| 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 | 40.3 | Very low | 42.8 | Very low | 247 Ų | 247 | 128.1 Ų | 128.1 | 100% | 1.217 | 80% | 0.803 | S | S | * | * | 0 | 109.7 | 0 | -66.9 | 163.3 | 101.6 | 0 | 0 | 106.2 | |||||
| 2 | G | 36.3 | Very low | 43.1 | Very low | 73 Ų | 73 | 131.1 Ų | 131.1 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | trans | -75.5 | -150.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 3 | P | 57.4 | Low | 42.5 | Very low | 113 Ų | 113 | 134.4 Ų | 134.4 | 73% | 0.734 | 82% | 0.815 | S | S | * | * | cis | -128.9 | -174.5 | -9.1 | 23.4 | 3.2 | 0 | 0 | 0 | 110.4 | ||||
| 4 | L | 42 | Very low | 42.1 | Very low | 136 Ų | 136 | 139.3 Ų | 139.3 | 71% | 0.712 | 82% | 0.821 | S | S | * | * | -178.7 | 123.5 | 69.2 | -80.3 | 158.6 | 0 | 0 | 0 | 107.4 | |||||
| 5 | L | 41.4 | Very low | 42.9 | Very low | 156 Ų | 156 | 137.2 Ų | 137.2 | 82% | 0.817 | 81% | 0.813 | S | S | * | * | 65.4 | 134.7 | 99.9 | -62.2 | 178.1 | 0 | 0 | 0 | 113.8 | |||||
| 6 | S | 40.4 | Very low | 42.5 | Very low | 104 Ų | 104 | 140 Ų | 140 | 73% | 0.727 | 82% | 0.822 | S | S | * | * | cis | -171.3 | 146.2 | 29.7 | -160.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 7 | A | 44.4 | Very low | 42.6 | Very low | 91 Ų | 91 | 141.5 Ų | 141.5 | 75% | 0.752 | 82% | 0.824 | S | S | * | * | trans | 55.7 | 145.6 | 133.9 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 8 | A | 45.3 | Very low | 42.4 | Very low | 85 Ų | 85 | 139 Ų | 139 | 70% | 0.702 | 82% | 0.823 | S | S | * | * | cis | -175.8 | 159.3 | -9.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 9 | S | 40.5 | Very low | 42.1 | Very low | 110 Ų | 110 | 139.9 Ų | 139.9 | 77% | 0.769 | 82% | 0.822 | S | S | * | * | trans | 60.3 | 138.5 | 138.9 | -75.8 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 10 | V | 43.8 | Very low | 42.1 | Very low | 132 Ų | 132 | 138.1 Ų | 138.1 | 80% | 0.8 | 82% | 0.817 | S | S | * | * | -157 | 137.8 | 54.5 | 172.6 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 11 | L | 39.1 | Very low | 41.9 | Very low | 162 Ų | 162 | 138.7 Ų | 138.7 | 85% | 0.848 | 82% | 0.822 | S | S | * | * | trans | -7.7 | 142.6 | 159.4 | -66.3 | 145.4 | 0 | 0 | 0 | 124 | ||||
| 12 | L | 45.8 | Very low | 41.8 | Very low | 164 Ų | 164 | 130.8 Ų | 130.8 | 86% | 0.859 | 80% | 0.796 | S | S | * | * | trans | -62.4 | 154.1 | 159.5 | -67.8 | 159.7 | 0 | 0 | 0 | 113.5 | ||||
| 13 | L | 35.8 | Very low | 42 | Very low | 174 Ų | 174 | 132.7 Ų | 132.7 | 91% | 0.911 | 80% | 0.798 | S | S | * | * | trans | -169.7 | 120.9 | 148.1 | -98.6 | 158.7 | 0 | 0 | 0 | 112 | ||||
| 14 | F | 36.8 | Very low | 41.5 | Very low | 203 Ų | 203 | 133.1 Ų | 133.1 | 89% | 0.89 | 80% | 0.8 | S | S | * | * | trans | -113.9 | 175.6 | 154.9 | -91.9 | -80.3 | 0 | 0 | 0 | 106.5 | ||||
| 15 | P | 54.7 | Low | 41.6 | Very low | 108 Ų | 108 | 131.2 Ų | 131.2 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | cis | -126.1 | -176.4 | -41.2 | 35.3 | -18.1 | 0 | 0 | 0 | 110.8 | ||||
| 16 | L | 36.4 | Very low | 41.4 | Very low | 182 Ų | 182 | 130.5 Ų | 130.5 | 95% | 0.953 | 81% | 0.807 | S | S | * | * | trans | -163.2 | 137 | 153.1 | -105.8 | 155.6 | 0 | 0 | 0 | 113.2 | ||||
| 17 | L | 43.2 | Very low | 41.6 | Very low | 166 Ų | 166 | 132.3 Ų | 132.3 | 87% | 0.869 | 81% | 0.813 | S | S | * | * | trans | -91.5 | 142.6 | -175.1 | -145.7 | 99.2 | 0 | 0 | 0 | 110.7 | ||||
| 18 | A | 38.7 | Very low | 41.6 | Very low | 96 Ų | 96 | 131.3 Ų | 131.3 | 79% | 0.793 | 81% | 0.812 | S | S | * | * | trans | -158.9 | 111 | 156.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 19 | L | 38.3 | Very low | 41.4 | Very low | 156 Ų | 156 | 133 Ų | 133 | 82% | 0.817 | 81% | 0.809 | S | S | * | * | trans | 20.8 | 120.1 | 145.3 | -68.1 | 122.2 | 0 | 0 | 0 | 123.6 | ||||
| 20 | S | 42.3 | Very low | 41.8 | Very low | 103 Ų | 103 | 132.8 Ų | 132.8 | 72% | 0.72 | 81% | 0.805 | S | S | * | * | trans | 20 | 129.4 | 130.1 | 61.6 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 21 | V | 36.2 | Very low | 42 | Very low | 151 Ų | 151 | 133.8 Ų | 133.8 | 92% | 0.915 | 80% | 0.801 | S | S | * | * | trans | -135.7 | 130.7 | 141.1 | -168.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 22 | A | 39.3 | Very low | 42.2 | Very low | 81 Ų | 81 | 132.6 Ų | 132.6 | 67% | 0.669 | 80% | 0.795 | S | S | * | * | trans | -103.6 | 148.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 23 | S | 41.1 | Very low | 42.4 | Very low | 114 Ų | 114 | 134 Ų | 134 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | trans | 78.9 | 148.1 | 146.1 | -61.6 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 24 | P | 46.7 | Very low | 43.2 | Very low | 121 Ų | 121 | 131 Ų | 131 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | cis | -127.1 | 156.3 | 39.8 | 36 | -18.2 | 0 | 0 | 0 | 117.6 | ||||
| 25 | A | 43.7 | Very low | 43.8 | Very low | 96 Ų | 96 | 124 Ų | 124 | 79% | 0.793 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 134.2 | 165.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 26 | T | 37.7 | Very low | 43.5 | Very low | 141 Ų | 141 | 123.6 Ų | 123.6 | 87% | 0.865 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -99.3 | 132.1 | 168.8 | -44.5 | 0 | 0 | 0 | 0 | 108.6 | ||
| 27 | V | 44.5 | Very low | 44.4 | Very low | 142 Ų | 142 | 121.1 Ų | 121.1 | 86% | 0.861 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 123.8 | -178.2 | 169.8 | 0 | 0 | 0 | 0 | 110.7 | ||
| 28 | G | 44.6 | Very low | 44.8 | Very low | 70 Ų | 70 | 116 Ų | 116 | 72% | 0.722 | 72% | 0.716 | S | S | * | * | trans | 92.5 | 109.3 | 136.1 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 29 | N | 40.7 | Very low | 45.5 | Very low | 122 Ų | 122 | 118.2 Ų | 118.2 | 65% | 0.652 | 71% | 0.71 | S | S | * | * | trans | -144.3 | 140.7 | 134 | -138.7 | 20.1 | 0 | 0 | 0 | 110.3 | E31 | N29-E31 VanDerWaalsContact C-N 3.27Å; N29-E31 PolarHBondContact O-N 2.62Å; N29-E31 VanDerWaalsContact O-N 3.15Å | ||
| 30 | P | 49.5 | Very low | 46.3 | Very low | 104 Ų | 104 | 118.1 Ų | 118.1 | 68% | 0.675 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | 17.5 | -167.1 | -9 | 27.4 | 0 | 0 | 0 | 116 | ||
| 31 | E | 47.2 | Very low | 46.6 | Very low | 154 Ų | 154 | 117.3 Ų | 117.3 | 72% | 0.72 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.7 | -9.7 | -170 | -61.2 | -163.7 | 114.8 | 0 | 0 | 114.3 | N29 Y33 | N29-E31 VanDerWaalsContact C-N 3.27Å; N29-E31 PolarHBondContact O-N 2.62Å; N29-E31 VanDerWaalsContact O-N 3.15Å; E31-Y33 VanDerWaalsContact C-N 3.33Å; E31-Y33 PolarHBondContact O-N 3Å |
| 32 | D | 42.9 | Very low | 47.3 | Very low | 136 Ų | 136 | 113 Ų | 113 | 73% | 0.727 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | -3.9 | -178.2 | -83.8 | -26 | 0 | 0 | 0 | 114.6 | ||
| 33 | Y | 50.8 | Low | 48 | Very low | 194 Ų | 194 | 111.9 Ų | 111.9 | 76% | 0.761 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | -7.2 | 178.7 | -66.8 | -78 | 0 | 0 | 0 | 114.1 | E31 | E31-Y33 VanDerWaalsContact C-N 3.33Å; E31-Y33 PolarHBondContact O-N 3Å |
| 34 | V | 51.7 | Low | 48.5 | Very low | 110 Ų | 110 | 112.4 Ų | 112.4 | 67% | 0.667 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.4 | -18.9 | -176 | -171.9 | 0 | 0 | 0 | 0 | 112.3 | ||
| 35 | A | 49.3 | Very low | 48.8 | Very low | 57 Ų | 57 | 112.8 Ų | 112.8 | 47% | 0.471 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -78.2 | -32.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | A38 E39 | A35-A38 PolarHBondContact O-N 3.42Å; A35-E39 PolarHBondContact O-N 3.43Å; A35-E39 VanDerWaalsContact O-N 3.08Å |
| 36 | D | 49.7 | Very low | 49.5 | Very low | 99 Ų | 99 | 113.7 Ų | 113.7 | 53% | 0.529 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -74 | -28.1 | -176.6 | -134.1 | -30.1 | 0 | 0 | 0 | 112.7 | R40 | D36-R40 VanDerWaalsContact O-CB 3.28Å; D36-R40 WeakPolarHBondContact O-CB 3.28Å; D36-R40 WeakPolarHBondContact O-CG 3.22Å; D36-R40 PolarHBondContact O-N 3.38Å |
| 37 | E | 54 | Low | 50.5 | Low | 130 Ų | 130 | 112.4 Ų | 112.4 | 61% | 0.607 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -75.1 | -30.8 | 175 | -74.7 | -100.3 | 126.1 | 0 | 0 | 112.1 | T41 | E37-T41 WeakPolarHBondContact O-CB 3.5Å; E37-T41 PolarHBondContact O-N 3.15Å; E37-T41 PolarHBondContact O-OG1 2.96Å |
| 38 | A | 52.8 | Low | 51.1 | Low | 59 Ų | 59 | 114.2 Ų | 114.2 | 49% | 0.488 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -78.8 | -34.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A35 T41 A42 | A35-A38 PolarHBondContact O-N 3.42Å; A38-T41 WeakPolarHBondContact CA-OG1 3.22Å; A38-T41 PolarHBondContact O-OG1 3.01Å; A38-A42 VanDerWaalsContact O-CB 3.23Å; A38-A42 WeakPolarHBondContact O-CB 3.32Å; A38-A42 PolarHBondContact O-N 2.71Å |
| 39 | E | 53.3 | Low | 51.9 | Low | 143 Ų | 143 | 115.8 Ų | 115.8 | 67% | 0.668 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -74.4 | -33.7 | 170.9 | -107.9 | 176.3 | 133.1 | 0 | 0 | 112.3 | A35 A42 A43 | A35-E39 PolarHBondContact O-N 3.43Å; A35-E39 VanDerWaalsContact O-N 3.08Å; E39-A42 PolarHBondContact O-N 2.8Å; E39-A43 WeakPolarHBondContact O-CB 3.16Å; E39-A43 PolarHBondContact O-N 3.08Å |
| 40 | R | 53.4 | Low | 52.8 | Low | 154 Ų | 154 | 115.2 Ų | 115.2 | 58% | 0.581 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -64.5 | -45.7 | 168.8 | -84.1 | 179.3 | 173.7 | 171.7 | 0.9 | 112.4 | D36 A42 A43 D44 | D36-R40 VanDerWaalsContact O-CB 3.28Å; D36-R40 WeakPolarHBondContact O-CB 3.28Å; D36-R40 WeakPolarHBondContact O-CG 3.22Å; D36-R40 PolarHBondContact O-N 3.38Å; R40-A42 VanDerWaalsContact C-N 3.29Å; R40-A42 PolarHBondContact O-N 3.44Å; R40-A43 PolarHBondContact O-N 2.91Å; R40-D44 VanDerWaalsContact O-CB 3.22Å; R40-D44 WeakPolarHBondContact O-CB 3.38Å; R40-D44 PolarHBondContact O-N 2.76Å |
| 41 | T | 50.3 | Low | 53.2 | Low | 85 Ų | 85 | 116.1 Ų | 116.1 | 52% | 0.521 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -70.4 | -23.3 | 176.4 | 37 | 0 | 0 | 0 | 0 | 113.5 | E37 A38 N45 | E37-T41 WeakPolarHBondContact O-CB 3.5Å; E37-T41 PolarHBondContact O-N 3.15Å; E37-T41 PolarHBondContact O-OG1 2.96Å; A38-T41 WeakPolarHBondContact CA-OG1 3.22Å; A38-T41 PolarHBondContact O-OG1 3.01Å; T41-N45 PolarHBondContact O-ND2 2.93Å |
| 42 | A | 50.7 | Low | 54 | Low | 61 Ų | 61 | 119.2 Ų | 119.2 | 50% | 0.504 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -80.4 | -35.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | A38 E39 R40 | A38-A42 VanDerWaalsContact O-CB 3.23Å; A38-A42 WeakPolarHBondContact O-CB 3.32Å; A38-A42 PolarHBondContact O-N 2.71Å; E39-A42 PolarHBondContact O-N 2.8Å; R40-A42 VanDerWaalsContact C-N 3.29Å; R40-A42 PolarHBondContact O-N 3.44Å |
| 43 | A | 52.8 | Low | 55 | Low | 57 Ų | 57 | 116.5 Ų | 116.5 | 47% | 0.471 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -72.9 | -33.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | E39 R40 N45 I46 | E39-A43 WeakPolarHBondContact O-CB 3.16Å; E39-A43 PolarHBondContact O-N 3.08Å; R40-A43 PolarHBondContact O-N 2.91Å; A43-N45 PolarHBondContact O-N 3.04Å; A43-I46 PolarHBondContact O-N 3.23Å |
| 44 | D | 53.1 | Low | 56 | Low | 126 Ų | 126 | 114.2 Ų | 114.2 | 67% | 0.674 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | -11.7 | 176.5 | -74.5 | -18.2 | 0 | 0 | 0 | 113.1 | R40 | R40-D44 VanDerWaalsContact O-CB 3.22Å; R40-D44 WeakPolarHBondContact O-CB 3.38Å; R40-D44 PolarHBondContact O-N 2.76Å |
| 45 | N | 52.5 | Low | 57.4 | Low | 128 Ų | 128 | 110.4 Ų | 110.4 | 68% | 0.684 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.4 | 4.2 | 175.6 | -74.9 | -67.2 | 0 | 0 | 0 | 113.8 | T41 A43 V47 | T41-N45 PolarHBondContact O-ND2 2.93Å; A43-N45 PolarHBondContact O-N 3.04Å; N45-V47 PolarHBondContact O-N 3.24Å |
| 46 | I | 58.7 | Low | 59.2 | Low | 115 Ų | 115 | 107.9 Ų | 107.9 | 59% | 0.59 | 57% | 0.573 | S | S | * | * | trans | -80.2 | 86.5 | 162.4 | -56 | 170.8 | 0 | 0 | 0 | 105.8 | A43 F48 | A43-I46 PolarHBondContact O-N 3.23Å; I46-F48 HydrophobicContact CG2-CD2 4.11Å; I46-F48 PolarHBondContact O-N 2.81Å | ||
| 47 | V | 59 | Low | 61 | Low | 115 Ų | 115 | 107.7 Ų | 107.7 | 70% | 0.697 | 58% | 0.575 | S | S | * | * | trans | -61.6 | 91.3 | 164.9 | 180 | 0 | 0 | 0 | 0 | 106.1 | N45 D49 | N45-V47 PolarHBondContact O-N 3.24Å; V47-D49 PolarHBondContact O-N 3.31Å | ||
| 48 | F | 55.8 | Low | 62.3 | Low | 179 Ų | 179 | 102.5 Ų | 102.5 | 79% | 0.785 | 55% | 0.552 | S | S | * | * | trans | -59.8 | 101 | 157.5 | -112 | -93.4 | 0 | 0 | 0 | 104.2 | I46 D50 | I46-F48 HydrophobicContact CG2-CD2 4.11Å; I46-F48 PolarHBondContact O-N 2.81Å; F48-D50 PolarHBondContact O-N 3.4Å | ||
| 49 | D | 61.4 | Low | 63.8 | Low | 104 Ų | 104 | 105.9 Ų | 105.9 | 56% | 0.556 | 56% | 0.562 | S | S | * | * | trans | -47.8 | 115.2 | 166.9 | -93.8 | -58.4 | 0 | 0 | 0 | 106 | V47 Y51 | V47-D49 PolarHBondContact O-N 3.31Å; D49-Y51 HydrophobicContact CB-CD2 4.21Å; D49-Y51 HydrophobicContact CB-CE2 3.81Å; D49-Y51 WeakPolarHBondContact O-CD2 3.23Å; D49-Y51 PolarHBondContact O-N 2.96Å | ||
| 50 | D | 60.2 | Low | 65.2 | Low | 109 Ų | 109 | 104.1 Ų | 104.1 | 58% | 0.583 | 57% | 0.565 | S | S | * | * | trans | -70.2 | 81.8 | -177.3 | -162.1 | 6.6 | 0 | 0 | 0 | 106.8 | F48 R52 | F48-D50 PolarHBondContact O-N 3.4Å; D50-R52 PolarHBondContact O-N 3.39Å; D50-R52 WeakPolarHBondContact OD1-CB 3.05Å | ||
| 51 | Y | 56.8 | Low | 66.6 | Low | 124 Ų | 124 | 99.2 Ų | 99.2 | 49% | 0.486 | 56% | 0.562 | S | S | . | * | trans | -62.8 | -5 | 177.8 | -73.7 | -80 | 0 | 0 | 0 | 111.5 | D49 G53 K54 | D49-Y51 HydrophobicContact CB-CD2 4.21Å; D49-Y51 HydrophobicContact CB-CE2 3.81Å; D49-Y51 WeakPolarHBondContact O-CD2 3.23Å; D49-Y51 PolarHBondContact O-N 2.96Å; Y51-G53 PolarHBondContact O-N 2.8Å; Y51-K54 PolarHBondContact O-N 3.08Å | ||
| 52 | R | 64.6 | Low | 68.3 | Low | 219 Ų | 219 | 100.5 Ų | 100.5 | 83% | 0.826 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.9 | 96.6 | 178.1 | -167.6 | 178.4 | -69.1 | -145.7 | -1.4 | 110 | D50 | D50-R52 PolarHBondContact O-N 3.39Å; D50-R52 WeakPolarHBondContact OD1-CB 3.05Å |
| 53 | G | 63.9 | Low | 70 | Confident | 79 Ų | 79 | 101.1 Ų | 101.1 | 81% | 0.814 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 87.6 | 6.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y51 | Y51-G53 PolarHBondContact O-N 2.8Š|
| 54 | K | 72 | Confident | 71.7 | Confident | 146 Ų | 146 | 99.9 Ų | 99.9 | 64% | 0.635 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -107.8 | 79.6 | 174.5 | -63.9 | -169.2 | -178.3 | -175.8 | 0 | 109.9 | Y51 | Y51-K54 PolarHBondContact O-N 3.08Š|
| 55 | G | 81 | Confident | 73.3 | Confident | 29 Ų | 29 | 99.6 Ų | 99.6 | 30% | 0.299 | 53% | 0.534 | S | S | . | . | S | Bend | trans | 155.8 | 171.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y64 | G55-Y64 CarbonylContact C-O 3.6Å; G55-Y64 WeakPolarHBondContact CA-O 3.13Å |
| 56 | C | 86.8 | Confident | 75 | Confident | 5 Ų | 5 | 97.3 Ų | 97.3 | 3% | 0.034 | 52% | 0.522 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 142.6 | 179.7 | -58.2 | 0 | 0 | 0 | 0 | 108.8 | V63 Y64 F70 C81 P86 | C56-V63 CarbonylContact O-C 3.45Å; C56-V63 WeakPolarHBondContact O-CA 3.32Å; C56-Y64 PolarHBondContact N-O 3.28Å; C56-Y64 PolarHBondContact O-N 2.78Å; C56-F70 HydrophobicContact CB-CE1 3.85Å; C56-F70 HydrophobicContact CB-CZ 3.82Å; C56-C81 HydrophobicContact CB-CB 3.8Å; C56-C81 WeakPolarHBondContact CB-SG 2.98Å; C56-C81 PolarHBondContact N-SG 3.07Å; C56-C81 WeakPolarHBondContact SG-CA 3.43Å; C56-C81 WeakPolarHBondContact SG-CB 3.49Å; C56-C81 CovalentContact SG-SG 2.05Å; C56-C81 PolarHBondContact SG-SG 3.1Å; C56-P86 HydrophobicContact CB-CB 4.46Å |
| 57 | V | 86.8 | Confident | 76.3 | Confident | 94 Ų | 94 | 94.8 Ų | 94.8 | 57% | 0.57 | 52% | 0.523 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 130.9 | 179.6 | -172.7 | 0 | 0 | 0 | 0 | 108.7 | F62 V63 | V57-F62 WeakPolarHBondContact CA-O 3.5Å; V57-V63 HydrophobicContact CG2-CG2 4.21Å |
| 58 | D | 83.2 | Confident | 77.7 | Confident | 22 Ų | 22 | 92.7 Ų | 92.7 | 12% | 0.118 | 51% | 0.506 | C | S | . | . | trans | -87.2 | 175.8 | 173.8 | 77.1 | -15.9 | 0 | 0 | 0 | 112.8 | S60 G61 F62 Y64 | D58-S60 PolarHBondContact O-N 2.88Å; D58-S60 VanDerWaalsContact O-N 3.13Å; D58-S60 WeakPolarHBondContact OD1-CA 3.32Å; D58-S60 VanDerWaalsContact OD1-CB 3.32Å; D58-S60 WeakPolarHBondContact OD1-CB 3.36Å; D58-S60 PolarHBondContact OD1-N 3.46Å; D58-S60 VanDerWaalsContact OD1-N 3.07Å; D58-S60 VanDerWaalsContact OD2-CB 3.3Å; D58-S60 WeakPolarHBondContact OD2-CB 3.38Å; D58-S60 PolarHBondContact OD2-OG 2.68Å; D58-G61 PolarHBondContact O-N 3.43Å; D58-G61 PolarHBondContact OD1-N 2.05Å; D58-F62 PolarHBondContact N-O 2.92Å; D58-F62 VanDerWaalsContact N-O 3.17Å; D58-F62 WeakPolarHBondContact OD1-CA 3Å; D58-F62 WeakPolarHBondContact OD1-CB 3.33Å; D58-F62 PolarHBondContact OD1-N 2.91Å; D58-Y64 HydrophobicContact CB-CE2 4Å | ||
| 59 | D | 82.6 | Confident | 79.2 | Confident | 130 Ų | 130 | 90.5 Ų | 90.5 | 70% | 0.695 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -18.9 | 177 | -57.9 | -33.7 | 0 | 0 | 0 | 113.2 | G61 | D59-G61 VanDerWaalsContact C-N 3.34Š|
| 60 | S | 83.4 | Confident | 80.4 | Confident | 105 Ų | 105 | 85.9 Ų | 85.9 | 73% | 0.734 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -10.4 | 176.1 | -37.8 | 0 | 0 | 0 | 0 | 112.6 | D58 | D58-S60 PolarHBondContact O-N 2.88Å; D58-S60 VanDerWaalsContact O-N 3.13Å; D58-S60 WeakPolarHBondContact OD1-CA 3.32Å; D58-S60 VanDerWaalsContact OD1-CB 3.32Å; D58-S60 WeakPolarHBondContact OD1-CB 3.36Å; D58-S60 PolarHBondContact OD1-N 3.46Å; D58-S60 VanDerWaalsContact OD1-N 3.07Å; D58-S60 VanDerWaalsContact OD2-CB 3.3Å; D58-S60 WeakPolarHBondContact OD2-CB 3.38Å; D58-S60 PolarHBondContact OD2-OG 2.68Å |
| 61 | G | 83.3 | Confident | 81.7 | Confident | 51 Ų | 51 | 86.9 Ų | 86.9 | 53% | 0.526 | 46% | 0.464 | S | S | . | . | trans | 81.6 | 12.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | D58 D59 | D58-G61 PolarHBondContact O-N 3.43Å; D58-G61 PolarHBondContact OD1-N 2.05Å; D59-G61 VanDerWaalsContact C-N 3.34Å | ||
| 62 | F | 85.8 | Confident | 82.7 | Confident | 113 Ų | 113 | 82 Ų | 82 | 50% | 0.496 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -77.3 | 137.2 | 175.2 | -168.8 | -88.2 | 0 | 0 | 0 | 110.5 | V57 D58 Y64 | V57-F62 WeakPolarHBondContact CA-O 3.5Å; D58-F62 PolarHBondContact N-O 2.92Å; D58-F62 VanDerWaalsContact N-O 3.17Å; D58-F62 WeakPolarHBondContact OD1-CA 3Å; D58-F62 WeakPolarHBondContact OD1-CB 3.33Å; D58-F62 PolarHBondContact OD1-N 2.91Å; F62-Y64 HydrophobicContact CB-CE2 4.39Å; F62-Y64 AromaticContact CD1-CD1 3.82Å; F62-Y64 HydrophobicContact CD1-CD1 3.82Å; F62-Y64 HydrophobicContact CD1-CD2 4.08Å; F62-Y64 AromaticContact CD1-CE1 3.39Å; F62-Y64 HydrophobicContact CD1-CE1 3.39Å; F62-Y64 AromaticContact CD1-CE2 3.67Å; F62-Y64 HydrophobicContact CD1-CE2 3.67Å; F62-Y64 HydrophobicContact CD1-CG 4.15Å; F62-Y64 AromaticContact CD1-CZ 3.33Å; F62-Y64 AromaticContact CE1-CD1 3.73Å; F62-Y64 HydrophobicContact CE1-CD1 3.73Å; F62-Y64 AromaticContact CE1-CE1 3.46Å; F62-Y64 HydrophobicContact CE1-CE1 3.46Å; F62-Y64 VanDerWaalsContact CE1-CE1 3.46Å; F62-Y64 HydrophobicContact CE1-CG 4.39Å; F62-Y64 AromaticContact CE1-CZ 3.92Å; F62-Y64 HydrophobicContact CG-CE2 4.49Å |
| 63 | V | 86.9 | Confident | 83 | Confident | 74 Ų | 74 | 72.8 Ų | 72.8 | 45% | 0.448 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 123.7 | -176.7 | -173.7 | 0 | 0 | 0 | 0 | 110.3 | C56 V57 | C56-V63 CarbonylContact O-C 3.45Å; C56-V63 WeakPolarHBondContact O-CA 3.32Å; V57-V63 HydrophobicContact CG2-CG2 4.21Å |
| 64 | Y | 87 | Confident | 83.2 | Confident | 31 Ų | 31 | 77.2 Ų | 77.2 | 12% | 0.122 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 139.5 | 177.6 | -61.1 | -79.1 | 0 | 0 | 0 | 111.4 | G55 C56 D58 F62 E68 F70 | G55-Y64 CarbonylContact C-O 3.6Å; G55-Y64 WeakPolarHBondContact CA-O 3.13Å; C56-Y64 PolarHBondContact N-O 3.28Å; C56-Y64 PolarHBondContact O-N 2.78Å; D58-Y64 HydrophobicContact CB-CE2 4Å; F62-Y64 HydrophobicContact CB-CE2 4.39Å; F62-Y64 AromaticContact CD1-CD1 3.82Å; F62-Y64 HydrophobicContact CD1-CD1 3.82Å; F62-Y64 HydrophobicContact CD1-CD2 4.08Å; F62-Y64 AromaticContact CD1-CE1 3.39Å; F62-Y64 HydrophobicContact CD1-CE1 3.39Å; F62-Y64 AromaticContact CD1-CE2 3.67Å; F62-Y64 HydrophobicContact CD1-CE2 3.67Å; F62-Y64 HydrophobicContact CD1-CG 4.15Å; F62-Y64 AromaticContact CD1-CZ 3.33Å; F62-Y64 AromaticContact CE1-CD1 3.73Å; F62-Y64 HydrophobicContact CE1-CD1 3.73Å; F62-Y64 AromaticContact CE1-CE1 3.46Å; F62-Y64 HydrophobicContact CE1-CE1 3.46Å; F62-Y64 VanDerWaalsContact CE1-CE1 3.46Å; F62-Y64 HydrophobicContact CE1-CG 4.39Å; F62-Y64 AromaticContact CE1-CZ 3.92Å; F62-Y64 HydrophobicContact CG-CE2 4.49Å; Y64-E68 HydrophobicContact CD1-CG 4.19Å; Y64-F70 HydrophobicContact CD1-CB 3.42Å; Y64-F70 VanDerWaalsContact CD1-CB 3.42Å; Y64-F70 HydrophobicContact CD1-CD1 4.37Å; Y64-F70 AromaticContact CD1-CG 3.95Å; Y64-F70 HydrophobicContact CD1-CG 3.95Å; Y64-F70 HydrophobicContact CD2-CB 3.91Å; Y64-F70 AromaticContact CD2-CD1 3.98Å; Y64-F70 HydrophobicContact CD2-CD1 3.98Å; Y64-F70 AromaticContact CD2-CD2 3.58Å; Y64-F70 HydrophobicContact CD2-CD2 3.58Å; Y64-F70 HydrophobicContact CD2-CE1 4.35Å; Y64-F70 AromaticContact CD2-CE2 3.97Å; Y64-F70 HydrophobicContact CD2-CE2 3.97Å; Y64-F70 AromaticContact CD2-CG 3.57Å; Y64-F70 HydrophobicContact CD2-CG 3.57Å; Y64-F70 HydrophobicContact CD2-CZ 4.33Å; Y64-F70 HydrophobicContact CE1-CB 3.2Å; Y64-F70 HydrophobicContact CE1-CD2 4.44Å; Y64-F70 HydrophobicContact CE1-CG 4Å; Y64-F70 HydrophobicContact CE2-CB 3.72Å; Y64-F70 HydrophobicContact CE2-CD1 4.47Å; Y64-F70 AromaticContact CE2-CD2 3.33Å; Y64-F70 HydrophobicContact CE2-CD2 3.33Å; Y64-F70 AromaticContact CE2-CE2 3.97Å; Y64-F70 HydrophobicContact CE2-CE2 3.97Å; Y64-F70 AromaticContact CE2-CG 3.62Å; Y64-F70 HydrophobicContact CE2-CG 3.62Å; Y64-F70 HydrophobicContact CG-CB 3.75Å; Y64-F70 AromaticContact CG-CD1 3.91Å; Y64-F70 HydrophobicContact CG-CD1 3.91Å; Y64-F70 HydrophobicContact CG-CD2 4.23Å; Y64-F70 AromaticContact CG-CG 3.72Å; Y64-F70 HydrophobicContact CG-CG 3.72Å; Y64-F70 AromaticContact CZ-CD2 3.8Å; Y64-F70 AromaticContact CZ-CG 3.82Å |
| 65 | K | 88.5 | Confident | 82.8 | Confident | 120 Ų | 120 | 72.9 Ų | 72.9 | 52% | 0.522 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -75.8 | 157.1 | 177.7 | -60.8 | -174.5 | -177.1 | -170.5 | 0 | 111.1 | G67 E68 C81 | K65-G67 PolarHBondContact O-N 3Å; K65-E68 HydrophobicContact CB-CB 4.47Å; K65-E68 PolarHBondContact N-OE2 2.76Å; K65-E68 WeakPolarHBondContact O-CB 3.28Å; K65-E68 PolarHBondContact O-N 2.95Å; K65-C81 WeakPolarHBondContact O-CB 3.16Å |
| 66 | L | 87.4 | Confident | 82.6 | Confident | 80 Ų | 80 | 75 Ų | 75 | 42% | 0.419 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | 132.8 | 172 | -65.5 | 171.8 | 0 | 0 | 0 | 110.4 | E68 T82 E83 | L66-E68 VanDerWaalsContact C-N 3.28Å; L66-E68 PolarHBondContact O-N 3.07Å; L66-T82 WeakPolarHBondContact CD2-O 3.32Å; L66-E83 HydrophobicContact CD1-CG 4.05Å; L66-E83 HydrophobicContact CD2-CG 4.2Å |
| 67 | G | 86.1 | Confident | 82.5 | Confident | 61 Ų | 61 | 75.4 Ų | 75.4 | 63% | 0.629 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.6 | -5.8 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | K65 C81 | K65-G67 PolarHBondContact O-N 3Å; G67-C81 PolarHBondContact N-O 2.88Å |
| 68 | E | 88.1 | Confident | 82.5 | Confident | 72 Ų | 72 | 71.9 Ų | 71.9 | 34% | 0.336 | 39% | 0.394 | S | S | . | . | trans | -77 | 138.3 | 178.6 | -166.6 | 172.8 | 170.3 | 0 | 0 | 111.4 | Y64 K65 L66 V80 C81 | Y64-E68 HydrophobicContact CD1-CG 4.19Å; K65-E68 HydrophobicContact CB-CB 4.47Å; K65-E68 PolarHBondContact N-OE2 2.76Å; K65-E68 WeakPolarHBondContact O-CB 3.28Å; K65-E68 PolarHBondContact O-N 2.95Å; L66-E68 VanDerWaalsContact C-N 3.28Å; L66-E68 PolarHBondContact O-N 3.07Å; E68-V80 WeakPolarHBondContact O-CA 3.44Å; E68-C81 PolarHBondContact O-N 3.37Å | ||
| 69 | R | 88.1 | Confident | 82.8 | Confident | 133 Ų | 133 | 70.8 Ų | 70.8 | 50% | 0.502 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 129.3 | 175.5 | 177.7 | 172.9 | -90.7 | -128.1 | -10.2 | 110.5 | P78 C79 | R69-P78 HydrophobicContact CG-CB 4.39Å; R69-P78 VanDerWaalsContact CZ-CB 3.44Å; R69-C79 CarbonylContact C-O 3.59Å; R69-C79 WeakPolarHBondContact CA-O 3.12Å |
| 70 | F | 86.8 | Confident | 83.2 | Confident | 7 Ų | 7 | 66.7 Ų | 66.7 | 3% | 0.031 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 173.4 | -178 | 74.3 | -81.5 | 0 | 0 | 0 | 112.8 | C56 Y64 P72 C79 C81 P86 | C56-F70 HydrophobicContact CB-CE1 3.85Å; C56-F70 HydrophobicContact CB-CZ 3.82Å; Y64-F70 HydrophobicContact CD1-CB 3.42Å; Y64-F70 VanDerWaalsContact CD1-CB 3.42Å; Y64-F70 HydrophobicContact CD1-CD1 4.37Å; Y64-F70 AromaticContact CD1-CG 3.95Å; Y64-F70 HydrophobicContact CD1-CG 3.95Å; Y64-F70 HydrophobicContact CD2-CB 3.91Å; Y64-F70 AromaticContact CD2-CD1 3.98Å; Y64-F70 HydrophobicContact CD2-CD1 3.98Å; Y64-F70 AromaticContact CD2-CD2 3.58Å; Y64-F70 HydrophobicContact CD2-CD2 3.58Å; Y64-F70 HydrophobicContact CD2-CE1 4.35Å; Y64-F70 AromaticContact CD2-CE2 3.97Å; Y64-F70 HydrophobicContact CD2-CE2 3.97Å; Y64-F70 AromaticContact CD2-CG 3.57Å; Y64-F70 HydrophobicContact CD2-CG 3.57Å; Y64-F70 HydrophobicContact CD2-CZ 4.33Å; Y64-F70 HydrophobicContact CE1-CB 3.2Å; Y64-F70 HydrophobicContact CE1-CD2 4.44Å; Y64-F70 HydrophobicContact CE1-CG 4Å; Y64-F70 HydrophobicContact CE2-CB 3.72Å; Y64-F70 HydrophobicContact CE2-CD1 4.47Å; Y64-F70 AromaticContact CE2-CD2 3.33Å; Y64-F70 HydrophobicContact CE2-CD2 3.33Å; Y64-F70 AromaticContact CE2-CE2 3.97Å; Y64-F70 HydrophobicContact CE2-CE2 3.97Å; Y64-F70 AromaticContact CE2-CG 3.62Å; Y64-F70 HydrophobicContact CE2-CG 3.62Å; Y64-F70 HydrophobicContact CG-CB 3.75Å; Y64-F70 AromaticContact CG-CD1 3.91Å; Y64-F70 HydrophobicContact CG-CD1 3.91Å; Y64-F70 HydrophobicContact CG-CD2 4.23Å; Y64-F70 AromaticContact CG-CG 3.72Å; Y64-F70 HydrophobicContact CG-CG 3.72Å; Y64-F70 AromaticContact CZ-CD2 3.8Å; Y64-F70 AromaticContact CZ-CG 3.82Å; F70-P72 HydrophobicContact CD2-CG 4.15Å; F70-P72 HydrophobicContact CE2-CB 4.11Å; F70-P72 HydrophobicContact CE2-CG 3.65Å; F70-P72 HydrophobicContact CZ-CG 4.31Å; F70-C79 HydrophobicContact CD1-CB 4.32Å; F70-C79 HydrophobicContact CE1-CB 4.01Å; F70-C79 HydrophobicContact CZ-CB 4.18Å; F70-C79 PolarHBondContact N-O 2.84Å; F70-C79 PolarHBondContact O-N 3.27Å; F70-C81 HydrophobicContact CE1-CB 4.21Å; F70-P86 HydrophobicContact CE1-CB 3.88Å; F70-P86 HydrophobicContact CZ-CB 3.53Å; F70-P86 HydrophobicContact CZ-CG 4.43Å |
| 71 | Y | 86.2 | Confident | 83.5 | Confident | 129 Ų | 129 | 61.8 Ų | 61.8 | 51% | 0.506 | 33% | 0.333 | S | S | . | . | trans | -125.5 | 99.8 | -177.2 | -64.1 | -86.9 | 0 | 0 | 0 | 109.4 | N76 P78 | Y71-N76 WeakPolarHBondContact CD1-O 3.47Å; Y71-P78 HydrophobicContact CD1-CB 4.27Å; Y71-P78 HydrophobicContact CE1-CB 3.6Å; Y71-P78 HydrophobicContact CE1-CG 4.27Å | ||
| 72 | P | 79.1 | Confident | 83.8 | Confident | 22 Ų | 22 | 61.7 Ų | 61.7 | 14% | 0.143 | 32% | 0.323 | C | S | . | . | trans | -66.8 | 150.5 | 178 | -3.6 | 15.2 | 0 | 0 | 0 | 111.3 | F70 N76 C77 C79 | F70-P72 HydrophobicContact CD2-CG 4.15Å; F70-P72 HydrophobicContact CE2-CB 4.11Å; F70-P72 HydrophobicContact CE2-CG 3.65Å; F70-P72 HydrophobicContact CZ-CG 4.31Å; P72-N76 WeakPolarHBondContact O-CA 3.38Å; P72-N76 PolarHBondContact O-N 2.02Å; P72-C77 WeakPolarHBondContact CD-O 3Å; P72-C79 WeakPolarHBondContact CD-SG 3.23Å; P72-C79 HydrophobicContact CG-CB 4.18Å; P72-C79 WeakPolarHBondContact CG-SG 3.09Å | ||
| 73 | G | 70.8 | Confident | 83.7 | Confident | 25 Ų | 25 | 64.7 Ų | 64.7 | 26% | 0.258 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | 157.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | S75 | G73-S75 PolarHBondContact O-N 3.13Š|
| 74 | H | 66.8 | Low | 83.6 | Confident | 173 Ų | 173 | 69.2 Ų | 69.2 | 80% | 0.801 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.7 | -41.4 | -177 | -66.7 | 59.3 | 0 | 0 | 0 | 116.2 | ||
| 75 | S | 64.5 | Low | 83.5 | Confident | 54 Ų | 54 | 68.7 Ų | 68.7 | 38% | 0.378 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -24.3 | -178.8 | 59.6 | 0 | 0 | 0 | 0 | 113.2 | G73 C77 G107 C108 | G73-S75 PolarHBondContact O-N 3.13Å; S75-C77 PolarHBondContact O-N 3.17Å; S75-G107 CarbonylContact O-C 3.6Å; S75-C108 WeakPolarHBondContact O-CA 3.2Å; S75-C108 PolarHBondContact O-N 2.81Å |
| 76 | N | 76.9 | Confident | 83.5 | Confident | 74 Ų | 74 | 66.4 Ų | 66.4 | 40% | 0.396 | 36% | 0.362 | S | S | . | . | trans | 37.9 | 35.7 | -177.8 | -61.3 | -37 | 0 | 0 | 0 | 113.6 | Y71 P72 N106 | Y71-N76 WeakPolarHBondContact CD1-O 3.47Å; P72-N76 WeakPolarHBondContact O-CA 3.38Å; P72-N76 PolarHBondContact O-N 2.02Å; N76-N106 PolarHBondContact ND2-O 3Å | ||
| 77 | C | 84.4 | Confident | 83.5 | Confident | 14 Ų | 14 | 65.9 Ų | 65.9 | 10% | 0.095 | 36% | 0.361 | C | S | . | . | trans | -81.8 | 143.2 | 171.9 | -77.3 | 0 | 0 | 0 | 0 | 109.2 | P72 S75 C79 C108 | P72-C77 WeakPolarHBondContact CD-O 3Å; S75-C77 PolarHBondContact O-N 3.17Å; C77-C79 PolarHBondContact O-N 3Å; C77-C79 PolarHBondContact O-SG 2.98Å; C77-C108 WeakPolarHBondContact CA-SG 3.19Å; C77-C108 HydrophobicContact CB-CB 3.88Å; C77-C108 WeakPolarHBondContact CB-SG 3.43Å; C77-C108 WeakPolarHBondContact SG-CA 3.09Å; C77-C108 WeakPolarHBondContact SG-CB 3.4Å; C77-C108 CovalentContact SG-SG 2.05Å; C77-C108 PolarHBondContact SG-SG 2.88Å | ||
| 78 | P | 87.1 | Confident | 83.6 | Confident | 19 Ų | 19 | 66 Ų | 66 | 12% | 0.123 | 35% | 0.352 | C | S | . | . | trans | -69.5 | 118.7 | 175.1 | 27.1 | -30.7 | 0 | 0 | 0 | 109.8 | R69 Y71 | R69-P78 HydrophobicContact CG-CB 4.39Å; R69-P78 VanDerWaalsContact CZ-CB 3.44Å; Y71-P78 HydrophobicContact CD1-CB 4.27Å; Y71-P78 HydrophobicContact CE1-CB 3.6Å; Y71-P78 HydrophobicContact CE1-CG 4.27Å | ||
| 79 | C | 88.3 | Confident | 83.2 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 149 | 178 | -49.5 | 0 | 0 | 0 | 0 | 110.2 | R69 F70 P72 C77 P86 V87 C88 | R69-C79 CarbonylContact C-O 3.59Å; R69-C79 WeakPolarHBondContact CA-O 3.12Å; F70-C79 HydrophobicContact CD1-CB 4.32Å; F70-C79 HydrophobicContact CE1-CB 4.01Å; F70-C79 HydrophobicContact CZ-CB 4.18Å; F70-C79 PolarHBondContact N-O 2.84Å; F70-C79 PolarHBondContact O-N 3.27Å; P72-C79 WeakPolarHBondContact CD-SG 3.23Å; P72-C79 HydrophobicContact CG-CB 4.18Å; P72-C79 WeakPolarHBondContact CG-SG 3.09Å; C77-C79 PolarHBondContact O-N 3Å; C77-C79 PolarHBondContact O-SG 2.98Å; C79-P86 HydrophobicContact CB-CB 4.44Å; C79-V87 CarbonylContact C-O 3.55Å; C79-V87 VanDerWaalsContact CA-O 3.23Å; C79-V87 WeakPolarHBondContact CA-O 3.3Å; C79-C88 HydrophobicContact CB-CB 4.02Å; C79-C88 WeakPolarHBondContact CB-SG 3.38Å; C79-C88 VanDerWaalsContact SG-CA 3.56Å; C79-C88 WeakPolarHBondContact SG-CB 3.38Å; C79-C88 CovalentContact SG-SG 2.02Å; C79-C88 PolarHBondContact SG-SG 2.05Å |
| 80 | V | 91.3 | Very high | 82.7 | Confident | 44 Ų | 44 | 67.6 Ų | 67.6 | 27% | 0.267 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 131.6 | 172.2 | -179.7 | 0 | 0 | 0 | 0 | 108.2 | E68 T82 V87 | E68-V80 WeakPolarHBondContact O-CA 3.44Å; V80-T82 PolarHBondContact O-N 2.86Å; V80-V87 PolarHBondContact N-O 3.34Å; V80-V87 PolarHBondContact O-N 2.84Å |
| 81 | C | 90.1 | Very high | 82.4 | Confident | 1 Ų | 1 | 70.4 Ų | 70.4 | 1% | 0.007 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 121.1 | 176 | -169.7 | 0 | 0 | 0 | 0 | 111.1 | C56 K65 G67 E68 F70 | C56-C81 HydrophobicContact CB-CB 3.8Å; C56-C81 WeakPolarHBondContact CB-SG 2.98Å; C56-C81 PolarHBondContact N-SG 3.07Å; C56-C81 WeakPolarHBondContact SG-CA 3.43Å; C56-C81 WeakPolarHBondContact SG-CB 3.49Å; C56-C81 CovalentContact SG-SG 2.05Å; C56-C81 PolarHBondContact SG-SG 3.1Å; K65-C81 WeakPolarHBondContact O-CB 3.16Å; G67-C81 PolarHBondContact N-O 2.88Å; E68-C81 PolarHBondContact O-N 3.37Å; F70-C81 HydrophobicContact CE1-CB 4.21Å |
| 82 | T | 88.8 | Confident | 82.3 | Confident | 50 Ų | 50 | 73.9 Ų | 73.9 | 31% | 0.307 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 171.5 | 176.1 | 71.9 | 0 | 0 | 0 | 0 | 110.7 | L66 V80 D84 G85 V87 | L66-T82 WeakPolarHBondContact CD2-O 3.32Å; V80-T82 PolarHBondContact O-N 2.86Å; T82-D84 PolarHBondContact O-N 3.48Å; T82-G85 WeakPolarHBondContact CB-O 3.05Å; T82-G85 PolarHBondContact N-O 2.88Å; T82-G85 PolarHBondContact O-N 2.78Å; T82-G85 VanDerWaalsContact O-N 3.08Å; T82-G85 PolarHBondContact OG1-O 2.88Å; T82-V87 HydrophobicContact CG2-CB 4.29Å; T82-V87 HydrophobicContact CG2-CG2 3.66Å |
| 83 | E | 85.6 | Confident | 82.6 | Confident | 176 Ų | 176 | 74.8 Ų | 74.8 | 82% | 0.822 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -29.7 | 178.4 | -65.2 | -169.2 | 158.1 | 0 | 0 | 112.5 | L66 | L66-E83 HydrophobicContact CD1-CG 4.05Å; L66-E83 HydrophobicContact CD2-CG 4.2Å |
| 84 | D | 84.7 | Confident | 83.3 | Confident | 169 Ų | 169 | 77.9 Ų | 77.9 | 90% | 0.904 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -4 | 178.1 | -62.7 | -49.9 | 0 | 0 | 0 | 113.3 | T82 | T82-D84 PolarHBondContact O-N 3.48Š|
| 85 | G | 83.9 | Confident | 84.1 | Confident | 19 Ų | 19 | 79.6 Ų | 79.6 | 20% | 0.196 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 122.2 | -169.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | T82 V87 | T82-G85 WeakPolarHBondContact CB-O 3.05Å; T82-G85 PolarHBondContact N-O 2.88Å; T82-G85 PolarHBondContact O-N 2.78Å; T82-G85 VanDerWaalsContact O-N 3.08Å; T82-G85 PolarHBondContact OG1-O 2.88Å; G85-V87 PolarHBondContact O-N 2.98Å |
| 86 | P | 87.6 | Confident | 84.9 | Confident | 73 Ų | 73 | 79.7 Ų | 79.7 | 47% | 0.474 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 123.2 | -177.7 | 31.4 | -34.5 | 0 | 0 | 0 | 112.1 | C56 F70 C79 | C56-P86 HydrophobicContact CB-CB 4.46Å; F70-P86 HydrophobicContact CE1-CB 3.88Å; F70-P86 HydrophobicContact CZ-CB 3.53Å; F70-P86 HydrophobicContact CZ-CG 4.43Å; C79-P86 HydrophobicContact CB-CB 4.44Å |
| 87 | V | 89.1 | Confident | 85 | Confident | 68 Ų | 68 | 81.4 Ų | 81.4 | 41% | 0.412 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 110.7 | 174.7 | -179.4 | 0 | 0 | 0 | 0 | 108.3 | C79 V80 T82 G85 | C79-V87 CarbonylContact C-O 3.55Å; C79-V87 VanDerWaalsContact CA-O 3.23Å; C79-V87 WeakPolarHBondContact CA-O 3.3Å; V80-V87 PolarHBondContact N-O 3.34Å; V80-V87 PolarHBondContact O-N 2.84Å; T82-V87 HydrophobicContact CG2-CB 4.29Å; T82-V87 HydrophobicContact CG2-CG2 3.66Å; G85-V87 PolarHBondContact O-N 2.98Å |
| 88 | C | 86.8 | Confident | 84.5 | Confident | 63 Ų | 63 | 86.9 Ų | 86.9 | 43% | 0.426 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 111.7 | -178.6 | -58.2 | 0 | 0 | 0 | 0 | 110.2 | C79 | C79-C88 HydrophobicContact CB-CB 4.02Å; C79-C88 WeakPolarHBondContact CB-SG 3.38Å; C79-C88 VanDerWaalsContact SG-CA 3.56Å; C79-C88 WeakPolarHBondContact SG-CB 3.38Å; C79-C88 CovalentContact SG-SG 2.02Å; C79-C88 PolarHBondContact SG-SG 2.05Å |
| 89 | D | 81.3 | Confident | 83.8 | Confident | 97 Ų | 97 | 88.9 Ų | 88.9 | 52% | 0.519 | 48% | 0.478 | S | S | . | . | trans | -87.3 | 117.8 | 174.3 | -64.6 | -45.7 | 0 | 0 | 0 | 109 | P91 | D89-P91 VanDerWaalsContact O-CD 3.31Å; D89-P91 WeakPolarHBondContact O-CD 3.03Å | ||
| 90 | Q | 75.9 | Confident | 83.4 | Confident | 143 Ų | 143 | 90.1 Ų | 90.1 | 67% | 0.668 | 49% | 0.487 | S | S | * | . | trans | -77.9 | 115.4 | 170.8 | -168.2 | 165.3 | 31 | 0 | 0 | 108.6 | C108 | Q90-C108 PolarHBondContact NE2-O 3.19Š| ||
| 91 | P | 81.7 | Confident | 83 | Confident | 66 Ų | 66 | 92.3 Ų | 92.3 | 43% | 0.429 | 50% | 0.501 | S | S | . | . | trans | -67.2 | 163.5 | 175.8 | 30.7 | -33.1 | 0 | 0 | 0 | 110.3 | D89 C93 C108 | D89-P91 VanDerWaalsContact O-CD 3.31Å; D89-P91 WeakPolarHBondContact O-CD 3.03Å; P91-C93 PolarHBondContact O-N 2.8Å; P91-C108 WeakPolarHBondContact CD-SG 3.37Å | ||
| 92 | E | 84.6 | Confident | 82.6 | Confident | 201 Ų | 201 | 96.9 Ų | 96.9 | 94% | 0.939 | 52% | 0.52 | S | S | * | . | trans | -62 | 103.1 | 171.7 | -71.5 | -173.8 | 175.5 | 0 | 0 | 110.2 | ||||
| 93 | C | 84.3 | Confident | 82.5 | Confident | 42 Ų | 42 | 97.3 Ų | 97.3 | 28% | 0.284 | 52% | 0.523 | S | S | . | . | P | Polyproline II helix | trans | -72.8 | 145.2 | -178.8 | -68.8 | 0 | 0 | 0 | 0 | 112.2 | P91 K95 C109 | P91-C93 PolarHBondContact O-N 2.8Å; C93-K95 PolarHBondContact O-N 2.9Å; C93-C109 WeakPolarHBondContact CA-SG 3.29Å; C93-C109 HydrophobicContact CB-CB 3.7Å; C93-C109 WeakPolarHBondContact CB-SG 3.34Å; C93-C109 WeakPolarHBondContact SG-CA 3.45Å; C93-C109 WeakPolarHBondContact SG-CB 3.42Å; C93-C109 CovalentContact SG-SG 2.05Å; C93-C109 PolarHBondContact SG-SG 2.96Å |
| 94 | P | 85.3 | Confident | 82.5 | Confident | 90 Ų | 90 | 91.7 Ų | 91.7 | 58% | 0.584 | 50% | 0.496 | S | S | * | . | P | Polyproline II helix | trans | -62.7 | 138 | 176.9 | 26.2 | -33.6 | 0 | 0 | 0 | 110.7 | L96 | P94-L96 PolarHBondContact O-N 3.06Š|
| 95 | K | 83.1 | Confident | 82.4 | Confident | 209 Ų | 209 | 89.9 Ų | 89.9 | 91% | 0.909 | 48% | 0.482 | S | S | * | . | P | Polyproline II helix | trans | -69.9 | 116.1 | 172.2 | -66.8 | -178.1 | -178.9 | 177.2 | 0 | 109 | C93 | C93-K95 PolarHBondContact O-N 2.9Š|
| 96 | L | 83 | Confident | 82 | Confident | 56 Ų | 56 | 94.5 Ų | 94.5 | 29% | 0.293 | 50% | 0.502 | S | S | . | . | P | Polyproline II helix | trans | -63 | 141.4 | 176.5 | -109.1 | 72 | 0 | 0 | 0 | 111.4 | P94 C100 V103 P110 C112 | P94-L96 PolarHBondContact O-N 3.06Å; L96-C100 HydrophobicContact CD2-CB 4.04Å; L96-V103 HydrophobicContact CD2-CB 4.09Å; L96-V103 HydrophobicContact CD2-CG1 3.67Å; L96-V103 HydrophobicContact CD2-CG2 3.45Å; L96-V103 VanDerWaalsContact CD2-CG2 3.45Å; L96-P110 HydrophobicContact CD1-CB 4.37Å; L96-P110 HydrophobicContact CD1-CG 4.34Å; L96-P110 WeakPolarHBondContact CD1-O 3.33Å; L96-C112 HydrophobicContact CD2-CB 3.97Å; L96-C112 HydrophobicContact CG-CB 4.13Å |
| 97 | H | 77.6 | Confident | 81.7 | Confident | 110 Ų | 110 | 92.1 Ų | 92.1 | 51% | 0.509 | 49% | 0.491 | S | S | . | . | P | Polyproline II helix | trans | -66.4 | 139.8 | 175 | -163.6 | -71.9 | 0 | 0 | 0 | 109.9 | K99 C100 | H97-K99 WeakPolarHBondContact CE1-CD 3.06Å; H97-K99 VanDerWaalsContact CE1-CG 3.42Å; H97-K99 WeakPolarHBondContact CE1-CG 3.39Å; H97-K99 VanDerWaalsContact ND1-CB 3.34Å; H97-K99 WeakPolarHBondContact ND1-CB 3.31Å; H97-K99 VanDerWaalsContact ND1-CG 3.29Å; H97-K99 WeakPolarHBondContact ND1-CG 3.05Å; H97-K99 PolarHBondContact ND1-N 3.24Å; H97-K99 PolarHBondContact O-N 3.22Å; H97-C100 WeakPolarHBondContact O-CB 3.47Å; H97-C100 PolarHBondContact O-N 3.31Å |
| 98 | P | 74.9 | Confident | 81.4 | Confident | 128 Ų | 128 | 89.8 Ų | 89.8 | 83% | 0.831 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -3.5 | 175.5 | 23.9 | -35.4 | 0 | 0 | 0 | 115 | C100 | P98-C100 VanDerWaalsContact C-N 3.31Š|
| 99 | K | 72.7 | Confident | 81.4 | Confident | 61 Ų | 61 | 88.1 Ų | 88.1 | 27% | 0.265 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -5.1 | 175.1 | -71 | 174.3 | -175.7 | 177.4 | 0 | 111.9 | H97 T101 V115 K116 P144 N146 | H97-K99 WeakPolarHBondContact CE1-CD 3.06Å; H97-K99 VanDerWaalsContact CE1-CG 3.42Å; H97-K99 WeakPolarHBondContact CE1-CG 3.39Å; H97-K99 VanDerWaalsContact ND1-CB 3.34Å; H97-K99 WeakPolarHBondContact ND1-CB 3.31Å; H97-K99 VanDerWaalsContact ND1-CG 3.29Å; H97-K99 WeakPolarHBondContact ND1-CG 3.05Å; H97-K99 PolarHBondContact ND1-N 3.24Å; H97-K99 PolarHBondContact O-N 3.22Å; K99-T101 PolarHBondContact O-N 2.69Å; K99-V115 HydrophobicContact CB-CG1 3.72Å; K99-K116 PolarHBondContact O-N 2.05Å; K99-P144 WeakPolarHBondContact CE-O 2.93Å; K99-P144 PolarHBondContact NZ-O 3.22Å; K99-N146 VanDerWaalsContact CD-OD1 3.3Å; K99-N146 WeakPolarHBondContact CD-OD1 3.33Å; K99-N146 WeakPolarHBondContact CE-OD1 3.37Å; K99-N146 WeakPolarHBondContact CG-OD1 3.33Å |
| 100 | C | 80.1 | Confident | 81.6 | Confident | 26 Ų | 26 | 85.4 Ų | 85.4 | 18% | 0.176 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 119.3 | 178.8 | -162.1 | 0 | 0 | 0 | 0 | 110 | L96 H97 P98 K102 C112 | L96-C100 HydrophobicContact CD2-CB 4.04Å; H97-C100 WeakPolarHBondContact O-CB 3.47Å; H97-C100 PolarHBondContact O-N 3.31Å; P98-C100 VanDerWaalsContact C-N 3.31Å; C100-K102 PolarHBondContact SG-O 2.84Å; C100-C112 WeakPolarHBondContact CA-SG 3.37Å; C100-C112 HydrophobicContact CB-CB 3.9Å; C100-C112 WeakPolarHBondContact CB-SG 3.33Å; C100-C112 WeakPolarHBondContact SG-CA 3.33Å; C100-C112 WeakPolarHBondContact SG-CB 2.92Å; C100-C112 CovalentContact SG-SG 2.03Å; C100-C112 PolarHBondContact SG-SG 3.48Å |
| 101 | T | 81.6 | Confident | 82.1 | Confident | 91 Ų | 91 | 85.1 Ų | 85.1 | 56% | 0.558 | 45% | 0.453 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90 | -30.8 | 175.9 | -52.8 | 0 | 0 | 0 | 0 | 110.9 | K99 E114 K116 | K99-T101 PolarHBondContact O-N 2.69Å; T101-E114 PolarHBondContact N-O 2.85Å; T101-K116 WeakPolarHBondContact OG1-CB 3.36Å |
| 102 | K | 81.9 | Confident | 82.3 | Confident | 96 Ų | 96 | 84.1 Ų | 84.1 | 42% | 0.417 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 115.4 | -177.4 | -171.1 | 179 | 177.8 | 176.4 | 0 | 111.1 | C100 K113 E114 | C100-K102 PolarHBondContact SG-O 2.84Å; K102-K113 HydrophobicContact CD-CD 4.31Å; K102-K113 PolarHBondContact O-N 3.43Å; K102-E114 HydrophobicContact CB-CB 3.97Å; K102-E114 HydrophobicContact CB-CG 4.38Å; K102-E114 HydrophobicContact CD-CG 4.25Å; K102-E114 WeakPolarHBondContact CD-OE1 3.39Å; K102-E114 PolarHBondContact N-O 2.8Å; K102-E114 IonicContact NZ-OE1 2.69Å; K102-E114 PolarHBondContact NZ-OE1 2.86Å |
| 103 | V | 86.9 | Confident | 82.3 | Confident | 60 Ų | 60 | 79.8 Ų | 79.8 | 36% | 0.364 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 128.3 | 176.8 | -172.8 | 0 | 0 | 0 | 0 | 109 | L96 P110 | L96-V103 HydrophobicContact CD2-CB 4.09Å; L96-V103 HydrophobicContact CD2-CG1 3.67Å; L96-V103 HydrophobicContact CD2-CG2 3.45Å; L96-V103 VanDerWaalsContact CD2-CG2 3.45Å; V103-P110 HydrophobicContact CG1-CB 3.59Å |
| 104 | E | 85.1 | Confident | 82 | Confident | 57 Ų | 57 | 82.3 Ų | 82.3 | 27% | 0.266 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 133.3 | 175.1 | -168.5 | 157.6 | -142.8 | 0 | 0 | 109 | N106 P110 E111 K113 | E104-N106 VanDerWaalsContact CD-ND2 3.35Å; E104-N106 HydrophobicContact CG-CB 3.98Å; E104-N106 VanDerWaalsContact CG-CG 3.48Å; E104-N106 VanDerWaalsContact CG-ND2 3.33Å; E104-N106 WeakPolarHBondContact CG-ND2 3.4Å; E104-N106 PolarHBondContact OE1-ND2 3.44Å; E104-P110 WeakPolarHBondContact O-CA 2.95Å; E104-E111 PolarHBondContact N-O 3.41Å; E104-E111 PolarHBondContact O-N 2.88Å; E104-K113 HydrophobicContact CB-CB 4.49Å; E104-K113 IonicContact OE1-NZ 2.66Å; E104-K113 PolarHBondContact OE1-NZ 3.23Å; E104-K113 WeakPolarHBondContact OE2-CD 3.17Å; E104-K113 IonicContact OE2-NZ 2.84Å; E104-K113 PolarHBondContact OE2-NZ 2.98Å |
| 105 | H | 83.2 | Confident | 81.7 | Confident | 131 Ų | 131 | 81.2 Ų | 81.2 | 61% | 0.606 | 42% | 0.424 | S | S | * | . | trans | -109.9 | 25.8 | -176.3 | -63.8 | 81.5 | 0 | 0 | 0 | 111.4 | G107 | H105-G107 PolarHBondContact O-N 2.03Š| ||
| 106 | N | 76.3 | Confident | 81.3 | Confident | 116 Ų | 116 | 74.3 Ų | 74.3 | 62% | 0.62 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -83.5 | 27.2 | -170.8 | -61.1 | -5.7 | 0 | 0 | 0 | 113.3 | N76 E104 | N76-N106 PolarHBondContact ND2-O 3Å; E104-N106 VanDerWaalsContact CD-ND2 3.35Å; E104-N106 HydrophobicContact CG-CB 3.98Å; E104-N106 VanDerWaalsContact CG-CG 3.48Å; E104-N106 VanDerWaalsContact CG-ND2 3.33Å; E104-N106 WeakPolarHBondContact CG-ND2 3.4Å; E104-N106 PolarHBondContact OE1-ND2 3.44Å |
| 107 | G | 80.4 | Confident | 81.2 | Confident | 23 Ų | 23 | 76.5 Ų | 76.5 | 24% | 0.237 | 41% | 0.406 | C | S | . | . | S | Bend | trans | -172.2 | -172.9 | 180 | 0 | 0 | 0 | 0 | 0 | 112 | S75 H105 C109 | S75-G107 CarbonylContact O-C 3.6Å; H105-G107 PolarHBondContact O-N 2.03Å; G107-C109 PolarHBondContact O-N 2.95Å |
| 108 | C | 82.9 | Confident | 81.6 | Confident | 20 Ų | 20 | 75 Ų | 75 | 14% | 0.135 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -65.4 | -29.6 | -170.2 | -166.2 | 0 | 0 | 0 | 0 | 113.3 | S75 C77 Q90 P91 | S75-C108 WeakPolarHBondContact O-CA 3.2Å; S75-C108 PolarHBondContact O-N 2.81Å; C77-C108 WeakPolarHBondContact CA-SG 3.19Å; C77-C108 HydrophobicContact CB-CB 3.88Å; C77-C108 WeakPolarHBondContact CB-SG 3.43Å; C77-C108 WeakPolarHBondContact SG-CA 3.09Å; C77-C108 WeakPolarHBondContact SG-CB 3.4Å; C77-C108 CovalentContact SG-SG 2.05Å; C77-C108 PolarHBondContact SG-SG 2.88Å; Q90-C108 PolarHBondContact NE2-O 3.19Å; P91-C108 WeakPolarHBondContact CD-SG 3.37Å |
| 109 | C | 86.3 | Confident | 82.4 | Confident | 28 Ų | 28 | 68.9 Ų | 68.9 | 19% | 0.189 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -120.8 | 143.5 | 174.9 | -68.4 | 0 | 0 | 0 | 0 | 110.8 | C93 G107 | C93-C109 WeakPolarHBondContact CA-SG 3.29Å; C93-C109 HydrophobicContact CB-CB 3.7Å; C93-C109 WeakPolarHBondContact CB-SG 3.34Å; C93-C109 WeakPolarHBondContact SG-CA 3.45Å; C93-C109 WeakPolarHBondContact SG-CB 3.42Å; C93-C109 CovalentContact SG-SG 2.05Å; C93-C109 PolarHBondContact SG-SG 2.96Å; G107-C109 PolarHBondContact O-N 2.95Å |
| 110 | P | 86.8 | Confident | 83.2 | Confident | 40 Ų | 40 | 71.5 Ų | 71.5 | 26% | 0.26 | 37% | 0.372 | S | S | . | . | trans | -65.9 | 137.6 | 174.4 | 27.1 | -32.7 | 0 | 0 | 0 | 110.2 | L96 V103 E104 | L96-P110 HydrophobicContact CD1-CB 4.37Å; L96-P110 HydrophobicContact CD1-CG 4.34Å; L96-P110 WeakPolarHBondContact CD1-O 3.33Å; V103-P110 HydrophobicContact CG1-CB 3.59Å; E104-P110 WeakPolarHBondContact O-CA 2.95Å | ||
| 111 | E | 85.8 | Confident | 83.7 | Confident | 136 Ų | 136 | 72.3 Ų | 72.3 | 64% | 0.636 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 145.3 | 175.6 | -69.4 | -172.4 | 176.9 | 0 | 0 | 110.7 | E104 K113 | E104-E111 PolarHBondContact N-O 3.41Å; E104-E111 PolarHBondContact O-N 2.88Å; E111-K113 PolarHBondContact O-N 3.25Å |
| 112 | C | 85.6 | Confident | 84.2 | Confident | 46 Ų | 46 | 76.2 Ų | 76.2 | 31% | 0.311 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 110.4 | 174.3 | -170.8 | 0 | 0 | 0 | 0 | 110.6 | L96 C100 E114 | L96-C112 HydrophobicContact CD2-CB 3.97Å; L96-C112 HydrophobicContact CG-CB 4.13Å; C100-C112 WeakPolarHBondContact CA-SG 3.37Å; C100-C112 HydrophobicContact CB-CB 3.9Å; C100-C112 WeakPolarHBondContact CB-SG 3.33Å; C100-C112 WeakPolarHBondContact SG-CA 3.33Å; C100-C112 WeakPolarHBondContact SG-CB 2.92Å; C100-C112 CovalentContact SG-SG 2.03Å; C100-C112 PolarHBondContact SG-SG 3.48Å; C112-E114 PolarHBondContact SG-O 3.07Å; C112-E114 VanDerWaalsContact SG-O 3.41Å |
| 113 | K | 84.1 | Confident | 84.5 | Confident | 110 Ų | 110 | 74.8 Ų | 74.8 | 48% | 0.478 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | -38.6 | 179.3 | -159.6 | -170.7 | -164.7 | 94.3 | 0 | 112.2 | K102 E104 E111 | K102-K113 HydrophobicContact CD-CD 4.31Å; K102-K113 PolarHBondContact O-N 3.43Å; E104-K113 HydrophobicContact CB-CB 4.49Å; E104-K113 IonicContact OE1-NZ 2.66Å; E104-K113 PolarHBondContact OE1-NZ 3.23Å; E104-K113 WeakPolarHBondContact OE2-CD 3.17Å; E104-K113 IonicContact OE2-NZ 2.84Å; E104-K113 PolarHBondContact OE2-NZ 2.98Å; E111-K113 PolarHBondContact O-N 3.25Å |
| 114 | E | 78.5 | Confident | 84.7 | Confident | 95 Ų | 95 | 78.4 Ų | 78.4 | 44% | 0.444 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 121.8 | -175.9 | -64.8 | 168.3 | -148 | 0 | 0 | 110.6 | T101 K102 C112 | T101-E114 PolarHBondContact N-O 2.85Å; K102-E114 HydrophobicContact CB-CB 3.97Å; K102-E114 HydrophobicContact CB-CG 4.38Å; K102-E114 HydrophobicContact CD-CG 4.25Å; K102-E114 WeakPolarHBondContact CD-OE1 3.39Å; K102-E114 PolarHBondContact N-O 2.8Å; K102-E114 IonicContact NZ-OE1 2.69Å; K102-E114 PolarHBondContact NZ-OE1 2.86Å; C112-E114 PolarHBondContact SG-O 3.07Å; C112-E114 VanDerWaalsContact SG-O 3.41Å |
| 115 | V | 77.9 | Confident | 85 | Confident | 67 Ų | 67 | 80.2 Ų | 80.2 | 41% | 0.406 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 133.6 | 175.1 | -174.5 | 0 | 0 | 0 | 0 | 108.5 | K99 N117 | K99-V115 HydrophobicContact CB-CG1 3.72Å; V115-N117 PolarHBondContact O-N 3.43Å; V115-N117 VanDerWaalsContact O-N 3.07Å; V115-N117 PolarHBondContact O-ND2 2.86Å |
| 116 | K | 76.3 | Confident | 85.4 | Confident | 63 Ų | 63 | 75.4 Ų | 75.4 | 27% | 0.274 | 39% | 0.391 | S | S | . | . | trans | -63.6 | 113.2 | 173.4 | -158.3 | 175.6 | -179.3 | 175.2 | 0 | 107.7 | K99 T101 F118 N146 | K99-K116 PolarHBondContact O-N 2.05Å; T101-K116 WeakPolarHBondContact OG1-CB 3.36Å; K116-F118 HydrophobicContact CD-CE2 4.48Å; K116-F118 HydrophobicContact CD-CZ 4.47Å; K116-F118 VanDerWaalsContact CE-CE2 3.45Å; K116-F118 HydrophobicContact CG-CD1 4.12Å; K116-F118 HydrophobicContact CG-CD2 4.46Å; K116-F118 HydrophobicContact CG-CE1 3.89Å; K116-F118 HydrophobicContact CG-CE2 4.26Å; K116-F118 HydrophobicContact CG-CG 4.4Å; K116-F118 HydrophobicContact CG-CZ 3.97Å; K116-N146 VanDerWaalsContact C-ND2 3.31Å; K116-N146 PolarHBondContact O-ND2 2.81Å; K116-N146 PolarHBondContact O-OD1 3.17Å | ||
| 117 | N | 80.6 | Confident | 86.1 | Confident | 102 Ų | 102 | 77.3 Ų | 77.3 | 55% | 0.545 | 39% | 0.394 | S | S | . | . | trans | -112.5 | 18.5 | 178.6 | -66.9 | -37.9 | 0 | 0 | 0 | 112.4 | V115 I128 | V115-N117 PolarHBondContact O-N 3.43Å; V115-N117 VanDerWaalsContact O-N 3.07Å; V115-N117 PolarHBondContact O-ND2 2.86Å; N117-I128 HydrophobicContact CB-CD1 4.24Å; N117-I128 WeakPolarHBondContact O-CG1 3.4Å | ||
| 118 | F | 86.6 | Confident | 86.7 | Confident | 79 Ų | 79 | 78.9 Ų | 78.9 | 35% | 0.346 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 152.1 | -179.3 | 60.4 | -89 | 0 | 0 | 0 | 110.4 | K116 T125 Y126 N146 | K116-F118 HydrophobicContact CD-CE2 4.48Å; K116-F118 HydrophobicContact CD-CZ 4.47Å; K116-F118 VanDerWaalsContact CE-CE2 3.45Å; K116-F118 HydrophobicContact CG-CD1 4.12Å; K116-F118 HydrophobicContact CG-CD2 4.46Å; K116-F118 HydrophobicContact CG-CE1 3.89Å; K116-F118 HydrophobicContact CG-CE2 4.26Å; K116-F118 HydrophobicContact CG-CG 4.4Å; K116-F118 HydrophobicContact CG-CZ 3.97Å; F118-T125 HydrophobicContact CD2-CG2 3.77Å; F118-T125 HydrophobicContact CE2-CG2 3.96Å; F118-Y126 CarbonylContact C-O 3.51Å; F118-Y126 WeakPolarHBondContact CA-O 3.39Å; F118-Y126 VanDerWaalsContact CB-O 3.28Å; F118-Y126 WeakPolarHBondContact CB-O 3.15Å; F118-N146 PolarHBondContact N-ND2 2.97Å; F118-N146 PolarHBondContact O-ND2 2.85Å |
| 119 | C | 89.8 | Confident | 87 | Confident | 0 Ų | 0 | 82.2 Ų | 82.2 | 0% | 0 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 152 | 166 | -59 | 0 | 0 | 0 | 0 | 109.6 | T125 Y126 C142 E147 V148 | C119-T125 CarbonylContact O-C 3.59Å; C119-T125 VanDerWaalsContact O-CA 3.32Å; C119-T125 WeakPolarHBondContact O-CA 3.41Å; C119-Y126 PolarHBondContact N-O 3.02Å; C119-Y126 PolarHBondContact O-N 3.46Å; C119-C142 HydrophobicContact CB-CB 3.69Å; C119-C142 WeakPolarHBondContact CB-SG 3.14Å; C119-C142 PolarHBondContact N-SG 3.01Å; C119-C142 WeakPolarHBondContact SG-CA 3.38Å; C119-C142 WeakPolarHBondContact SG-CB 3.48Å; C119-C142 CovalentContact SG-SG 2.02Å; C119-C142 PolarHBondContact SG-SG 2.76Å; C119-E147 PolarHBondContact SG-O 3.43Å; C119-V148 HydrophobicContact CB-CG2 3.52Å |
| 120 | E | 90.2 | Very high | 87.4 | Confident | 116 Ų | 116 | 84.3 Ų | 84.3 | 54% | 0.542 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 122.7 | 173.8 | -169.6 | -179.2 | 160.5 | 0 | 0 | 109.1 | K124 | E120-K124 CarbonylContact C-O 3.53Å; E120-K124 WeakPolarHBondContact CA-O 3.3Å |
| 121 | Y | 91.8 | Very high | 87.7 | Confident | 43 Ų | 43 | 87.6 Ų | 87.6 | 17% | 0.169 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 120.9 | 178.7 | -168.7 | -102.3 | 0 | 0 | 0 | 110 | G123 K124 F132 P134 E138 V148 | Y121-G123 PolarHBondContact O-N 3Å; Y121-G123 VanDerWaalsContact O-N 3.17Å; Y121-K124 PolarHBondContact N-O 2.74Å; Y121-K124 PolarHBondContact O-N 3.46Å; Y121-F132 AromaticContact CD1-CE2 3.49Å; Y121-F132 HydrophobicContact CD1-CE2 3.49Å; Y121-F132 VanDerWaalsContact CD1-CE2 3.49Å; Y121-F132 AromaticContact CD1-CZ 3.96Å; Y121-F132 HydrophobicContact CD1-CZ 3.96Å; Y121-F132 HydrophobicContact CE1-CE2 4.09Å; Y121-F132 AromaticContact CG-CE2 3.89Å; Y121-F132 HydrophobicContact CG-CE2 3.89Å; Y121-F132 AromaticContact CG-CZ 3.85Å; Y121-F132 HydrophobicContact CG-CZ 3.85Å; Y121-P134 HydrophobicContact CD1-CG 4.12Å; Y121-P134 HydrophobicContact CE1-CB 4.01Å; Y121-P134 HydrophobicContact CE1-CG 3.49Å; Y121-P134 VanDerWaalsContact CE1-CG 3.49Å; Y121-E138 PolarHBondContact OH-OE1 3.45Å; Y121-V148 HydrophobicContact CD2-CB 4.08Å; Y121-V148 HydrophobicContact CD2-CG1 3.76Å; Y121-V148 HydrophobicContact CD2-CG2 4.24Å; Y121-V148 HydrophobicContact CE2-CG1 4.28Å; Y121-V148 HydrophobicContact CG-CG1 4.21Å |
| 122 | R | 90.2 | Very high | 88.1 | Confident | 173 Ų | 173 | 82 Ų | 82 | 65% | 0.653 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.9 | 41.6 | -179.3 | -60.4 | -175.5 | -174.3 | 167.1 | 10 | 113.4 | K124 E138 | R122-K124 VanDerWaalsContact C-N 3.3Å; R122-K124 PolarHBondContact O-N 3.4Å; R122-E138 IonicContact CZ-OE2 3.45Å; R122-E138 IonicContact NH1-OE2 2.87Å; R122-E138 IonicContact NH2-OE1 2.96Å; R122-E138 PolarHBondContact NH2-OE1 3.07Å; R122-E138 IonicContact NH2-OE2 2.8Å; R122-E138 PolarHBondContact NH2-OE2 3.27Å |
| 123 | G | 89.6 | Confident | 88.4 | Confident | 65 Ų | 65 | 87 Ų | 87 | 67% | 0.67 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.3 | 9.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y121 | Y121-G123 PolarHBondContact O-N 3Å; Y121-G123 VanDerWaalsContact O-N 3.17Å |
| 124 | K | 91.1 | Very high | 88.8 | Confident | 136 Ų | 136 | 83.9 Ų | 83.9 | 59% | 0.591 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110 | 143.6 | 171.9 | -66.6 | -179.3 | -179 | 179.5 | 0 | 110.2 | E120 Y121 R122 Y126 | E120-K124 CarbonylContact C-O 3.53Å; E120-K124 WeakPolarHBondContact CA-O 3.3Å; Y121-K124 PolarHBondContact N-O 2.74Å; Y121-K124 PolarHBondContact O-N 3.46Å; R122-K124 VanDerWaalsContact C-N 3.3Å; R122-K124 PolarHBondContact O-N 3.4Å; K124-Y126 HydrophobicContact CB-CD2 4.49Å; K124-Y126 HydrophobicContact CB-CE2 3.64Å |
| 125 | T | 91.2 | Very high | 89.3 | Confident | 96 Ų | 96 | 81.3 Ų | 81.3 | 59% | 0.589 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 132 | 177.1 | 53.8 | 0 | 0 | 0 | 0 | 110.9 | F118 C119 | F118-T125 HydrophobicContact CD2-CG2 3.77Å; F118-T125 HydrophobicContact CE2-CG2 3.96Å; C119-T125 CarbonylContact O-C 3.59Å; C119-T125 VanDerWaalsContact O-CA 3.32Å; C119-T125 WeakPolarHBondContact O-CA 3.41Å |
| 126 | Y | 91.9 | Very high | 89.9 | Confident | 30 Ų | 30 | 81.3 Ų | 81.3 | 12% | 0.118 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 143.4 | 179.5 | -63.1 | -86.1 | 0 | 0 | 0 | 110 | F118 C119 K124 E130 F132 | F118-Y126 CarbonylContact C-O 3.51Å; F118-Y126 WeakPolarHBondContact CA-O 3.39Å; F118-Y126 VanDerWaalsContact CB-O 3.28Å; F118-Y126 WeakPolarHBondContact CB-O 3.15Å; C119-Y126 PolarHBondContact N-O 3.02Å; C119-Y126 PolarHBondContact O-N 3.46Å; K124-Y126 HydrophobicContact CB-CD2 4.49Å; K124-Y126 HydrophobicContact CB-CE2 3.64Å; Y126-E130 HydrophobicContact CD1-CG 4.39Å; Y126-F132 HydrophobicContact CD1-CB 4Å; Y126-F132 AromaticContact CD1-CD1 3.36Å; Y126-F132 HydrophobicContact CD1-CD1 3.36Å; Y126-F132 HydrophobicContact CD1-CD2 4.31Å; Y126-F132 AromaticContact CD1-CE1 3.79Å; Y126-F132 HydrophobicContact CD1-CE1 3.79Å; Y126-F132 AromaticContact CD1-CG 3.64Å; Y126-F132 HydrophobicContact CD1-CG 3.64Å; Y126-F132 HydrophobicContact CD1-CZ 4.41Å; Y126-F132 HydrophobicContact CD2-CD1 4.16Å; Y126-F132 AromaticContact CD2-CE1 3.73Å; Y126-F132 HydrophobicContact CD2-CE1 3.73Å; Y126-F132 HydrophobicContact CD2-CE2 4.27Å; Y126-F132 AromaticContact CD2-CZ 3.77Å; Y126-F132 HydrophobicContact CD2-CZ 3.77Å; Y126-F132 HydrophobicContact CE1-CB 3.54Å; Y126-F132 AromaticContact CE1-CD1 3.57Å; Y126-F132 HydrophobicContact CE1-CD1 3.57Å; Y126-F132 AromaticContact CE1-CD2 3.67Å; Y126-F132 HydrophobicContact CE1-CD2 3.67Å; Y126-F132 HydrophobicContact CE1-CE1 4.11Å; Y126-F132 HydrophobicContact CE1-CE2 4.19Å; Y126-F132 AromaticContact CE1-CG 3.31Å; Y126-F132 HydrophobicContact CE1-CG 3.31Å; Y126-F132 HydrophobicContact CE1-CZ 4.38Å; Y126-F132 HydrophobicContact CE2-CD1 4.36Å; Y126-F132 HydrophobicContact CE2-CD2 4.09Å; Y126-F132 HydrophobicContact CE2-CE1 4.07Å; Y126-F132 AromaticContact CE2-CE2 3.79Å; Y126-F132 HydrophobicContact CE2-CE2 3.79Å; Y126-F132 HydrophobicContact CE2-CG 4.36Å; Y126-F132 AromaticContact CE2-CZ 3.76Å; Y126-F132 HydrophobicContact CE2-CZ 3.76Å; Y126-F132 AromaticContact CG-CD1 3.66Å; Y126-F132 HydrophobicContact CG-CD1 3.66Å; Y126-F132 AromaticContact CG-CE1 3.57Å; Y126-F132 HydrophobicContact CG-CE1 3.57Å; Y126-F132 HydrophobicContact CG-CG 4.27Å; Y126-F132 HydrophobicContact CG-CZ 4.11Å; Y126-F132 AromaticContact CZ-CD2 3.52Å; Y126-F132 AromaticContact CZ-CE2 3.71Å; Y126-F132 AromaticContact CZ-CG 3.7Å |
| 127 | K | 91.5 | Very high | 90.6 | Very high | 156 Ų | 156 | 80.1 Ų | 80.1 | 68% | 0.678 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 156 | 176.7 | -63.4 | 177.3 | -177.1 | 175.9 | 0 | 110.6 | L129 E130 C142 | K127-L129 PolarHBondContact O-N 2.98Å; K127-E130 HydrophobicContact CB-CB 4.27Å; K127-E130 WeakPolarHBondContact CB-OE2 3.1Å; K127-E130 PolarHBondContact N-OE2 2.87Å; K127-E130 WeakPolarHBondContact O-CB 3.32Å; K127-E130 PolarHBondContact O-N 2.65Å; K127-C142 VanDerWaalsContact O-CB 3.22Å; K127-C142 WeakPolarHBondContact O-CB 3.23Å; K127-C142 PolarHBondContact O-SG 3.39Å |
| 128 | I | 91.2 | Very high | 91.2 | Very high | 55 Ų | 55 | 76.5 Ų | 76.5 | 28% | 0.282 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | 136.5 | 171.7 | -71.8 | 166.2 | 0 | 0 | 0 | 110.2 | N117 E130 P144 | N117-I128 HydrophobicContact CB-CD1 4.24Å; N117-I128 WeakPolarHBondContact O-CG1 3.4Å; I128-E130 PolarHBondContact O-N 2.87Å; I128-P144 HydrophobicContact CG2-CB 4.12Å; I128-P144 HydrophobicContact CG2-CG 4.16Å |
| 129 | L | 90.8 | Very high | 91.5 | Very high | 91 Ų | 91 | 76.8 Ų | 76.8 | 48% | 0.476 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.9 | 7.2 | -173.6 | -54.9 | 169.8 | 0 | 0 | 0 | 115.1 | K127 E131 C142 P144 | K127-L129 PolarHBondContact O-N 2.98Å; L129-E131 PolarHBondContact O-N 3.45Å; L129-C142 VanDerWaalsContact CA-O 3.23Å; L129-C142 WeakPolarHBondContact CA-O 3.43Å; L129-C142 PolarHBondContact N-O 2.88Å; L129-P144 HydrophobicContact CD2-CG 4.07Å |
| 130 | E | 93.6 | Very high | 91.8 | Very high | 72 Ų | 72 | 76.8 Ų | 76.8 | 34% | 0.336 | 38% | 0.384 | S | S | . | . | trans | -71.8 | 129.5 | 173.7 | -168.4 | 173.9 | 157.2 | 0 | 0 | 110.3 | Y126 K127 I128 R141 C142 | Y126-E130 HydrophobicContact CD1-CG 4.39Å; K127-E130 HydrophobicContact CB-CB 4.27Å; K127-E130 WeakPolarHBondContact CB-OE2 3.1Å; K127-E130 PolarHBondContact N-OE2 2.87Å; K127-E130 WeakPolarHBondContact O-CB 3.32Å; K127-E130 PolarHBondContact O-N 2.65Å; I128-E130 PolarHBondContact O-N 2.87Å; E130-R141 WeakPolarHBondContact O-CA 3.28Å; E130-C142 PolarHBondContact O-N 2.94Å | ||
| 131 | E | 93.9 | Very high | 92 | Very high | 108 Ų | 108 | 74.8 Ų | 74.8 | 51% | 0.505 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 132.6 | 176.1 | -65.2 | 174.8 | -175.2 | 0 | 0 | 109.3 | L129 W139 C140 R141 | L129-E131 PolarHBondContact O-N 3.45Å; E131-W139 HydrophobicContact CB-CZ2 4.08Å; E131-W139 HydrophobicContact CG-CH2 4.3Å; E131-W139 HydrophobicContact CG-CZ2 3.59Å; E131-W139 WeakPolarHBondContact OE2-CZ2 3.43Å; E131-C140 CarbonylContact C-O 3.51Å; E131-C140 WeakPolarHBondContact CA-O 3.34Å; E131-R141 HydrophobicContact CG-CB 4.23Å; E131-R141 HydrophobicContact CG-CG 3.83Å; E131-R141 IonicContact OE1-NE 3.85Å |
| 132 | F | 93.9 | Very high | 92.1 | Very high | 18 Ų | 18 | 72.7 Ų | 72.7 | 8% | 0.079 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 153.1 | -177.3 | 61.8 | -86.9 | 0 | 0 | 0 | 111.3 | Y121 Y126 P134 C140 V148 | Y121-F132 AromaticContact CD1-CE2 3.49Å; Y121-F132 HydrophobicContact CD1-CE2 3.49Å; Y121-F132 VanDerWaalsContact CD1-CE2 3.49Å; Y121-F132 AromaticContact CD1-CZ 3.96Å; Y121-F132 HydrophobicContact CD1-CZ 3.96Å; Y121-F132 HydrophobicContact CE1-CE2 4.09Å; Y121-F132 AromaticContact CG-CE2 3.89Å; Y121-F132 HydrophobicContact CG-CE2 3.89Å; Y121-F132 AromaticContact CG-CZ 3.85Å; Y121-F132 HydrophobicContact CG-CZ 3.85Å; Y126-F132 HydrophobicContact CD1-CB 4Å; Y126-F132 AromaticContact CD1-CD1 3.36Å; Y126-F132 HydrophobicContact CD1-CD1 3.36Å; Y126-F132 HydrophobicContact CD1-CD2 4.31Å; Y126-F132 AromaticContact CD1-CE1 3.79Å; Y126-F132 HydrophobicContact CD1-CE1 3.79Å; Y126-F132 AromaticContact CD1-CG 3.64Å; Y126-F132 HydrophobicContact CD1-CG 3.64Å; Y126-F132 HydrophobicContact CD1-CZ 4.41Å; Y126-F132 HydrophobicContact CD2-CD1 4.16Å; Y126-F132 AromaticContact CD2-CE1 3.73Å; Y126-F132 HydrophobicContact CD2-CE1 3.73Å; Y126-F132 HydrophobicContact CD2-CE2 4.27Å; Y126-F132 AromaticContact CD2-CZ 3.77Å; Y126-F132 HydrophobicContact CD2-CZ 3.77Å; Y126-F132 HydrophobicContact CE1-CB 3.54Å; Y126-F132 AromaticContact CE1-CD1 3.57Å; Y126-F132 HydrophobicContact CE1-CD1 3.57Å; Y126-F132 AromaticContact CE1-CD2 3.67Å; Y126-F132 HydrophobicContact CE1-CD2 3.67Å; Y126-F132 HydrophobicContact CE1-CE1 4.11Å; Y126-F132 HydrophobicContact CE1-CE2 4.19Å; Y126-F132 AromaticContact CE1-CG 3.31Å; Y126-F132 HydrophobicContact CE1-CG 3.31Å; Y126-F132 HydrophobicContact CE1-CZ 4.38Å; Y126-F132 HydrophobicContact CE2-CD1 4.36Å; Y126-F132 HydrophobicContact CE2-CD2 4.09Å; Y126-F132 HydrophobicContact CE2-CE1 4.07Å; Y126-F132 AromaticContact CE2-CE2 3.79Å; Y126-F132 HydrophobicContact CE2-CE2 3.79Å; Y126-F132 HydrophobicContact CE2-CG 4.36Å; Y126-F132 AromaticContact CE2-CZ 3.76Å; Y126-F132 HydrophobicContact CE2-CZ 3.76Å; Y126-F132 AromaticContact CG-CD1 3.66Å; Y126-F132 HydrophobicContact CG-CD1 3.66Å; Y126-F132 AromaticContact CG-CE1 3.57Å; Y126-F132 HydrophobicContact CG-CE1 3.57Å; Y126-F132 HydrophobicContact CG-CG 4.27Å; Y126-F132 HydrophobicContact CG-CZ 4.11Å; Y126-F132 AromaticContact CZ-CD2 3.52Å; Y126-F132 AromaticContact CZ-CE2 3.71Å; Y126-F132 AromaticContact CZ-CG 3.7Å; F132-P134 HydrophobicContact CD2-CG 3.76Å; F132-P134 HydrophobicContact CE2-CG 3.7Å; F132-P134 WeakPolarHBondContact O-CD 3.06Å; F132-C140 HydrophobicContact CD1-CB 4.31Å; F132-C140 HydrophobicContact CD2-CB 3.95Å; F132-C140 HydrophobicContact CE1-CB 3.88Å; F132-C140 HydrophobicContact CE2-CB 3.47Å; F132-C140 VanDerWaalsContact CE2-CB 3.47Å; F132-C140 HydrophobicContact CG-CB 4.35Å; F132-C140 HydrophobicContact CZ-CB 3.46Å; F132-C140 VanDerWaalsContact CZ-CB 3.46Å; F132-C140 PolarHBondContact N-O 2.88Å; F132-C140 PolarHBondContact O-N 2.84Å; F132-C140 VanDerWaalsContact O-O 3.1Å; F132-V148 HydrophobicContact CE1-CG1 4.11Å; F132-V148 HydrophobicContact CZ-CG1 3.57Å |
| 133 | K | 92.2 | Very high | 92.2 | Very high | 153 Ų | 153 | 66.9 Ų | 66.9 | 67% | 0.665 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 99.5 | 178.5 | -68.4 | -176.4 | 179.3 | -177 | 0 | 109.9 | S135 E138 W139 | K133-S135 PolarHBondContact O-N 2.85Å; K133-E138 WeakPolarHBondContact CA-O 3.44Å; K133-W139 HydrophobicContact CG-CB 4.36Å; K133-W139 HydrophobicContact CG-CG 4.42Å |
| 134 | P | 91.3 | Very high | 92 | Very high | 43 Ų | 43 | 66.6 Ų | 66.6 | 28% | 0.279 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | -30.6 | 175.4 | -23.4 | 34.3 | 0 | 0 | 0 | 113 | Y121 F132 E138 C140 | Y121-P134 HydrophobicContact CD1-CG 4.12Å; Y121-P134 HydrophobicContact CE1-CB 4.01Å; Y121-P134 HydrophobicContact CE1-CG 3.49Å; Y121-P134 VanDerWaalsContact CE1-CG 3.49Å; F132-P134 HydrophobicContact CD2-CG 3.76Å; F132-P134 HydrophobicContact CE2-CG 3.7Å; F132-P134 WeakPolarHBondContact O-CD 3.06Å; P134-E138 WeakPolarHBondContact CD-O 3.14Å; P134-E138 HydrophobicContact CG-CG 4.36Å; P134-C140 HydrophobicContact CG-CB 4.5Å |
| 135 | S | 90.4 | Very high | 91.7 | Very high | 42 Ų | 42 | 63.3 Ų | 63.3 | 29% | 0.294 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 166.6 | 177.6 | 73.5 | 0 | 0 | 0 | 0 | 109.9 | K133 C137 E138 | K133-S135 PolarHBondContact O-N 2.85Å; S135-C137 PolarHBondContact O-N 2.04Å; S135-C137 VanDerWaalsContact O-N 3.14Å; S135-E138 PolarHBondContact O-N 3.46Å; S135-E138 WeakPolarHBondContact OG-CB 3.22Å; S135-E138 PolarHBondContact OG-N 3.32Å |
| 136 | P | 90.4 | Very high | 91.4 | Very high | 67 Ų | 67 | 59.9 Ų | 59.9 | 44% | 0.435 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -28.2 | 178 | -24.5 | 33.5 | 0 | 0 | 0 | 113.8 | P167 C170 | P136-P167 VanDerWaalsContact CG-O 3.3Å; P136-P167 WeakPolarHBondContact CG-O 3.41Å; P136-C170 HydrophobicContact CB-CB 4.46Å; P136-C170 WeakPolarHBondContact O-CB 3.15Å |
| 137 | C | 91.5 | Very high | 91.3 | Very high | 38 Ų | 38 | 63.9 Ų | 63.9 | 26% | 0.257 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -18.6 | -178.8 | -69.3 | 0 | 0 | 0 | 0 | 114.7 | S135 S153 C170 | S135-C137 PolarHBondContact O-N 2.04Å; S135-C137 VanDerWaalsContact O-N 3.14Å; C137-S153 PolarHBondContact O-N 2.58Å; C137-S153 PolarHBondContact O-OG 2.02Å; C137-C170 WeakPolarHBondContact CA-SG 2.99Å; C137-C170 HydrophobicContact CB-CB 3.82Å; C137-C170 WeakPolarHBondContact CB-SG 3.05Å; C137-C170 WeakPolarHBondContact SG-CA 3.39Å; C137-C170 WeakPolarHBondContact SG-CB 3.43Å; C137-C170 CovalentContact SG-SG 2.03Å; C137-C170 PolarHBondContact SG-SG 3.05Å |
| 138 | E | 92.6 | Very high | 91.4 | Very high | 26 Ų | 26 | 58.2 Ų | 58.2 | 12% | 0.121 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 123.1 | -172.1 | -168.8 | -178.4 | 176 | 0 | 0 | 108.9 | Y121 R122 K133 P134 S135 C150 | Y121-E138 PolarHBondContact OH-OE1 3.45Å; R122-E138 IonicContact CZ-OE2 3.45Å; R122-E138 IonicContact NH1-OE2 2.87Å; R122-E138 IonicContact NH2-OE1 2.96Å; R122-E138 PolarHBondContact NH2-OE1 3.07Å; R122-E138 IonicContact NH2-OE2 2.8Å; R122-E138 PolarHBondContact NH2-OE2 3.27Å; K133-E138 WeakPolarHBondContact CA-O 3.44Å; P134-E138 WeakPolarHBondContact CD-O 3.14Å; P134-E138 HydrophobicContact CG-CG 4.36Å; S135-E138 PolarHBondContact O-N 3.46Å; S135-E138 WeakPolarHBondContact OG-CB 3.22Å; S135-E138 PolarHBondContact OG-N 3.32Å; E138-C150 HydrophobicContact CG-CB 4.37Å |
| 139 | W | 92.7 | Very high | 91.5 | Very high | 84 Ų | 84 | 60.7 Ų | 60.7 | 32% | 0.318 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 130.1 | 173.3 | 177.5 | 88.4 | 0 | 0 | 0 | 108.7 | E131 K133 R141 C150 V151 | E131-W139 HydrophobicContact CB-CZ2 4.08Å; E131-W139 HydrophobicContact CG-CH2 4.3Å; E131-W139 HydrophobicContact CG-CZ2 3.59Å; E131-W139 WeakPolarHBondContact OE2-CZ2 3.43Å; K133-W139 HydrophobicContact CG-CB 4.36Å; K133-W139 HydrophobicContact CG-CG 4.42Å; W139-R141 HydrophobicContact CH2-CB 3.99Å; W139-R141 HydrophobicContact CZ3-CB 4.17Å; W139-C150 CarbonylContact O-C 3.44Å; W139-C150 WeakPolarHBondContact O-CA 3.02Å; W139-V151 HydrophobicContact CE3-CB 4.47Å; W139-V151 HydrophobicContact CE3-CG2 4.37Å; W139-V151 PolarHBondContact N-O 2.81Å; W139-V151 PolarHBondContact O-N 2.03Å |
| 140 | C | 95.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 152.1 | -176.2 | -58.9 | 0 | 0 | 0 | 0 | 110.9 | E131 F132 P134 V148 H149 C150 | E131-C140 CarbonylContact C-O 3.51Å; E131-C140 WeakPolarHBondContact CA-O 3.34Å; F132-C140 HydrophobicContact CD1-CB 4.31Å; F132-C140 HydrophobicContact CD2-CB 3.95Å; F132-C140 HydrophobicContact CE1-CB 3.88Å; F132-C140 HydrophobicContact CE2-CB 3.47Å; F132-C140 VanDerWaalsContact CE2-CB 3.47Å; F132-C140 HydrophobicContact CG-CB 4.35Å; F132-C140 HydrophobicContact CZ-CB 3.46Å; F132-C140 VanDerWaalsContact CZ-CB 3.46Å; F132-C140 PolarHBondContact N-O 2.88Å; F132-C140 PolarHBondContact O-N 2.84Å; F132-C140 VanDerWaalsContact O-O 3.1Å; P134-C140 HydrophobicContact CG-CB 4.5Å; C140-V148 HydrophobicContact CB-CG1 3.8Å; C140-H149 CarbonylContact C-O 3.5Å; C140-H149 VanDerWaalsContact CA-O 3.27Å; C140-H149 WeakPolarHBondContact CA-O 3.43Å; C140-C150 HydrophobicContact CB-CB 4.1Å; C140-C150 WeakPolarHBondContact CB-SG 3.3Å; C140-C150 WeakPolarHBondContact SG-CB 3.27Å; C140-C150 CovalentContact SG-SG 2.04Å; C140-C150 PolarHBondContact SG-SG 2.84Å |
| 141 | R | 94.9 | Very high | 91.7 | Very high | 74 Ų | 74 | 59.5 Ų | 59.5 | 28% | 0.279 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 135.5 | 175.6 | -173.1 | 174 | -171.3 | -134.4 | 13.1 | 110.3 | E130 E131 W139 E143 V148 H149 | E130-R141 WeakPolarHBondContact O-CA 3.28Å; E131-R141 HydrophobicContact CG-CB 4.23Å; E131-R141 HydrophobicContact CG-CG 3.83Å; E131-R141 IonicContact OE1-NE 3.85Å; W139-R141 HydrophobicContact CH2-CB 3.99Å; W139-R141 HydrophobicContact CZ3-CB 4.17Å; R141-E143 IonicContact CZ-OE1 3.85Å; R141-E143 IonicContact NE-OE1 3.71Å; R141-E143 IonicContact NH1-OE1 2.89Å; R141-E143 PolarHBondContact NH1-OE1 3.19Å; R141-E143 IonicContact NH1-OE2 2.75Å; R141-E143 PolarHBondContact O-N 3.47Å; R141-V148 WeakPolarHBondContact O-CA 3.4Å; R141-H149 PolarHBondContact N-O 2.76Å; R141-H149 PolarHBondContact O-N 3.42Å |
| 142 | C | 93.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 111.9 | 171.6 | 174.9 | 0 | 0 | 0 | 0 | 109.4 | C119 K127 L129 E130 | C119-C142 HydrophobicContact CB-CB 3.69Å; C119-C142 WeakPolarHBondContact CB-SG 3.14Å; C119-C142 PolarHBondContact N-SG 3.01Å; C119-C142 WeakPolarHBondContact SG-CA 3.38Å; C119-C142 WeakPolarHBondContact SG-CB 3.48Å; C119-C142 CovalentContact SG-SG 2.02Å; C119-C142 PolarHBondContact SG-SG 2.76Å; K127-C142 VanDerWaalsContact O-CB 3.22Å; K127-C142 WeakPolarHBondContact O-CB 3.23Å; K127-C142 PolarHBondContact O-SG 3.39Å; L129-C142 VanDerWaalsContact CA-O 3.23Å; L129-C142 WeakPolarHBondContact CA-O 3.43Å; L129-C142 PolarHBondContact N-O 2.88Å; E130-C142 PolarHBondContact O-N 2.94Å |
| 143 | E | 91.3 | Very high | 91.5 | Very high | 51 Ų | 51 | 60.9 Ų | 60.9 | 24% | 0.238 | 33% | 0.327 | C | S | . | . | trans | -81.7 | 159.2 | 178.6 | -75.4 | -62.9 | 147.5 | 0 | 0 | 111.2 | R141 N145 N146 E147 H149 | R141-E143 IonicContact CZ-OE1 3.85Å; R141-E143 IonicContact NE-OE1 3.71Å; R141-E143 IonicContact NH1-OE1 2.89Å; R141-E143 PolarHBondContact NH1-OE1 3.19Å; R141-E143 IonicContact NH1-OE2 2.75Å; R141-E143 PolarHBondContact O-N 3.47Å; E143-N145 WeakPolarHBondContact CB-OD1 3.28Å; E143-N145 PolarHBondContact O-N 2.78Å; E143-N146 PolarHBondContact O-N 3.22Å; E143-E147 PolarHBondContact N-O 3.27Å; E143-H149 HydrophobicContact CG-CB 4.35Å | ||
| 144 | P | 87.3 | Confident | 91.4 | Very high | 58 Ų | 58 | 61.1 Ų | 61.1 | 38% | 0.377 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -13.8 | -179.6 | -23.1 | 33.3 | 0 | 0 | 0 | 114.6 | K99 I128 L129 N146 | K99-P144 WeakPolarHBondContact CE-O 2.93Å; K99-P144 PolarHBondContact NZ-O 3.22Å; I128-P144 HydrophobicContact CG2-CB 4.12Å; I128-P144 HydrophobicContact CG2-CG 4.16Å; L129-P144 HydrophobicContact CD2-CG 4.07Å; P144-N146 PolarHBondContact O-N 2.85Å |
| 145 | N | 84.1 | Confident | 91.4 | Very high | 67 Ų | 67 | 61.7 Ų | 61.7 | 36% | 0.358 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | 2.9 | 173.8 | 66.7 | -10.7 | 0 | 0 | 0 | 113.5 | E143 E147 | E143-N145 WeakPolarHBondContact CB-OD1 3.28Å; E143-N145 PolarHBondContact O-N 2.78Å; N145-E147 PolarHBondContact ND2-OE2 2.99Å; N145-E147 PolarHBondContact O-N 3.49Å; N145-E147 WeakPolarHBondContact OD1-CB 3.48Å; N145-E147 PolarHBondContact OD1-N 2.96Å |
| 146 | N | 85.4 | Confident | 91.3 | Very high | 25 Ų | 25 | 64 Ų | 64 | 13% | 0.134 | 36% | 0.361 | C | S | . | . | S | Bend | trans | 68.8 | 16.9 | -175 | -56.5 | 90.5 | 0 | 0 | 0 | 114.4 | K99 K116 F118 E143 P144 | K99-N146 VanDerWaalsContact CD-OD1 3.3Å; K99-N146 WeakPolarHBondContact CD-OD1 3.33Å; K99-N146 WeakPolarHBondContact CE-OD1 3.37Å; K99-N146 WeakPolarHBondContact CG-OD1 3.33Å; K116-N146 VanDerWaalsContact C-ND2 3.31Å; K116-N146 PolarHBondContact O-ND2 2.81Å; K116-N146 PolarHBondContact O-OD1 3.17Å; F118-N146 PolarHBondContact N-ND2 2.97Å; F118-N146 PolarHBondContact O-ND2 2.85Å; E143-N146 PolarHBondContact O-N 3.22Å; P144-N146 PolarHBondContact O-N 2.85Å |
| 147 | E | 88.3 | Confident | 91.3 | Very high | 114 Ų | 114 | 65.9 Ų | 65.9 | 53% | 0.533 | 37% | 0.371 | S | S | . | . | trans | -103.6 | 151 | 173.8 | -60.8 | 179.7 | 161.6 | 0 | 0 | 110.6 | C119 E143 N145 | C119-E147 PolarHBondContact SG-O 3.43Å; E143-E147 PolarHBondContact N-O 3.27Å; N145-E147 PolarHBondContact ND2-OE2 2.99Å; N145-E147 PolarHBondContact O-N 3.49Å; N145-E147 WeakPolarHBondContact OD1-CB 3.48Å; N145-E147 PolarHBondContact OD1-N 2.96Å | ||
| 148 | V | 93.5 | Very high | 91.2 | Very high | 36 Ų | 36 | 65.7 Ų | 65.7 | 22% | 0.218 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 117.1 | 179 | -178.6 | 0 | 0 | 0 | 0 | 107.9 | C119 Y121 F132 C140 R141 | C119-V148 HydrophobicContact CB-CG2 3.52Å; Y121-V148 HydrophobicContact CD2-CB 4.08Å; Y121-V148 HydrophobicContact CD2-CG1 3.76Å; Y121-V148 HydrophobicContact CD2-CG2 4.24Å; Y121-V148 HydrophobicContact CE2-CG1 4.28Å; Y121-V148 HydrophobicContact CG-CG1 4.21Å; F132-V148 HydrophobicContact CE1-CG1 4.11Å; F132-V148 HydrophobicContact CZ-CG1 3.57Å; C140-V148 HydrophobicContact CB-CG1 3.8Å; R141-V148 WeakPolarHBondContact O-CA 3.4Å |
| 149 | H | 94.4 | Very high | 90.9 | Very high | 108 Ų | 108 | 70.5 Ų | 70.5 | 50% | 0.5 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 114.9 | 171.3 | -88.8 | -89.5 | 0 | 0 | 0 | 109.5 | C140 R141 E143 | C140-H149 CarbonylContact C-O 3.5Å; C140-H149 VanDerWaalsContact CA-O 3.27Å; C140-H149 WeakPolarHBondContact CA-O 3.43Å; R141-H149 PolarHBondContact N-O 2.76Å; R141-H149 PolarHBondContact O-N 3.42Å; E143-H149 HydrophobicContact CG-CB 4.35Å |
| 150 | C | 94.9 | Very high | 90.8 | Very high | 48 Ų | 48 | 66.6 Ų | 66.6 | 32% | 0.324 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 138.9 | 176.4 | -63.1 | 0 | 0 | 0 | 0 | 111 | E138 W139 C140 | E138-C150 HydrophobicContact CG-CB 4.37Å; W139-C150 CarbonylContact O-C 3.44Å; W139-C150 WeakPolarHBondContact O-CA 3.02Å; C140-C150 HydrophobicContact CB-CB 4.1Å; C140-C150 WeakPolarHBondContact CB-SG 3.3Å; C140-C150 WeakPolarHBondContact SG-CB 3.27Å; C140-C150 CovalentContact SG-SG 2.04Å; C140-C150 PolarHBondContact SG-SG 2.84Å |
| 151 | V | 93.8 | Very high | 90.5 | Very high | 89 Ų | 89 | 68.1 Ų | 68.1 | 54% | 0.539 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 128.5 | 173 | -176.2 | 0 | 0 | 0 | 0 | 107.7 | W139 | W139-V151 HydrophobicContact CE3-CB 4.47Å; W139-V151 HydrophobicContact CE3-CG2 4.37Å; W139-V151 PolarHBondContact N-O 2.81Å; W139-V151 PolarHBondContact O-N 2.03Å |
| 152 | V | 93.3 | Very high | 90.3 | Very high | 97 Ų | 97 | 67 Ų | 67 | 59% | 0.588 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96 | 131.9 | 174.1 | -176.3 | 0 | 0 | 0 | 0 | 108.1 | ||
| 153 | S | 90.1 | Very high | 90.2 | Very high | 58 Ų | 58 | 69 Ų | 69 | 41% | 0.406 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -79.3 | 125 | 178.9 | -55.8 | 0 | 0 | 0 | 0 | 110.2 | C137 | C137-S153 PolarHBondContact O-N 2.58Å; C137-S153 PolarHBondContact O-OG 2.02Å |
| 154 | D | 89.9 | Confident | 90.3 | Very high | 158 Ų | 158 | 69.3 Ų | 69.3 | 85% | 0.845 | 41% | 0.405 | S | S | * | . | P | Polyproline II helix | trans | -87.7 | 133.5 | 168.3 | -70.3 | -40 | 0 | 0 | 0 | 110.1 | ||
| 155 | C | 90.8 | Very high | 90.5 | Very high | 55 Ų | 55 | 74.9 Ų | 74.9 | 37% | 0.372 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -90.6 | 136 | -178.8 | -63.1 | 0 | 0 | 0 | 0 | 111.6 | C171 | C155-C171 WeakPolarHBondContact CA-SG 2.88Å; C155-C171 HydrophobicContact CB-CB 3.73Å; C155-C171 WeakPolarHBondContact CB-SG 3.26Å; C155-C171 WeakPolarHBondContact SG-CA 3.06Å; C155-C171 WeakPolarHBondContact SG-CB 2.97Å; C155-C171 CovalentContact SG-SG 2.05Å; C155-C171 PolarHBondContact SG-SG 2.92Å |
| 156 | A | 89.9 | Confident | 90.8 | Very high | 90 Ų | 90 | 74.3 Ų | 74.3 | 74% | 0.744 | 42% | 0.415 | S | S | * | . | P | Polyproline II helix | trans | -63.4 | 149.4 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | P158 | A156-P158 WeakPolarHBondContact O-CD 3.46Š|
| 157 | V | 88.9 | Confident | 90.8 | Very high | 107 Ų | 107 | 78.6 Ų | 78.6 | 65% | 0.648 | 44% | 0.444 | S | S | * | . | P | Polyproline II helix | trans | -64.7 | 122.6 | 176.1 | 180 | 0 | 0 | 0 | 0 | 108.7 | W208 | V157-W208 HydrophobicContact CG1-CH2 4.18Å; V157-W208 HydrophobicContact CG1-CZ2 3.71Å |
| 158 | P | 89.5 | Confident | 90.7 | Very high | 34 Ų | 34 | 81.1 Ų | 81.1 | 22% | 0.221 | 46% | 0.456 | C | S | . | . | P | Polyproline II helix | trans | -66.7 | 137.4 | -179.9 | 25 | -32 | 0 | 0 | 0 | 111.1 | A156 C160 P163 P172 | A156-P158 WeakPolarHBondContact O-CD 3.46Å; P158-C160 PolarHBondContact O-N 3.14Å; P158-P163 HydrophobicContact CB-CB 4.11Å; P158-P163 HydrophobicContact CG-CB 3.81Å; P158-P163 HydrophobicContact CG-CG 4.03Å; P158-P172 HydrophobicContact CG-CG 4.29Å |
| 159 | E | 87.2 | Confident | 90.5 | Very high | 127 Ų | 127 | 83.4 Ų | 83.4 | 59% | 0.593 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -84.3 | 43 | 179.7 | -60.6 | -173.9 | 157.8 | 0 | 0 | 112.9 | P178 | E159-P178 WeakPolarHBondContact O-CA 3.27Š|
| 160 | C | 89.7 | Confident | 90.3 | Very high | 3 Ų | 3 | 79.6 Ų | 79.6 | 2% | 0.02 | 45% | 0.449 | C | S | . | . | S | Bend | trans | -151.5 | 160.4 | 177.7 | 64 | 0 | 0 | 0 | 0 | 111.6 | P158 C174 N179 | P158-C160 PolarHBondContact O-N 3.14Å; C160-C174 HydrophobicContact CB-CB 3.71Å; C160-C174 WeakPolarHBondContact CB-SG 3.11Å; C160-C174 WeakPolarHBondContact SG-CB 3.03Å; C160-C174 CovalentContact SG-SG 2.02Å; C160-C174 PolarHBondContact SG-SG 2.05Å; C160-N179 WeakPolarHBondContact CB-ND2 3.02Å; C160-N179 WeakPolarHBondContact CB-OD1 3.46Å |
| 161 | V | 89.6 | Confident | 90.2 | Very high | 31 Ų | 31 | 79.3 Ų | 79.3 | 19% | 0.188 | 45% | 0.448 | C | S | . | . | S | Bend | trans | -84.1 | -12.3 | 178.1 | -61 | 0 | 0 | 0 | 0 | 113.8 | P163 N179 F181 I186 W208 | V161-P163 VanDerWaalsContact C-CD 3.43Å; V161-N179 WeakPolarHBondContact CG2-OD1 3.45Å; V161-N179 PolarHBondContact N-OD1 3.2Å; V161-F181 HydrophobicContact CB-CD2 3.82Å; V161-F181 HydrophobicContact CB-CE1 4.45Å; V161-F181 HydrophobicContact CB-CE2 3.35Å; V161-F181 HydrophobicContact CB-CZ 3.69Å; V161-F181 HydrophobicContact CG1-CD2 3.62Å; V161-F181 HydrophobicContact CG1-CE2 3.59Å; V161-F181 HydrophobicContact CG1-CG 4.49Å; V161-F181 HydrophobicContact CG1-CZ 4.41Å; V161-F181 HydrophobicContact CG2-CD1 4.25Å; V161-F181 HydrophobicContact CG2-CD2 3.98Å; V161-F181 HydrophobicContact CG2-CE1 4.01Å; V161-F181 HydrophobicContact CG2-CE2 3.76Å; V161-F181 HydrophobicContact CG2-CG 4.22Å; V161-F181 HydrophobicContact CG2-CZ 3.76Å; V161-I186 HydrophobicContact CG2-CD1 4.08Å; V161-I186 HydrophobicContact CG2-CG1 4.03Å; V161-I186 HydrophobicContact CG2-CG2 3.95Å; V161-W208 HydrophobicContact CG1-CB 4.33Å; V161-W208 WeakPolarHBondContact CG1-O 3.4Å |
| 162 | N | 90 | Very high | 90.1 | Very high | 50 Ų | 50 | 76 Ų | 76 | 27% | 0.267 | 43% | 0.427 | S | S | . | . | S | Bend | trans | -128.5 | 64.2 | -179.9 | 63 | -16.4 | 0 | 0 | 0 | 113.3 | N179 I186 | N162-N179 VanDerWaalsContact OD1-CG 3.31Å; N162-N179 PolarHBondContact OD1-ND2 3.13Å; N162-N179 PolarHBondContact OD1-OD1 2.91Å; N162-I186 HydrophobicContact CB-CD1 3.77Å |
| 163 | P | 92.9 | Very high | 90 | Very high | 43 Ų | 43 | 73.9 Ų | 73.9 | 28% | 0.279 | 41% | 0.412 | S | S | . | . | trans | -59.5 | 138.5 | 170.7 | 22.5 | -30.2 | 0 | 0 | 0 | 111.5 | P158 V161 P172 | P158-P163 HydrophobicContact CB-CB 4.11Å; P158-P163 HydrophobicContact CG-CB 3.81Å; P158-P163 HydrophobicContact CG-CG 4.03Å; V161-P163 VanDerWaalsContact C-CD 3.43Å; P163-P172 HydrophobicContact CB-CB 3.71Å; P163-P172 HydrophobicContact CB-CG 4.41Å | ||
| 164 | V | 93 | Very high | 90.1 | Very high | 58 Ų | 58 | 72.7 Ų | 72.7 | 35% | 0.352 | 40% | 0.404 | S | S | . | . | B | Isolated β-bridge | trans | -109.4 | 129.1 | 175.5 | -178.6 | 0 | 0 | 0 | 0 | 109.2 | P172 I173 K175 | V164-P172 WeakPolarHBondContact O-CA 3.02Å; V164-I173 PolarHBondContact N-O 2.96Å; V164-I173 PolarHBondContact O-N 3.2Å; V164-K175 HydrophobicContact CG2-CG 4.45Å |
| 165 | Y | 91.4 | Very high | 90 | Very high | 174 Ų | 174 | 70.8 Ų | 70.8 | 68% | 0.682 | 39% | 0.388 | S | S | * | . | trans | -93.1 | 123.8 | 174.5 | -66.4 | -92.3 | 0 | 0 | 0 | 109.8 | P172 | Y165-P172 HydrophobicContact CD1-CB 3.9Å; Y165-P172 HydrophobicContact CD1-CG 4.36Å; Y165-P172 HydrophobicContact CD2-CB 4.35Å; Y165-P172 HydrophobicContact CE1-CB 3.68Å; Y165-P172 HydrophobicContact CE1-CG 3.7Å; Y165-P172 HydrophobicContact CE2-CB 4.13Å; Y165-P172 HydrophobicContact CG-CB 4.24Å | ||
| 166 | E | 89.8 | Confident | 89.8 | Confident | 56 Ų | 56 | 75.4 Ų | 75.4 | 26% | 0.262 | 40% | 0.404 | S | S | . | . | trans | -109.1 | 143 | 176 | -64.8 | -167.3 | 166.3 | 0 | 0 | 110.3 | E168 Q169 K175 | E166-E168 VanDerWaalsContact C-N 3.26Å; E166-E168 PolarHBondContact O-N 2.96Å; E166-Q169 PolarHBondContact O-N 3.49Å; E166-Q169 PolarHBondContact OE2-NE2 3.26Å; E166-K175 WeakPolarHBondContact OE1-CE 3.44Å; E166-K175 IonicContact OE1-NZ 3.92Å; E166-K175 PolarHBondContact OE1-NZ 2.8Å | ||
| 167 | P | 86.5 | Confident | 89.7 | Confident | 115 Ų | 115 | 72.3 Ų | 72.3 | 75% | 0.747 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -24.9 | -174.2 | 26 | -34.5 | 0 | 0 | 0 | 114 | P136 | P136-P167 VanDerWaalsContact CG-O 3.3Å; P136-P167 WeakPolarHBondContact CG-O 3.41Å |
| 168 | E | 85.9 | Confident | 89.6 | Confident | 166 Ų | 166 | 69.8 Ų | 69.8 | 78% | 0.776 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -12.8 | -179.9 | -64.2 | -63 | 140.5 | 0 | 0 | 112.9 | E166 | E166-E168 VanDerWaalsContact C-N 3.26Å; E166-E168 PolarHBondContact O-N 2.96Å |
| 169 | Q | 88.4 | Confident | 89.6 | Confident | 85 Ų | 85 | 68.4 Ų | 68.4 | 40% | 0.397 | 36% | 0.357 | S | S | . | . | trans | -115.9 | 139.8 | -175.1 | -61.3 | -172.5 | 20.5 | 0 | 0 | 110.1 | E166 I173 | E166-Q169 PolarHBondContact O-N 3.49Å; E166-Q169 PolarHBondContact OE2-NE2 3.26Å; Q169-I173 VanDerWaalsContact OE1-CG2 3.22Å | ||
| 170 | C | 91.1 | Very high | 89.6 | Confident | 28 Ų | 28 | 62.4 Ų | 62.4 | 19% | 0.189 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -66.9 | -46.3 | 173.7 | 179.3 | 0 | 0 | 0 | 0 | 111.9 | P136 C137 | P136-C170 HydrophobicContact CB-CB 4.46Å; P136-C170 WeakPolarHBondContact O-CB 3.15Å; C137-C170 WeakPolarHBondContact CA-SG 2.99Å; C137-C170 HydrophobicContact CB-CB 3.82Å; C137-C170 WeakPolarHBondContact CB-SG 3.05Å; C137-C170 WeakPolarHBondContact SG-CA 3.39Å; C137-C170 WeakPolarHBondContact SG-CB 3.43Å; C137-C170 CovalentContact SG-SG 2.03Å; C137-C170 PolarHBondContact SG-SG 3.05Å |
| 171 | C | 92.3 | Very high | 89.6 | Confident | 42 Ų | 42 | 66.6 Ų | 66.6 | 28% | 0.284 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -100.4 | 144.8 | -168.2 | -62 | 0 | 0 | 0 | 0 | 112.1 | C155 | C155-C171 WeakPolarHBondContact CA-SG 2.88Å; C155-C171 HydrophobicContact CB-CB 3.73Å; C155-C171 WeakPolarHBondContact CB-SG 3.26Å; C155-C171 WeakPolarHBondContact SG-CA 3.06Å; C155-C171 WeakPolarHBondContact SG-CB 2.97Å; C155-C171 CovalentContact SG-SG 2.05Å; C155-C171 PolarHBondContact SG-SG 2.92Å |
| 172 | P | 92.8 | Very high | 89.5 | Confident | 18 Ų | 18 | 65.3 Ų | 65.3 | 12% | 0.117 | 34% | 0.34 | C | S | . | . | trans | -65.7 | 146.3 | 174.5 | 25.7 | -31.6 | 0 | 0 | 0 | 111.1 | P158 P163 V164 Y165 | P158-P172 HydrophobicContact CG-CG 4.29Å; P163-P172 HydrophobicContact CB-CB 3.71Å; P163-P172 HydrophobicContact CB-CG 4.41Å; V164-P172 WeakPolarHBondContact O-CA 3.02Å; Y165-P172 HydrophobicContact CD1-CB 3.9Å; Y165-P172 HydrophobicContact CD1-CG 4.36Å; Y165-P172 HydrophobicContact CD2-CB 4.35Å; Y165-P172 HydrophobicContact CE1-CB 3.68Å; Y165-P172 HydrophobicContact CE1-CG 3.7Å; Y165-P172 HydrophobicContact CE2-CB 4.13Å; Y165-P172 HydrophobicContact CG-CB 4.24Å | ||
| 173 | I | 91.5 | Very high | 89.1 | Confident | 53 Ų | 53 | 66.4 Ų | 66.4 | 27% | 0.272 | 36% | 0.363 | S | S | . | . | B | Isolated β-bridge | trans | -120.3 | 144.9 | 178.7 | 59.7 | 168.3 | 0 | 0 | 0 | 112 | V164 Q169 K175 | V164-I173 PolarHBondContact N-O 2.96Å; V164-I173 PolarHBondContact O-N 3.2Å; Q169-I173 VanDerWaalsContact OE1-CG2 3.22Å; I173-K175 HydrophobicContact CD1-CG 4.18Å; I173-K175 HydrophobicContact CG1-CG 4.34Å; I173-K175 PolarHBondContact O-N 3.45Å |
| 174 | C | 91.5 | Very high | 88.7 | Confident | 34 Ų | 34 | 70.9 Ų | 70.9 | 23% | 0.23 | 39% | 0.389 | C | S | . | . | trans | -90.7 | 87.5 | 172 | -60.4 | 0 | 0 | 0 | 0 | 109.6 | C160 H176 G177 | C160-C174 HydrophobicContact CB-CB 3.71Å; C160-C174 WeakPolarHBondContact CB-SG 3.11Å; C160-C174 WeakPolarHBondContact SG-CB 3.03Å; C160-C174 CovalentContact SG-SG 2.02Å; C160-C174 PolarHBondContact SG-SG 2.05Å; C174-H176 PolarHBondContact O-N 3.13Å; C174-H176 VanDerWaalsContact O-N 3.1Å; C174-G177 PolarHBondContact O-N 2.66Å | ||
| 175 | K | 88.2 | Confident | 88.4 | Confident | 117 Ų | 117 | 71.3 Ų | 71.3 | 51% | 0.509 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -34 | -175.3 | -67.9 | -164.9 | 175.7 | -165.7 | 0 | 114.4 | V164 E166 I173 | V164-K175 HydrophobicContact CG2-CG 4.45Å; E166-K175 WeakPolarHBondContact OE1-CE 3.44Å; E166-K175 IonicContact OE1-NZ 3.92Å; E166-K175 PolarHBondContact OE1-NZ 2.8Å; I173-K175 HydrophobicContact CD1-CG 4.18Å; I173-K175 HydrophobicContact CG1-CG 4.34Å; I173-K175 PolarHBondContact O-N 3.45Å |
| 176 | H | 86.1 | Confident | 88.3 | Confident | 153 Ų | 153 | 66.1 Ų | 66.1 | 71% | 0.708 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.9 | 11.8 | -176.7 | -54 | 106.4 | 0 | 0 | 0 | 113.1 | C174 | C174-H176 PolarHBondContact O-N 3.13Å; C174-H176 VanDerWaalsContact O-N 3.1Å |
| 177 | G | 86.6 | Confident | 88.2 | Confident | 24 Ų | 24 | 63.7 Ų | 63.7 | 25% | 0.247 | 36% | 0.364 | C | S | . | . | trans | 71.1 | -164.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | C174 N179 | C174-G177 PolarHBondContact O-N 2.66Å; G177-N179 PolarHBondContact O-ND2 3.12Å; G177-N179 VanDerWaalsContact O-ND2 3.12Å | ||
| 178 | P | 88.6 | Confident | 88.4 | Confident | 54 Ų | 54 | 60.8 Ų | 60.8 | 35% | 0.351 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -63.3 | 136.5 | -177.1 | -19.9 | 31.4 | 0 | 0 | 0 | 112.1 | E159 A189 | E159-P178 WeakPolarHBondContact O-CA 3.27Å; P178-A189 HydrophobicContact CB-CB 3.86Å; P178-A189 VanDerWaalsContact O-CB 3.3Å; P178-A189 WeakPolarHBondContact O-CB 3.48Å; P178-A189 PolarHBondContact O-N 2.02Å |
| 179 | N | 88.1 | Confident | 88.5 | Confident | 5 Ų | 5 | 54.2 Ų | 54.2 | 3% | 0.027 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 165.2 | -178.7 | 56.1 | 57.3 | 0 | 0 | 0 | 111.3 | C160 V161 N162 G177 I186 I187 W208 | C160-N179 WeakPolarHBondContact CB-ND2 3.02Å; C160-N179 WeakPolarHBondContact CB-OD1 3.46Å; V161-N179 WeakPolarHBondContact CG2-OD1 3.45Å; V161-N179 PolarHBondContact N-OD1 3.2Å; N162-N179 VanDerWaalsContact OD1-CG 3.31Å; N162-N179 PolarHBondContact OD1-ND2 3.13Å; N162-N179 PolarHBondContact OD1-OD1 2.91Å; G177-N179 PolarHBondContact O-ND2 3.12Å; G177-N179 VanDerWaalsContact O-ND2 3.12Å; N179-I186 HydrophobicContact CB-CG2 3.73Å; N179-I187 VanDerWaalsContact CA-O 3.32Å; N179-I187 WeakPolarHBondContact CA-O 3.45Å; N179-I187 WeakPolarHBondContact CB-O 2.99Å; N179-W208 WeakPolarHBondContact O-CB 3.3Å |
| 180 | C | 88.5 | Confident | 88.3 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.007 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 166.6 | 178 | 62.9 | 0 | 0 | 0 | 0 | 111.5 | I187 C203 K210 | C180-I187 PolarHBondContact N-O 2.7Å; C180-I187 VanDerWaalsContact N-O 3.15Å; C180-I187 PolarHBondContact O-N 3.1Å; C180-C203 HydrophobicContact CB-CB 4.43Å; C180-C203 WeakPolarHBondContact CB-SG 3.49Å; C180-C203 VanDerWaalsContact SG-CA 3.54Å; C180-C203 WeakPolarHBondContact SG-CB 3.32Å; C180-C203 CovalentContact SG-SG 2.03Å; C180-C203 PolarHBondContact SG-SG 3.12Å; C180-K210 WeakPolarHBondContact CB-O 3.03Å |
| 181 | F | 88.3 | Confident | 88 | Confident | 92 Ų | 92 | 57.4 Ų | 57.4 | 40% | 0.404 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 125.7 | 177.6 | -72.2 | -68.7 | 0 | 0 | 0 | 111.9 | V161 I186 P211 A212 | V161-F181 HydrophobicContact CB-CD2 3.82Å; V161-F181 HydrophobicContact CB-CE1 4.45Å; V161-F181 HydrophobicContact CB-CE2 3.35Å; V161-F181 HydrophobicContact CB-CZ 3.69Å; V161-F181 HydrophobicContact CG1-CD2 3.62Å; V161-F181 HydrophobicContact CG1-CE2 3.59Å; V161-F181 HydrophobicContact CG1-CG 4.49Å; V161-F181 HydrophobicContact CG1-CZ 4.41Å; V161-F181 HydrophobicContact CG2-CD1 4.25Å; V161-F181 HydrophobicContact CG2-CD2 3.98Å; V161-F181 HydrophobicContact CG2-CE1 4.01Å; V161-F181 HydrophobicContact CG2-CE2 3.76Å; V161-F181 HydrophobicContact CG2-CG 4.22Å; V161-F181 HydrophobicContact CG2-CZ 3.76Å; F181-I186 HydrophobicContact CD1-CG1 4.01Å; F181-I186 HydrophobicContact CE1-CD1 4.18Å; F181-I186 HydrophobicContact CE1-CG1 3.84Å; F181-P211 WeakPolarHBondContact O-CA 3.36Å; F181-A212 WeakPolarHBondContact O-CB 3.47Å; F181-A212 PolarHBondContact O-N 2.79Å |
| 182 | A | 87.5 | Confident | 87.6 | Confident | 4 Ų | 4 | 60.6 Ų | 60.6 | 3% | 0.033 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 88.1 | 166 | 0 | 0 | 0 | 0 | 0 | 108.8 | T184 T185 I187 V195 C201 A212 | A182-T184 PolarHBondContact O-N 3.12Å; A182-T184 VanDerWaalsContact O-N 3.12Å; A182-T185 PolarHBondContact N-O 3.01Å; A182-T185 PolarHBondContact O-N 3.4Å; A182-T185 VanDerWaalsContact O-N 3.13Å; A182-I187 HydrophobicContact CB-CD1 3.98Å; A182-I187 HydrophobicContact CB-CG1 4.05Å; A182-I187 HydrophobicContact CB-CG2 4.03Å; A182-V195 HydrophobicContact CB-CG2 4.02Å; A182-C201 HydrophobicContact CB-CB 3.82Å; A182-A212 HydrophobicContact CB-CB 3.8Å |
| 183 | G | 83.2 | Confident | 87.3 | Confident | 72 Ų | 72 | 62.1 Ų | 62.1 | 74% | 0.742 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.1 | -109.8 | -169.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 184 | T | 83.9 | Confident | 87.1 | Confident | 137 Ų | 137 | 65.3 Ų | 65.3 | 84% | 0.84 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.9 | -8.2 | 177.2 | 53.9 | 0 | 0 | 0 | 0 | 114 | A182 | A182-T184 PolarHBondContact O-N 3.12Å; A182-T184 VanDerWaalsContact O-N 3.12Å |
| 185 | T | 86.6 | Confident | 86.8 | Confident | 67 Ų | 67 | 65.7 Ų | 65.7 | 41% | 0.411 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 142.7 | -173.9 | -56.4 | 0 | 0 | 0 | 0 | 110.3 | A182 | A182-T185 PolarHBondContact N-O 3.01Å; A182-T185 PolarHBondContact O-N 3.4Å; A182-T185 VanDerWaalsContact O-N 3.13Å |
| 186 | I | 88.7 | Confident | 86.4 | Confident | 66 Ų | 66 | 64.7 Ų | 64.7 | 34% | 0.338 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 126.7 | 176.4 | -58.8 | 173.5 | 0 | 0 | 0 | 108.7 | V161 N162 N179 F181 | V161-I186 HydrophobicContact CG2-CD1 4.08Å; V161-I186 HydrophobicContact CG2-CG1 4.03Å; V161-I186 HydrophobicContact CG2-CG2 3.95Å; N162-I186 HydrophobicContact CB-CD1 3.77Å; N179-I186 HydrophobicContact CB-CG2 3.73Å; F181-I186 HydrophobicContact CD1-CG1 4.01Å; F181-I186 HydrophobicContact CE1-CD1 4.18Å; F181-I186 HydrophobicContact CE1-CG1 3.84Å |
| 187 | I | 88.7 | Confident | 86.1 | Confident | 4 Ų | 4 | 63.5 Ų | 63.5 | 2% | 0.021 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 145.3 | 178.7 | 63.4 | 165.4 | 0 | 0 | 0 | 111.3 | N179 C180 A182 V193 V195 C201 C203 A212 | N179-I187 VanDerWaalsContact CA-O 3.32Å; N179-I187 WeakPolarHBondContact CA-O 3.45Å; N179-I187 WeakPolarHBondContact CB-O 2.99Å; C180-I187 PolarHBondContact N-O 2.7Å; C180-I187 VanDerWaalsContact N-O 3.15Å; C180-I187 PolarHBondContact O-N 3.1Å; A182-I187 HydrophobicContact CB-CD1 3.98Å; A182-I187 HydrophobicContact CB-CG1 4.05Å; A182-I187 HydrophobicContact CB-CG2 4.03Å; I187-V193 HydrophobicContact CB-CB 4.48Å; I187-V193 HydrophobicContact CB-CG2 4.26Å; I187-V193 HydrophobicContact CG2-CB 4.05Å; I187-V193 HydrophobicContact CG2-CG1 4.23Å; I187-V193 HydrophobicContact CG2-CG2 4.31Å; I187-V195 HydrophobicContact CG2-CG2 4.38Å; I187-C201 HydrophobicContact CD1-CB 3.92Å; I187-C203 HydrophobicContact CD1-CB 3.99Å; I187-C203 HydrophobicContact CG1-CB 4.11Å; I187-A212 HydrophobicContact CD1-CB 3.65Å; I187-A212 HydrophobicContact CG1-CB 4.25Å |
| 188 | P | 89.2 | Confident | 85.9 | Confident | 55 Ų | 55 | 64 Ų | 64 | 36% | 0.357 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 147.3 | 178.2 | 28.2 | -34.5 | 0 | 0 | 0 | 112.1 | K191 | P188-K191 HydrophobicContact CG-CB 4.4Å; P188-K191 HydrophobicContact CG-CD 4.32Å |
| 189 | A | 88.6 | Confident | 85.8 | Confident | 28 Ų | 28 | 62.1 Ų | 62.1 | 23% | 0.231 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | 144.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | P178 K191 | P178-A189 HydrophobicContact CB-CB 3.86Å; P178-A189 VanDerWaalsContact O-CB 3.3Å; P178-A189 WeakPolarHBondContact O-CB 3.48Å; P178-A189 PolarHBondContact O-N 2.02Å; A189-K191 VanDerWaalsContact C-N 3.26Å; A189-K191 PolarHBondContact O-N 2.82Å |
| 190 | G | 84.9 | Confident | 85.8 | Confident | 39 Ų | 39 | 63.7 Ų | 63.7 | 40% | 0.402 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.2 | -1.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 116 | C203 | G190-C203 PolarHBondContact N-O 2.77Š|
| 191 | K | 84.2 | Confident | 85.8 | Confident | 140 Ų | 140 | 63.7 Ų | 63.7 | 61% | 0.609 | 37% | 0.366 | S | S | * | . | trans | -113.4 | 146 | 176.4 | -66.4 | -177.2 | -179.5 | 177.8 | 0 | 111.6 | P188 A189 | P188-K191 HydrophobicContact CG-CB 4.4Å; P188-K191 HydrophobicContact CG-CD 4.32Å; A189-K191 VanDerWaalsContact C-N 3.26Å; A189-K191 PolarHBondContact O-N 2.82Å | ||
| 192 | E | 84.1 | Confident | 85.8 | Confident | 110 Ų | 110 | 64.7 Ų | 64.7 | 51% | 0.514 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 124.5 | 170.2 | -64.7 | -173.5 | -177.4 | 0 | 0 | 108.9 | I200 R202 | E192-I200 HydrophobicContact CB-CG2 4.21Å; E192-R202 HydrophobicContact CG-CB 4Å; E192-R202 HydrophobicContact CG-CG 3.85Å; E192-R202 WeakPolarHBondContact OE1-CD 3.21Å; E192-R202 IonicContact OE1-CZ 3.97Å; E192-R202 IonicContact OE1-NH1 3.74Å; E192-R202 PolarHBondContact OE1-NH1 2.01Å |
| 193 | V | 87.4 | Confident | 85.8 | Confident | 49 Ų | 49 | 64.6 Ų | 64.6 | 30% | 0.297 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 131.4 | -177.1 | -175.5 | 0 | 0 | 0 | 0 | 109 | I187 V195 C201 | I187-V193 HydrophobicContact CB-CB 4.48Å; I187-V193 HydrophobicContact CB-CG2 4.26Å; I187-V193 HydrophobicContact CG2-CB 4.05Å; I187-V193 HydrophobicContact CG2-CG1 4.23Å; I187-V193 HydrophobicContact CG2-CG2 4.31Å; V193-V195 PolarHBondContact O-N 2.97Å; V193-C201 PolarHBondContact N-O 2.96Å; V193-C201 PolarHBondContact O-N 3.15Å |
| 194 | K | 86.5 | Confident | 85.6 | Confident | 121 Ų | 121 | 67.1 Ų | 67.1 | 53% | 0.526 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 106.4 | 171.7 | -170.6 | -174.4 | -165.7 | -153.2 | 0 | 108 | D196 D197 I200 | K194-D196 WeakPolarHBondContact CE-O 3.44Å; K194-D196 WeakPolarHBondContact CG-O 3.35Å; K194-D197 VanDerWaalsContact CE-C 3.44Å; K194-D197 VanDerWaalsContact CE-CA 3.43Å; K194-D197 WeakPolarHBondContact CE-O 3.43Å; K194-D197 PolarHBondContact NZ-O 2.8Å; K194-D197 IonicContact NZ-OD1 2.96Å; K194-D197 PolarHBondContact NZ-OD1 2.75Å; K194-I200 HydrophobicContact CB-CG1 4.44Å; K194-I200 HydrophobicContact CG-CG1 4.41Å |
| 195 | V | 84.1 | Confident | 84.9 | Confident | 41 Ų | 41 | 66.4 Ų | 66.4 | 25% | 0.248 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | -41.1 | -178.7 | -179.4 | 0 | 0 | 0 | 0 | 110.5 | A182 I187 V193 T199 C201 | A182-V195 HydrophobicContact CB-CG2 4.02Å; I187-V195 HydrophobicContact CG2-CG2 4.38Å; V193-V195 PolarHBondContact O-N 2.97Å; V195-T199 PolarHBondContact N-O 2.89Å; V195-C201 HydrophobicContact CG2-CB 3.87Å |
| 196 | D | 81.6 | Confident | 83.7 | Confident | 97 Ų | 97 | 64.4 Ų | 64.4 | 52% | 0.519 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 172.4 | 174.4 | -54.8 | -60.9 | 0 | 0 | 0 | 109.9 | K194 C198 T199 | K194-D196 WeakPolarHBondContact CE-O 3.44Å; K194-D196 WeakPolarHBondContact CG-O 3.35Å; D196-C198 PolarHBondContact O-N 3.25Å; D196-T199 PolarHBondContact N-O 2.86Å; D196-T199 PolarHBondContact O-N 2.03Å; D196-T199 VanDerWaalsContact O-N 3.09Å; D196-T199 PolarHBondContact OD2-OG1 3.04Å |
| 197 | D | 78.4 | Confident | 83.1 | Confident | 128 Ų | 128 | 63 Ų | 63 | 68% | 0.684 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -29.4 | 179.7 | -80.8 | -40.9 | 0 | 0 | 0 | 114.6 | K194 C219 | K194-D197 VanDerWaalsContact CE-C 3.44Å; K194-D197 VanDerWaalsContact CE-CA 3.43Å; K194-D197 WeakPolarHBondContact CE-O 3.43Å; K194-D197 PolarHBondContact NZ-O 2.8Å; K194-D197 IonicContact NZ-OD1 2.96Å; K194-D197 PolarHBondContact NZ-OD1 2.75Å; D197-C219 PolarHBondContact O-SG 2.89Å |
| 198 | C | 82.7 | Confident | 82.4 | Confident | 33 Ų | 33 | 66.7 Ų | 66.7 | 22% | 0.223 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.8 | -4 | -177.8 | -42.6 | 0 | 0 | 0 | 0 | 113.2 | D196 R216 R217 C219 | D196-C198 PolarHBondContact O-N 3.25Å; C198-R216 HydrophobicContact CB-CG 4.17Å; C198-R216 CarbonylContact O-C 2.99Å; C198-R216 VanDerWaalsContact O-CA 3.26Å; C198-R216 WeakPolarHBondContact O-CA 3.04Å; C198-R217 WeakPolarHBondContact CB-O 2.96Å; C198-R217 PolarHBondContact O-N 2.04Å; C198-C219 WeakPolarHBondContact CA-SG 3.18Å; C198-C219 HydrophobicContact CB-CB 4.16Å; C198-C219 WeakPolarHBondContact CB-SG 3.08Å; C198-C219 PolarHBondContact N-SG 3.06Å; C198-C219 WeakPolarHBondContact SG-CB 3.47Å; C198-C219 CovalentContact SG-SG 2.01Å; C198-C219 PolarHBondContact SG-SG 3.35Å |
| 199 | T | 86.1 | Confident | 81.9 | Confident | 16 Ų | 16 | 71.5 Ų | 71.5 | 10% | 0.098 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 116 | -167 | -47.2 | 0 | 0 | 0 | 0 | 110.4 | V195 D196 C214 | V195-T199 PolarHBondContact N-O 2.89Å; D196-T199 PolarHBondContact N-O 2.86Å; D196-T199 PolarHBondContact O-N 2.03Å; D196-T199 VanDerWaalsContact O-N 3.09Å; D196-T199 PolarHBondContact OD2-OG1 3.04Å; T199-C214 HydrophobicContact CG2-CB 4.04Å |
| 200 | I | 87.9 | Confident | 81.6 | Confident | 37 Ų | 37 | 75.2 Ų | 75.2 | 19% | 0.19 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 121.6 | 173.9 | -66.2 | 165.7 | 0 | 0 | 0 | 108.1 | E192 K194 C214 L215 R217 | E192-I200 HydrophobicContact CB-CG2 4.21Å; K194-I200 HydrophobicContact CB-CG1 4.44Å; K194-I200 HydrophobicContact CG-CG1 4.41Å; I200-C214 WeakPolarHBondContact O-CA 3.12Å; I200-L215 PolarHBondContact N-O 2.74Å; I200-L215 PolarHBondContact O-N 2.79Å; I200-R217 VanDerWaalsContact CD1-CZ 3.45Å |
| 201 | C | 89.1 | Confident | 81.5 | Confident | 1 Ų | 1 | 78.4 Ų | 78.4 | 1% | 0.007 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 142.6 | -179.6 | -59.3 | 0 | 0 | 0 | 0 | 111 | A182 I187 V193 V195 A212 Q213 C214 | A182-C201 HydrophobicContact CB-CB 3.82Å; I187-C201 HydrophobicContact CD1-CB 3.92Å; V193-C201 PolarHBondContact N-O 2.96Å; V193-C201 PolarHBondContact O-N 3.15Å; V195-C201 HydrophobicContact CG2-CB 3.87Å; C201-A212 HydrophobicContact CB-CB 4.25Å; C201-Q213 CarbonylContact C-O 3.57Å; C201-Q213 WeakPolarHBondContact CA-O 2.88Å; C201-C214 HydrophobicContact CB-CB 4.1Å; C201-C214 WeakPolarHBondContact CB-SG 3.48Å; C201-C214 WeakPolarHBondContact SG-CB 3.37Å; C201-C214 CovalentContact SG-SG 2.04Å; C201-C214 PolarHBondContact SG-SG 3.24Å |
| 202 | R | 88.7 | Confident | 81.6 | Confident | 113 Ų | 113 | 72.4 Ų | 72.4 | 43% | 0.426 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 129.8 | 176.4 | -171.1 | 177.5 | 176.7 | 159.5 | -9.9 | 110.2 | E192 Q213 | E192-R202 HydrophobicContact CG-CB 4Å; E192-R202 HydrophobicContact CG-CG 3.85Å; E192-R202 WeakPolarHBondContact OE1-CD 3.21Å; E192-R202 IonicContact OE1-CZ 3.97Å; E192-R202 IonicContact OE1-NH1 3.74Å; E192-R202 PolarHBondContact OE1-NH1 2.01Å; R202-Q213 PolarHBondContact N-O 3.08Å; R202-Q213 PolarHBondContact O-N 2.82Å |
| 203 | C | 87.1 | Confident | 81.9 | Confident | 3 Ų | 3 | 74.5 Ų | 74.5 | 2% | 0.02 | 37% | 0.371 | C | S | . | . | trans | -92 | 114.3 | 171.8 | -163.3 | 0 | 0 | 0 | 0 | 109.2 | C180 I187 G190 | C180-C203 HydrophobicContact CB-CB 4.43Å; C180-C203 WeakPolarHBondContact CB-SG 3.49Å; C180-C203 VanDerWaalsContact SG-CA 3.54Å; C180-C203 WeakPolarHBondContact SG-CB 3.32Å; C180-C203 CovalentContact SG-SG 2.03Å; C180-C203 PolarHBondContact SG-SG 3.12Å; I187-C203 HydrophobicContact CD1-CB 3.99Å; I187-C203 HydrophobicContact CG1-CB 4.11Å; G190-C203 PolarHBondContact N-O 2.77Å | ||
| 204 | H | 79.6 | Confident | 81.9 | Confident | 125 Ų | 125 | 75 Ų | 75 | 58% | 0.579 | 38% | 0.377 | S | S | * | . | trans | -75.4 | 153 | 175.2 | -158.9 | 34.4 | 0 | 0 | 0 | 110.4 | G206 | H204-G206 PolarHBondContact O-N 2.98Š| ||
| 205 | N | 67.8 | Low | 81.9 | Confident | 122 Ų | 122 | 74.3 Ų | 74.3 | 65% | 0.652 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -43.3 | 107.7 | -163.7 | -78.2 | -6.7 | 0 | 0 | 0 | 114.3 | D207 | N205-D207 PolarHBondContact O-N 3.44Š|
| 206 | G | 63.3 | Low | 81.9 | Confident | 24 Ų | 24 | 81.7 Ų | 81.7 | 25% | 0.247 | 40% | 0.401 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.3 | -2.2 | 161.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | H204 W208 | H204-G206 PolarHBondContact O-N 2.98Å; G206-W208 PolarHBondContact O-N 2.91Å |
| 207 | D | 75.1 | Confident | 81.8 | Confident | 37 Ų | 37 | 83.5 Ų | 83.5 | 20% | 0.198 | 40% | 0.401 | C | S | . | . | trans | -74 | 65.9 | 177.5 | -74.8 | -15.2 | 0 | 0 | 0 | 110.6 | N205 W209 K210 | N205-D207 PolarHBondContact O-N 3.44Å; D207-W209 HydrophobicContact CB-CH2 4.46Å; D207-W209 HydrophobicContact CB-CZ2 4.26Å; D207-W209 PolarHBondContact O-N 3.34Å; D207-W209 VanDerWaalsContact O-N 3.13Å; D207-W209 WeakPolarHBondContact OD1-CH2 3.04Å; D207-W209 WeakPolarHBondContact OD1-CZ2 3.26Å; D207-K210 HydrophobicContact CB-CB 4.05Å; D207-K210 HydrophobicContact CB-CD 4.05Å; D207-K210 HydrophobicContact CB-CG 4.1Å; D207-K210 PolarHBondContact O-N 2.89Å; D207-K210 WeakPolarHBondContact OD2-CD 3.01Å; D207-K210 WeakPolarHBondContact OD2-CE 3.21Å; D207-K210 IonicContact OD2-NZ 3.54Å; D207-K210 PolarHBondContact OD2-NZ 2.95Å | ||
| 208 | W | 73.9 | Confident | 81.4 | Confident | 82 Ų | 82 | 86.8 Ų | 86.8 | 31% | 0.311 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -26.4 | -179.3 | 63.5 | -92.1 | 0 | 0 | 0 | 112.7 | V157 V161 N179 G206 K210 | V157-W208 HydrophobicContact CG1-CH2 4.18Å; V157-W208 HydrophobicContact CG1-CZ2 3.71Å; V161-W208 HydrophobicContact CG1-CB 4.33Å; V161-W208 WeakPolarHBondContact CG1-O 3.4Å; N179-W208 WeakPolarHBondContact O-CB 3.3Å; G206-W208 PolarHBondContact O-N 2.91Å; W208-K210 VanDerWaalsContact C-N 3.29Å; W208-K210 PolarHBondContact O-N 3.09Å |
| 209 | W | 78.2 | Confident | 80.5 | Confident | 156 Ų | 156 | 86.8 Ų | 86.8 | 59% | 0.591 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -11.2 | 176.3 | 65 | 92 | 0 | 0 | 0 | 113.6 | D207 | D207-W209 HydrophobicContact CB-CH2 4.46Å; D207-W209 HydrophobicContact CB-CZ2 4.26Å; D207-W209 PolarHBondContact O-N 3.34Å; D207-W209 VanDerWaalsContact O-N 3.13Å; D207-W209 WeakPolarHBondContact OD1-CH2 3.04Å; D207-W209 WeakPolarHBondContact OD1-CZ2 3.26Å |
| 210 | K | 82.9 | Confident | 79.3 | Confident | 105 Ų | 105 | 94.4 Ų | 94.4 | 46% | 0.457 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -103.1 | 142.6 | 175.9 | -63.9 | -175.6 | -167 | 152.2 | 0 | 110.7 | C180 D207 W208 | C180-K210 WeakPolarHBondContact CB-O 3.03Å; D207-K210 HydrophobicContact CB-CB 4.05Å; D207-K210 HydrophobicContact CB-CD 4.05Å; D207-K210 HydrophobicContact CB-CG 4.1Å; D207-K210 PolarHBondContact O-N 2.89Å; D207-K210 WeakPolarHBondContact OD2-CD 3.01Å; D207-K210 WeakPolarHBondContact OD2-CE 3.21Å; D207-K210 IonicContact OD2-NZ 3.54Å; D207-K210 PolarHBondContact OD2-NZ 2.95Å; W208-K210 VanDerWaalsContact C-N 3.29Å; W208-K210 PolarHBondContact O-N 3.09Å |
| 211 | P | 82.8 | Confident | 77.7 | Confident | 106 Ų | 106 | 99.4 Ų | 99.4 | 69% | 0.688 | 48% | 0.478 | S | S | * | . | P | Polyproline II helix | trans | -66 | 152.3 | 169.8 | 28.7 | -33.2 | 0 | 0 | 0 | 110.8 | F181 | F181-P211 WeakPolarHBondContact O-CA 3.36Š|
| 212 | A | 87.1 | Confident | 75.9 | Confident | 14 Ų | 14 | 102.4 Ų | 102.4 | 12% | 0.116 | 51% | 0.51 | C | S | . | . | P | Polyproline II helix | trans | -60.6 | 146.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | F181 A182 I187 C201 C214 | F181-A212 WeakPolarHBondContact O-CB 3.47Å; F181-A212 PolarHBondContact O-N 2.79Å; A182-A212 HydrophobicContact CB-CB 3.8Å; I187-A212 HydrophobicContact CD1-CB 3.65Å; I187-A212 HydrophobicContact CG1-CB 4.25Å; C201-A212 HydrophobicContact CB-CB 4.25Å; A212-C214 PolarHBondContact O-N 2.91Å |
| 213 | Q | 88.8 | Confident | 73.9 | Confident | 154 Ų | 154 | 106 Ų | 106 | 72% | 0.72 | 53% | 0.532 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 110.4 | 173.1 | -171.1 | 176.6 | 5.5 | 0 | 0 | 109.4 | C201 R202 | C201-Q213 CarbonylContact C-O 3.57Å; C201-Q213 WeakPolarHBondContact CA-O 2.88Å; R202-Q213 PolarHBondContact N-O 3.08Å; R202-Q213 PolarHBondContact O-N 2.82Å |
| 214 | C | 87.9 | Confident | 72 | Confident | 61 Ų | 61 | 111.7 Ų | 111.7 | 41% | 0.412 | 57% | 0.571 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.7 | 128.7 | -179.3 | -62.8 | 0 | 0 | 0 | 0 | 111.5 | T199 I200 C201 A212 | T199-C214 HydrophobicContact CG2-CB 4.04Å; I200-C214 WeakPolarHBondContact O-CA 3.12Å; C201-C214 HydrophobicContact CB-CB 4.1Å; C201-C214 WeakPolarHBondContact CB-SG 3.48Å; C201-C214 WeakPolarHBondContact SG-CB 3.37Å; C201-C214 CovalentContact SG-SG 2.04Å; C201-C214 PolarHBondContact SG-SG 3.24Å; A212-C214 PolarHBondContact O-N 2.91Å |
| 215 | L | 87.3 | Confident | 70 | Confident | 105 Ų | 105 | 114.2 Ų | 114.2 | 55% | 0.55 | 60% | 0.603 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.5 | 123.2 | 171.4 | -172.3 | 74.7 | 0 | 0 | 0 | 109.1 | I200 R217 | I200-L215 PolarHBondContact N-O 2.74Å; I200-L215 PolarHBondContact O-N 2.79Å; L215-R217 HydrophobicContact CD2-CG 4.1Å; L215-R217 HydrophobicContact CG-CG 4.44Å |
| 216 | R | 84 | Confident | 70.1 | Confident | 197 Ų | 197 | 113.9 Ų | 113.9 | 74% | 0.743 | 60% | 0.601 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -84.3 | 115.8 | 170.3 | -160 | 178 | -163.2 | 114.8 | 2.3 | 108.7 | C198 | C198-R216 HydrophobicContact CB-CG 4.17Å; C198-R216 CarbonylContact O-C 2.99Å; C198-R216 VanDerWaalsContact O-CA 3.26Å; C198-R216 WeakPolarHBondContact O-CA 3.04Å |
| 217 | R | 78.7 | Confident | 70.5 | Confident | 134 Ų | 134 | 118.6 Ų | 118.6 | 51% | 0.506 | 62% | 0.619 | S | S | . | * | trans | -98.4 | 159.4 | 172.3 | -59.9 | -168.4 | -162.8 | 174.9 | 9.4 | 109.8 | C198 I200 L215 C219 | C198-R217 WeakPolarHBondContact CB-O 2.96Å; C198-R217 PolarHBondContact O-N 2.04Å; I200-R217 VanDerWaalsContact CD1-CZ 3.45Å; L215-R217 HydrophobicContact CD2-CG 4.1Å; L215-R217 HydrophobicContact CG-CG 4.44Å; R217-C219 PolarHBondContact O-N 2.9Å; R217-C219 VanDerWaalsContact O-N 3.08Å | ||
| 218 | E | 69.8 | Low | 70.3 | Confident | 197 Ų | 197 | 123.1 Ų | 123.1 | 92% | 0.921 | 64% | 0.643 | S | S | * | * | trans | -62.9 | 111.9 | 172.2 | -68 | -179 | 176.9 | 0 | 0 | 108.9 | L220 | E218-L220 PolarHBondContact O-N 3.22Š| ||
| 219 | C | 64.9 | Low | 70 | Confident | 34 Ų | 34 | 125.5 Ų | 125.5 | 23% | 0.23 | 66% | 0.662 | C | S | . | * | trans | -60.6 | 130.3 | 164.5 | -87.3 | 0 | 0 | 0 | 0 | 108 | D197 C198 R217 N221 | D197-C219 PolarHBondContact O-SG 2.89Å; C198-C219 WeakPolarHBondContact CA-SG 3.18Å; C198-C219 HydrophobicContact CB-CB 4.16Å; C198-C219 WeakPolarHBondContact CB-SG 3.08Å; C198-C219 PolarHBondContact N-SG 3.06Å; C198-C219 WeakPolarHBondContact SG-CB 3.47Å; C198-C219 CovalentContact SG-SG 2.01Å; C198-C219 PolarHBondContact SG-SG 3.35Å; R217-C219 PolarHBondContact O-N 2.9Å; R217-C219 VanDerWaalsContact O-N 3.08Å; C219-N221 PolarHBondContact O-N 3.25Å | ||
| 220 | L | 61.4 | Low | 69.5 | Low | 175 Ų | 175 | 123.6 Ų | 123.6 | 92% | 0.916 | 67% | 0.667 | S | S | * | * | trans | -59.9 | 92 | 151.3 | -73.5 | 166.9 | 0 | 0 | 0 | 105.3 | E218 G222 | E218-L220 PolarHBondContact O-N 3.22Å; L220-G222 VanDerWaalsContact C-N 3.33Å; L220-G222 PolarHBondContact O-N 3.37Å | ||
| 221 | N | 54 | Low | 68.6 | Low | 142 Ų | 142 | 124.9 Ų | 124.9 | 76% | 0.759 | 68% | 0.681 | S | S | * | * | trans | -46.5 | 111.5 | 157.3 | -83 | -21.5 | 0 | 0 | 0 | 104.2 | C219 Q223 | C219-N221 PolarHBondContact O-N 3.25Å; N221-Q223 PolarHBondContact O-N 3.03Å | ||
| 222 | G | 51 | Low | 67.6 | Low | 65 Ų | 65 | 126.2 Ų | 126.2 | 67% | 0.67 | 68% | 0.68 | S | S | * | * | trans | -51.3 | 105.7 | 158.5 | 0 | 0 | 0 | 0 | 0 | 105.1 | L220 S224 | L220-G222 VanDerWaalsContact C-N 3.33Å; L220-G222 PolarHBondContact O-N 3.37Å; G222-S224 PolarHBondContact O-N 2.96Å | ||
| 223 | Q | 47.3 | Very low | 66.1 | Low | 189 Ų | 189 | 134.8 Ų | 134.8 | 88% | 0.883 | 72% | 0.724 | S | S | * | * | trans | -56.6 | 93.4 | 155.2 | -78.2 | -177.9 | -19.9 | 0 | 0 | 104.5 | N221 S225 | N221-Q223 PolarHBondContact O-N 3.03Å; Q223-S225 PolarHBondContact O-N 2.8Å | ||
| 224 | S | 45.3 | Very low | 64.2 | Low | 121 Ų | 121 | 133.3 Ų | 133.3 | 85% | 0.846 | 72% | 0.724 | S | S | * | * | trans | -68.1 | 89.7 | 154.7 | 31 | 0 | 0 | 0 | 0 | 104.7 | G222 | G222-S224 PolarHBondContact O-N 2.96Š| ||
| 225 | S | 39.4 | Very low | 62.1 | Low | 179 Ų | 179 | 139.8 Ų | 139.8 | 100% | 1.252 | 75% | 0.752 | S | S | * | * | trans | -77.5 | 0 | 154.9 | -176.3 | 0 | 0 | 0 | 0 | 109.5 | Q223 | Q223-S225 PolarHBondContact O-N 2.8Š|
Retrieved 225 of 225 residues in 54.3 ms
(Link to these results)