 3.33Å; F142-D144 WeakPolarHBondContact CB-OD1 3.42Å; F142-D144 PolarHBondContact O-N 2.81Å; F142-Y149 AromaticContact CD2-CD2 3.55Å; F142-Y149 HydrophobicContact CD2-CD2 3.55Å; F142-Y149 AromaticContact CD2-CE2 3.7Å; F142-Y149 HydrophobicContact CD2-CE2 3.7Å; F142-Y149 HydrophobicContact CD2-CG 4.17Å; F142-Y149 AromaticContact CE2-CD2 3.95Å; F142-Y149 HydrophobicContact CE2-CD2 3.95Å; F142-Y149 HydrophobicContact CE2-CE2 4.33Å; F142-Y149 HydrophobicContact CE2-CG 4.09Å; F142-Y151 AromaticContact CE2-CE2 3.91Å; F142-Y151 HydrophobicContact CE2-CE2 3.91Å; F142-Y151 HydrophobicContact CZ-CE2 4.15Å |
| 143 | D | 95.9 | Very high | 93.3 | Very high | 112 Ų | 112 | 65.9 Ų | 65.9 | 60% | 0.599 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -16.8 | -170 | -55.4 | -32.4 | 0 | 0 | 0 | 113.5 | I124 | I124-D143 PolarHBondContact O-N 3.03Š|
| 144 | D | 95.2 | Very high | 93.4 | Very high | 96 Ų | 96 | 68.5 Ų | 68.5 | 51% | 0.513 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | 8.1 | -173.8 | 62.4 | -31.6 | 0 | 0 | 0 | 114.6 | R123 F142 | R123-D144 IonicContact CZ-OD1 3.17Å; R123-D144 IonicContact CZ-OD2 3.59Å; R123-D144 VanDerWaalsContact NE-CG 3.27Å; R123-D144 IonicContact NE-OD1 2.8Å; R123-D144 PolarHBondContact NE-OD1 2.99Å; R123-D144 IonicContact NE-OD2 2.93Å; R123-D144 PolarHBondContact NE-OD2 2.84Å; R123-D144 IonicContact NH2-OD1 2.71Å; R123-D144 PolarHBondContact NH2-OD1 3.1Å; R123-D144 IonicContact NH2-OD2 3.54Å; F142-D144 VanDerWaalsContact C-N 3.33Å; F142-D144 WeakPolarHBondContact CB-OD1 3.42Å; F142-D144 PolarHBondContact O-N 2.81Å |
| 145 | D | 95.8 | Very high | 92.9 | Very high | 32 Ų | 32 | 73.1 Ų | 73.1 | 17% | 0.171 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -151.6 | -169.5 | 170.3 | 73.6 | 26.7 | 0 | 0 | 0 | 113.6 | R123 K141 H147 Y149 | R123-D145 IonicContact CZ-OD2 3.7Å; R123-D145 IonicContact NH1-OD2 3.74Å; R123-D145 IonicContact NH2-OD1 3.9Å; R123-D145 IonicContact NH2-OD2 2.76Å; R123-D145 PolarHBondContact NH2-OD2 2.88Å; K141-D145 VanDerWaalsContact CE-O 3.28Å; K141-D145 WeakPolarHBondContact CE-O 3.29Å; K141-D145 VanDerWaalsContact NZ-C 3.34Å; K141-D145 PolarHBondContact NZ-O 3.13Å; K141-D145 IonicContact NZ-OD1 3.26Å; K141-D145 PolarHBondContact NZ-OD1 3.38Å; D145-H147 PolarHBondContact OD1-N 2.86Å; D145-H147 IonicContact OD1-ND1 3.49Å; D145-H147 IonicContact OD2-ND1 2.63Å; D145-H147 PolarHBondContact OD2-ND1 2.89Å; D145-Y149 VanDerWaalsContact OD2-CE2 3.31Å; D145-Y149 WeakPolarHBondContact OD2-CE2 3.11Å; D145-Y149 PolarHBondContact OD2-OH 2.88Å |
| 146 | F | 95.4 | Very high | 92.4 | Very high | 203 Ų | 203 | 78.9 Ų | 78.9 | 89% | 0.89 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -107.7 | 1 | 177.2 | -55.6 | -73.4 | 0 | 0 | 0 | 114.6 | ||
| 147 | H | 96.1 | Very high | 91.1 | Very high | 121 Ų | 121 | 86 Ų | 86 | 56% | 0.56 | 44% | 0.435 | S | S | * | . | P | Polyproline II helix | trans | -82.9 | 148.4 | -176.4 | -56.5 | 111.5 | 0 | 0 | 0 | 112.6 | K141 D145 Y149 | K141-H147 VanDerWaalsContact CD-O 3.32Å; K141-H147 WeakPolarHBondContact CD-O 3.49Å; K141-H147 VanDerWaalsContact CE-O 3.29Å; K141-H147 WeakPolarHBondContact CE-O 3.1Å; K141-H147 PolarHBondContact NZ-O 2.83Å; D145-H147 PolarHBondContact OD1-N 2.86Å; D145-H147 IonicContact OD1-ND1 3.49Å; D145-H147 IonicContact OD2-ND1 2.63Å; D145-H147 PolarHBondContact OD2-ND1 2.89Å; H147-Y149 HydrophobicContact CB-CD2 4.27Å; H147-Y149 HydrophobicContact CB-CE2 3.81Å |
| 148 | I | 96 | Very high | 91.1 | Very high | 101 Ų | 101 | 89.9 Ų | 89.9 | 52% | 0.518 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 123 | 164.4 | -62.6 | 175 | 0 | 0 | 0 | 107.4 | I128 F139 K141 | I128-I148 HydrophobicContact CD1-CD1 3.99Å; I128-I148 HydrophobicContact CD1-CG1 4.08Å; I128-I148 HydrophobicContact CD1-CG2 4.15Å; F139-I148 HydrophobicContact CB-CG2 3.68Å; F139-I148 HydrophobicContact CD2-CG2 4.42Å; F139-I148 HydrophobicContact CG-CG2 4.07Å; K141-I148 HydrophobicContact CD-CG1 4.35Å |
| 149 | Y | 95.7 | Very high | 91 | Very high | 70 Ų | 70 | 94.4 Ų | 94.4 | 28% | 0.275 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 142.7 | 178.7 | -70.9 | -97 | 0 | 0 | 0 | 111.1 | R123 F139 I140 F142 D145 H147 Y151 | R123-Y149 PolarHBondContact NH1-OH 3.07Å; F139-Y149 CarbonylContact C-O 3.39Å; F139-Y149 WeakPolarHBondContact CA-O 3.34Å; I140-Y149 PolarHBondContact N-O 2.81Å; I140-Y149 PolarHBondContact O-N 2.91Å; F142-Y149 AromaticContact CD2-CD2 3.55Å; F142-Y149 HydrophobicContact CD2-CD2 3.55Å; F142-Y149 AromaticContact CD2-CE2 3.7Å; F142-Y149 HydrophobicContact CD2-CE2 3.7Å; F142-Y149 HydrophobicContact CD2-CG 4.17Å; F142-Y149 AromaticContact CE2-CD2 3.95Å; F142-Y149 HydrophobicContact CE2-CD2 3.95Å; F142-Y149 HydrophobicContact CE2-CE2 4.33Å; F142-Y149 HydrophobicContact CE2-CG 4.09Å; D145-Y149 VanDerWaalsContact OD2-CE2 3.31Å; D145-Y149 WeakPolarHBondContact OD2-CE2 3.11Å; D145-Y149 PolarHBondContact OD2-OH 2.88Å; H147-Y149 HydrophobicContact CB-CD2 4.27Å; H147-Y149 HydrophobicContact CB-CE2 3.81Å; Y149-Y151 VanDerWaalsContact CB-CE2 3.45Å; Y149-Y151 HydrophobicContact CD1-CE2 4.38Å; Y149-Y151 HydrophobicContact CG-CE2 4.16Å |
| 150 | V | 95.1 | Very high | 90.7 | Very high | 78 Ų | 78 | 98.1 Ų | 98.1 | 47% | 0.473 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 120.9 | 177.5 | -177.9 | 0 | 0 | 0 | 0 | 109.2 | L73 V137 Y138 F139 | L73-V150 HydrophobicContact CD1-CB 4.45Å; L73-V150 HydrophobicContact CD1-CG1 3.5Å; L73-V150 HydrophobicContact CD1-CG2 4.14Å; V137-V150 HydrophobicContact CG1-CG1 3.44Å; V137-V150 VanDerWaalsContact CG1-CG1 3.44Å; Y138-V150 WeakPolarHBondContact O-CA 3.12Å; F139-V150 HydrophobicContact CD1-CG2 3.91Å; F139-V150 HydrophobicContact CE1-CG1 4.44Å; F139-V150 HydrophobicContact CE1-CG2 3.94Å |
| 151 | Y | 93.4 | Very high | 90.4 | Very high | 71 Ų | 71 | 103.4 Ų | 103.4 | 28% | 0.278 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 138.7 | 179.6 | -75 | -85.7 | 0 | 0 | 0 | 112.3 | V137 Y138 I140 F142 Y149 | V137-Y151 CarbonylContact C-O 3.57Å; V137-Y151 VanDerWaalsContact CA-O 3.31Å; V137-Y151 WeakPolarHBondContact CA-O 3.45Å; Y138-Y151 PolarHBondContact N-O 2.77Å; Y138-Y151 PolarHBondContact O-N 2.86Å; I140-Y151 HydrophobicContact CB-CD2 4.22Å; I140-Y151 HydrophobicContact CD1-CD2 3.67Å; I140-Y151 HydrophobicContact CD1-CE2 4.37Å; I140-Y151 HydrophobicContact CD1-CG 4.2Å; I140-Y151 HydrophobicContact CG1-CD2 4.17Å; F142-Y151 AromaticContact CE2-CE2 3.91Å; F142-Y151 HydrophobicContact CE2-CE2 3.91Å; F142-Y151 HydrophobicContact CZ-CE2 4.15Å; Y149-Y151 VanDerWaalsContact CB-CE2 3.45Å; Y149-Y151 HydrophobicContact CD1-CE2 4.38Å; Y149-Y151 HydrophobicContact CG-CE2 4.16Å |
| 152 | D | 92 | Very high | 89.9 | Confident | 80 Ų | 80 | 106.9 Ų | 106.9 | 43% | 0.428 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 93.5 | 171.6 | -158.1 | 1.6 | 0 | 0 | 0 | 108.8 | K134 S136 V137 V154 | K134-D152 VanDerWaalsContact NZ-CG 3.32Å; K134-D152 IonicContact NZ-OD1 4Å; K134-D152 PolarHBondContact NZ-OD1 3.02Å; K134-D152 IonicContact NZ-OD2 3.33Å; K134-D152 PolarHBondContact NZ-OD2 3.09Å; S136-D152 VanDerWaalsContact CB-OD1 3.3Å; S136-D152 WeakPolarHBondContact CB-OD1 3.4Å; S136-D152 CarbonylContact O-C 3.49Å; S136-D152 PolarHBondContact OG-OD1 3.27Å; V137-D152 HydrophobicContact CG2-CB 4.14Å; D152-V154 PolarHBondContact O-N 2.74Å |
| 153 | L | 88.9 | Confident | 89.4 | Confident | 66 Ų | 66 | 113.9 Ų | 113.9 | 35% | 0.346 | 58% | 0.579 | S | S | . | * | trans | -83.9 | 78.2 | -174 | -60 | -174.4 | 0 | 0 | 0 | 110.8 | L108 S136 Y138 I140 K155 | L108-L153 HydrophobicContact CD1-CD1 4.09Å; S136-L153 PolarHBondContact O-N 3.2Å; Y138-L153 HydrophobicContact CD2-CB 3.76Å; Y138-L153 HydrophobicContact CD2-CD1 3.55Å; Y138-L153 HydrophobicContact CD2-CG 3.65Å; Y138-L153 HydrophobicContact CE2-CB 3.84Å; Y138-L153 HydrophobicContact CE2-CD1 4.07Å; Y138-L153 HydrophobicContact CE2-CG 4.23Å; Y138-L153 HydrophobicContact CG-CD1 3.98Å; Y138-L153 HydrophobicContact CG-CG 4.43Å; I140-L153 HydrophobicContact CD1-CD1 4.43Å; L153-K155 PolarHBondContact O-N 3.14Å | ||
| 154 | V | 85 | Confident | 89 | Confident | 107 Ų | 107 | 114 Ų | 114 | 65% | 0.648 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 119.1 | 174.5 | -174.7 | 0 | 0 | 0 | 0 | 110.1 | D152 K156 | D152-V154 PolarHBondContact O-N 2.74Å; V154-K156 PolarHBondContact O-N 3.32Å |
| 155 | K | 78.5 | Confident | 88.5 | Confident | 185 Ų | 185 | 115.4 Ų | 115.4 | 80% | 0.804 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 120.4 | 172.4 | -177 | 177.3 | 179.8 | -179.4 | 0 | 110 | L153 | L153-K155 PolarHBondContact O-N 3.14Š|
| 156 | K | 76.2 | Confident | 87.9 | Confident | 196 Ų | 196 | 122.3 Ų | 122.3 | 85% | 0.852 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 136.8 | 168.1 | -63.4 | -179.3 | -178.9 | 178.3 | 0 | 109.3 | V154 | V154-K156 PolarHBondContact O-N 3.32Š|
| 157 | S | 62.5 | Low | 87.2 | Confident | 190 Ų | 190 | 115 Ų | 115 | 100% | 1.329 | 59% | 0.592 | S | S | * | * | trans | -98.7 | 0 | 170.4 | -60.6 | 0 | 0 | 0 | 0 | 110.5 |
Retrieved 157 of 157 residues in 260.8 ms
(Link to these results)