| 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 | 42 | Very low | 41.9 | Very low | 231 Ų | 231 | 141.7 Ų | 141.7 | 100% | 1.138 | 80% | 0.795 | S | S | * | * | 0 | 150.6 | 0 | -54.1 | 78.2 | 147.7 | 0 | 0 | 107.7 | |||||
| 2 | C | 38.2 | Very low | 41.5 | Very low | 120 Ų | 120 | 143.3 Ų | 143.3 | 81% | 0.811 | 80% | 0.798 | S | S | * | * | cis | -115.7 | 166.2 | -0.8 | -55.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 3 | M | 41.5 | Very low | 43.1 | Very low | 169 Ų | 169 | 141 Ų | 141 | 83% | 0.833 | 79% | 0.794 | S | S | * | * | cis | 78.6 | 87.1 | 17.9 | -68.6 | -65.3 | 178 | 0 | 0 | 117.8 | ||||
| 4 | A | 42.9 | Very low | 43.7 | Very low | 93 Ų | 93 | 138.8 Ų | 138.8 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | trans | -160.1 | 129.8 | 156.5 | 0 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 5 | Q | 42.1 | Very low | 43.4 | Very low | 173 Ų | 173 | 143.1 Ų | 143.1 | 81% | 0.808 | 79% | 0.787 | S | S | * | * | cis | 63.3 | 131.5 | 25.1 | -59.5 | -173.7 | -33.9 | 0 | 0 | 113.4 | ||||
| 6 | V | 46 | Very low | 43.3 | Very low | 121 Ų | 121 | 143.8 Ų | 143.8 | 73% | 0.733 | 78% | 0.782 | S | S | * | * | cis | -134.9 | -170.7 | -4 | -113 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 7 | L | 41.8 | Very low | 43.2 | Very low | 145 Ų | 145 | 140.6 Ų | 140.6 | 76% | 0.759 | 78% | 0.781 | S | S | * | * | cis | -138.3 | 172.7 | 30.1 | -93.8 | 86.9 | 0 | 0 | 0 | 109.6 | ||||
| 8 | T | 41.7 | Very low | 43.2 | Very low | 110 Ų | 110 | 143.1 Ų | 143.1 | 68% | 0.675 | 79% | 0.791 | S | S | * | * | cis | 73.1 | 124.4 | 42 | -38.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 9 | A | 43.9 | Very low | 43 | Very low | 76 Ų | 76 | 139.4 Ų | 139.4 | 63% | 0.628 | 79% | 0.789 | S | S | * | * | cis | -169.1 | -160.7 | -19 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 10 | H | 41.3 | Very low | 43.1 | Very low | 155 Ų | 155 | 138.1 Ų | 138.1 | 72% | 0.718 | 79% | 0.789 | S | S | * | * | trans | 111.9 | 115.9 | 148.6 | -60.7 | -72.2 | 0 | 0 | 0 | 121.5 | ||||
| 11 | L | 38.9 | Very low | 43.4 | Very low | 166 Ų | 166 | 139.1 Ų | 139.1 | 87% | 0.869 | 79% | 0.791 | S | S | * | * | trans | 78.7 | 137.2 | 136.6 | -60.9 | 168.4 | 0 | 0 | 0 | 122.6 | ||||
| 12 | L | 38 | Very low | 43.5 | Very low | 160 Ų | 160 | 134.4 Ų | 134.4 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | trans | -111.5 | 176.6 | 164.9 | -81.9 | 136 | 0 | 0 | 0 | 108.1 | ||||
| 13 | P | 62.2 | Low | 43.9 | Very low | 114 Ų | 114 | 133.7 Ų | 133.7 | 74% | 0.74 | 78% | 0.776 | S | S | * | * | cis | -118.4 | -118 | -0.8 | 23.5 | 3.9 | 0 | 0 | 0 | 109 | ||||
| 14 | P | 51.7 | Low | 44.4 | Very low | 110 Ų | 110 | 131.2 Ų | 131.2 | 71% | 0.714 | 77% | 0.772 | S | S | * | * | cis | -137.1 | 162.9 | -26.8 | 40.3 | -21.4 | 0 | 0 | 0 | 118.7 | ||||
| 15 | R | 38.9 | Very low | 44.6 | Very low | 203 Ų | 203 | 137.7 Ų | 137.7 | 77% | 0.766 | 78% | 0.777 | S | S | * | * | trans | 43.3 | 116.4 | 145.9 | -79.3 | -172.3 | 163.2 | -128.4 | 10.8 | 123.7 | ||||
| 16 | Q | 41 | Very low | 44.9 | Very low | 154 Ų | 154 | 134.1 Ų | 134.1 | 72% | 0.72 | 78% | 0.778 | S | S | * | * | 66 | 112.1 | 119.3 | -64.3 | 173.7 | -14.4 | 0 | 0 | 123.3 | |||||
| 17 | A | 41.8 | Very low | 45.4 | Very low | 91 Ų | 91 | 132 Ų | 132 | 75% | 0.752 | 77% | 0.772 | S | S | * | * | trans | -162.7 | 125.3 | 131.7 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 18 | L | 43.9 | Very low | 45.9 | Very low | 184 Ų | 184 | 130.3 Ų | 130.3 | 96% | 0.963 | 77% | 0.77 | S | S | * | * | 65.8 | 120.8 | 75.7 | -80.1 | 164 | 0 | 0 | 0 | 114.7 | |||||
| 19 | G | 38.6 | Very low | 46.6 | Very low | 73 Ų | 73 | 136.8 Ų | 136.8 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | trans | 130.3 | 73.2 | -169.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 20 | S | 45 | Very low | 47.2 | Very low | 114 Ų | 114 | 139.7 Ų | 139.7 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | 76.9 | 124.2 | 65 | -158.6 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 21 | L | 50.6 | Low | 47.9 | Very low | 159 Ų | 159 | 134.7 Ų | 134.7 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | trans | -31.5 | 139.4 | -173.6 | -56.4 | 87.1 | 0 | 0 | 0 | 117.9 | ||||
| 22 | C | 42.5 | Very low | 48.8 | Very low | 133 Ų | 133 | 133.2 Ų | 133.2 | 90% | 0.899 | 78% | 0.783 | S | S | * | * | -155.5 | 156.1 | 117.8 | -126.4 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 23 | S | 48.3 | Very low | 49.5 | Very low | 105 Ų | 105 | 133.3 Ų | 133.3 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | trans | -85.8 | -175.5 | -177.9 | -50.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 24 | P | 51.1 | Low | 49.3 | Very low | 116 Ų | 116 | 132.8 Ų | 132.8 | 75% | 0.753 | 78% | 0.78 | S | S | * | * | cis | -138.1 | 176.6 | 1.3 | 42.3 | -24.5 | 0 | 0 | 0 | 116.9 | ||||
| 25 | W | 47.7 | Very low | 49.6 | Very low | 229 Ų | 229 | 133.4 Ų | 133.4 | 87% | 0.867 | 78% | 0.784 | S | S | * | * | trans | 47.3 | 89 | 151.9 | -148.7 | -49.6 | 0 | 0 | 0 | 118.1 | A27 | W25-A27 PolarHBondContact O-N 3.05Š| ||
| 26 | A | 47.5 | Very low | 50.5 | Low | 99 Ų | 99 | 127.9 Ų | 127.9 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -67 | 103.6 | 162.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 27 | A | 57.4 | Low | 51.3 | Low | 75 Ų | 75 | 126.3 Ų | 126.3 | 62% | 0.62 | 79% | 0.785 | S | S | * | * | trans | -66.1 | 132.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | W25 R29 | W25-A27 PolarHBondContact O-N 3.05Å; A27-R29 PolarHBondContact O-N 3.16Å; A27-R29 VanDerWaalsContact O-N 3.08Å | ||
| 28 | P | 51.3 | Low | 51.9 | Low | 111 Ų | 111 | 126.4 Ų | 126.4 | 72% | 0.721 | 79% | 0.786 | S | S | * | * | trans | -62.3 | 115.4 | 173.9 | -19.5 | 31.5 | 0 | 0 | 0 | 109.6 | V30 | P28-V30 PolarHBondContact O-N 2.69Š| ||
| 29 | R | 57.4 | Low | 52.4 | Low | 245 Ų | 245 | 126.1 Ų | 126.1 | 93% | 0.925 | 78% | 0.781 | S | S | * | * | trans | -70.6 | 88.3 | 166.6 | -71.3 | -174.4 | -174.1 | -96.5 | 1.8 | 108 | A27 G31 | A27-R29 PolarHBondContact O-N 3.16Å; A27-R29 VanDerWaalsContact O-N 3.08Å; R29-G31 PolarHBondContact O-N 2.84Å | ||
| 30 | V | 56.4 | Low | 52.9 | Low | 138 Ų | 138 | 128.6 Ų | 128.6 | 84% | 0.836 | 78% | 0.782 | S | S | * | * | trans | -61.5 | 103 | 164.7 | -175.5 | 0 | 0 | 0 | 0 | 106.4 | P28 | P28-V30 PolarHBondContact O-N 2.69Š| ||
| 31 | G | 56.4 | Low | 53.5 | Low | 50 Ų | 50 | 134.4 Ų | 134.4 | 52% | 0.515 | 79% | 0.786 | S | S | . | * | P | Polyproline II helix | trans | -62.3 | 155.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | R29 L33 | R29-G31 PolarHBondContact O-N 2.84Å; G31-L33 PolarHBondContact O-N 3.03Å |
| 32 | P | 58.1 | Low | 53.8 | Low | 134 Ų | 134 | 133.7 Ų | 133.7 | 87% | 0.87 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 134.5 | 174.2 | 24.4 | -33.2 | 0 | 0 | 0 | 109.9 | ||
| 33 | L | 51.7 | Low | 54.8 | Low | 162 Ų | 162 | 132 Ų | 132 | 85% | 0.848 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 137.7 | -179.3 | -157.3 | 73.8 | 0 | 0 | 0 | 109.4 | G31 | G31-L33 PolarHBondContact O-N 3.03Š|
| 34 | P | 58.3 | Low | 55 | Low | 103 Ų | 103 | 135.8 Ų | 135.8 | 67% | 0.669 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 141.9 | 174.5 | 24 | -34.6 | 0 | 0 | 0 | 110 | A36 | P34-A36 PolarHBondContact O-N 2.92Š|
| 35 | P | 57.9 | Low | 54.9 | Low | 124 Ų | 124 | 135.5 Ų | 135.5 | 81% | 0.805 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -58 | 136.6 | 175.9 | 25.8 | -33.7 | 0 | 0 | 0 | 109.2 | ||
| 36 | A | 57.5 | Low | 55.1 | Low | 87 Ų | 87 | 132.9 Ų | 132.9 | 72% | 0.719 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 142.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110 | P34 A38 | P34-A36 PolarHBondContact O-N 2.92Å; A36-A38 PolarHBondContact O-N 3.21Å; A36-A38 VanDerWaalsContact O-N 3.1Å |
| 37 | P | 57.5 | Low | 55.1 | Low | 120 Ų | 120 | 134.5 Ų | 134.5 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 124.7 | 178.9 | 23.6 | -33.8 | 0 | 0 | 0 | 108.4 | M39 | P37-M39 PolarHBondContact O-N 3.38Š|
| 38 | A | 55.4 | Low | 54.9 | Low | 94 Ų | 94 | 136.9 Ų | 136.9 | 78% | 0.777 | 76% | 0.764 | S | S | * | * | trans | -54.6 | 110.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | A36 V40 | A36-A38 PolarHBondContact O-N 3.21Å; A36-A38 VanDerWaalsContact O-N 3.1Å; A38-V40 PolarHBondContact O-N 3.31Å | ||
| 39 | M | 53.8 | Low | 55.2 | Low | 177 Ų | 177 | 137.2 Ų | 137.2 | 87% | 0.872 | 76% | 0.756 | S | S | * | * | trans | -56.4 | 108.9 | 179 | -71.3 | 178.2 | 70.9 | 0 | 0 | 106.9 | P37 R41 | P37-M39 PolarHBondContact O-N 3.38Å; M39-R41 VanDerWaalsContact C-N 3.31Å; M39-R41 PolarHBondContact O-N 2.93Å | ||
| 40 | V | 48.5 | Very low | 55 | Low | 125 Ų | 125 | 128.2 Ų | 128.2 | 76% | 0.758 | 73% | 0.734 | S | S | * | * | trans | -57.3 | 105.4 | 171.3 | 175 | 0 | 0 | 0 | 0 | 104.8 | A38 I42 | A38-V40 PolarHBondContact O-N 3.31Å; V40-I42 HydrophobicContact CG1-CG1 4.26Å; V40-I42 PolarHBondContact O-N 2.85Å | ||
| 41 | R | 59.1 | Low | 55 | Low | 237 Ų | 237 | 128.9 Ų | 128.9 | 89% | 0.894 | 72% | 0.722 | S | S | * | * | trans | -66.2 | 91 | 169.2 | -79.2 | -175.1 | 170.4 | -167.2 | -2.6 | 105 | M39 S43 | M39-R41 VanDerWaalsContact C-N 3.31Å; M39-R41 PolarHBondContact O-N 2.93Å; R41-S43 PolarHBondContact O-N 2.53Å | ||
| 42 | I | 56.1 | Low | 55.2 | Low | 143 Ų | 143 | 128.1 Ų | 128.1 | 73% | 0.733 | 71% | 0.706 | S | S | * | * | trans | -61.2 | 86.5 | 162 | -58 | 175.1 | 0 | 0 | 0 | 104.4 | V40 K44 | V40-I42 HydrophobicContact CG1-CG1 4.26Å; V40-I42 PolarHBondContact O-N 2.85Å; I42-K44 PolarHBondContact O-N 2.74Å | ||
| 43 | S | 62.6 | Low | 55.3 | Low | 98 Ų | 98 | 128.6 Ų | 128.6 | 69% | 0.685 | 70% | 0.701 | S | S | * | * | trans | -51.9 | 123.5 | 164.3 | 42.9 | 0 | 0 | 0 | 0 | 105.2 | R41 P45 | R41-S43 PolarHBondContact O-N 2.53Å; S43-P45 VanDerWaalsContact O-N 3.16Å | ||
| 44 | K | 52.7 | Low | 55.6 | Low | 185 Ų | 185 | 126.9 Ų | 126.9 | 80% | 0.804 | 69% | 0.693 | S | S | * | * | trans | -43.4 | 128.9 | -179.8 | -65.5 | -180 | 178.5 | -178.1 | 0 | 107.7 | I42 K46 | I42-K44 PolarHBondContact O-N 2.74Å; K44-K46 PolarHBondContact O-N 2.73Å | ||
| 45 | P | 49.3 | Very low | 55.7 | Low | 110 Ų | 110 | 123.2 Ų | 123.2 | 71% | 0.714 | 67% | 0.67 | S | S | * | * | trans | -52 | 115.4 | 176.1 | 22.6 | -32.7 | 0 | 0 | 0 | 106.3 | S43 T47 | S43-P45 VanDerWaalsContact O-N 3.16Å; P45-T47 PolarHBondContact O-N 3.46Å | ||
| 46 | K | 51.8 | Low | 56.1 | Low | 173 Ų | 173 | 124.2 Ų | 124.2 | 75% | 0.752 | 66% | 0.664 | S | S | * | * | trans | -62.4 | 115.5 | -165.1 | -70.4 | 170.9 | 144.7 | -167.5 | 0 | 107.5 | K44 F48 | K44-K46 PolarHBondContact O-N 2.73Å; K46-F48 HydrophobicContact CB-CD2 3.54Å; K46-F48 HydrophobicContact CB-CE2 3.84Å; K46-F48 HydrophobicContact CD-CD2 4.06Å; K46-F48 HydrophobicContact CD-CE2 3.81Å; K46-F48 HydrophobicContact CG-CD2 4.32Å; K46-F48 HydrophobicContact CG-CE2 4.17Å; K46-F48 PolarHBondContact O-N 2.87Å | ||
| 47 | T | 48.7 | Very low | 57.6 | Low | 133 Ų | 133 | 125.1 Ų | 125.1 | 82% | 0.816 | 65% | 0.648 | S | S | * | * | trans | -76.3 | 54.2 | -178.7 | 50.9 | 0 | 0 | 0 | 0 | 111.3 | P45 Q49 | P45-T47 PolarHBondContact O-N 3.46Å; T47-Q49 PolarHBondContact O-N 2.82Å | ||
| 48 | F | 53.3 | Low | 59.1 | Low | 125 Ų | 125 | 121.5 Ų | 121.5 | 55% | 0.548 | 62% | 0.619 | S | S | . | * | trans | -78.8 | 60 | 165.3 | -73.5 | -71.1 | 0 | 0 | 0 | 109.3 | K46 | K46-F48 HydrophobicContact CB-CD2 3.54Å; K46-F48 HydrophobicContact CB-CE2 3.84Å; K46-F48 HydrophobicContact CD-CD2 4.06Å; K46-F48 HydrophobicContact CD-CE2 3.81Å; K46-F48 HydrophobicContact CG-CD2 4.32Å; K46-F48 HydrophobicContact CG-CE2 4.17Å; K46-F48 PolarHBondContact O-N 2.87Å | ||
| 49 | Q | 56.1 | Low | 60.9 | Low | 119 Ų | 119 | 117.1 Ų | 117.1 | 56% | 0.556 | 58% | 0.582 | S | S | * | * | trans | -147.7 | 71.1 | 173.9 | -130.5 | 162.1 | 0.3 | 0 | 0 | 107.4 | T47 Y51 | T47-Q49 PolarHBondContact O-N 2.82Å; Q49-Y51 HydrophobicContact CB-CD2 4.12Å; Q49-Y51 HydrophobicContact CB-CE2 3.68Å; Q49-Y51 VanDerWaalsContact CD-CZ 3.44Å; Q49-Y51 HydrophobicContact CG-CD2 4.21Å; Q49-Y51 HydrophobicContact CG-CE1 4.17Å; Q49-Y51 HydrophobicContact CG-CE2 3.67Å; Q49-Y51 PolarHBondContact NE2-OH 2.9Å; Q49-Y51 VanDerWaalsContact O-CD2 3.29Å; Q49-Y51 WeakPolarHBondContact O-CD2 3.46Å; Q49-Y51 PolarHBondContact O-N 3.01Å; Q49-Y51 PolarHBondContact OE1-OH 2.8Å; Q49-Y51 VanDerWaalsContact OE1-OH 3.06Å | ||
| 50 | A | 54.1 | Low | 62.8 | Low | 55 Ų | 55 | 108.7 Ų | 108.7 | 46% | 0.455 | 54% | 0.541 | S | S | . | . | trans | -62.6 | 89.3 | 152.6 | 0 | 0 | 0 | 0 | 0 | 106.5 | L52 | A50-L52 PolarHBondContact O-N 2.83Š| ||
| 51 | Y | 55.2 | Low | 65.1 | Low | 152 Ų | 152 | 102.7 Ų | 102.7 | 60% | 0.596 | 51% | 0.505 | S | S | * | . | trans | -63.4 | 115.5 | 162.2 | -68 | -85.5 | 0 | 0 | 0 | 105.9 | Q49 | Q49-Y51 HydrophobicContact CB-CD2 4.12Å; Q49-Y51 HydrophobicContact CB-CE2 3.68Å; Q49-Y51 VanDerWaalsContact CD-CZ 3.44Å; Q49-Y51 HydrophobicContact CG-CD2 4.21Å; Q49-Y51 HydrophobicContact CG-CE1 4.17Å; Q49-Y51 HydrophobicContact CG-CE2 3.67Å; Q49-Y51 PolarHBondContact NE2-OH 2.9Å; Q49-Y51 VanDerWaalsContact O-CD2 3.29Å; Q49-Y51 WeakPolarHBondContact O-CD2 3.46Å; Q49-Y51 PolarHBondContact O-N 3.01Å; Q49-Y51 PolarHBondContact OE1-OH 2.8Å; Q49-Y51 VanDerWaalsContact OE1-OH 3.06Å | ||
| 52 | L | 62 | Low | 66.8 | Low | 34 Ų | 34 | 92.9 Ų | 92.9 | 18% | 0.178 | 47% | 0.474 | C | S | . | . | trans | -61.7 | 136.4 | 169.2 | -60.7 | 171.2 | 0 | 0 | 0 | 107.3 | A50 H67 N70 V93 | A50-L52 PolarHBondContact O-N 2.83Å; L52-H67 HydrophobicContact CD1-CB 4.41Å; L52-N70 WeakPolarHBondContact CB-OD1 3.25Å; L52-N70 WeakPolarHBondContact CD1-OD1 3.35Å; L52-V93 HydrophobicContact CD1-CG2 4.02Å; L52-V93 HydrophobicContact CD2-CG1 4.16Å; L52-V93 HydrophobicContact CD2-CG2 3.92Å; L52-V93 HydrophobicContact CG-CG2 4.06Å | ||
| 53 | D | 60.5 | Low | 68.6 | Low | 144 Ų | 144 | 91.8 Ų | 91.8 | 77% | 0.77 | 47% | 0.466 | S | S | * | . | trans | -53.7 | 158.6 | 177.3 | -73.4 | -60.6 | 0 | 0 | 0 | 111.5 | C55 | D53-C55 PolarHBondContact O-N 2.96Š| ||
| 54 | D | 57.1 | Low | 70.1 | Confident | 126 Ų | 126 | 88.8 Ų | 88.8 | 67% | 0.674 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -75.3 | 49 | -154.7 | -151.3 | 19.2 | 0 | 0 | 0 | 115.9 | H56 R58 | D54-H56 PolarHBondContact O-N 2.85Å; D54-R58 IonicContact OD1-NH2 2.69Å; D54-R58 PolarHBondContact OD1-NH2 2.82Å |
| 55 | C | 59.7 | Low | 72.1 | Confident | 27 Ų | 27 | 87.5 Ų | 87.5 | 18% | 0.182 | 44% | 0.435 | C | S | . | . | trans | -64.3 | 122.4 | 163.8 | -177.3 | 0 | 0 | 0 | 0 | 109.3 | D53 R57 D72 | D53-C55 PolarHBondContact O-N 2.96Å; C55-R57 PolarHBondContact O-N 3.14Å; C55-D72 PolarHBondContact SG-OD2 2.97Å | ||
| 56 | H | 68.2 | Low | 74.1 | Confident | 145 Ų | 145 | 83.1 Ų | 83.1 | 67% | 0.671 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -61.4 | -13.5 | 177.6 | -65.9 | -55.4 | 0 | 0 | 0 | 114 | D54 | D54-H56 PolarHBondContact O-N 2.85Š|
| 57 | R | 87.8 | Confident | 76.1 | Confident | 106 Ų | 106 | 76.4 Ų | 76.4 | 40% | 0.4 | 38% | 0.379 | S | S | . | . | trans | -114.9 | 82.5 | -179 | -58.9 | -174.7 | -60.9 | -107.1 | -6.7 | 111.2 | C55 H71 D72 W156 | C55-R57 PolarHBondContact O-N 3.14Å; R57-H71 HydrophobicContact CB-CB 3.58Å; R57-H71 PolarHBondContact NE-CD2 2.92Å; R57-H71 WeakPolarHBondContact O-CB 3.26Å; R57-H71 PolarHBondContact O-N 2.88Å; R57-D72 IonicContact NH2-OD1 2.98Å; R57-D72 PolarHBondContact NH2-OD1 3.31Å; R57-W156 HydrophobicContact CB-CD2 3.92Å; R57-W156 HydrophobicContact CB-CG 4.2Å; R57-W156 HydrophobicContact CB-CZ2 4.06Å; R57-W156 HydrophobicContact CG-CB 4.25Å; R57-W156 HydrophobicContact CG-CD2 3.7Å; R57-W156 HydrophobicContact CG-CE3 4.2Å; R57-W156 HydrophobicContact CG-CG 3.67Å | ||
| 58 | R | 89.5 | Confident | 78.3 | Confident | 43 Ų | 43 | 70.1 Ų | 70.1 | 16% | 0.162 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 160.2 | 172.7 | 76.9 | -171.6 | 72.6 | 159.9 | 5.1 | 112 | D54 H67 D153 | D54-R58 IonicContact OD1-NH2 2.69Å; D54-R58 PolarHBondContact OD1-NH2 2.82Å; R58-H67 PolarHBondContact NH1-NE2 3.03Å; R58-D153 HydrophobicContact CG-CB 3.91Å; R58-D153 VanDerWaalsContact CG-OD2 3.3Å; R58-D153 WeakPolarHBondContact CG-OD2 3.19Å; R58-D153 PolarHBondContact O-N 2.91Å; R58-D153 VanDerWaalsContact O-N 3.12Å |
| 59 | Y | 93.4 | Very high | 80.2 | Confident | 2 Ų | 2 | 64.2 Ų | 64.2 | 1% | 0.008 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 138.9 | 172.4 | -65.6 | -86.3 | 0 | 0 | 0 | 110.6 | L68 A69 H71 Y87 F89 M150 I151 K152 W156 | Y59-L68 PolarHBondContact O-N 2.82Å; Y59-A69 PolarHBondContact N-O 2.94Å; Y59-A69 PolarHBondContact O-N 3.18Å; Y59-H71 HydrophobicContact CE2-CB 4.42Å; Y59-Y87 AromaticContact CE1-CD2 3.97Å; Y59-Y87 HydrophobicContact CE1-CD2 3.97Å; Y59-Y87 AromaticContact CE1-CE2 3.97Å; Y59-Y87 HydrophobicContact CE1-CE2 3.97Å; Y59-Y87 AromaticContact CZ-CD2 3.9Å; Y59-Y87 WeakPolarHBondContact OH-CD2 3.44Å; Y59-Y87 VanDerWaalsContact OH-CE2 3.31Å; Y59-Y87 WeakPolarHBondContact OH-CE2 3.19Å; Y59-F89 HydrophobicContact CD1-CZ 4.4Å; Y59-F89 AromaticContact CD2-CE1 3.55Å; Y59-F89 HydrophobicContact CD2-CE1 3.55Å; Y59-F89 AromaticContact CD2-CZ 3.58Å; Y59-F89 HydrophobicContact CD2-CZ 3.58Å; Y59-F89 HydrophobicContact CE1-CZ 4.33Å; Y59-F89 AromaticContact CE2-CE1 3.45Å; Y59-F89 HydrophobicContact CE2-CE1 3.45Å; Y59-F89 VanDerWaalsContact CE2-CE1 3.45Å; Y59-F89 AromaticContact CE2-CZ 3.51Å; Y59-F89 HydrophobicContact CE2-CZ 3.51Å; Y59-F89 HydrophobicContact CG-CE1 4.4Å; Y59-F89 HydrophobicContact CG-CZ 4.01Å; Y59-F89 AromaticContact CZ-CZ 3.88Å; Y59-M150 HydrophobicContact CD1-CE 3.76Å; Y59-M150 HydrophobicContact CD1-CG 3.93Å; Y59-M150 HydrophobicContact CD1-SD 3.56Å; Y59-M150 VanDerWaalsContact CD1-SD 3.56Å; Y59-M150 HydrophobicContact CE1-CE 3.88Å; Y59-M150 HydrophobicContact CE1-SD 4.26Å; Y59-M150 HydrophobicContact CG-CE 4.47Å; Y59-M150 HydrophobicContact CG-CG 4.33Å; Y59-M150 HydrophobicContact CG-SD 3.78Å; Y59-I151 VanDerWaalsContact CA-O 3.31Å; Y59-I151 WeakPolarHBondContact CA-O 3.4Å; Y59-K152 HydrophobicContact CD1-CG 4.16Å; Y59-K152 HydrophobicContact CE1-CG 3.83Å; Y59-W156 HydrophobicContact CE1-CH2 4.14Å; Y59-W156 HydrophobicContact CE1-CZ2 4.05Å; Y59-W156 HydrophobicContact CE2-CH2 4.07Å; Y59-W156 HydrophobicContact CE2-CZ2 4.06Å; Y59-W156 AromaticContact CZ-CH2 3.62Å; Y59-W156 AromaticContact CZ-CZ2 3.82Å; Y59-W156 WeakPolarHBondContact OH-CH2 3.46Å |
| 60 | S | 94.1 | Very high | 81.9 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 158 | -177.5 | -70.4 | 0 | 0 | 0 | 0 | 112.2 | A62 A66 H67 M150 I151 D153 | S60-A62 PolarHBondContact O-N 2.86Å; S60-A66 CarbonylContact C-O 3.54Å; S60-A66 WeakPolarHBondContact CA-O 3.49Å; S60-H67 PolarHBondContact OG-ND1 3.45Å; S60-M150 WeakPolarHBondContact O-CA 3.22Å; S60-I151 PolarHBondContact N-O 3.35Å; S60-I151 VanDerWaalsContact O-CG1 3.26Å; S60-I151 WeakPolarHBondContact O-CG1 3.43Å; S60-I151 PolarHBondContact O-N 3.43Å; S60-D153 VanDerWaalsContact CB-OD2 3.32Å; S60-D153 WeakPolarHBondContact CB-OD2 3.45Å; S60-D153 PolarHBondContact OG-OD2 3.04Å |
| 61 | C | 95.6 | Very high | 83.7 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 129.3 | 175.7 | 178.5 | 0 | 0 | 0 | 0 | 110.8 | H63 R65 A66 L68 | C61-H63 VanDerWaalsContact C-N 3.27Å; C61-H63 PolarHBondContact O-N 3.27Å; C61-R65 VanDerWaalsContact O-CA 3.28Å; C61-R65 WeakPolarHBondContact O-CA 3.31Å; C61-R65 PolarHBondContact O-N 3.41Å; C61-A66 PolarHBondContact N-O 3.43Å; C61-L68 HydrophobicContact CB-CD1 4.05Å; C61-L68 HydrophobicContact CB-CD2 4.34Å; C61-L68 HydrophobicContact CB-CG 4.28Å |
| 62 | A | 95.1 | Very high | 85.4 | Confident | 31 Ų | 31 | 56.9 Ų | 56.9 | 26% | 0.256 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -38.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | S60 H149 I151 | S60-A62 PolarHBondContact O-N 2.86Å; A62-H149 PolarHBondContact N-O 3.4Å; A62-I151 HydrophobicContact CB-CG2 4.17Å |
| 63 | H | 94.4 | Very high | 86.9 | Confident | 119 Ų | 119 | 57 Ų | 57 | 55% | 0.551 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -41.3 | -173.6 | -64.3 | -85.1 | 0 | 0 | 0 | 114.4 | C61 H149 | C61-H63 VanDerWaalsContact C-N 3.27Å; C61-H63 PolarHBondContact O-N 3.27Å; H63-H149 AromaticContact NE2-ND1 3.88Å |
| 64 | C | 94.3 | Very high | 88.5 | Confident | 36 Ų | 36 | 51.7 Ų | 51.7 | 24% | 0.243 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -126.5 | 3.5 | -172.1 | 71.8 | 0 | 0 | 0 | 0 | 115.3 | A66 C117 N119 C120 | C64-A66 PolarHBondContact O-N 3.22Å; C64-C117 VanDerWaalsContact SG-SG 3.61Å; C64-N119 PolarHBondContact SG-ND2 3.04Å; C64-C120 HydrophobicContact CB-CB 3.76Å; C64-C120 PolarHBondContact SG-SG 3.25Å |
| 65 | R | 93 | Very high | 90.4 | Very high | 158 Ų | 158 | 49.4 Ų | 49.4 | 60% | 0.596 | 24% | 0.24 | S | C | * | . | trans | 58.9 | 11.8 | 177.6 | -50.7 | -59.2 | 177.3 | 116.2 | -2.4 | 115.8 | C61 H67 I151 | C61-R65 VanDerWaalsContact O-CA 3.28Å; C61-R65 WeakPolarHBondContact O-CA 3.31Å; C61-R65 PolarHBondContact O-N 3.41Å; R65-H67 PolarHBondContact O-N 3.27Å; R65-I151 VanDerWaalsContact NH1-CD1 3.26Å | ||
| 66 | A | 93 | Very high | 92 | Very high | 17 Ų | 17 | 49.5 Ų | 49.5 | 14% | 0.14 | 24% | 0.241 | C | C | . | . | trans | -61.3 | 132.6 | 168 | 0 | 0 | 0 | 0 | 0 | 110.2 | S60 C61 C64 N119 | S60-A66 CarbonylContact C-O 3.54Å; S60-A66 WeakPolarHBondContact CA-O 3.49Å; C61-A66 PolarHBondContact N-O 3.43Å; C64-A66 PolarHBondContact O-N 3.22Å; A66-N119 HydrophobicContact CB-CB 4.35Å | ||
| 67 | H | 93 | Very high | 93.3 | Very high | 33 Ų | 33 | 47.1 Ų | 47.1 | 15% | 0.153 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 138.9 | 178.9 | -58.5 | -25.5 | 0 | 0 | 0 | 110.7 | L52 R58 S60 R65 N94 D153 | L52-H67 HydrophobicContact CD1-CB 4.41Å; R58-H67 PolarHBondContact NH1-NE2 3.03Å; S60-H67 PolarHBondContact OG-ND1 3.45Å; R65-H67 PolarHBondContact O-N 3.27Å; H67-N94 PolarHBondContact O-ND2 3.25Å; H67-D153 IonicContact CE1-OD2 3.83Å; H67-D153 IonicContact ND1-OD2 3.4Å |
| 68 | L | 94.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | -49.8 | -175.6 | -62.6 | 177.4 | 0 | 0 | 0 | 111.8 | Y59 C61 V92 V93 V95 L124 I145 M150 | Y59-L68 PolarHBondContact O-N 2.82Å; C61-L68 HydrophobicContact CB-CD1 4.05Å; C61-L68 HydrophobicContact CB-CD2 4.34Å; C61-L68 HydrophobicContact CB-CG 4.28Å; L68-V92 HydrophobicContact CB-CG1 4.38Å; L68-V92 CarbonylContact O-C 3.33Å; L68-V92 VanDerWaalsContact O-CA 3.3Å; L68-V92 WeakPolarHBondContact O-CA 3.19Å; L68-V92 WeakPolarHBondContact O-CG1 3.45Å; L68-V93 WeakPolarHBondContact O-CG2 3.45Å; L68-V93 PolarHBondContact O-N 2.8Å; L68-V95 HydrophobicContact CD2-CG1 3.85Å; L68-L124 HydrophobicContact CD1-CD1 3.86Å; L68-L124 HydrophobicContact CD1-CD2 4.48Å; L68-L124 HydrophobicContact CD2-CD1 3.57Å; L68-L124 HydrophobicContact CG-CD1 4.37Å; L68-I145 HydrophobicContact CB-CD1 4.3Å; L68-I145 HydrophobicContact CD1-CD1 4.44Å; L68-M150 HydrophobicContact CD1-CG 4.4Å |
| 69 | A | 94.5 | Very high | 93.7 | Very high | 2 Ų | 2 | 46.2 Ų | 46.2 | 2% | 0.017 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 156.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y59 F89 V92 | Y59-A69 PolarHBondContact N-O 2.94Å; Y59-A69 PolarHBondContact O-N 3.18Å; A69-F89 HydrophobicContact CB-CD1 3.6Å; A69-F89 HydrophobicContact CB-CE1 3.7Å; A69-F89 HydrophobicContact CB-CG 4.12Å; A69-F89 HydrophobicContact CB-CZ 4.29Å; A69-V92 HydrophobicContact CB-CG2 4.47Å |
| 70 | N | 91.8 | Very high | 93.7 | Very high | 26 Ų | 26 | 53.6 Ų | 53.6 | 14% | 0.139 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 159.4 | 167.1 | -81.7 | -18.8 | 0 | 0 | 0 | 110.9 | L52 D72 D73 | L52-N70 WeakPolarHBondContact CB-OD1 3.25Å; L52-N70 WeakPolarHBondContact CD1-OD1 3.35Å; N70-D72 PolarHBondContact O-N 2.89Å; N70-D73 PolarHBondContact O-N 2.77Å |
| 71 | H | 91.8 | Very high | 93.4 | Very high | 42 Ų | 42 | 54.5 Ų | 54.5 | 19% | 0.194 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -64.6 | -30.2 | 170.1 | -174.8 | 60.6 | 0 | 0 | 0 | 112.5 | R57 Y59 D73 L74 W156 | R57-H71 HydrophobicContact CB-CB 3.58Å; R57-H71 PolarHBondContact NE-CD2 2.92Å; R57-H71 WeakPolarHBondContact O-CB 3.26Å; R57-H71 PolarHBondContact O-N 2.88Å; Y59-H71 HydrophobicContact CE2-CB 4.42Å; H71-D73 PolarHBondContact O-N 3.49Å; H71-L74 VanDerWaalsContact CE1-CD2 3.49Å; H71-L74 WeakPolarHBondContact CE1-CD2 3.32Å; H71-L74 WeakPolarHBondContact O-CB 3.37Å; H71-L74 PolarHBondContact O-N 2.76Å; H71-W156 HydrophobicContact CB-CH2 4.2Å; H71-W156 HydrophobicContact CB-CZ2 4.33Å; H71-W156 AromaticContact CE1-CH2 3.79Å; H71-W156 AromaticContact CE1-CZ3 3.72Å; H71-W156 AromaticContact CG-CH2 3.78Å; H71-W156 AromaticContact ND1-CH2 3.19Å; H71-W156 WeakPolarHBondContact ND1-CH2 3.29Å; H71-W156 AromaticContact ND1-CZ3 3.58Å |
| 72 | D | 90.9 | Very high | 93 | Very high | 104 Ų | 104 | 59.6 Ų | 59.6 | 56% | 0.556 | 32% | 0.32 | S | S | * | . | G | 310 helix | trans | -77.4 | -11.3 | -174.8 | -39.5 | -67.4 | 0 | 0 | 0 | 112.1 | C55 R57 N70 | C55-D72 PolarHBondContact SG-OD2 2.97Å; R57-D72 IonicContact NH2-OD1 2.98Å; R57-D72 PolarHBondContact NH2-OD1 3.31Å; N70-D72 PolarHBondContact O-N 2.89Å |
| 73 | D | 93.4 | Very high | 92.7 | Very high | 36 Ų | 36 | 62.9 Ų | 62.9 | 19% | 0.193 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -86.1 | -2.8 | 165.8 | -86.1 | -68.2 | 0 | 0 | 0 | 113.4 | N70 H71 I75 F89 N90 S91 | N70-D73 PolarHBondContact O-N 2.77Å; H71-D73 PolarHBondContact O-N 3.49Å; D73-I75 PolarHBondContact O-N 3.46Å; D73-F89 HydrophobicContact CB-CD1 4.43Å; D73-F89 CarbonylContact O-C 3.56Å; D73-F89 WeakPolarHBondContact O-CA 3.47Å; D73-N90 HydrophobicContact CB-CB 4.26Å; D73-N90 WeakPolarHBondContact O-CB 3.24Å; D73-N90 PolarHBondContact O-N 2.93Å; D73-N90 WeakPolarHBondContact OD1-CB 3.23Å; D73-N90 PolarHBondContact OD1-ND2 3.08Å; D73-S91 VanDerWaalsContact OD1-CB 3.29Å; D73-S91 WeakPolarHBondContact OD1-CB 3.24Å; D73-S91 PolarHBondContact OD1-N 3.09Å |
| 74 | L | 94.6 | Very high | 92.6 | Very high | 33 Ų | 33 | 58.8 Ų | 58.8 | 17% | 0.173 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 112.2 | -177.7 | -177.8 | 70.7 | 0 | 0 | 0 | 111.3 | H71 K77 Y87 F89 | H71-L74 VanDerWaalsContact CE1-CD2 3.49Å; H71-L74 WeakPolarHBondContact CE1-CD2 3.32Å; H71-L74 WeakPolarHBondContact O-CB 3.37Å; H71-L74 PolarHBondContact O-N 2.76Å; L74-K77 HydrophobicContact CD2-CD 4.31Å; L74-K77 HydrophobicContact CD2-CG 3.78Å; L74-Y87 HydrophobicContact CD1-CD2 3.87Å; L74-Y87 HydrophobicContact CD1-CG 3.9Å; L74-F89 HydrophobicContact CB-CD1 4.36Å; L74-F89 HydrophobicContact CB-CE1 4.13Å; L74-F89 HydrophobicContact CD1-CD1 4.23Å; L74-F89 HydrophobicContact CD1-CE1 3.8Å; L74-F89 HydrophobicContact CD1-CE2 4.38Å; L74-F89 HydrophobicContact CD1-CZ 3.89Å |
| 75 | I | 95.3 | Very high | 92.7 | Very high | 78 Ų | 78 | 65.2 Ų | 65.2 | 40% | 0.4 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | -44 | 177.1 | -58.8 | 176 | 0 | 0 | 0 | 111 | D73 L88 N90 K142 | D73-I75 PolarHBondContact O-N 3.46Å; I75-L88 HydrophobicContact CB-CB 4.46Å; I75-L88 HydrophobicContact CB-CD2 3.96Å; I75-L88 HydrophobicContact CB-CG 4.14Å; I75-L88 HydrophobicContact CD1-CD2 4.33Å; I75-L88 HydrophobicContact CD1-CG 4.4Å; I75-L88 HydrophobicContact CG2-CD2 3.79Å; I75-L88 PolarHBondContact N-O 2.97Å; I75-N90 HydrophobicContact CD1-CB 3.88Å; I75-N90 HydrophobicContact CG1-CB 3.98Å; I75-K142 HydrophobicContact CD1-CD 3.72Å; I75-K142 HydrophobicContact CD1-CG 4.06Å |
| 76 | S | 94.8 | Very high | 92.8 | Very high | 29 Ų | 29 | 57.7 Ų | 57.7 | 20% | 0.203 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 144.1 | 180 | -177.3 | 0 | 0 | 0 | 0 | 114.5 | S78 L88 | S76-S78 WeakPolarHBondContact OG-CB 3.34Å; S76-S78 PolarHBondContact OG-N 2.79Å; S76-S78 PolarHBondContact OG-OG 2.68Å; S76-L88 PolarHBondContact N-O 3.42Å; S76-L88 PolarHBondContact O-N 3.13Å |
| 77 | K | 94.8 | Very high | 93 | Very high | 94 Ų | 94 | 58 Ų | 58 | 41% | 0.409 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | -1.6 | 170.1 | -61.5 | -176.8 | -178.9 | 177 | 0 | 113.6 | L74 F79 Y87 | L74-K77 HydrophobicContact CD2-CD 4.31Å; L74-K77 HydrophobicContact CD2-CG 3.78Å; K77-F79 PolarHBondContact O-N 2.94Å; K77-Y87 HydrophobicContact CB-CD1 3.95Å; K77-Y87 HydrophobicContact CB-CE1 3.55Å; K77-Y87 HydrophobicContact CD-CE1 4.37Å; K77-Y87 HydrophobicContact CG-CD1 4.11Å; K77-Y87 HydrophobicContact CG-CE1 3.7Å; K77-Y87 HydrophobicContact CG-CE2 4.28Å |
| 78 | S | 92.9 | Very high | 93.2 | Very high | 97 Ų | 97 | 56.5 Ų | 56.5 | 68% | 0.678 | 30% | 0.302 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 23 | -169.1 | 76.4 | 0 | 0 | 0 | 0 | 115.2 | S76 | S76-S78 WeakPolarHBondContact OG-CB 3.34Å; S76-S78 PolarHBondContact OG-N 2.79Å; S76-S78 PolarHBondContact OG-OG 2.68Å |
| 79 | F | 93.6 | Very high | 93.3 | Very high | 33 Ų | 33 | 56.5 Ų | 56.5 | 15% | 0.145 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 158.4 | -178.2 | -78.8 | -102 | 0 | 0 | 0 | 111.5 | K77 A86 L88 I144 | K77-F79 PolarHBondContact O-N 2.94Å; F79-A86 CarbonylContact C-O 3.52Å; F79-A86 WeakPolarHBondContact CA-O 3.3Å; F79-A86 VanDerWaalsContact CB-O 3.29Å; F79-A86 WeakPolarHBondContact CB-O 3.41Å; F79-A86 PolarHBondContact N-O 2.99Å; F79-A86 PolarHBondContact O-N 3.13Å; F79-L88 HydrophobicContact CD2-CB 3.76Å; F79-L88 HydrophobicContact CE2-CB 3.78Å; F79-L88 HydrophobicContact CE2-CD2 3.72Å; F79-L88 HydrophobicContact CE2-CG 4.29Å; F79-L88 HydrophobicContact CG-CB 4.34Å; F79-L88 HydrophobicContact CZ-CB 4.37Å; F79-L88 HydrophobicContact CZ-CD2 3.8Å; F79-L88 HydrophobicContact CZ-CG 4.49Å; F79-I144 HydrophobicContact CB-CD1 3.97Å; F79-I144 HydrophobicContact CD1-CD1 3.49Å; F79-I144 VanDerWaalsContact CD1-CD1 3.49Å; F79-I144 HydrophobicContact CE1-CD1 4.09Å; F79-I144 HydrophobicContact CG-CD1 3.74Å |
| 80 | Q | 92.6 | Very high | 93.4 | Very high | 158 Ų | 158 | 59.9 Ų | 59.9 | 74% | 0.738 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 142.7 | 177.3 | -65.5 | 178.3 | -65.6 | 0 | 0 | 108.8 | G84 | Q80-G84 CarbonylContact C-O 3.5Å; Q80-G84 VanDerWaalsContact CA-O 3.26Å; Q80-G84 WeakPolarHBondContact CA-O 3.47Å |
| 81 | G | 88.3 | Confident | 93.5 | Very high | 19 Ų | 19 | 61.1 Ų | 61.1 | 20% | 0.196 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | -169.7 | 171 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q83 G84 E146 | G81-Q83 VanDerWaalsContact C-N 3.27Å; G81-Q83 PolarHBondContact O-N 2.7Å; G81-G84 PolarHBondContact N-O 3.14Å; G81-E146 VanDerWaalsContact CA-OE1 3.24Å; G81-E146 WeakPolarHBondContact CA-OE1 3.39Å |
| 82 | S | 87.7 | Confident | 93.7 | Very high | 107 Ų | 107 | 59.7 Ų | 59.7 | 75% | 0.748 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -22.7 | -179.4 | 55.3 | 0 | 0 | 0 | 0 | 112.9 | E146 | S82-E146 PolarHBondContact N-OE1 3.19Š|
| 83 | Q | 88.3 | Confident | 93.9 | Very high | 99 Ų | 99 | 56.4 Ų | 56.4 | 46% | 0.463 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | 4.9 | 180 | -47.1 | -173.4 | 21.1 | 0 | 0 | 114.1 | G81 E146 N148 H149 | G81-Q83 VanDerWaalsContact C-N 3.27Å; G81-Q83 PolarHBondContact O-N 2.7Å; Q83-E146 VanDerWaalsContact CG-OE2 3.23Å; Q83-E146 WeakPolarHBondContact CG-OE2 3.29Å; Q83-E146 PolarHBondContact N-OE1 3.18Å; Q83-N148 WeakPolarHBondContact CB-ND2 3.39Å; Q83-N148 PolarHBondContact O-ND2 2.86Å; Q83-H149 PolarHBondContact NE2-NE2 3.26Å; Q83-H149 VanDerWaalsContact NE2-NE2 3.18Å; Q83-H149 PolarHBondContact OE1-NE2 2.62Å; Q83-H149 VanDerWaalsContact OE1-NE2 3.14Å |
| 84 | G | 92.6 | Very high | 93.9 | Very high | 33 Ų | 33 | 55.8 Ų | 55.8 | 34% | 0.34 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 135.7 | -130.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q80 G81 | Q80-G84 CarbonylContact C-O 3.5Å; Q80-G84 VanDerWaalsContact CA-O 3.26Å; Q80-G84 WeakPolarHBondContact CA-O 3.47Å; G81-G84 PolarHBondContact N-O 3.14Å |
| 85 | R | 95.1 | Very high | 94 | Very high | 171 Ų | 171 | 55.3 Ų | 55.3 | 65% | 0.645 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 140.4 | 179.8 | -66.4 | -172.7 | -63.6 | -176.1 | 0.6 | 110.8 | L147 | R85-L147 HydrophobicContact CB-CD2 4.22Å; R85-L147 PolarHBondContact O-N 2.54Å |
| 86 | A | 96.4 | Very high | 94 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 153.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | F79 I144 I145 E146 | F79-A86 CarbonylContact C-O 3.52Å; F79-A86 WeakPolarHBondContact CA-O 3.3Å; F79-A86 VanDerWaalsContact CB-O 3.29Å; F79-A86 WeakPolarHBondContact CB-O 3.41Å; F79-A86 PolarHBondContact N-O 2.99Å; F79-A86 PolarHBondContact O-N 3.13Å; A86-I144 HydrophobicContact CB-CG2 3.64Å; A86-I145 CarbonylContact C-O 3.55Å; A86-I145 VanDerWaalsContact CA-O 3.26Å; A86-I145 WeakPolarHBondContact CA-O 3.36Å; A86-I145 WeakPolarHBondContact CB-O 3.48Å; A86-E146 HydrophobicContact CB-CG 4.22Å |
| 87 | Y | 96.6 | Very high | 94.1 | Very high | 25 Ų | 25 | 53.5 Ų | 53.5 | 10% | 0.098 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 141.1 | -178.8 | -73.4 | -5.5 | 0 | 0 | 0 | 110.9 | Y59 L74 K77 F89 I144 I145 L147 M150 | Y59-Y87 AromaticContact CE1-CD2 3.97Å; Y59-Y87 HydrophobicContact CE1-CD2 3.97Å; Y59-Y87 AromaticContact CE1-CE2 3.97Å; Y59-Y87 HydrophobicContact CE1-CE2 3.97Å; Y59-Y87 AromaticContact CZ-CD2 3.9Å; Y59-Y87 WeakPolarHBondContact OH-CD2 3.44Å; Y59-Y87 VanDerWaalsContact OH-CE2 3.31Å; Y59-Y87 WeakPolarHBondContact OH-CE2 3.19Å; L74-Y87 HydrophobicContact CD1-CD2 3.87Å; L74-Y87 HydrophobicContact CD1-CG 3.9Å; K77-Y87 HydrophobicContact CB-CD1 3.95Å; K77-Y87 HydrophobicContact CB-CE1 3.55Å; K77-Y87 HydrophobicContact CD-CE1 4.37Å; K77-Y87 HydrophobicContact CG-CD1 4.11Å; K77-Y87 HydrophobicContact CG-CE1 3.7Å; K77-Y87 HydrophobicContact CG-CE2 4.28Å; Y87-F89 HydrophobicContact CD2-CZ 4.35Å; Y87-I144 WeakPolarHBondContact O-CA 3.35Å; Y87-I145 PolarHBondContact N-O 2.91Å; Y87-I145 PolarHBondContact O-N 3.06Å; Y87-L147 HydrophobicContact CD1-CD1 3.62Å; Y87-L147 HydrophobicContact CD2-CD1 3.93Å; Y87-L147 HydrophobicContact CE1-CD1 3.77Å; Y87-L147 HydrophobicContact CE1-CD2 4.07Å; Y87-L147 HydrophobicContact CE2-CD1 4.05Å; Y87-L147 HydrophobicContact CE2-CD2 4.43Å; Y87-L147 HydrophobicContact CG-CD1 3.72Å; Y87-M150 HydrophobicContact CD2-CE 3.8Å; Y87-M150 HydrophobicContact CG-CE 4.35Å |
| 88 | L | 96.6 | Very high | 94.1 | Very high | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 124 | 175.5 | -176.6 | 74.6 | 0 | 0 | 0 | 110 | I75 S76 F79 Y128 K142 Y143 I144 | I75-L88 HydrophobicContact CB-CB 4.46Å; I75-L88 HydrophobicContact CB-CD2 3.96Å; I75-L88 HydrophobicContact CB-CG 4.14Å; I75-L88 HydrophobicContact CD1-CD2 4.33Å; I75-L88 HydrophobicContact CD1-CG 4.4Å; I75-L88 HydrophobicContact CG2-CD2 3.79Å; I75-L88 PolarHBondContact N-O 2.97Å; S76-L88 PolarHBondContact N-O 3.42Å; S76-L88 PolarHBondContact O-N 3.13Å; F79-L88 HydrophobicContact CD2-CB 3.76Å; F79-L88 HydrophobicContact CE2-CB 3.78Å; F79-L88 HydrophobicContact CE2-CD2 3.72Å; F79-L88 HydrophobicContact CE2-CG 4.29Å; F79-L88 HydrophobicContact CG-CB 4.34Å; F79-L88 HydrophobicContact CZ-CB 4.37Å; F79-L88 HydrophobicContact CZ-CD2 3.8Å; F79-L88 HydrophobicContact CZ-CG 4.49Å; L88-Y128 HydrophobicContact CD1-CD2 4.4Å; L88-Y128 HydrophobicContact CD1-CE2 4.1Å; L88-K142 HydrophobicContact CD1-CB 3.73Å; L88-K142 HydrophobicContact CG-CB 4.38Å; L88-Y143 CarbonylContact C-O 3.52Å; L88-Y143 WeakPolarHBondContact CA-O 3.3Å; L88-I144 HydrophobicContact CB-CD1 3.99Å; L88-I144 HydrophobicContact CD1-CD1 3.57Å; L88-I144 HydrophobicContact CD1-CG1 4.19Å; L88-I144 HydrophobicContact CG-CD1 4.4Å |
| 89 | F | 97.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 147 | -179.6 | -69.7 | -84 | 0 | 0 | 0 | 112.6 | Y59 A69 D73 L74 Y87 V92 Y143 I145 M150 | Y59-F89 HydrophobicContact CD1-CZ 4.4Å; Y59-F89 AromaticContact CD2-CE1 3.55Å; Y59-F89 HydrophobicContact CD2-CE1 3.55Å; Y59-F89 AromaticContact CD2-CZ 3.58Å; Y59-F89 HydrophobicContact CD2-CZ 3.58Å; Y59-F89 HydrophobicContact CE1-CZ 4.33Å; Y59-F89 AromaticContact CE2-CE1 3.45Å; Y59-F89 HydrophobicContact CE2-CE1 3.45Å; Y59-F89 VanDerWaalsContact CE2-CE1 3.45Å; Y59-F89 AromaticContact CE2-CZ 3.51Å; Y59-F89 HydrophobicContact CE2-CZ 3.51Å; Y59-F89 HydrophobicContact CG-CE1 4.4Å; Y59-F89 HydrophobicContact CG-CZ 4.01Å; Y59-F89 AromaticContact CZ-CZ 3.88Å; A69-F89 HydrophobicContact CB-CD1 3.6Å; A69-F89 HydrophobicContact CB-CE1 3.7Å; A69-F89 HydrophobicContact CB-CG 4.12Å; A69-F89 HydrophobicContact CB-CZ 4.29Å; D73-F89 HydrophobicContact CB-CD1 4.43Å; D73-F89 CarbonylContact O-C 3.56Å; D73-F89 WeakPolarHBondContact O-CA 3.47Å; L74-F89 HydrophobicContact CB-CD1 4.36Å; L74-F89 HydrophobicContact CB-CE1 4.13Å; L74-F89 HydrophobicContact CD1-CD1 4.23Å; L74-F89 HydrophobicContact CD1-CE1 3.8Å; L74-F89 HydrophobicContact CD1-CE2 4.38Å; L74-F89 HydrophobicContact CD1-CZ 3.89Å; Y87-F89 HydrophobicContact CD2-CZ 4.35Å; F89-V92 HydrophobicContact CB-CG2 3.87Å; F89-V92 HydrophobicContact CG-CG2 4.43Å; F89-Y143 PolarHBondContact N-O 2.84Å; F89-Y143 PolarHBondContact O-N 2.78Å; F89-I145 HydrophobicContact CD2-CB 4.37Å; F89-I145 HydrophobicContact CD2-CD1 3.94Å; F89-I145 HydrophobicContact CD2-CG1 4.13Å; F89-I145 HydrophobicContact CE2-CB 4.16Å; F89-I145 HydrophobicContact CE2-CD1 4.03Å; F89-I145 HydrophobicContact CE2-CG1 4.32Å; F89-M150 HydrophobicContact CE2-CE 4.01Å; F89-M150 HydrophobicContact CE2-SD 3.8Å; F89-M150 HydrophobicContact CZ-CE 4.12Å; F89-M150 HydrophobicContact CZ-SD 3.86Å |
| 90 | N | 96.3 | Very high | 94.4 | Very high | 73 Ų | 73 | 52.2 Ų | 52.2 | 39% | 0.39 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -74.7 | -42.8 | 175 | 175.1 | 66.8 | 0 | 0 | 0 | 112.7 | D73 I75 K142 | D73-N90 HydrophobicContact CB-CB 4.26Å; D73-N90 WeakPolarHBondContact O-CB 3.24Å; D73-N90 PolarHBondContact O-N 2.93Å; D73-N90 WeakPolarHBondContact OD1-CB 3.23Å; D73-N90 PolarHBondContact OD1-ND2 3.08Å; I75-N90 HydrophobicContact CD1-CB 3.88Å; I75-N90 HydrophobicContact CG1-CB 3.98Å; N90-K142 PolarHBondContact OD1-NZ 3.04Å |
| 91 | S | 94.4 | Very high | 94.5 | Very high | 51 Ų | 51 | 49.2 Ų | 49.2 | 36% | 0.357 | 30% | 0.298 | S | S | . | . | trans | -138.4 | 149.4 | 177.8 | -167.7 | 0 | 0 | 0 | 0 | 110.3 | D73 | D73-S91 VanDerWaalsContact OD1-CB 3.29Å; D73-S91 WeakPolarHBondContact OD1-CB 3.24Å; D73-S91 PolarHBondContact OD1-N 3.09Å | ||
| 92 | V | 95.2 | Very high | 94.9 | Very high | 13 Ų | 13 | 54.4 Ų | 54.4 | 8% | 0.079 | 32% | 0.317 | C | S | . | . | trans | -143.4 | 137.3 | 176.3 | -177.7 | 0 | 0 | 0 | 0 | 108.4 | L68 A69 F89 V95 Y143 I145 | L68-V92 HydrophobicContact CB-CG1 4.38Å; L68-V92 CarbonylContact O-C 3.33Å; L68-V92 VanDerWaalsContact O-CA 3.3Å; L68-V92 WeakPolarHBondContact O-CA 3.19Å; L68-V92 WeakPolarHBondContact O-CG1 3.45Å; A69-V92 HydrophobicContact CB-CG2 4.47Å; F89-V92 HydrophobicContact CB-CG2 3.87Å; F89-V92 HydrophobicContact CG-CG2 4.43Å; V92-V95 HydrophobicContact CB-CG2 4.08Å; V92-V95 HydrophobicContact CG1-CB 4.27Å; V92-V95 HydrophobicContact CG1-CG1 3.63Å; V92-V95 HydrophobicContact CG1-CG2 3.59Å; V92-Y143 HydrophobicContact CB-CD1 4.09Å; V92-Y143 HydrophobicContact CB-CD2 4.15Å; V92-Y143 HydrophobicContact CB-CE1 4.45Å; V92-Y143 HydrophobicContact CB-CG 3.94Å; V92-Y143 HydrophobicContact CG2-CD1 4.06Å; V92-Y143 HydrophobicContact CG2-CD2 3.76Å; V92-Y143 HydrophobicContact CG2-CG 3.47Å; V92-Y143 VanDerWaalsContact CG2-CG 3.47Å; V92-I145 HydrophobicContact CG1-CD1 3.95Å; V92-I145 HydrophobicContact CG2-CD1 3.91Å | ||
| 93 | V | 94.7 | Very high | 95.2 | Very high | 34 Ų | 34 | 52.4 Ų | 52.4 | 21% | 0.206 | 29% | 0.293 | C | S | . | . | trans | -113.6 | 162.2 | -179.4 | -65.5 | 0 | 0 | 0 | 0 | 111.7 | L52 L68 V95 | L52-V93 HydrophobicContact CD1-CG2 4.02Å; L52-V93 HydrophobicContact CD2-CG1 4.16Å; L52-V93 HydrophobicContact CD2-CG2 3.92Å; L52-V93 HydrophobicContact CG-CG2 4.06Å; L68-V93 WeakPolarHBondContact O-CG2 3.45Å; L68-V93 PolarHBondContact O-N 2.8Å; V93-V95 PolarHBondContact O-N 3.48Å | ||
| 94 | N | 94.6 | Very high | 95.4 | Very high | 23 Ų | 23 | 53.4 Ų | 53.4 | 12% | 0.123 | 31% | 0.306 | C | S | . | . | S | Bend | trans | 56.7 | 33.1 | 178.6 | -45.8 | -56.4 | 0 | 0 | 0 | 113.5 | H67 E118 | H67-N94 PolarHBondContact O-ND2 3.25Å; N94-E118 PolarHBondContact O-N 2.88Å |
| 95 | V | 96.2 | Very high | 95.3 | Very high | 23 Ų | 23 | 54.3 Ų | 54.3 | 14% | 0.139 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 135.5 | 176.5 | -64.8 | 0 | 0 | 0 | 0 | 112 | L68 V92 V93 H116 L124 | L68-V95 HydrophobicContact CD2-CG1 3.85Å; V92-V95 HydrophobicContact CB-CG2 4.08Å; V92-V95 HydrophobicContact CG1-CB 4.27Å; V92-V95 HydrophobicContact CG1-CG1 3.63Å; V92-V95 HydrophobicContact CG1-CG2 3.59Å; V93-V95 PolarHBondContact O-N 3.48Å; V95-H116 CarbonylContact C-O 3.56Å; V95-H116 VanDerWaalsContact CA-O 3.29Å; V95-H116 WeakPolarHBondContact CA-O 3.15Å; V95-L124 HydrophobicContact CG1-CD1 3.58Å |
| 96 | G | 95.5 | Very high | 95 | Very high | 13 Ų | 13 | 54.8 Ų | 54.8 | 13% | 0.134 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 140.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | I115 H116 | G96-I115 WeakPolarHBondContact O-CA 3.48Å; G96-H116 PolarHBondContact N-O 2.86Å; G96-H116 PolarHBondContact O-CE1 3.46Å; G96-H116 PolarHBondContact O-N 3.27Å; G96-H116 PolarHBondContact O-ND1 2.9Å; G96-H116 VanDerWaalsContact O-ND1 3.13Å |
| 97 | C | 96.3 | Very high | 94.6 | Very high | 57 Ų | 57 | 57.2 Ų | 57.2 | 39% | 0.385 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 141.6 | 171.4 | -59.6 | 0 | 0 | 0 | 0 | 110.1 | A113 D114 | C97-A113 HydrophobicContact CB-CB 4.42Å; C97-D114 CarbonylContact C-O 3.54Å |
| 98 | G | 95.4 | Very high | 94.3 | Very high | 31 Ų | 31 | 57.4 Ų | 57.4 | 32% | 0.32 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | -167.8 | 167.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | D114 | G98-D114 PolarHBondContact N-O 3.08Å |
| 99 | P | 96.3 | Very high | 94.2 | Very high | 101 Ų | 101 | 60.6 Ų | 60.6 | 66% | 0.656 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 153.9 | 167.3 | 30.4 | -35.2 | 0 | 0 | 0 | 110.8 | A113 | P99-A113 WeakPolarHBondContact O-CA 3.28Å |
| 100 | A | 95.5 | Very high | 94.1 | Very high | 65 Ų | 65 | 60.7 Ų | 60.7 | 54% | 0.537 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 130.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110 | E129 | A100-E129 HydrophobicContact CB-CB 4.44Å; A100-E129 HydrophobicContact CB-CG 4Å |
| 101 | E | 96.1 | Very high | 94.2 | Very high | 94 Ų | 94 | 57.7 Ų | 57.7 | 44% | 0.439 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 140.2 | 178 | -66.9 | -177.3 | 176.6 | 0 | 0 | 110.5 | R103 A111 V112 | E101-R103 HydrophobicContact CB-CG 4.41Å; E101-R103 IonicContact OE2-CZ 3.56Å; E101-R103 IonicContact OE2-NE 3.16Å; E101-R103 PolarHBondContact OE2-NE 3.29Å; E101-R103 VanDerWaalsContact OE2-NE 3.16Å; E101-R103 IonicContact OE2-NH2 2.74Å; E101-R103 PolarHBondContact OE2-NH2 2.91Å; E101-A111 WeakPolarHBondContact O-CA 3.21Å; E101-V112 PolarHBondContact N-O 2.88Å; E101-V112 PolarHBondContact O-N 3.33Å |
| 102 | E | 95.6 | Very high | 94.3 | Very high | 128 Ų | 128 | 55.3 Ų | 55.3 | 60% | 0.598 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79 | 123.7 | 173.2 | -71.8 | -173.8 | -171.6 | 0 | 0 | 110.7 | L109 H110 A111 F132 | E102-L109 HydrophobicContact CB-CD1 4.29Å; E102-H110 WeakPolarHBondContact CA-O 3.41Å; E102-A111 HydrophobicContact CG-CB 4.39Å; E102-F132 HydrophobicContact CG-CE2 4.39Å |
| 103 | R | 94.8 | Very high | 94.4 | Very high | 65 Ų | 65 | 54.8 Ų | 54.8 | 25% | 0.245 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 135.2 | -177.6 | -55.5 | -173 | -171.5 | 154.8 | -7.3 | 110 | E101 H110 V112 D114 | E101-R103 HydrophobicContact CB-CG 4.41Å; E101-R103 IonicContact OE2-CZ 3.56Å; E101-R103 IonicContact OE2-NE 3.16Å; E101-R103 PolarHBondContact OE2-NE 3.29Å; E101-R103 VanDerWaalsContact OE2-NE 3.16Å; E101-R103 IonicContact OE2-NH2 2.74Å; E101-R103 PolarHBondContact OE2-NH2 2.91Å; R103-H110 PolarHBondContact N-O 3.02Å; R103-H110 PolarHBondContact O-N 2.98Å; R103-V112 HydrophobicContact CB-CG2 4.14Å; R103-V112 HydrophobicContact CG-CG2 3.88Å; R103-D114 IonicContact CZ-OD1 2.73Å; R103-D114 IonicContact CZ-OD2 3.46Å; R103-D114 IonicContact NH1-OD1 3.85Å; R103-D114 PolarHBondContact NH1-OD1 3.06Å; R103-D114 IonicContact NH1-OD2 3.53Å; R103-D114 PolarHBondContact NH1-OD2 3.46Å; R103-D114 IonicContact NH2-OD1 3.92Å; R103-D114 IonicContact NH2-OD2 3.59Å; R103-D114 PolarHBondContact NH2-OD2 2.98Å |
| 104 | V | 92.9 | Very high | 94.5 | Very high | 120 Ų | 120 | 55.8 Ų | 55.8 | 73% | 0.727 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82 | 120.1 | 173.9 | -180 | 0 | 0 | 0 | 0 | 108.5 | L109 | V104-L109 HydrophobicContact CG2-CD1 3.87Å |
| 105 | L | 90.2 | Very high | 94.7 | Very high | 53 Ų | 53 | 54.7 Ų | 54.7 | 28% | 0.277 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 173.5 | 177.6 | -58 | 178.1 | 0 | 0 | 0 | 109.8 | T107 G108 H110 V112 Y128 | L105-T107 PolarHBondContact O-N 3.43Å; L105-G108 PolarHBondContact N-O 2.89Å; L105-G108 PolarHBondContact O-N 3.02Å; L105-H110 HydrophobicContact CD1-CB 4.22Å; L105-V112 HydrophobicContact CD1-CG1 4.44Å; L105-Y128 HydrophobicContact CD1-CE1 3.75Å |
| 106 | L | 87.6 | Confident | 94.7 | Very high | 181 Ų | 181 | 56 Ų | 56 | 95% | 0.948 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | -28.5 | 180 | -176.1 | 62.9 | 0 | 0 | 0 | 113.8 | ||
| 107 | T | 88 | Confident | 94.7 | Very high | 50 Ų | 50 | 55.3 Ų | 55.3 | 31% | 0.307 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | 29.1 | 177.3 | 65.3 | 0 | 0 | 0 | 0 | 113.1 | L105 H110 Q136 K139 | L105-T107 PolarHBondContact O-N 3.43Å; T107-H110 PolarHBondContact O-CE1 2.87Å; T107-H110 VanDerWaalsContact O-CE1 3.31Å; T107-H110 PolarHBondContact OG1-CE1 3.32Å; T107-Q136 PolarHBondContact OG1-OE1 3.08Å; T107-K139 PolarHBondContact OG1-NZ 2.83Å |
| 108 | G | 91.9 | Very high | 94.7 | Very high | 30 Ų | 30 | 56 Ų | 56 | 31% | 0.309 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 96.5 | -167.3 | 177 | 0 | 0 | 0 | 0 | 0 | 115.3 | L105 H110 | L105-G108 PolarHBondContact N-O 2.89Å; L105-G108 PolarHBondContact O-N 3.02Å; G108-H110 PolarHBondContact O-CE1 2.86Å; G108-H110 PolarHBondContact O-ND1 3.22Å |
| 109 | L | 93.8 | Very high | 94.6 | Very high | 68 Ų | 68 | 60.1 Ų | 60.1 | 36% | 0.356 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 133.8 | -178.7 | -172 | 68.4 | 0 | 0 | 0 | 111.6 | E102 V104 F132 | E102-L109 HydrophobicContact CB-CD1 4.29Å; V104-L109 HydrophobicContact CG2-CD1 3.87Å; L109-F132 HydrophobicContact CB-CD2 4.07Å; L109-F132 HydrophobicContact CD2-CD2 3.77Å; L109-F132 HydrophobicContact CD2-CE2 3.86Å; L109-F132 HydrophobicContact CD2-CG 4.31Å; L109-F132 HydrophobicContact CD2-CZ 4.47Å; L109-F132 HydrophobicContact CG-CD2 3.71Å; L109-F132 HydrophobicContact CG-CE2 3.92Å; L109-F132 WeakPolarHBondContact O-CD2 3.26Å |
| 110 | H | 96.1 | Very high | 94.6 | Very high | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 144.9 | 174.9 | -59.2 | 68.3 | 0 | 0 | 0 | 110 | E102 R103 L105 T107 G108 V112 Y128 Q130 | E102-H110 WeakPolarHBondContact CA-O 3.41Å; R103-H110 PolarHBondContact N-O 3.02Å; R103-H110 PolarHBondContact O-N 2.98Å; L105-H110 HydrophobicContact CD1-CB 4.22Å; T107-H110 PolarHBondContact O-CE1 2.87Å; T107-H110 VanDerWaalsContact O-CE1 3.31Å; T107-H110 PolarHBondContact OG1-CE1 3.32Å; G108-H110 PolarHBondContact O-CE1 2.86Å; G108-H110 PolarHBondContact O-ND1 3.22Å; H110-V112 HydrophobicContact CB-CG1 4.07Å; H110-Y128 HydrophobicContact CB-CD1 4.22Å; H110-Y128 HydrophobicContact CB-CE1 4.37Å; H110-Y128 AromaticContact CD2-CD1 3.66Å; H110-Y128 AromaticContact CD2-CE1 3.58Å; H110-Q130 CarbonylContact C-O 3.53Å; H110-Q130 VanDerWaalsContact CA-O 3.31Å; H110-Q130 WeakPolarHBondContact CA-O 3.31Å |
| 111 | A | 96.8 | Very high | 94.6 | Very high | 11 Ų | 11 | 60.2 Ų | 60.2 | 9% | 0.091 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 123.1 | 160.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | E101 E102 E129 Q130 | E101-A111 WeakPolarHBondContact O-CA 3.21Å; E102-A111 HydrophobicContact CG-CB 4.39Å; A111-E129 PolarHBondContact O-N 2.82Å; A111-Q130 HydrophobicContact CB-CB 3.84Å; A111-Q130 PolarHBondContact N-O 3Å; A111-Q130 PolarHBondContact O-N 2.96Å |
| 112 | V | 96.9 | Very high | 94.6 | Very high | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.006 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 144.5 | -178.1 | -63.7 | 0 | 0 | 0 | 0 | 110.7 | E101 R103 L105 H110 W126 K127 Y128 | E101-V112 PolarHBondContact N-O 2.88Å; E101-V112 PolarHBondContact O-N 3.33Å; R103-V112 HydrophobicContact CB-CG2 4.14Å; R103-V112 HydrophobicContact CG-CG2 3.88Å; L105-V112 HydrophobicContact CD1-CG1 4.44Å; H110-V112 HydrophobicContact CB-CG1 4.07Å; V112-W126 HydrophobicContact CB-CB 4.41Å; V112-K127 CarbonylContact C-O 3.56Å; V112-K127 VanDerWaalsContact CA-O 3.22Å; V112-K127 WeakPolarHBondContact CA-O 3.3Å; V112-K127 WeakPolarHBondContact CB-O 3.32Å; V112-Y128 HydrophobicContact CG1-CD1 3.7Å; V112-Y128 HydrophobicContact CG1-CE1 4.09Å; V112-Y128 HydrophobicContact CG1-CG 4.43Å |
| 113 | A | 97.8 | Very high | 94.6 | Very high | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.008 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 127.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | C97 P99 I115 W126 K127 E129 | C97-A113 HydrophobicContact CB-CB 4.42Å; P99-A113 WeakPolarHBondContact O-CA 3.28Å; A113-I115 PolarHBondContact O-N 2.95Å; A113-W126 CarbonylContact O-C 3.55Å; A113-W126 VanDerWaalsContact O-CA 3.3Å; A113-W126 WeakPolarHBondContact O-CA 3.41Å; A113-W126 WeakPolarHBondContact O-CB 3.27Å; A113-K127 PolarHBondContact N-O 2.88Å; A113-K127 PolarHBondContact O-N 3.1Å; A113-E129 HydrophobicContact CB-CG 3.92Å |
| 114 | D | 96.8 | Very high | 94.7 | Very high | 55 Ų | 55 | 52.1 Ų | 52.1 | 29% | 0.294 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 135.1 | 179.4 | -67.5 | -38.5 | 0 | 0 | 0 | 110.8 | C97 G98 R103 | C97-D114 CarbonylContact C-O 3.54Å; G98-D114 PolarHBondContact N-O 3.08Å; R103-D114 IonicContact CZ-OD1 2.73Å; R103-D114 IonicContact CZ-OD2 3.46Å; R103-D114 IonicContact NH1-OD1 3.85Å; R103-D114 PolarHBondContact NH1-OD1 3.06Å; R103-D114 IonicContact NH1-OD2 3.53Å; R103-D114 PolarHBondContact NH1-OD2 3.46Å; R103-D114 IonicContact NH2-OD1 3.92Å; R103-D114 IonicContact NH2-OD2 3.59Å; R103-D114 PolarHBondContact NH2-OD2 2.98Å |
| 115 | I | 97.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 138.1 | 179.3 | 55.9 | 155.7 | 0 | 0 | 0 | 111.2 | G96 A113 T123 L124 G125 K127 Y143 I145 | G96-I115 WeakPolarHBondContact O-CA 3.48Å; A113-I115 PolarHBondContact O-N 2.95Å; I115-T123 WeakPolarHBondContact O-CA 3.26Å; I115-L124 HydrophobicContact CD1-CB 4.23Å; I115-L124 HydrophobicContact CG1-CB 4.38Å; I115-L124 PolarHBondContact O-N 3.24Å; I115-G125 VanDerWaalsContact CG1-C 3.42Å; I115-G125 WeakPolarHBondContact CG1-O 3.45Å; I115-G125 PolarHBondContact N-O 2.74Å; I115-K127 HydrophobicContact CG2-CB 3.98Å; I115-Y143 HydrophobicContact CD1-CD1 4.34Å; I115-Y143 HydrophobicContact CG2-CD1 4.21Å; I115-Y143 HydrophobicContact CG2-CE1 4.43Å; I115-I145 HydrophobicContact CD1-CG1 4Å |
| 116 | H | 97.1 | Very high | 95.2 | Very high | 50 Ų | 50 | 45.7 Ų | 45.7 | 23% | 0.231 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 146.8 | 178.1 | 63.6 | -90.5 | 0 | 0 | 0 | 110.7 | V95 G96 E118 T122 | V95-H116 CarbonylContact C-O 3.56Å; V95-H116 VanDerWaalsContact CA-O 3.29Å; V95-H116 WeakPolarHBondContact CA-O 3.15Å; G96-H116 PolarHBondContact N-O 2.86Å; G96-H116 PolarHBondContact O-CE1 3.46Å; G96-H116 PolarHBondContact O-N 3.27Å; G96-H116 PolarHBondContact O-ND1 2.9Å; G96-H116 VanDerWaalsContact O-ND1 3.13Å; H116-E118 PolarHBondContact O-N 2.8Å; H116-T122 CarbonylContact C-O 3.6Å; H116-T122 VanDerWaalsContact CA-O 3.27Å; H116-T122 WeakPolarHBondContact CA-O 3.44Å |
| 117 | C | 96.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 128.5 | 175.3 | -178.3 | 0 | 0 | 0 | 0 | 110 | C64 N119 K121 T122 L124 | C64-C117 VanDerWaalsContact SG-SG 3.61Å; C117-N119 PolarHBondContact O-N 2.82Å; C117-K121 WeakPolarHBondContact O-CA 3.41Å; C117-K121 PolarHBondContact O-N 3.48Å; C117-T122 PolarHBondContact N-O 2.81Å; C117-L124 HydrophobicContact CB-CD1 4.02Å; C117-L124 HydrophobicContact CB-CD2 4.27Å; C117-L124 HydrophobicContact CB-CG 4.34Å |
| 118 | E | 95.8 | Very high | 96.1 | Very high | 71 Ų | 71 | 36.7 Ų | 36.7 | 33% | 0.332 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -31.2 | -179 | -75.6 | -164.1 | 107.7 | 0 | 0 | 112.8 | N94 H116 K121 | N94-E118 PolarHBondContact O-N 2.88Å; H116-E118 PolarHBondContact O-N 2.8Å; E118-K121 VanDerWaalsContact O-CE 3.24Å; E118-K121 WeakPolarHBondContact O-CE 3.24Å; E118-K121 PolarHBondContact O-NZ 3Å |
| 119 | N | 93.7 | Very high | 96.3 | Very high | 117 Ų | 117 | 38.6 Ų | 38.6 | 63% | 0.626 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -51.9 | -174.9 | -170.9 | 44.7 | 0 | 0 | 0 | 113.1 | C64 A66 C117 | C64-N119 PolarHBondContact SG-ND2 3.04Å; A66-N119 HydrophobicContact CB-CB 4.35Å; C117-N119 PolarHBondContact O-N 2.82Å |
| 120 | C | 95.3 | Very high | 96.4 | Very high | 44 Ų | 44 | 39.7 Ų | 39.7 | 30% | 0.297 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | -1.8 | -176.3 | 69.1 | 0 | 0 | 0 | 0 | 115.5 | C64 T122 | C64-C120 HydrophobicContact CB-CB 3.76Å; C64-C120 PolarHBondContact SG-SG 3.25Å; C120-T122 PolarHBondContact O-N 2.83Å; C120-T122 PolarHBondContact SG-OG1 3.29Å |
| 121 | K | 95.3 | Very high | 96.3 | Very high | 124 Ų | 124 | 39.7 Ų | 39.7 | 54% | 0.539 | 20% | 0.202 | S | C | . | . | trans | 60.1 | 6.5 | 179.6 | -53.5 | -50.9 | -171 | -167 | 0 | 116.7 | C117 E118 T123 | C117-K121 WeakPolarHBondContact O-CA 3.41Å; C117-K121 PolarHBondContact O-N 3.48Å; E118-K121 VanDerWaalsContact O-CE 3.24Å; E118-K121 WeakPolarHBondContact O-CE 3.24Å; E118-K121 PolarHBondContact O-NZ 3Å; K121-T123 PolarHBondContact O-N 2.79Å | ||
| 122 | T | 95.8 | Very high | 96.2 | Very high | 37 Ų | 37 | 44 Ų | 44 | 23% | 0.227 | 22% | 0.219 | C | C | . | . | trans | -62.6 | 131.2 | 169.2 | -42.9 | 0 | 0 | 0 | 0 | 110.7 | H116 C117 C120 | H116-T122 CarbonylContact C-O 3.6Å; H116-T122 VanDerWaalsContact CA-O 3.27Å; H116-T122 WeakPolarHBondContact CA-O 3.44Å; C117-T122 PolarHBondContact N-O 2.81Å; C120-T122 PolarHBondContact O-N 2.83Å; C120-T122 PolarHBondContact SG-OG1 3.29Å | ||
| 123 | T | 96.4 | Very high | 96 | Very high | 81 Ų | 81 | 48.7 Ų | 48.7 | 50% | 0.497 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 134.5 | 168.3 | -48.1 | 0 | 0 | 0 | 0 | 110.3 | I115 K121 H149 | I115-T123 WeakPolarHBondContact O-CA 3.26Å; K121-T123 PolarHBondContact O-N 2.79Å; T123-H149 PolarHBondContact O-CD2 2.79Å |
| 124 | L | 96.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | -19.8 | -175.6 | -55.8 | 177.5 | 0 | 0 | 0 | 113 | L68 V95 I115 C117 I145 E146 H149 | L68-L124 HydrophobicContact CD1-CD1 3.86Å; L68-L124 HydrophobicContact CD1-CD2 4.48Å; L68-L124 HydrophobicContact CD2-CD1 3.57Å; L68-L124 HydrophobicContact CG-CD1 4.37Å; V95-L124 HydrophobicContact CG1-CD1 3.58Å; I115-L124 HydrophobicContact CD1-CB 4.23Å; I115-L124 HydrophobicContact CG1-CB 4.38Å; I115-L124 PolarHBondContact O-N 3.24Å; C117-L124 HydrophobicContact CB-CD1 4.02Å; C117-L124 HydrophobicContact CB-CD2 4.27Å; C117-L124 HydrophobicContact CB-CG 4.34Å; L124-I145 HydrophobicContact CB-CG2 4.35Å; L124-I145 WeakPolarHBondContact O-CA 3.29Å; L124-E146 PolarHBondContact O-N 2.77Å; L124-H149 HydrophobicContact CD2-CB 3.83Å |
| 125 | G | 96.6 | Very high | 95.5 | Very high | 2 Ų | 2 | 53.7 Ų | 53.7 | 2% | 0.021 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 149.9 | -142.8 | -171.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | I115 I144 | I115-G125 VanDerWaalsContact CG1-C 3.42Å; I115-G125 WeakPolarHBondContact CG1-O 3.45Å; I115-G125 PolarHBondContact N-O 2.74Å; G125-I144 WeakPolarHBondContact CA-O 3.45Å |
| 126 | W | 97.2 | Very high | 95.4 | Very high | 36 Ų | 36 | 54.9 Ų | 54.9 | 14% | 0.136 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 155.1 | -178.9 | 49.9 | 86.1 | 0 | 0 | 0 | 112.9 | V112 A113 I144 | V112-W126 HydrophobicContact CB-CB 4.41Å; A113-W126 CarbonylContact O-C 3.55Å; A113-W126 VanDerWaalsContact O-CA 3.3Å; A113-W126 WeakPolarHBondContact O-CA 3.41Å; A113-W126 WeakPolarHBondContact O-CB 3.27Å; W126-I144 HydrophobicContact CD2-CB 4.45Å; W126-I144 HydrophobicContact CD2-CG2 4.42Å; W126-I144 HydrophobicContact CG-CB 4.42Å; W126-I144 HydrophobicContact CZ2-CG2 3.97Å; W126-I144 PolarHBondContact N-O 3.17Å; W126-I144 VanDerWaalsContact N-O 3.09Å; W126-I144 PolarHBondContact O-N 2.8Å |
| 127 | K | 97.3 | Very high | 95.3 | Very high | 32 Ų | 32 | 56.5 Ų | 56.5 | 14% | 0.139 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 142.2 | 167.4 | -178.5 | -169.9 | 157.2 | -149.6 | 0 | 109.5 | V112 A113 I115 E129 K142 Y143 | V112-K127 CarbonylContact C-O 3.56Å; V112-K127 VanDerWaalsContact CA-O 3.22Å; V112-K127 WeakPolarHBondContact CA-O 3.3Å; V112-K127 WeakPolarHBondContact CB-O 3.32Å; A113-K127 PolarHBondContact N-O 2.88Å; A113-K127 PolarHBondContact O-N 3.1Å; I115-K127 HydrophobicContact CG2-CB 3.98Å; K127-E129 VanDerWaalsContact CD-OE1 3.32Å; K127-E129 WeakPolarHBondContact CD-OE1 3.5Å; K127-E129 VanDerWaalsContact CE-OE1 3.3Å; K127-E129 WeakPolarHBondContact CE-OE1 3.29Å; K127-E129 WeakPolarHBondContact CE-OE2 3.31Å; K127-E129 IonicContact NZ-OE1 2.62Å; K127-E129 PolarHBondContact NZ-OE1 2.69Å; K127-E129 IonicContact NZ-OE2 3.26Å; K127-E129 PolarHBondContact NZ-OE2 2.7Å; K127-K142 WeakPolarHBondContact CA-O 3.25Å; K127-Y143 HydrophobicContact CB-CD1 3.77Å; K127-Y143 HydrophobicContact CB-CE1 3.9Å; K127-Y143 HydrophobicContact CD-CD1 4.29Å; K127-Y143 HydrophobicContact CD-CE1 3.6Å; K127-Y143 HydrophobicContact CG-CD1 3.9Å; K127-Y143 HydrophobicContact CG-CE1 3.72Å; K127-Y143 HydrophobicContact CG-CG 4.45Å |
| 128 | Y | 96.8 | Very high | 95.1 | Very high | 10 Ų | 10 | 62.7 Ų | 62.7 | 4% | 0.039 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 116.5 | 165.4 | -68.3 | -80.5 | 0 | 0 | 0 | 110 | L88 L105 H110 V112 K139 G141 K142 I144 | L88-Y128 HydrophobicContact CD1-CD2 4.4Å; L88-Y128 HydrophobicContact CD1-CE2 4.1Å; L105-Y128 HydrophobicContact CD1-CE1 3.75Å; H110-Y128 HydrophobicContact CB-CD1 4.22Å; H110-Y128 HydrophobicContact CB-CE1 4.37Å; H110-Y128 AromaticContact CD2-CD1 3.66Å; H110-Y128 AromaticContact CD2-CE1 3.58Å; V112-Y128 HydrophobicContact CG1-CD1 3.7Å; V112-Y128 HydrophobicContact CG1-CE1 4.09Å; V112-Y128 HydrophobicContact CG1-CG 4.43Å; Y128-K139 WeakPolarHBondContact CB-O 3.44Å; Y128-K139 HydrophobicContact CD1-CB 4.35Å; Y128-K139 HydrophobicContact CD2-CB 3.86Å; Y128-K139 HydrophobicContact CE1-CD 4.18Å; Y128-K139 HydrophobicContact CE2-CB 4.16Å; Y128-K139 HydrophobicContact CE2-CD 4.21Å; Y128-K139 HydrophobicContact CE2-CG 4.34Å; Y128-K139 HydrophobicContact CG-CB 3.97Å; Y128-G141 WeakPolarHBondContact O-CA 3.17Å; Y128-G141 PolarHBondContact O-N 3.37Å; Y128-K142 PolarHBondContact N-O 2.85Å; Y128-I144 HydrophobicContact CD2-CG1 4.43Å; Y128-I144 HydrophobicContact CE2-CD1 4.12Å; Y128-I144 HydrophobicContact CE2-CG1 3.66Å |
| 129 | E | 97.1 | Very high | 95 | Very high | 70 Ų | 70 | 59.6 Ų | 59.6 | 33% | 0.327 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | -42.8 | 171.5 | -63.8 | -61.9 | 165.5 | 0 | 0 | 110.9 | A100 A111 A113 K127 | A100-E129 HydrophobicContact CB-CB 4.44Å; A100-E129 HydrophobicContact CB-CG 4Å; A111-E129 PolarHBondContact O-N 2.82Å; A113-E129 HydrophobicContact CB-CG 3.92Å; K127-E129 VanDerWaalsContact CD-OE1 3.32Å; K127-E129 WeakPolarHBondContact CD-OE1 3.5Å; K127-E129 VanDerWaalsContact CE-OE1 3.3Å; K127-E129 WeakPolarHBondContact CE-OE1 3.29Å; K127-E129 WeakPolarHBondContact CE-OE2 3.31Å; K127-E129 IonicContact NZ-OE1 2.62Å; K127-E129 PolarHBondContact NZ-OE1 2.69Å; K127-E129 IonicContact NZ-OE2 3.26Å; K127-E129 PolarHBondContact NZ-OE2 2.7Å |
| 130 | Q | 95.4 | Very high | 95.1 | Very high | 90 Ų | 90 | 56.9 Ų | 56.9 | 42% | 0.421 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 144 | 179.2 | -150.2 | 174.1 | 30.5 | 0 | 0 | 112.4 | H110 A111 E140 | H110-Q130 CarbonylContact C-O 3.53Å; H110-Q130 VanDerWaalsContact CA-O 3.31Å; H110-Q130 WeakPolarHBondContact CA-O 3.31Å; A111-Q130 HydrophobicContact CB-CB 3.84Å; A111-Q130 PolarHBondContact N-O 3Å; A111-Q130 PolarHBondContact O-N 2.96Å; Q130-E140 VanDerWaalsContact CA-OE1 3.28Å; Q130-E140 WeakPolarHBondContact CA-OE1 3.43Å; Q130-E140 VanDerWaalsContact CG-OE1 3.25Å; Q130-E140 WeakPolarHBondContact CG-OE1 3.37Å |
| 131 | A | 94.6 | Very high | 95.1 | Very high | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.008 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 130.4 | 166.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | Q136 K137 E140 | A131-Q136 HydrophobicContact CB-CB 3.86Å; A131-K137 WeakPolarHBondContact O-CE 3.28Å; A131-K137 PolarHBondContact O-NZ 3.26Å; A131-E140 HydrophobicContact CB-CG 4.19Å; A131-E140 PolarHBondContact N-OE1 2.81Å |
| 132 | F | 92.8 | Very high | 95.2 | Very high | 101 Ų | 101 | 52.6 Ų | 52.6 | 44% | 0.443 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -82.1 | -24.3 | -176.6 | -69.6 | -86.1 | 0 | 0 | 0 | 113 | E102 L109 | E102-F132 HydrophobicContact CG-CE2 4.39Å; L109-F132 HydrophobicContact CB-CD2 4.07Å; L109-F132 HydrophobicContact CD2-CD2 3.77Å; L109-F132 HydrophobicContact CD2-CE2 3.86Å; L109-F132 HydrophobicContact CD2-CG 4.31Å; L109-F132 HydrophobicContact CD2-CZ 4.47Å; L109-F132 HydrophobicContact CG-CD2 3.71Å; L109-F132 HydrophobicContact CG-CE2 3.92Å; L109-F132 WeakPolarHBondContact O-CD2 3.26Å |
| 133 | E | 93.3 | Very high | 95.3 | Very high | 101 Ų | 101 | 52.7 Ų | 52.7 | 47% | 0.472 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -91.2 | 134.4 | 175.6 | -162.2 | -169.4 | 142.3 | 0 | 0 | 111.7 | S135 Q136 | E133-S135 VanDerWaalsContact C-N 3.27Å; E133-S135 PolarHBondContact O-N 3.32Å; E133-S135 WeakPolarHBondContact OE1-CB 3.39Å; E133-S135 PolarHBondContact OE1-OG 2.99Å; E133-Q136 HydrophobicContact CB-CG 4.19Å; E133-Q136 PolarHBondContact O-N 2.83Å |
| 134 | S | 92.1 | Very high | 95.4 | Very high | 106 Ų | 106 | 48.9 Ų | 48.9 | 74% | 0.741 | 24% | 0.244 | S | C | * | . | G | 310 helix | trans | -58.1 | -35.8 | -179.8 | 54.2 | 0 | 0 | 0 | 0 | 113.5 | Q136 K137 | S134-Q136 PolarHBondContact O-N 3.46Å; S134-K137 WeakPolarHBondContact O-CB 3.42Å; S134-K137 WeakPolarHBondContact O-CG 3.06Å; S134-K137 PolarHBondContact O-N 3.46Å |
| 135 | S | 93.4 | Very high | 95.4 | Very high | 55 Ų | 55 | 48.9 Ų | 48.9 | 39% | 0.385 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -63.8 | -21.8 | 177.7 | 74.9 | 0 | 0 | 0 | 0 | 113.4 | E133 Y138 | E133-S135 VanDerWaalsContact C-N 3.27Å; E133-S135 PolarHBondContact O-N 3.32Å; E133-S135 WeakPolarHBondContact OE1-CB 3.39Å; E133-S135 PolarHBondContact OE1-OG 2.99Å; S135-Y138 WeakPolarHBondContact O-CD1 3.36Å; S135-Y138 WeakPolarHBondContact O-CE1 3.32Å |
| 136 | Q | 94.6 | Very high | 95.4 | Very high | 24 Ų | 24 | 49.1 Ų | 49.1 | 11% | 0.112 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -100.8 | -4.8 | -176.1 | -55.7 | -51.6 | -54.2 | 0 | 0 | 113.1 | T107 A131 E133 S134 Y138 K139 | T107-Q136 PolarHBondContact OG1-OE1 3.08Å; A131-Q136 HydrophobicContact CB-CB 3.86Å; E133-Q136 HydrophobicContact CB-CG 4.19Å; E133-Q136 PolarHBondContact O-N 2.83Å; S134-Q136 PolarHBondContact O-N 3.46Å; Q136-Y138 PolarHBondContact O-N 2.84Å; Q136-Y138 VanDerWaalsContact O-N 3.08Å; Q136-K139 HydrophobicContact CB-CD 4.43Å; Q136-K139 VanDerWaalsContact O-CB 3.3Å; Q136-K139 WeakPolarHBondContact O-CB 3.3Å; Q136-K139 PolarHBondContact O-N 3.36Å |
| 137 | K | 94.1 | Very high | 95.3 | Very high | 85 Ų | 85 | 49.4 Ų | 49.4 | 37% | 0.37 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | -56.3 | -26.9 | -175.8 | -74.3 | -67.9 | -169.9 | -170.6 | 0 | 115.1 | A131 S134 K139 E140 | A131-K137 WeakPolarHBondContact O-CE 3.28Å; A131-K137 PolarHBondContact O-NZ 3.26Å; S134-K137 WeakPolarHBondContact O-CB 3.42Å; S134-K137 WeakPolarHBondContact O-CG 3.06Å; S134-K137 PolarHBondContact O-N 3.46Å; K137-K139 PolarHBondContact O-N 2.86Å; K137-K139 VanDerWaalsContact O-N 3.08Å; K137-E140 HydrophobicContact CD-CG 4.24Å; K137-E140 WeakPolarHBondContact CD-OE1 3.42Å; K137-E140 WeakPolarHBondContact CD-OE2 3.44Å; K137-E140 VanDerWaalsContact NZ-CD 3.3Å; K137-E140 IonicContact NZ-OE1 3.94Å; K137-E140 PolarHBondContact NZ-OE1 3.06Å; K137-E140 IonicContact NZ-OE2 3.89Å; K137-E140 PolarHBondContact NZ-OE2 3Å; K137-E140 WeakPolarHBondContact O-CB 3.39Å; K137-E140 PolarHBondContact O-N 3.22Å |
| 138 | Y | 93 | Very high | 95.1 | Very high | 130 Ų | 130 | 52.1 Ų | 52.1 | 51% | 0.51 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -60.9 | -17.6 | 175.1 | 73.7 | -90.7 | 0 | 0 | 0 | 113.9 | S135 Q136 K142 | S135-Y138 WeakPolarHBondContact O-CD1 3.36Å; S135-Y138 WeakPolarHBondContact O-CE1 3.32Å; Q136-Y138 PolarHBondContact O-N 2.84Å; Q136-Y138 VanDerWaalsContact O-N 3.08Å; Y138-K142 WeakPolarHBondContact O-CG 3.36Å |
| 139 | K | 94.3 | Very high | 95 | Very high | 5 Ų | 5 | 52.7 Ų | 52.7 | 2% | 0.022 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -80 | -18.4 | 175.3 | -65.4 | 171 | 170.1 | 167.6 | 0 | 113.4 | T107 Y128 Q136 K137 G141 K142 | T107-K139 PolarHBondContact OG1-NZ 2.83Å; Y128-K139 WeakPolarHBondContact CB-O 3.44Å; Y128-K139 HydrophobicContact CD1-CB 4.35Å; Y128-K139 HydrophobicContact CD2-CB 3.86Å; Y128-K139 HydrophobicContact CE1-CD 4.18Å; Y128-K139 HydrophobicContact CE2-CB 4.16Å; Y128-K139 HydrophobicContact CE2-CD 4.21Å; Y128-K139 HydrophobicContact CE2-CG 4.34Å; Y128-K139 HydrophobicContact CG-CB 3.97Å; Q136-K139 HydrophobicContact CB-CD 4.43Å; Q136-K139 VanDerWaalsContact O-CB 3.3Å; Q136-K139 WeakPolarHBondContact O-CB 3.3Å; Q136-K139 PolarHBondContact O-N 3.36Å; K137-K139 PolarHBondContact O-N 2.86Å; K137-K139 VanDerWaalsContact O-N 3.08Å; K139-G141 PolarHBondContact O-N 3.24Å; K139-K142 WeakPolarHBondContact O-CB 3.49Å; K139-K142 VanDerWaalsContact O-CG 3.25Å; K139-K142 WeakPolarHBondContact O-CG 3.31Å; K139-K142 PolarHBondContact O-N 2.88Å |
| 140 | E | 95.9 | Very high | 94.9 | Very high | 60 Ų | 60 | 49.9 Ų | 49.9 | 28% | 0.28 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | 134.8 | -175.9 | -64.9 | -172.5 | 150.3 | 0 | 0 | 111.4 | Q130 A131 K137 K142 | Q130-E140 VanDerWaalsContact CA-OE1 3.28Å; Q130-E140 WeakPolarHBondContact CA-OE1 3.43Å; Q130-E140 VanDerWaalsContact CG-OE1 3.25Å; Q130-E140 WeakPolarHBondContact CG-OE1 3.37Å; A131-E140 HydrophobicContact CB-CG 4.19Å; A131-E140 PolarHBondContact N-OE1 2.81Å; K137-E140 HydrophobicContact CD-CG 4.24Å; K137-E140 WeakPolarHBondContact CD-OE1 3.42Å; K137-E140 WeakPolarHBondContact CD-OE2 3.44Å; K137-E140 VanDerWaalsContact NZ-CD 3.3Å; K137-E140 IonicContact NZ-OE1 3.94Å; K137-E140 PolarHBondContact NZ-OE1 3.06Å; K137-E140 IonicContact NZ-OE2 3.89Å; K137-E140 PolarHBondContact NZ-OE2 3Å; K137-E140 WeakPolarHBondContact O-CB 3.39Å; K137-E140 PolarHBondContact O-N 3.22Å; E140-K142 PolarHBondContact O-N 3Å |
| 141 | G | 95.8 | Very high | 94.8 | Very high | 32 Ų | 32 | 47.6 Ų | 47.6 | 33% | 0.33 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.3 | 0.2 | -173 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y128 K139 Y143 | Y128-G141 WeakPolarHBondContact O-CA 3.17Å; Y128-G141 PolarHBondContact O-N 3.37Å; K139-G141 PolarHBondContact O-N 3.24Å; G141-Y143 VanDerWaalsContact O-CE2 3.31Å; G141-Y143 WeakPolarHBondContact O-CE2 3.06Å |
| 142 | K | 97.3 | Very high | 94.6 | Very high | 46 Ų | 46 | 50.2 Ų | 50.2 | 20% | 0.2 | 26% | 0.256 | C | S | . | . | trans | -92.7 | 155.4 | -178.8 | -48.5 | -53.3 | 174.2 | -171.3 | 0 | 112.1 | I75 L88 N90 K127 Y128 Y138 K139 E140 | I75-K142 HydrophobicContact CD1-CD 3.72Å; I75-K142 HydrophobicContact CD1-CG 4.06Å; L88-K142 HydrophobicContact CD1-CB 3.73Å; L88-K142 HydrophobicContact CG-CB 4.38Å; N90-K142 PolarHBondContact OD1-NZ 3.04Å; K127-K142 WeakPolarHBondContact CA-O 3.25Å; Y128-K142 PolarHBondContact N-O 2.85Å; Y138-K142 WeakPolarHBondContact O-CG 3.36Å; K139-K142 WeakPolarHBondContact O-CB 3.49Å; K139-K142 VanDerWaalsContact O-CG 3.25Å; K139-K142 WeakPolarHBondContact O-CG 3.31Å; K139-K142 PolarHBondContact O-N 2.88Å; E140-K142 PolarHBondContact O-N 3Å | ||
| 143 | Y | 97.8 | Very high | 94.1 | Very high | 40 Ų | 40 | 46.7 Ų | 46.7 | 16% | 0.157 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 135.3 | -170.9 | -58.9 | -95.7 | 0 | 0 | 0 | 111.5 | L88 F89 V92 I115 K127 G141 | L88-Y143 CarbonylContact C-O 3.52Å; L88-Y143 WeakPolarHBondContact CA-O 3.3Å; F89-Y143 PolarHBondContact N-O 2.84Å; F89-Y143 PolarHBondContact O-N 2.78Å; V92-Y143 HydrophobicContact CB-CD1 4.09Å; V92-Y143 HydrophobicContact CB-CD2 4.15Å; V92-Y143 HydrophobicContact CB-CE1 4.45Å; V92-Y143 HydrophobicContact CB-CG 3.94Å; V92-Y143 HydrophobicContact CG2-CD1 4.06Å; V92-Y143 HydrophobicContact CG2-CD2 3.76Å; V92-Y143 HydrophobicContact CG2-CG 3.47Å; V92-Y143 VanDerWaalsContact CG2-CG 3.47Å; I115-Y143 HydrophobicContact CD1-CD1 4.34Å; I115-Y143 HydrophobicContact CG2-CD1 4.21Å; I115-Y143 HydrophobicContact CG2-CE1 4.43Å; K127-Y143 HydrophobicContact CB-CD1 3.77Å; K127-Y143 HydrophobicContact CB-CE1 3.9Å; K127-Y143 HydrophobicContact CD-CD1 4.29Å; K127-Y143 HydrophobicContact CD-CE1 3.6Å; K127-Y143 HydrophobicContact CG-CD1 3.9Å; K127-Y143 HydrophobicContact CG-CE1 3.72Å; K127-Y143 HydrophobicContact CG-CG 4.45Å; G141-Y143 VanDerWaalsContact O-CE2 3.31Å; G141-Y143 WeakPolarHBondContact O-CE2 3.06Å |
| 144 | I | 97.1 | Very high | 93.2 | Very high | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 126.1 | 168.4 | -65.2 | -68.2 | 0 | 0 | 0 | 108.1 | F79 A86 Y87 L88 G125 W126 Y128 | F79-I144 HydrophobicContact CB-CD1 3.97Å; F79-I144 HydrophobicContact CD1-CD1 3.49Å; F79-I144 VanDerWaalsContact CD1-CD1 3.49Å; F79-I144 HydrophobicContact CE1-CD1 4.09Å; F79-I144 HydrophobicContact CG-CD1 3.74Å; A86-I144 HydrophobicContact CB-CG2 3.64Å; Y87-I144 WeakPolarHBondContact O-CA 3.35Å; L88-I144 HydrophobicContact CB-CD1 3.99Å; L88-I144 HydrophobicContact CD1-CD1 3.57Å; L88-I144 HydrophobicContact CD1-CG1 4.19Å; L88-I144 HydrophobicContact CG-CD1 4.4Å; G125-I144 WeakPolarHBondContact CA-O 3.45Å; W126-I144 HydrophobicContact CD2-CB 4.45Å; W126-I144 HydrophobicContact CD2-CG2 4.42Å; W126-I144 HydrophobicContact CG-CB 4.42Å; W126-I144 HydrophobicContact CZ2-CG2 3.97Å; W126-I144 PolarHBondContact N-O 3.17Å; W126-I144 VanDerWaalsContact N-O 3.09Å; W126-I144 PolarHBondContact O-N 2.8Å; Y128-I144 HydrophobicContact CD2-CG1 4.43Å; Y128-I144 HydrophobicContact CE2-CD1 4.12Å; Y128-I144 HydrophobicContact CE2-CG1 3.66Å |
| 145 | I | 97.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 128.1 | 171.3 | -57 | 176.4 | 0 | 0 | 0 | 109.2 | L68 A86 Y87 F89 V92 I115 L124 M150 | L68-I145 HydrophobicContact CB-CD1 4.3Å; L68-I145 HydrophobicContact CD1-CD1 4.44Å; A86-I145 CarbonylContact C-O 3.55Å; A86-I145 VanDerWaalsContact CA-O 3.26Å; A86-I145 WeakPolarHBondContact CA-O 3.36Å; A86-I145 WeakPolarHBondContact CB-O 3.48Å; Y87-I145 PolarHBondContact N-O 2.91Å; Y87-I145 PolarHBondContact O-N 3.06Å; F89-I145 HydrophobicContact CD2-CB 4.37Å; F89-I145 HydrophobicContact CD2-CD1 3.94Å; F89-I145 HydrophobicContact CD2-CG1 4.13Å; F89-I145 HydrophobicContact CE2-CB 4.16Å; F89-I145 HydrophobicContact CE2-CD1 4.03Å; F89-I145 HydrophobicContact CE2-CG1 4.32Å; V92-I145 HydrophobicContact CG1-CD1 3.95Å; V92-I145 HydrophobicContact CG2-CD1 3.91Å; I115-I145 HydrophobicContact CD1-CG1 4Å; L124-I145 HydrophobicContact CB-CG2 4.35Å; L124-I145 WeakPolarHBondContact O-CA 3.29Å; I145-M150 HydrophobicContact CB-CE 4.45Å; I145-M150 HydrophobicContact CB-SD 4.02Å; I145-M150 HydrophobicContact CD1-SD 4.21Å; I145-M150 HydrophobicContact CG2-CB 3.63Å; I145-M150 HydrophobicContact CG2-CE 4.21Å; I145-M150 HydrophobicContact CG2-CG 4.12Å; I145-M150 HydrophobicContact CG2-SD 3.61Å |
| 146 | E | 96.8 | Very high | 90.9 | Very high | 6 Ų | 6 | 45.2 Ų | 45.2 | 3% | 0.028 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 139.1 | 176.1 | -60.5 | -165 | 118.4 | 0 | 0 | 111.6 | G81 S82 Q83 A86 L124 N148 H149 | G81-E146 VanDerWaalsContact CA-OE1 3.24Å; G81-E146 WeakPolarHBondContact CA-OE1 3.39Å; S82-E146 PolarHBondContact N-OE1 3.19Å; Q83-E146 VanDerWaalsContact CG-OE2 3.23Å; Q83-E146 WeakPolarHBondContact CG-OE2 3.29Å; Q83-E146 PolarHBondContact N-OE1 3.18Å; A86-E146 HydrophobicContact CB-CG 4.22Å; L124-E146 PolarHBondContact O-N 2.77Å; E146-N148 PolarHBondContact O-N 3.12Å; E146-N148 VanDerWaalsContact O-N 3.13Å; E146-H149 PolarHBondContact O-N 2.88Å; E146-H149 VanDerWaalsContact O-N 3.14Å; E146-H149 IonicContact OE2-CD2 2.68Å; E146-H149 IonicContact OE2-NE2 2.7Å |
| 147 | L | 94.1 | Very high | 89.1 | Confident | 42 Ų | 42 | 52.7 Ų | 52.7 | 22% | 0.22 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -15.5 | -176.9 | -90.8 | 63.3 | 0 | 0 | 0 | 113.7 | R85 Y87 H149 M150 | R85-L147 HydrophobicContact CB-CD2 4.22Å; R85-L147 PolarHBondContact O-N 2.54Å; Y87-L147 HydrophobicContact CD1-CD1 3.62Å; Y87-L147 HydrophobicContact CD2-CD1 3.93Å; Y87-L147 HydrophobicContact CE1-CD1 3.77Å; Y87-L147 HydrophobicContact CE1-CD2 4.07Å; Y87-L147 HydrophobicContact CE2-CD1 4.05Å; Y87-L147 HydrophobicContact CE2-CD2 4.43Å; Y87-L147 HydrophobicContact CG-CD1 3.72Å; L147-H149 VanDerWaalsContact C-N 3.31Å; L147-M150 HydrophobicContact CD1-CE 3.96Å; L147-M150 HydrophobicContact CG-CE 4.42Å |
| 148 | N | 94.8 | Very high | 88.8 | Confident | 90 Ų | 90 | 51.1 Ų | 51.1 | 48% | 0.481 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -27.1 | 176.6 | -61.3 | -4.9 | 0 | 0 | 0 | 112.2 | Q83 E146 | Q83-N148 WeakPolarHBondContact CB-ND2 3.39Å; Q83-N148 PolarHBondContact O-ND2 2.86Å; E146-N148 PolarHBondContact O-N 3.12Å; E146-N148 VanDerWaalsContact O-N 3.13Å |
| 149 | H | 93.9 | Very high | 88.6 | Confident | 22 Ų | 22 | 46.9 Ų | 46.9 | 10% | 0.102 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -103.2 | 0.1 | -177.4 | -56.3 | -53.4 | 0 | 0 | 0 | 113.1 | A62 H63 Q83 T123 L124 E146 L147 | A62-H149 PolarHBondContact N-O 3.4Å; H63-H149 AromaticContact NE2-ND1 3.88Å; Q83-H149 PolarHBondContact NE2-NE2 3.26Å; Q83-H149 VanDerWaalsContact NE2-NE2 3.18Å; Q83-H149 PolarHBondContact OE1-NE2 2.62Å; Q83-H149 VanDerWaalsContact OE1-NE2 3.14Å; T123-H149 PolarHBondContact O-CD2 2.79Å; L124-H149 HydrophobicContact CD2-CB 3.83Å; E146-H149 PolarHBondContact O-N 2.88Å; E146-H149 VanDerWaalsContact O-N 3.14Å; E146-H149 IonicContact OE2-CD2 2.68Å; E146-H149 IonicContact OE2-NE2 2.7Å; L147-H149 VanDerWaalsContact C-N 3.31Å |
| 150 | M | 94 | Very high | 88.3 | Confident | 11 Ų | 11 | 49.3 Ų | 49.3 | 5% | 0.054 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 130.8 | -170.9 | -179.9 | -178.5 | 66.6 | 0 | 0 | 111.8 | Y59 S60 L68 Y87 F89 I145 L147 | Y59-M150 HydrophobicContact CD1-CE 3.76Å; Y59-M150 HydrophobicContact CD1-CG 3.93Å; Y59-M150 HydrophobicContact CD1-SD 3.56Å; Y59-M150 VanDerWaalsContact CD1-SD 3.56Å; Y59-M150 HydrophobicContact CE1-CE 3.88Å; Y59-M150 HydrophobicContact CE1-SD 4.26Å; Y59-M150 HydrophobicContact CG-CE 4.47Å; Y59-M150 HydrophobicContact CG-CG 4.33Å; Y59-M150 HydrophobicContact CG-SD 3.78Å; S60-M150 WeakPolarHBondContact O-CA 3.22Å; L68-M150 HydrophobicContact CD1-CG 4.4Å; Y87-M150 HydrophobicContact CD2-CE 3.8Å; Y87-M150 HydrophobicContact CG-CE 4.35Å; F89-M150 HydrophobicContact CE2-CE 4.01Å; F89-M150 HydrophobicContact CE2-SD 3.8Å; F89-M150 HydrophobicContact CZ-CE 4.12Å; F89-M150 HydrophobicContact CZ-SD 3.86Å; I145-M150 HydrophobicContact CB-CE 4.45Å; I145-M150 HydrophobicContact CB-SD 4.02Å; I145-M150 HydrophobicContact CD1-SD 4.21Å; I145-M150 HydrophobicContact CG2-CB 3.63Å; I145-M150 HydrophobicContact CG2-CE 4.21Å; I145-M150 HydrophobicContact CG2-CG 4.12Å; I145-M150 HydrophobicContact CG2-SD 3.61Å; L147-M150 HydrophobicContact CD1-CE 3.96Å; L147-M150 HydrophobicContact CG-CE 4.42Å |
| 151 | I | 93.4 | Very high | 87.8 | Confident | 42 Ų | 42 | 48.6 Ų | 48.6 | 22% | 0.215 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 150.8 | 173.3 | 55.5 | 166.5 | 0 | 0 | 0 | 110.9 | Y59 S60 A62 R65 D153 | Y59-I151 VanDerWaalsContact CA-O 3.31Å; Y59-I151 WeakPolarHBondContact CA-O 3.4Å; S60-I151 PolarHBondContact N-O 3.35Å; S60-I151 VanDerWaalsContact O-CG1 3.26Å; S60-I151 WeakPolarHBondContact O-CG1 3.43Å; S60-I151 PolarHBondContact O-N 3.43Å; A62-I151 HydrophobicContact CB-CG2 4.17Å; R65-I151 VanDerWaalsContact NH1-CD1 3.26Å; I151-D153 WeakPolarHBondContact CD1-OD1 3.3Å |
| 152 | K | 91.2 | Very high | 87.3 | Confident | 56 Ų | 56 | 49.7 Ų | 49.7 | 24% | 0.243 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 121.5 | 156.6 | -65.5 | -177.8 | 174.4 | 179.2 | 0 | 107.8 | Y59 W156 D157 | Y59-K152 HydrophobicContact CD1-CG 4.16Å; Y59-K152 HydrophobicContact CE1-CG 3.83Å; K152-W156 HydrophobicContact CB-CZ2 4.16Å; K152-W156 HydrophobicContact CD-CD2 3.94Å; K152-W156 HydrophobicContact CD-CE3 4.08Å; K152-W156 HydrophobicContact CD-CH2 3.96Å; K152-W156 HydrophobicContact CD-CZ2 3.8Å; K152-W156 HydrophobicContact CD-CZ3 4.1Å; K152-W156 WeakPolarHBondContact CD-O 3.19Å; K152-W156 WeakPolarHBondContact CE-O 3.32Å; K152-W156 HydrophobicContact CG-CH2 4.15Å; K152-W156 HydrophobicContact CG-CZ2 3.67Å; K152-W156 PolarHBondContact NZ-O 3.08Å; K152-D157 VanDerWaalsContact NZ-C 3.34Å; K152-D157 VanDerWaalsContact NZ-CA 3.27Å; K152-D157 IonicContact NZ-OD1 3.34Å; K152-D157 PolarHBondContact NZ-OXT 3.15Å |
| 153 | D | 81.7 | Confident | 86.7 | Confident | 27 Ų | 27 | 49.9 Ų | 49.9 | 14% | 0.144 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -70.5 | 148.1 | 168.6 | -68.7 | -39 | 0 | 0 | 0 | 109.6 | R58 S60 H67 I151 G155 W156 | R58-D153 HydrophobicContact CG-CB 3.91Å; R58-D153 VanDerWaalsContact CG-OD2 3.3Å; R58-D153 WeakPolarHBondContact CG-OD2 3.19Å; R58-D153 PolarHBondContact O-N 2.91Å; R58-D153 VanDerWaalsContact O-N 3.12Å; S60-D153 VanDerWaalsContact CB-OD2 3.32Å; S60-D153 WeakPolarHBondContact CB-OD2 3.45Å; S60-D153 PolarHBondContact OG-OD2 3.04Å; H67-D153 IonicContact CE1-OD2 3.83Å; H67-D153 IonicContact ND1-OD2 3.4Å; I151-D153 WeakPolarHBondContact CD1-OD1 3.3Å; D153-G155 PolarHBondContact O-N 3.38Å; D153-W156 PolarHBondContact O-NE1 2.69Å |
| 154 | N | 74.4 | Confident | 85.9 | Confident | 135 Ų | 135 | 50.6 Ų | 50.6 | 72% | 0.722 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | 61.5 | 4.1 | -178.5 | -51.4 | -35.1 | 0 | 0 | 0 | 117.2 | W156 | N154-W156 VanDerWaalsContact C-N 3.28Å; N154-W156 PolarHBondContact O-N 2.98Å |
| 155 | G | 66.3 | Low | 85 | Confident | 58 Ų | 58 | 54.5 Ų | 54.5 | 60% | 0.598 | 30% | 0.302 | S | S | * | . | G | 310 helix | trans | 64.3 | 22.8 | 166.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | D153 | D153-G155 PolarHBondContact O-N 3.38Š|
| 156 | W | 71 | Confident | 84 | Confident | 37 Ų | 37 | 59 Ų | 59 | 14% | 0.14 | 33% | 0.327 | C | S | . | . | trans | -60.7 | 152.3 | 171.1 | 56.4 | -91.8 | 0 | 0 | 0 | 111.2 | R57 Y59 H71 K152 D153 N154 | R57-W156 HydrophobicContact CB-CD2 3.92Å; R57-W156 HydrophobicContact CB-CG 4.2Å; R57-W156 HydrophobicContact CB-CZ2 4.06Å; R57-W156 HydrophobicContact CG-CB 4.25Å; R57-W156 HydrophobicContact CG-CD2 3.7Å; R57-W156 HydrophobicContact CG-CE3 4.2Å; R57-W156 HydrophobicContact CG-CG 3.67Å; Y59-W156 HydrophobicContact CE1-CH2 4.14Å; Y59-W156 HydrophobicContact CE1-CZ2 4.05Å; Y59-W156 HydrophobicContact CE2-CH2 4.07Å; Y59-W156 HydrophobicContact CE2-CZ2 4.06Å; Y59-W156 AromaticContact CZ-CH2 3.62Å; Y59-W156 AromaticContact CZ-CZ2 3.82Å; Y59-W156 WeakPolarHBondContact OH-CH2 3.46Å; H71-W156 HydrophobicContact CB-CH2 4.2Å; H71-W156 HydrophobicContact CB-CZ2 4.33Å; H71-W156 AromaticContact CE1-CH2 3.79Å; H71-W156 AromaticContact CE1-CZ3 3.72Å; H71-W156 AromaticContact CG-CH2 3.78Å; H71-W156 AromaticContact ND1-CH2 3.19Å; H71-W156 WeakPolarHBondContact ND1-CH2 3.29Å; H71-W156 AromaticContact ND1-CZ3 3.58Å; K152-W156 HydrophobicContact CB-CZ2 4.16Å; K152-W156 HydrophobicContact CD-CD2 3.94Å; K152-W156 HydrophobicContact CD-CE3 4.08Å; K152-W156 HydrophobicContact CD-CH2 3.96Å; K152-W156 HydrophobicContact CD-CZ2 3.8Å; K152-W156 HydrophobicContact CD-CZ3 4.1Å; K152-W156 WeakPolarHBondContact CD-O 3.19Å; K152-W156 WeakPolarHBondContact CE-O 3.32Å; K152-W156 HydrophobicContact CG-CH2 4.15Å; K152-W156 HydrophobicContact CG-CZ2 3.67Å; K152-W156 PolarHBondContact NZ-O 3.08Å; D153-W156 PolarHBondContact O-NE1 2.69Å; N154-W156 VanDerWaalsContact C-N 3.28Å; N154-W156 PolarHBondContact O-N 2.98Å | ||
| 157 | D | 56.7 | Low | 82.9 | Confident | 182 Ų | 182 | 63.8 Ų | 63.8 | 97% | 0.973 | 35% | 0.354 | S | S | * | . | trans | -98.4 | 0 | -178.9 | -86.5 | -46.4 | 0 | 0 | 0 | 115.2 | K152 | K152-D157 VanDerWaalsContact NZ-C 3.34Å; K152-D157 VanDerWaalsContact NZ-CA 3.27Å; K152-D157 IonicContact NZ-OD1 3.34Å; K152-D157 PolarHBondContact NZ-OXT 3.15Å |
Retrieved 157 of 157 residues in 288 ms
(Link to these results)