| 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 | 35.6 | Very low | 37.6 | Very low | 250 Ų | 250 | 160.6 Ų | 160.6 | 100% | 1.232 | 87% | 0.865 | S | S | * | * | 0 | 140.9 | 0 | -122.7 | 85.6 | 98.4 | 0 | 0 | 108.8 | |||||
| 2 | N | 33.4 | Very low | 38.4 | Very low | 154 Ų | 154 | 165.8 Ų | 165.8 | 82% | 0.824 | 86% | 0.862 | S | S | * | * | trans | -70 | 168 | -163 | -78 | -40.4 | 0 | 0 | 0 | 118.4 | ||||
| 3 | R | 37.2 | Very low | 39 | Very low | 249 Ų | 249 | 169.7 Ų | 169.7 | 94% | 0.94 | 86% | 0.859 | S | S | * | * | trans | 98.5 | 136.1 | 149.2 | -55.1 | -170.9 | -173.5 | 160.9 | 1.4 | 115.3 | ||||
| 4 | G | 35 | Very low | 39.7 | Very low | 74 Ų | 74 | 165.6 Ų | 165.6 | 76% | 0.763 | 84% | 0.84 | S | S | * | * | cis | -173 | 158.2 | 7.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 5 | V | 42.8 | Very low | 40.6 | Very low | 138 Ų | 138 | 161.5 Ų | 161.5 | 84% | 0.836 | 83% | 0.829 | S | S | * | * | trans | -73.2 | 143.6 | 176.2 | 169.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 6 | S | 37.9 | Very low | 41.3 | Very low | 116 Ų | 116 | 160.4 Ų | 160.4 | 81% | 0.811 | 82% | 0.82 | S | S | * | * | trans | -150.5 | 118 | 158.6 | -48.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 7 | Q | 40.7 | Very low | 42 | Very low | 176 Ų | 176 | 158.5 Ų | 158.5 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | trans | -68.1 | 168.4 | 170.9 | -68.8 | 171.4 | -69.9 | 0 | 0 | 111.1 | ||||
| 8 | P | 38.8 | Very low | 42.6 | Very low | 117 Ų | 117 | 156 Ų | 156 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | -139.7 | 141.1 | 110.6 | 21.8 | -1 | 0 | 0 | 0 | 116 | |||||
| 9 | E | 37.7 | Very low | 43.2 | Very low | 186 Ų | 186 | 151.3 Ų | 151.3 | 87% | 0.869 | 78% | 0.781 | S | S | * | * | trans | 68.4 | 106.6 | 133.6 | -54.8 | -157.5 | 119.7 | 0 | 0 | 121.7 | F11 | E9-F11 PolarHBondContact O-N 3.23Š| ||
| 10 | S | 36.2 | Very low | 43.6 | Very low | 118 Ų | 118 | 150.5 Ų | 150.5 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | trans | -61.7 | 112.5 | 166.3 | 177.4 | 0 | 0 | 0 | 0 | 111.9 | R12 | S10-R12 PolarHBondContact O-N 3.41Š| ||
| 11 | F | 38.6 | Very low | 44.1 | Very low | 189 Ų | 189 | 148.4 Ų | 148.4 | 83% | 0.829 | 76% | 0.763 | S | S | * | * | trans | -87.4 | 98.7 | 164.9 | -162.9 | -101.3 | 0 | 0 | 0 | 109 | E9 R13 | E9-F11 PolarHBondContact O-N 3.23Å; F11-R13 PolarHBondContact O-N 3.09Å; F11-R13 VanDerWaalsContact O-N 3.09Å | ||
| 12 | R | 46.7 | Very low | 44.9 | Very low | 222 Ų | 222 | 141.8 Ų | 141.8 | 84% | 0.838 | 73% | 0.732 | S | S | * | * | trans | -56.6 | 107.2 | 174.7 | -173.2 | -178 | -88.6 | 170.2 | -7.7 | 108.9 | S10 D14 | S10-R12 PolarHBondContact O-N 3.41Å; R12-D14 PolarHBondContact O-N 3.41Å | ||
| 13 | R | 46.2 | Very low | 45.6 | Very low | 217 Ų | 217 | 141 Ų | 141 | 82% | 0.819 | 72% | 0.724 | S | S | * | * | trans | -86.4 | 103.3 | -177.5 | -152.4 | 180 | -77.2 | 175.8 | -4.7 | 108.8 | F11 P15 | F11-R13 PolarHBondContact O-N 3.09Å; F11-R13 VanDerWaalsContact O-N 3.09Å; R13-P15 WeakPolarHBondContact O-CD 3.44Å | ||
| 14 | D | 49.2 | Very low | 46.3 | Very low | 112 Ų | 112 | 137 Ų | 137 | 60% | 0.599 | 72% | 0.717 | S | S | * | * | trans | -66.6 | 118.8 | 179.2 | -109.7 | -48.8 | 0 | 0 | 0 | 111.3 | R12 Q16 | R12-D14 PolarHBondContact O-N 3.41Å; D14-Q16 PolarHBondContact O-N 3.43Å | ||
| 15 | P | 53.3 | Low | 47 | Very low | 104 Ų | 104 | 139.4 Ų | 139.4 | 68% | 0.675 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -73.3 | -9.1 | -174.1 | 27 | -32.4 | 0 | 0 | 0 | 114.3 | R13 | R13-P15 WeakPolarHBondContact O-CD 3.44Å |
| 16 | Q | 52.5 | Low | 47.3 | Very low | 145 Ų | 145 | 141.2 Ų | 141.2 | 68% | 0.678 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -79.3 | -25.7 | -179.1 | -69.1 | -84.9 | -15.3 | 0 | 0 | 112.9 | D14 | D14-Q16 PolarHBondContact O-N 3.43Å |
| 17 | L | 51.6 | Low | 47.5 | Very low | 127 Ų | 127 | 141 Ų | 141 | 67% | 0.665 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -79.8 | -29.5 | -178.3 | -150 | 86.1 | 0 | 0 | 0 | 112.6 | L21 | L17-L21 PolarHBondContact O-N 3.48Å |
| 18 | L | 53.5 | Low | 47.7 | Very low | 114 Ų | 114 | 137 Ų | 137 | 60% | 0.597 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -72.7 | -32 | -179.2 | -127.6 | 91.7 | 0 | 0 | 0 | 112.5 | L22 | L18-L22 PolarHBondContact O-N 3.35Å |
| 19 | S | 54.5 | Low | 48.4 | Very low | 66 Ų | 66 | 137.5 Ų | 137.5 | 46% | 0.462 | 70% | 0.703 | S | S | . | * | H | α-helix | trans | -70.5 | -37.4 | 179.4 | -170.4 | 0 | 0 | 0 | 0 | 111.9 | H23 | S19-H23 PolarHBondContact O-N 2.83Å; S19-H23 PolarHBondContact O-ND1 3.24Å |
| 20 | H | 51.3 | Low | 49.1 | Very low | 135 Ų | 135 | 132.9 Ų | 132.9 | 63% | 0.625 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -72.4 | -32.9 | 176.7 | -87.2 | -67 | 0 | 0 | 0 | 113.2 | M24 | H20-M24 WeakPolarHBondContact O-CG 3.35Å |
| 21 | L | 53.6 | Low | 50.1 | Low | 107 Ų | 107 | 134 Ų | 134 | 56% | 0.56 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -70.4 | -33.2 | 174.8 | -104.2 | 118.4 | 0 | 0 | 0 | 113.1 | L17 | L17-L21 PolarHBondContact O-N 3.48Å |
| 22 | L | 51.5 | Low | 51 | Low | 112 Ų | 112 | 130 Ų | 130 | 59% | 0.586 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -68.1 | -33.6 | 177 | -113.1 | 85.3 | 0 | 0 | 0 | 113 | L18 | L18-L22 PolarHBondContact O-N 3.35Å |
| 23 | H | 49 | Very low | 51.7 | Low | 138 Ų | 138 | 122.5 Ų | 122.5 | 64% | 0.639 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -77.4 | -19.2 | -179.5 | -74 | 94.6 | 0 | 0 | 0 | 113.9 | S19 | S19-H23 PolarHBondContact O-N 2.83Å; S19-H23 PolarHBondContact O-ND1 3.24Å |
| 24 | M | 52.4 | Low | 52.4 | Low | 164 Ų | 164 | 117.4 Ų | 117.4 | 81% | 0.808 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -89.3 | -10 | -179.8 | -63.8 | -68.7 | -98 | 0 | 0 | 113.4 | H20 | H20-M24 WeakPolarHBondContact O-CG 3.35Å |
| 25 | L | 48.7 | Very low | 53.4 | Low | 125 Ų | 125 | 114.3 Ų | 114.3 | 65% | 0.654 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -94.9 | -7.8 | 179.2 | -77.3 | 159.9 | 0 | 0 | 0 | 113.9 | ||
| 26 | F | 48.6 | Very low | 54.2 | Low | 175 Ų | 175 | 114.7 Ų | 114.7 | 77% | 0.768 | 63% | 0.629 | S | S | * | * | trans | -127.8 | 73.2 | 179 | -71.5 | -84.4 | 0 | 0 | 0 | 111.8 | ||||
| 27 | P | 42.4 | Very low | 55.2 | Low | 113 Ų | 113 | 112.2 Ų | 112.2 | 73% | 0.734 | 62% | 0.62 | S | S | * | * | trans | -75.9 | 133 | 163 | 32.6 | -27.8 | 0 | 0 | 0 | 108.5 | ||||
| 28 | A | 46 | Very low | 56.3 | Low | 91 Ų | 91 | 111.5 Ų | 111.5 | 75% | 0.752 | 62% | 0.616 | S | S | * | * | trans | 76.8 | 97.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 116 | P30 | A28-P30 VanDerWaalsContact O-CD 3.27Å; A28-P30 WeakPolarHBondContact O-CD 3.27Å | ||
| 29 | T | 54.1 | Low | 57.3 | Low | 127 Ų | 127 | 110.9 Ų | 110.9 | 78% | 0.779 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 117.2 | 147 | 48.3 | 0 | 0 | 0 | 0 | 108 | H31 | T29-H31 PolarHBondContact O-N 2.86Š|
| 30 | P | 51.3 | Low | 58.2 | Low | 90 Ų | 90 | 111.3 Ų | 111.3 | 58% | 0.584 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 131.9 | 170.5 | 23.8 | -29.9 | 0 | 0 | 0 | 107.8 | A28 | A28-P30 VanDerWaalsContact O-CD 3.27Å; A28-P30 WeakPolarHBondContact O-CD 3.27Å |
| 31 | H | 56.4 | Low | 59.2 | Low | 142 Ų | 142 | 108.8 Ų | 108.8 | 66% | 0.657 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 142 | 173.4 | -75.7 | 55.2 | 0 | 0 | 0 | 108.6 | T29 A33 M34 S35 | T29-H31 PolarHBondContact O-N 2.86Å; H31-A33 PolarHBondContact O-N 3.07Å; H31-M34 PolarHBondContact O-N 2.96Å; H31-S35 PolarHBondContact O-N 2.99Å; H31-S35 VanDerWaalsContact O-N 3.07Å |
| 32 | P | 58.7 | Low | 59.9 | Low | 104 Ų | 104 | 108 Ų | 108 | 68% | 0.675 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -54.7 | -32 | -174.8 | 21 | -32.5 | 0 | 0 | 0 | 111.9 | L36 | P32-L36 WeakPolarHBondContact O-CB 3.4Å; P32-L36 WeakPolarHBondContact O-CD1 3.48Å; P32-L36 PolarHBondContact O-N 3.3Å |
| 33 | A | 60.6 | Low | 60.6 | Low | 64 Ų | 64 | 106 Ų | 106 | 53% | 0.529 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -65.1 | -42.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114 | H31 L37 | H31-A33 PolarHBondContact O-N 3.07Å; A33-L37 WeakPolarHBondContact O-CB 3.4Å; A33-L37 WeakPolarHBondContact O-CD1 3.44Å; A33-L37 VanDerWaalsContact O-CG 3.24Å; A33-L37 WeakPolarHBondContact O-CG 3.49Å; A33-L37 PolarHBondContact O-N 2.96Å |
| 34 | M | 61.5 | Low | 61.2 | Low | 110 Ų | 110 | 102.6 Ų | 102.6 | 54% | 0.542 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -72.1 | -33.7 | 178.3 | -81.5 | -84.9 | 89 | 0 | 0 | 112.1 | H31 L37 L38 | H31-M34 PolarHBondContact O-N 2.96Å; M34-L37 HydrophobicContact CE-CB 4.17Å; M34-L37 HydrophobicContact CE-CD1 3.33Å; M34-L37 HydrophobicContact CE-CG 4.39Å; M34-L37 PolarHBondContact O-N 3.27Å; M34-L38 WeakPolarHBondContact O-CB 3.31Å; M34-L38 PolarHBondContact O-N 2.98Å |
| 35 | S | 70.4 | Confident | 61.4 | Low | 47 Ų | 47 | 99.9 Ų | 99.9 | 33% | 0.329 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -69.3 | -41.8 | 173.9 | -177.5 | 0 | 0 | 0 | 0 | 111.9 | H31 L38 L39 | H31-S35 PolarHBondContact O-N 2.99Å; H31-S35 VanDerWaalsContact O-N 3.07Å; S35-L38 PolarHBondContact O-N 2.94Å; S35-L39 WeakPolarHBondContact O-CB 3.4Å; S35-L39 VanDerWaalsContact O-CG 3.26Å; S35-L39 WeakPolarHBondContact O-CG 3.12Å; S35-L39 PolarHBondContact O-N 3.45Å |
| 36 | L | 70.8 | Confident | 61.6 | Low | 113 Ų | 113 | 100.1 Ų | 100.1 | 59% | 0.592 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -62.2 | -42.9 | 172.1 | -98.1 | 93.2 | 0 | 0 | 0 | 111.8 | P32 L39 T40 | P32-L36 WeakPolarHBondContact O-CB 3.4Å; P32-L36 WeakPolarHBondContact O-CD1 3.48Å; P32-L36 PolarHBondContact O-N 3.3Å; L36-L39 PolarHBondContact O-N 3.4Å; L36-T40 VanDerWaalsContact O-CG2 3.31Å; L36-T40 WeakPolarHBondContact O-CG2 3.24Å; L36-T40 PolarHBondContact O-N 3.49Å; L36-T40 PolarHBondContact O-OG1 2.92Å |
| 37 | L | 73.1 | Confident | 61.8 | Low | 92 Ų | 92 | 98.3 Ų | 98.3 | 48% | 0.482 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -62.3 | -44.6 | 177.6 | -76.2 | 163.3 | 0 | 0 | 0 | 111.2 | A33 M34 L39 T40 V41 | A33-L37 WeakPolarHBondContact O-CB 3.4Å; A33-L37 WeakPolarHBondContact O-CD1 3.44Å; A33-L37 VanDerWaalsContact O-CG 3.24Å; A33-L37 WeakPolarHBondContact O-CG 3.49Å; A33-L37 PolarHBondContact O-N 2.96Å; M34-L37 HydrophobicContact CE-CB 4.17Å; M34-L37 HydrophobicContact CE-CD1 3.33Å; M34-L37 HydrophobicContact CE-CG 4.39Å; M34-L37 PolarHBondContact O-N 3.27Å; L37-L39 VanDerWaalsContact C-N 3.35Å; L37-L39 PolarHBondContact O-N 2.83Å; L37-T40 WeakPolarHBondContact CA-OG1 3.42Å; L37-T40 PolarHBondContact O-N 2.83Å; L37-T40 PolarHBondContact O-OG1 3.5Å; L37-V41 WeakPolarHBondContact O-CB 3.34Å; L37-V41 VanDerWaalsContact O-CG2 3.27Å; L37-V41 WeakPolarHBondContact O-CG2 3.29Å; L37-V41 PolarHBondContact O-N 3.28Å |
| 38 | L | 74.1 | Confident | 62.1 | Low | 113 Ų | 113 | 99.5 Ų | 99.5 | 59% | 0.592 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -60.6 | -44.1 | 175 | -128.5 | 94.1 | 0 | 0 | 0 | 111.9 | M34 S35 V41 L42 | M34-L38 WeakPolarHBondContact O-CB 3.31Å; M34-L38 PolarHBondContact O-N 2.98Å; S35-L38 PolarHBondContact O-N 2.94Å; L38-V41 PolarHBondContact O-N 2.65Å; L38-L42 HydrophobicContact CD2-CD1 4.15Å; L38-L42 HydrophobicContact CG-CD1 4.49Å; L38-L42 VanDerWaalsContact O-CB 3.27Å; L38-L42 WeakPolarHBondContact O-CB 3.26Å; L38-L42 WeakPolarHBondContact O-CD1 3.49Å; L38-L42 VanDerWaalsContact O-CG 3.26Å; L38-L42 WeakPolarHBondContact O-CG 3.27Å; L38-L42 PolarHBondContact O-N 3.27Å |
| 39 | L | 73.8 | Confident | 61.9 | Low | 101 Ų | 101 | 99.4 Ų | 99.4 | 53% | 0.529 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.8 | -43.2 | 176.8 | -73.4 | 166.3 | 0 | 0 | 0 | 111.3 | S35 L36 L37 V41 L42 S43 | S35-L39 WeakPolarHBondContact O-CB 3.4Å; S35-L39 VanDerWaalsContact O-CG 3.26Å; S35-L39 WeakPolarHBondContact O-CG 3.12Å; S35-L39 PolarHBondContact O-N 3.45Å; L36-L39 PolarHBondContact O-N 3.4Å; L37-L39 VanDerWaalsContact C-N 3.35Å; L37-L39 PolarHBondContact O-N 2.83Å; L39-V41 PolarHBondContact O-N 2.89Å; L39-L42 PolarHBondContact O-N 2.92Å; L39-S43 VanDerWaalsContact O-CB 3.28Å; L39-S43 WeakPolarHBondContact O-CB 3.26Å; L39-S43 PolarHBondContact O-N 2.77Å; L39-S43 PolarHBondContact O-OG 3.25Å |
| 40 | T | 73.4 | Confident | 61.7 | Low | 74 Ų | 74 | 97.5 Ų | 97.5 | 45% | 0.454 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.1 | -39.4 | 176.7 | 57.5 | 0 | 0 | 0 | 0 | 112.4 | L36 L37 S44 | L36-T40 VanDerWaalsContact O-CG2 3.31Å; L36-T40 WeakPolarHBondContact O-CG2 3.24Å; L36-T40 PolarHBondContact O-N 3.49Å; L36-T40 PolarHBondContact O-OG1 2.92Å; L37-T40 WeakPolarHBondContact CA-OG1 3.42Å; L37-T40 PolarHBondContact O-N 2.83Å; L37-T40 PolarHBondContact O-OG1 3.5Å; T40-S44 WeakPolarHBondContact O-CB 3.27Å; T40-S44 PolarHBondContact O-N 3.41Å; T40-S44 PolarHBondContact O-OG 3.37Å |
| 41 | V | 72.6 | Confident | 61.3 | Low | 83 Ų | 83 | 99.8 Ų | 99.8 | 50% | 0.503 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -68.1 | -44.3 | 176.5 | 172.5 | 0 | 0 | 0 | 0 | 110.5 | L37 L38 L39 S44 L45 | L37-V41 WeakPolarHBondContact O-CB 3.34Å; L37-V41 VanDerWaalsContact O-CG2 3.27Å; L37-V41 WeakPolarHBondContact O-CG2 3.29Å; L37-V41 PolarHBondContact O-N 3.28Å; L38-V41 PolarHBondContact O-N 2.65Å; L39-V41 PolarHBondContact O-N 2.89Å; V41-S44 WeakPolarHBondContact O-CB 3.28Å; V41-S44 PolarHBondContact O-N 2.98Å; V41-L45 HydrophobicContact CG1-CD1 4.02Å; V41-L45 VanDerWaalsContact O-CD1 3.26Å; V41-L45 WeakPolarHBondContact O-CD1 3.26Å; V41-L45 PolarHBondContact O-N 2.78Å |
| 42 | L | 68.1 | Low | 60.8 | Low | 91 Ų | 91 | 95.9 Ų | 95.9 | 48% | 0.476 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64 | -42.3 | 175.7 | -76.3 | 161.6 | 0 | 0 | 0 | 111.9 | L38 L39 S44 L45 M46 | L38-L42 HydrophobicContact CD2-CD1 4.15Å; L38-L42 HydrophobicContact CG-CD1 4.49Å; L38-L42 VanDerWaalsContact O-CB 3.27Å; L38-L42 WeakPolarHBondContact O-CB 3.26Å; L38-L42 WeakPolarHBondContact O-CD1 3.49Å; L38-L42 VanDerWaalsContact O-CG 3.26Å; L38-L42 WeakPolarHBondContact O-CG 3.27Å; L38-L42 PolarHBondContact O-N 3.27Å; L39-L42 PolarHBondContact O-N 2.92Å; L42-S44 VanDerWaalsContact C-N 3.32Å; L42-S44 PolarHBondContact O-N 3.45Å; L42-L45 PolarHBondContact O-N 2.64Å; L42-M46 VanDerWaalsContact O-CG 3.29Å; L42-M46 WeakPolarHBondContact O-CG 3.37Å; L42-M46 PolarHBondContact O-N 3.06Å |
| 43 | S | 67.3 | Low | 60.3 | Low | 69 Ų | 69 | 99.8 Ų | 99.8 | 48% | 0.483 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.4 | -38.2 | 173.4 | -66 | 0 | 0 | 0 | 0 | 111.7 | L39 L45 M46 L47 | L39-S43 VanDerWaalsContact O-CB 3.28Å; L39-S43 WeakPolarHBondContact O-CB 3.26Å; L39-S43 PolarHBondContact O-N 2.77Å; L39-S43 PolarHBondContact O-OG 3.25Å; S43-L45 VanDerWaalsContact C-N 3.35Å; S43-M46 PolarHBondContact O-N 3.28Å; S43-L47 WeakPolarHBondContact O-CB 3.49Å; S43-L47 WeakPolarHBondContact O-CD1 3.2Å; S43-L47 PolarHBondContact O-N 2.91Å |
| 44 | S | 60.9 | Low | 59.6 | Low | 66 Ų | 66 | 100.4 Ų | 100.4 | 46% | 0.462 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -67.3 | -34.5 | 175.7 | -55.4 | 0 | 0 | 0 | 0 | 112.4 | T40 V41 L42 H48 | T40-S44 WeakPolarHBondContact O-CB 3.27Å; T40-S44 PolarHBondContact O-N 3.41Å; T40-S44 PolarHBondContact O-OG 3.37Å; V41-S44 WeakPolarHBondContact O-CB 3.28Å; V41-S44 PolarHBondContact O-N 2.98Å; L42-S44 VanDerWaalsContact C-N 3.32Å; L42-S44 PolarHBondContact O-N 3.45Å; S44-H48 PolarHBondContact O-ND1 3.41Å |
| 45 | L | 56.2 | Low | 58.7 | Low | 108 Ų | 108 | 100.4 Ų | 100.4 | 57% | 0.565 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -71.4 | -38.2 | 173.1 | -97.3 | 80 | 0 | 0 | 0 | 112.1 | V41 L42 S43 L47 H48 | V41-L45 HydrophobicContact CG1-CD1 4.02Å; V41-L45 VanDerWaalsContact O-CD1 3.26Å; V41-L45 WeakPolarHBondContact O-CD1 3.26Å; V41-L45 PolarHBondContact O-N 2.78Å; L42-L45 PolarHBondContact O-N 2.64Å; S43-L45 VanDerWaalsContact C-N 3.35Å; L45-L47 VanDerWaalsContact C-N 3.27Å; L45-L47 PolarHBondContact O-N 3.17Å; L45-H48 PolarHBondContact O-N 3.43Å |
| 46 | M | 54.2 | Low | 57.8 | Low | 130 Ų | 130 | 99.8 Ų | 99.8 | 64% | 0.64 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -74.7 | -14 | 176.8 | -66.8 | -70.8 | 102.3 | 0 | 0 | 113.5 | L42 S43 H48 | L42-M46 VanDerWaalsContact O-CG 3.29Å; L42-M46 WeakPolarHBondContact O-CG 3.37Å; L42-M46 PolarHBondContact O-N 3.06Å; S43-M46 PolarHBondContact O-N 3.28Å; M46-H48 VanDerWaalsContact C-N 3.26Å |
| 47 | L | 52 | Low | 57 | Low | 136 Ų | 136 | 96.1 Ų | 96.1 | 71% | 0.712 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -3.7 | 171.8 | -101.1 | 139.9 | 0 | 0 | 0 | 113.5 | S43 L45 | S43-L47 WeakPolarHBondContact O-CB 3.49Å; S43-L47 WeakPolarHBondContact O-CD1 3.2Å; S43-L47 PolarHBondContact O-N 2.91Å; L45-L47 VanDerWaalsContact C-N 3.27Å; L45-L47 PolarHBondContact O-N 3.17Å |
| 48 | H | 48.3 | Very low | 56.2 | Low | 138 Ų | 138 | 99.9 Ų | 99.9 | 64% | 0.639 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.8 | -0.7 | 176.4 | -74.6 | 87.9 | 0 | 0 | 0 | 114.3 | S44 L45 M46 V50 R66 | S44-H48 PolarHBondContact O-ND1 3.41Å; L45-H48 PolarHBondContact O-N 3.43Å; M46-H48 VanDerWaalsContact C-N 3.26Å; H48-V50 PolarHBondContact O-N 3.12Å; H48-R66 PolarHBondContact O-NH1 2.92Å |
| 49 | D | 42.2 | Very low | 55.7 | Low | 89 Ų | 89 | 96.8 Ų | 96.8 | 48% | 0.476 | 54% | 0.536 | S | S | . | . | trans | -87.1 | 75.9 | 159.9 | -68.5 | -34.2 | 0 | 0 | 0 | 107 | E51 R66 | D49-E51 PolarHBondContact O-N 3.48Å; D49-R66 IonicContact OD1-CZ 3.25Å; D49-R66 IonicContact OD1-NH1 2.73Å; D49-R66 PolarHBondContact OD1-NH1 3.24Å; D49-R66 VanDerWaalsContact OD1-NH1 3.16Å; D49-R66 IonicContact OD1-NH2 2.84Å; D49-R66 PolarHBondContact OD1-NH2 3.08Å | ||
| 50 | V | 50.1 | Low | 55.2 | Low | 88 Ų | 88 | 97.1 Ų | 97.1 | 53% | 0.533 | 55% | 0.554 | S | S | . | * | trans | -62.5 | 90.5 | 152.6 | -175.9 | 0 | 0 | 0 | 0 | 104 | H48 A52 | H48-V50 PolarHBondContact O-N 3.12Å; V50-A52 PolarHBondContact O-N 2.86Å | ||
| 51 | E | 42.8 | Very low | 55.2 | Low | 137 Ų | 137 | 95 Ų | 95 | 64% | 0.64 | 54% | 0.541 | S | S | * | . | trans | -40.1 | 124.3 | 169.3 | -177.4 | 166 | -158.9 | 0 | 0 | 107.5 | D49 W53 | D49-E51 PolarHBondContact O-N 3.48Å; E51-W53 PolarHBondContact O-N 3.31Å; E51-W53 PolarHBondContact OE2-NE1 3.44Å | ||
| 52 | A | 45.1 | Very low | 55.5 | Low | 61 Ų | 61 | 99 Ų | 99 | 50% | 0.504 | 56% | 0.56 | S | S | . | * | trans | -59 | 94.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 106.5 | V50 S54 | V50-A52 PolarHBondContact O-N 2.86Å; A52-S54 PolarHBondContact O-N 3.01Å | ||
| 53 | W | 48.9 | Very low | 56.1 | Low | 185 Ų | 185 | 96.9 Ų | 96.9 | 70% | 0.701 | 55% | 0.552 | S | S | * | * | trans | -77.5 | 71.4 | -174.8 | -73.2 | -25.2 | 0 | 0 | 0 | 109 | E51 A55 | E51-W53 PolarHBondContact O-N 3.31Å; E51-W53 PolarHBondContact OE2-NE1 3.44Å; W53-A55 VanDerWaalsContact C-N 3.33Å | ||
| 54 | S | 45.4 | Very low | 56.8 | Low | 78 Ų | 78 | 97.1 Ų | 97.1 | 55% | 0.545 | 55% | 0.551 | S | S | . | * | trans | -92.4 | 8.9 | 174.9 | 62.8 | 0 | 0 | 0 | 0 | 112.7 | A52 G56 V57 | A52-S54 PolarHBondContact O-N 3.01Å; S54-G56 PolarHBondContact O-N 2.03Å; S54-V57 PolarHBondContact O-N 3.35Å; S54-V57 VanDerWaalsContact O-N 3.16Å | ||
| 55 | A | 43.1 | Very low | 57.9 | Low | 110 Ų | 110 | 101.6 Ų | 101.6 | 91% | 0.909 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | 11.4 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | W53 | W53-A55 VanDerWaalsContact C-N 3.33Š|
| 56 | G | 52.1 | Low | 59.2 | Low | 33 Ų | 33 | 103.9 Ų | 103.9 | 34% | 0.34 | 57% | 0.571 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -154.8 | 18 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | S54 K58 R147 | S54-G56 PolarHBondContact O-N 2.03Å; G56-K58 PolarHBondContact O-N 3Å; G56-R147 PolarHBondContact O-NH1 2.88Å; G56-R147 VanDerWaalsContact O-NH1 3.1Å; G56-R147 PolarHBondContact O-NH2 3.05Å |
| 57 | V | 53.8 | Low | 60.7 | Low | 37 Ų | 37 | 100.5 Ų | 100.5 | 22% | 0.224 | 56% | 0.56 | C | S | . | * | trans | -74.7 | 119 | 177.8 | -164.3 | 0 | 0 | 0 | 0 | 109.3 | S54 Y59 V61 | S54-V57 PolarHBondContact O-N 3.35Å; S54-V57 VanDerWaalsContact O-N 3.16Å; V57-Y59 HydrophobicContact CG1-CD2 3.77Å; V57-Y59 HydrophobicContact CG1-CE2 3.76Å; V57-Y59 HydrophobicContact CG1-CG 4.28Å; V57-Y59 WeakPolarHBondContact CG1-O 3.49Å; V57-Y59 PolarHBondContact O-N 3.31Å; V57-V61 HydrophobicContact CG1-CG1 4.32Å; V57-V61 HydrophobicContact CG1-CG2 3.9Å; V57-V61 HydrophobicContact CG2-CG2 4.48Å | ||
| 58 | K | 56.4 | Low | 62.4 | Low | 171 Ų | 171 | 96.5 Ų | 96.5 | 74% | 0.743 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -77.9 | -3.5 | -177.3 | -73.1 | -179.8 | 176.1 | 166.1 | 0 | 113.6 | G56 | G56-K58 PolarHBondContact O-N 3Š|
| 59 | Y | 63.6 | Low | 64.2 | Low | 47 Ų | 47 | 94.5 Ų | 94.5 | 18% | 0.184 | 54% | 0.541 | C | S | . | . | S | Bend | trans | -146.5 | 156.6 | -171.1 | 38 | -94.4 | 0 | 0 | 0 | 110.7 | V57 V61 D85 R102 T103 K111 | V57-Y59 HydrophobicContact CG1-CD2 3.77Å; V57-Y59 HydrophobicContact CG1-CE2 3.76Å; V57-Y59 HydrophobicContact CG1-CG 4.28Å; V57-Y59 WeakPolarHBondContact CG1-O 3.49Å; V57-Y59 PolarHBondContact O-N 3.31Å; Y59-V61 HydrophobicContact CD2-CG1 3.59Å; Y59-V61 HydrophobicContact CE2-CG1 3.76Å; Y59-V61 PolarHBondContact O-N 3.27Å; Y59-D85 HydrophobicContact CE2-CB 4.49Å; Y59-D85 VanDerWaalsContact CE2-OD1 3.32Å; Y59-D85 WeakPolarHBondContact CE2-OD1 3.2Å; Y59-D85 PolarHBondContact OH-OD1 3.43Å; Y59-R102 HydrophobicContact CD1-CG 4.13Å; Y59-R102 HydrophobicContact CE1-CG 4.31Å; Y59-R102 WeakPolarHBondContact CE1-O 3.44Å; Y59-R102 WeakPolarHBondContact CE2-O 2.97Å; Y59-R102 PolarHBondContact OH-O 3.06Å; Y59-T103 HydrophobicContact CD2-CG2 3.32Å; Y59-T103 HydrophobicContact CE2-CG2 3.56Å; Y59-T103 HydrophobicContact CG-CG2 4.14Å; Y59-K111 PolarHBondContact OH-NZ 3.06Å |
| 60 | A | 62.8 | Low | 66.4 | Low | 108 Ų | 108 | 97.7 Ų | 97.7 | 89% | 0.893 | 56% | 0.558 | S | S | * | * | trans | -74.3 | 112.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 61 | V | 73.1 | Confident | 68 | Low | 31 Ų | 31 | 103.4 Ų | 103.4 | 19% | 0.188 | 57% | 0.569 | C | S | . | * | trans | -117.9 | 138.8 | 171.1 | -64.7 | 0 | 0 | 0 | 0 | 109 | V57 Y59 C63 D85 T103 | V57-V61 HydrophobicContact CG1-CG1 4.32Å; V57-V61 HydrophobicContact CG1-CG2 3.9Å; V57-V61 HydrophobicContact CG2-CG2 4.48Å; Y59-V61 HydrophobicContact CD2-CG1 3.59Å; Y59-V61 HydrophobicContact CE2-CG1 3.76Å; Y59-V61 PolarHBondContact O-N 3.27Å; V61-C63 VanDerWaalsContact CG2-SG 3.51Å; V61-C63 PolarHBondContact O-N 3.22Å; V61-D85 HydrophobicContact CB-CB 4.42Å; V61-D85 HydrophobicContact CG1-CB 3.92Å; V61-D85 HydrophobicContact CG2-CB 4.31Å; V61-T103 HydrophobicContact CG1-CG2 3.99Å | ||
| 62 | N | 78.6 | Confident | 70 | Confident | 167 Ų | 167 | 98.4 Ų | 98.4 | 89% | 0.893 | 55% | 0.549 | S | S | * | . | trans | -88.9 | 90.1 | 174.9 | -75.7 | -37.7 | 0 | 0 | 0 | 109.2 | ||||
| 63 | C | 80.8 | Confident | 71.8 | Confident | 46 Ų | 46 | 98.3 Ų | 98.3 | 31% | 0.311 | 55% | 0.554 | S | S | . | * | trans | -89.3 | 144.6 | 176 | -64.5 | 0 | 0 | 0 | 0 | 111.6 | V61 C86 | V61-C63 VanDerWaalsContact CG2-SG 3.51Å; V61-C63 PolarHBondContact O-N 3.22Å; C63-C86 WeakPolarHBondContact CA-SG 3.49Å; C63-C86 HydrophobicContact CB-CB 3.72Å; C63-C86 WeakPolarHBondContact CB-SG 3.45Å; C63-C86 WeakPolarHBondContact SG-CA 2.98Å; C63-C86 WeakPolarHBondContact SG-CB 3.14Å; C63-C86 CovalentContact SG-SG 2.04Å; C63-C86 PolarHBondContact SG-SG 3.39Å | ||
| 64 | P | 82.7 | Confident | 73.1 | Confident | 73 Ų | 73 | 94.9 Ų | 94.9 | 47% | 0.474 | 55% | 0.55 | S | S | . | . | trans | -66 | 150.8 | 172.7 | 29.4 | -34.3 | 0 | 0 | 0 | 110.9 | R66 | P64-R66 PolarHBondContact O-N 3.48Å; P64-R66 VanDerWaalsContact O-N 3.13Å | ||
| 65 | D | 83.4 | Confident | 74.8 | Confident | 160 Ų | 160 | 92 Ų | 92 | 86% | 0.856 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -59.5 | -26.7 | 179.2 | -60.2 | -47.9 | 0 | 0 | 0 | 113 | ||
| 66 | R | 84.3 | Confident | 76.4 | Confident | 157 Ų | 157 | 95.2 Ų | 95.2 | 59% | 0.592 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -134 | 139.6 | 178.2 | -66.5 | -176.9 | 176.9 | -92.5 | -11 | 110.7 | H48 D49 P64 | H48-R66 PolarHBondContact O-NH1 2.92Å; D49-R66 IonicContact OD1-CZ 3.25Å; D49-R66 IonicContact OD1-NH1 2.73Å; D49-R66 PolarHBondContact OD1-NH1 3.24Å; D49-R66 VanDerWaalsContact OD1-NH1 3.16Å; D49-R66 IonicContact OD1-NH2 2.84Å; D49-R66 PolarHBondContact OD1-NH2 3.08Å; P64-R66 PolarHBondContact O-N 3.48Å; P64-R66 VanDerWaalsContact O-N 3.13Å |
| 67 | C | 85.6 | Confident | 77.9 | Confident | 59 Ų | 59 | 104.8 Ų | 104.8 | 40% | 0.399 | 55% | 0.553 | S | S | . | * | trans | -74.2 | 132 | 171.7 | 176.4 | 0 | 0 | 0 | 0 | 110.8 | C88 | C67-C88 WeakPolarHBondContact CA-SG 3.42Å; C67-C88 HydrophobicContact CB-CB 3.73Å; C67-C88 WeakPolarHBondContact CB-SG 3.4Å; C67-C88 WeakPolarHBondContact SG-CA 3.45Å; C67-C88 WeakPolarHBondContact SG-CB 3.39Å; C67-C88 CovalentContact SG-SG 2.04Å; C67-C88 PolarHBondContact SG-SG 2.68Å | ||
| 68 | S | 87.8 | Confident | 79.4 | Confident | 51 Ų | 51 | 104.1 Ų | 104.1 | 36% | 0.357 | 55% | 0.55 | S | S | . | . | trans | -129.5 | 96.4 | 175.2 | -180 | 0 | 0 | 0 | 0 | 108.8 | D70 R71 | S68-D70 PolarHBondContact O-N 2.85Å; S68-R71 WeakPolarHBondContact O-CB 3.17Å; S68-R71 PolarHBondContact O-N 3.06Å | ||
| 69 | V | 86.3 | Confident | 80.8 | Confident | 97 Ų | 97 | 103.3 Ų | 103.3 | 59% | 0.588 | 56% | 0.559 | S | S | * | * | G | 310 helix | trans | -61.4 | -26.8 | -174.7 | -65 | 0 | 0 | 0 | 0 | 113.7 | R71 C72 | V69-R71 PolarHBondContact O-N 2.86Å; V69-R71 VanDerWaalsContact O-N 3.12Å; V69-C72 WeakPolarHBondContact O-CB 3.26Å; V69-C72 PolarHBondContact O-N 3.13Å; V69-C72 PolarHBondContact O-SG 3.5Å |
| 70 | D | 87.2 | Confident | 82 | Confident | 156 Ų | 156 | 104.5 Ų | 104.5 | 83% | 0.834 | 56% | 0.563 | S | S | * | * | G | 310 helix | trans | -64.8 | -15.4 | 175.9 | -55.7 | -50.2 | 0 | 0 | 0 | 113.3 | S68 | S68-D70 PolarHBondContact O-N 2.85Š|
| 71 | R | 84.8 | Confident | 83.3 | Confident | 207 Ų | 207 | 102 Ų | 102 | 78% | 0.781 | 54% | 0.537 | S | S | * | . | G | 310 helix | trans | -95.6 | -3 | 176.3 | -60 | -177.4 | 65.1 | -164.3 | -2.4 | 112.6 | S68 V69 | S68-R71 WeakPolarHBondContact O-CB 3.17Å; S68-R71 PolarHBondContact O-N 3.06Å; V69-R71 PolarHBondContact O-N 2.86Å; V69-R71 VanDerWaalsContact O-N 3.12Å |
| 72 | C | 85.3 | Confident | 84.1 | Confident | 32 Ų | 32 | 101 Ų | 101 | 22% | 0.216 | 53% | 0.531 | C | S | . | . | S | Bend | trans | -72.4 | 146.3 | 176.2 | -62 | 0 | 0 | 0 | 0 | 110.7 | V69 C89 | V69-C72 WeakPolarHBondContact O-CB 3.26Å; V69-C72 PolarHBondContact O-N 3.13Å; V69-C72 PolarHBondContact O-SG 3.5Å; C72-C89 WeakPolarHBondContact CA-SG 3.42Å; C72-C89 HydrophobicContact CB-CB 3.67Å; C72-C89 WeakPolarHBondContact CB-SG 3.06Å; C72-C89 WeakPolarHBondContact SG-CA 3.32Å; C72-C89 WeakPolarHBondContact SG-CB 3.39Å; C72-C89 CovalentContact SG-SG 2.03Å; C72-C89 PolarHBondContact SG-SG 2.88Å |
| 73 | G | 81.1 | Confident | 84.6 | Confident | 59 Ų | 59 | 97 Ų | 97 | 61% | 0.608 | 51% | 0.509 | S | S | * | . | trans | -69.1 | 169.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | A75 | G73-A75 PolarHBondContact O-N 3.04Š| ||
| 74 | D | 77.8 | Confident | 84.8 | Confident | 114 Ų | 114 | 96.3 Ų | 96.3 | 61% | 0.61 | 50% | 0.502 | S | S | * | . | trans | -83.3 | 114.3 | 178.7 | -174.3 | 14.9 | 0 | 0 | 0 | 111.6 | Q76 | D74-Q76 WeakPolarHBondContact OD1-CB 3.43Å; D74-Q76 WeakPolarHBondContact OD1-CG 3.06Å; D74-Q76 PolarHBondContact OD1-N 3.31Å | ||
| 75 | A | 80 | Confident | 84.8 | Confident | 18 Ų | 18 | 93.4 Ų | 93.4 | 15% | 0.149 | 48% | 0.483 | C | S | . | . | trans | -96.7 | 6.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | G73 R77 C78 T81 Q90 | G73-A75 PolarHBondContact O-N 3.04Å; A75-R77 PolarHBondContact O-N 3.21Å; A75-C78 WeakPolarHBondContact O-CB 3.44Å; A75-C78 PolarHBondContact O-N 3.18Å; A75-C78 PolarHBondContact O-SG 2.84Å; A75-T81 HydrophobicContact CB-CG2 3.84Å; A75-Q90 HydrophobicContact CB-CB 4.24Å; A75-Q90 WeakPolarHBondContact CB-O 3.28Å | ||
| 76 | Q | 76.1 | Confident | 84.7 | Confident | 177 Ų | 177 | 87.2 Ų | 87.2 | 83% | 0.827 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -18.3 | -177.6 | -74 | -167.1 | -7.3 | 0 | 0 | 114.2 | D74 | D74-Q76 WeakPolarHBondContact OD1-CB 3.43Å; D74-Q76 WeakPolarHBondContact OD1-CG 3.06Å; D74-Q76 PolarHBondContact OD1-N 3.31Å |
| 77 | R | 84 | Confident | 84.7 | Confident | 233 Ų | 233 | 81.6 Ų | 81.6 | 88% | 0.879 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -7.8 | 177.2 | -64 | -175.4 | 176.9 | 179.5 | -0.6 | 113.9 | A75 | A75-R77 PolarHBondContact O-N 3.21Š|
| 78 | C | 85.2 | Confident | 84.7 | Confident | 24 Ų | 24 | 79.8 Ų | 79.8 | 16% | 0.162 | 43% | 0.43 | C | S | . | . | trans | -80.3 | 133.7 | -179.3 | -44.9 | 0 | 0 | 0 | 0 | 110 | A75 R80 T81 C92 | A75-C78 WeakPolarHBondContact O-CB 3.44Å; A75-C78 PolarHBondContact O-N 3.18Å; A75-C78 PolarHBondContact O-SG 2.84Å; C78-R80 WeakPolarHBondContact CB-O 3.09Å; C78-R80 PolarHBondContact O-N 3.5Å; C78-T81 HydrophobicContact CB-CG2 3.81Å; C78-C92 HydrophobicContact CB-CB 3.8Å; C78-C92 WeakPolarHBondContact CB-SG 3.35Å; C78-C92 WeakPolarHBondContact SG-CA 3.49Å; C78-C92 WeakPolarHBondContact SG-CB 3.42Å; C78-C92 PolarHBondContact SG-N 3.16Å; C78-C92 CovalentContact SG-SG 2.02Å; C78-C92 PolarHBondContact SG-SG 2.82Å | ||
| 79 | T | 87.6 | Confident | 84.6 | Confident | 153 Ų | 153 | 78.4 Ų | 78.4 | 94% | 0.939 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -59.3 | -29.7 | 168.6 | -54.3 | 0 | 0 | 0 | 0 | 111.8 | ||
| 80 | R | 88.6 | Confident | 84.7 | Confident | 72 Ų | 72 | 78.3 Ų | 78.3 | 27% | 0.272 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -152 | 147.8 | -178.9 | 56.9 | -176.1 | -156.9 | 162.4 | 13.4 | 111 | C78 A93 A94 G95 | C78-R80 WeakPolarHBondContact CB-O 3.09Å; C78-R80 PolarHBondContact O-N 3.5Å; R80-A93 HydrophobicContact CG-CB 4.02Å; R80-A93 VanDerWaalsContact CG-O 3.26Å; R80-A93 WeakPolarHBondContact CG-O 3.44Å; R80-A93 PolarHBondContact NE-O 3.1Å; R80-A93 PolarHBondContact O-N 3.23Å; R80-A94 PolarHBondContact NH2-O 2.81Å; R80-G95 VanDerWaalsContact NH2-N 3.11Å |
| 81 | T | 90.2 | Very high | 84.6 | Confident | 57 Ų | 57 | 72 Ų | 72 | 35% | 0.35 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 154.8 | -178.8 | 65.2 | 0 | 0 | 0 | 0 | 112.4 | A75 C78 Q90 V91 | A75-T81 HydrophobicContact CB-CG2 3.84Å; C78-T81 HydrophobicContact CB-CG2 3.81Å; T81-Q90 PolarHBondContact OG1-OE1 2.81Å; T81-V91 CarbonylContact C-O 3.53Å; T81-V91 WeakPolarHBondContact CA-O 3.04Å; T81-V91 VanDerWaalsContact CB-O 3.31Å; T81-V91 WeakPolarHBondContact CB-O 3.41Å |
| 82 | V | 89.9 | Confident | 84.8 | Confident | 9 Ų | 9 | 64.8 Ų | 64.8 | 6% | 0.055 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 167.9 | 167.9 | -67.6 | 0 | 0 | 0 | 0 | 108.9 | Q90 V91 A93 K111 V144 | V82-Q90 WeakPolarHBondContact O-CA 3.41Å; V82-Q90 PolarHBondContact O-OE1 3.21Å; V82-V91 HydrophobicContact CG2-CG2 4.21Å; V82-V91 PolarHBondContact N-O 3.38Å; V82-V91 WeakPolarHBondContact O-CG2 3.36Å; V82-V91 PolarHBondContact O-N 3.39Å; V82-A93 HydrophobicContact CB-CB 4.33Å; V82-A93 HydrophobicContact CG1-CB 3.77Å; V82-A93 HydrophobicContact CG2-CB 3.85Å; V82-K111 HydrophobicContact CG2-CB 3.81Å; V82-K111 HydrophobicContact CG2-CD 4.33Å; V82-K111 HydrophobicContact CG2-CG 4.45Å; V82-V144 HydrophobicContact CG1-CG2 3.82Å |
| 83 | L | 87.8 | Confident | 85.1 | Confident | 84 Ų | 84 | 63.8 Ų | 63.8 | 44% | 0.44 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 147.1 | 172.7 | -67.4 | 173 | 0 | 0 | 0 | 111.2 | C89 K111 | L83-C89 CarbonylContact C-O 3.45Å; L83-C89 WeakPolarHBondContact CA-O 3.36Å; L83-K111 WeakPolarHBondContact O-CD 3.4Å |
| 84 | D | 85.1 | Confident | 85.6 | Confident | 30 Ų | 30 | 61 Ų | 61 | 16% | 0.16 | 33% | 0.327 | C | S | . | . | trans | -61.4 | 176.8 | 167.4 | 68.9 | 10 | 0 | 0 | 0 | 112.1 | C86 G87 C88 C89 V91 | D84-C86 PolarHBondContact O-N 2.99Å; D84-C86 VanDerWaalsContact OD1-C 3.31Å; D84-C86 WeakPolarHBondContact OD1-CA 3.03Å; D84-C86 PolarHBondContact OD1-N 2.71Å; D84-G87 PolarHBondContact O-N 2.82Å; D84-G87 PolarHBondContact OD1-N 2.96Å; D84-C88 PolarHBondContact OD1-N 3.39Å; D84-C89 HydrophobicContact CB-CB 4.49Å; D84-C89 PolarHBondContact N-O 3.18Å; D84-C89 PolarHBondContact OD1-N 3.2Å; D84-C89 WeakPolarHBondContact OD2-CB 3.15Å; D84-C89 PolarHBondContact OD2-N 2.69Å; D84-C89 VanDerWaalsContact OD2-N 3.09Å; D84-V91 HydrophobicContact CB-CG1 4.13Å | ||
| 85 | D | 82.5 | Confident | 86.3 | Confident | 12 Ų | 12 | 56 Ų | 56 | 6% | 0.064 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -22.4 | 178.3 | -79.6 | -50.4 | 0 | 0 | 0 | 115.1 | Y59 V61 V104 K111 | Y59-D85 HydrophobicContact CE2-CB 4.49Å; Y59-D85 VanDerWaalsContact CE2-OD1 3.32Å; Y59-D85 WeakPolarHBondContact CE2-OD1 3.2Å; Y59-D85 PolarHBondContact OH-OD1 3.43Å; V61-D85 HydrophobicContact CB-CB 4.42Å; V61-D85 HydrophobicContact CG1-CB 3.92Å; V61-D85 HydrophobicContact CG2-CB 4.31Å; D85-V104 PolarHBondContact OD2-N 3.47Å; D85-K111 IonicContact OD1-NZ 2.94Å; D85-K111 PolarHBondContact OD1-NZ 2.02Å; D85-K111 IonicContact OD2-NZ 2.63Å; D85-K111 PolarHBondContact OD2-NZ 3.36Å |
| 86 | C | 82.8 | Confident | 87 | Confident | 31 Ų | 31 | 62.4 Ų | 62.4 | 21% | 0.209 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | -4.8 | 178.7 | -60.8 | 0 | 0 | 0 | 0 | 112.7 | C63 D84 C88 | C63-C86 WeakPolarHBondContact CA-SG 3.49Å; C63-C86 HydrophobicContact CB-CB 3.72Å; C63-C86 WeakPolarHBondContact CB-SG 3.45Å; C63-C86 WeakPolarHBondContact SG-CA 2.98Å; C63-C86 WeakPolarHBondContact SG-CB 3.14Å; C63-C86 CovalentContact SG-SG 2.04Å; C63-C86 PolarHBondContact SG-SG 3.39Å; D84-C86 PolarHBondContact O-N 2.99Å; D84-C86 VanDerWaalsContact OD1-C 3.31Å; D84-C86 WeakPolarHBondContact OD1-CA 3.03Å; D84-C86 PolarHBondContact OD1-N 2.71Å; C86-C88 PolarHBondContact O-N 3.07Å |
| 87 | G | 83.3 | Confident | 87.8 | Confident | 38 Ų | 38 | 58.6 Ų | 58.6 | 39% | 0.392 | 31% | 0.308 | S | S | . | . | S | Bend | trans | 70.1 | 15.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | D84 | D84-G87 PolarHBondContact O-N 2.82Å; D84-G87 PolarHBondContact OD1-N 2.96Å |
| 88 | C | 85.8 | Confident | 88.2 | Confident | 21 Ų | 21 | 52.6 Ų | 52.6 | 14% | 0.142 | 29% | 0.29 | C | S | . | . | trans | -104.3 | -59.5 | -170.8 | -178.1 | 0 | 0 | 0 | 0 | 112.5 | C67 D84 C86 | C67-C88 WeakPolarHBondContact CA-SG 3.42Å; C67-C88 HydrophobicContact CB-CB 3.73Å; C67-C88 WeakPolarHBondContact CB-SG 3.4Å; C67-C88 WeakPolarHBondContact SG-CA 3.45Å; C67-C88 WeakPolarHBondContact SG-CB 3.39Å; C67-C88 CovalentContact SG-SG 2.04Å; C67-C88 PolarHBondContact SG-SG 2.68Å; D84-C88 PolarHBondContact OD1-N 3.39Å; C86-C88 PolarHBondContact O-N 3.07Å | ||
| 89 | C | 85.6 | Confident | 88.4 | Confident | 22 Ų | 22 | 56.2 Ų | 56.2 | 15% | 0.149 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -94 | 142.1 | -173.5 | -63.1 | 0 | 0 | 0 | 0 | 112.2 | C72 L83 D84 | C72-C89 WeakPolarHBondContact CA-SG 3.42Å; C72-C89 HydrophobicContact CB-CB 3.67Å; C72-C89 WeakPolarHBondContact CB-SG 3.06Å; C72-C89 WeakPolarHBondContact SG-CA 3.32Å; C72-C89 WeakPolarHBondContact SG-CB 3.39Å; C72-C89 CovalentContact SG-SG 2.03Å; C72-C89 PolarHBondContact SG-SG 2.88Å; L83-C89 CarbonylContact C-O 3.45Å; L83-C89 WeakPolarHBondContact CA-O 3.36Å; D84-C89 HydrophobicContact CB-CB 4.49Å; D84-C89 PolarHBondContact N-O 3.18Å; D84-C89 PolarHBondContact OD1-N 3.2Å; D84-C89 WeakPolarHBondContact OD2-CB 3.15Å; D84-C89 PolarHBondContact OD2-N 2.69Å; D84-C89 VanDerWaalsContact OD2-N 3.09Å |
| 90 | Q | 87.8 | Confident | 88.4 | Confident | 95 Ų | 95 | 49 Ų | 49 | 44% | 0.444 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 129 | 164.5 | -68.5 | -72 | -4.2 | 0 | 0 | 108.9 | A75 T81 V82 | A75-Q90 HydrophobicContact CB-CB 4.24Å; A75-Q90 WeakPolarHBondContact CB-O 3.28Å; T81-Q90 PolarHBondContact OG1-OE1 2.81Å; V82-Q90 WeakPolarHBondContact O-CA 3.41Å; V82-Q90 PolarHBondContact O-OE1 3.21Å |
| 91 | V | 86.1 | Confident | 88.2 | Confident | 25 Ų | 25 | 49 Ų | 49 | 15% | 0.152 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 157.6 | 177.5 | -62.2 | 0 | 0 | 0 | 0 | 109.8 | T81 V82 D84 | T81-V91 CarbonylContact C-O 3.53Å; T81-V91 WeakPolarHBondContact CA-O 3.04Å; T81-V91 VanDerWaalsContact CB-O 3.31Å; T81-V91 WeakPolarHBondContact CB-O 3.41Å; V82-V91 HydrophobicContact CG2-CG2 4.21Å; V82-V91 PolarHBondContact N-O 3.38Å; V82-V91 WeakPolarHBondContact O-CG2 3.36Å; V82-V91 PolarHBondContact O-N 3.39Å; D84-V91 HydrophobicContact CB-CG1 4.13Å |
| 92 | C | 89 | Confident | 87.5 | Confident | 55 Ų | 55 | 50.2 Ų | 50.2 | 37% | 0.372 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 140.5 | 176.1 | -67.6 | 0 | 0 | 0 | 0 | 111 | C78 V110 | C78-C92 HydrophobicContact CB-CB 3.8Å; C78-C92 WeakPolarHBondContact CB-SG 3.35Å; C78-C92 WeakPolarHBondContact SG-CA 3.49Å; C78-C92 WeakPolarHBondContact SG-CB 3.42Å; C78-C92 PolarHBondContact SG-N 3.16Å; C78-C92 CovalentContact SG-SG 2.02Å; C78-C92 PolarHBondContact SG-SG 2.82Å; C92-V110 HydrophobicContact CB-CG1 4.21Å |
| 93 | A | 90.9 | Very high | 86.5 | Confident | 10 Ų | 10 | 53 Ų | 53 | 8% | 0.083 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 124 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | R80 V82 K111 | R80-A93 HydrophobicContact CG-CB 4.02Å; R80-A93 VanDerWaalsContact CG-O 3.26Å; R80-A93 WeakPolarHBondContact CG-O 3.44Å; R80-A93 PolarHBondContact NE-O 3.1Å; R80-A93 PolarHBondContact O-N 3.23Å; V82-A93 HydrophobicContact CB-CB 4.33Å; V82-A93 HydrophobicContact CG1-CB 3.77Å; V82-A93 HydrophobicContact CG2-CB 3.85Å; A93-K111 CarbonylContact C-O 3.55Å; A93-K111 WeakPolarHBondContact CA-O 3.31Å |
| 94 | A | 91.8 | Very high | 85.4 | Confident | 2 Ų | 2 | 49.2 Ų | 49.2 | 2% | 0.017 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 125.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | R80 E98 H99 V110 K111 G113 C134 | R80-A94 PolarHBondContact NH2-O 2.81Å; A94-E98 WeakPolarHBondContact CA-OE2 2.99Å; A94-E98 HydrophobicContact CB-CB 3.95Å; A94-H99 WeakPolarHBondContact CB-O 3.29Å; A94-V110 HydrophobicContact CB-CB 3.87Å; A94-V110 HydrophobicContact CB-CG2 3.7Å; A94-K111 PolarHBondContact N-O 2.79Å; A94-G113 PolarHBondContact O-N 2.81Å; A94-C134 PolarHBondContact O-SG 2.9Å |
| 95 | G | 93.1 | Very high | 83.9 | Confident | 9 Ų | 9 | 52.4 Ų | 52.4 | 9% | 0.093 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -47.7 | 167.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | R80 N97 E98 C134 | R80-G95 VanDerWaalsContact NH2-N 3.11Å; G95-N97 PolarHBondContact O-N 2.79Å; G95-E98 VanDerWaalsContact CA-CD 3.46Å; G95-E98 WeakPolarHBondContact CA-OE2 3.15Å; G95-E98 PolarHBondContact N-OE2 3.08Å; G95-E98 WeakPolarHBondContact O-CB 3.02Å; G95-E98 PolarHBondContact O-N 3.17Å; G95-E98 VanDerWaalsContact O-N 3.1Å; G95-C134 WeakPolarHBondContact O-CB 2.91Å |
| 96 | R | 94.4 | Very high | 82.4 | Confident | 151 Ų | 151 | 54.4 Ų | 54.4 | 57% | 0.57 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | 134.3 | 167.3 | -176.3 | -170.7 | -72.2 | -172.8 | -0.8 | 108.7 | E98 L116 D136 | R96-E98 PolarHBondContact O-N 3.27Å; R96-L116 HydrophobicContact CB-CD1 4.44Å; R96-L116 HydrophobicContact CB-CD2 4.18Å; R96-L116 HydrophobicContact CG-CD2 4.39Å; R96-D136 IonicContact CZ-OD1 2.89Å; R96-D136 IonicContact CZ-OD2 2.68Å; R96-D136 VanDerWaalsContact NE-CG 3.33Å; R96-D136 IonicContact NE-OD1 3.57Å; R96-D136 PolarHBondContact NE-OD1 2.82Å; R96-D136 IonicContact NE-OD2 2.65Å; R96-D136 PolarHBondContact NE-OD2 2.7Å; R96-D136 IonicContact NH1-OD2 3.11Å; R96-D136 IonicContact NH2-OD1 3.1Å; R96-D136 PolarHBondContact NH2-OD1 3.16Å; R96-D136 IonicContact NH2-OD2 2.96Å; R96-D136 PolarHBondContact NH2-OD2 3.14Å; R96-D136 VanDerWaalsContact NH2-OD2 3.11Å |
| 97 | N | 93.3 | Very high | 80.8 | Confident | 97 Ų | 97 | 61 Ų | 61 | 52% | 0.519 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.7 | 10.8 | -175.8 | -57.4 | -46.3 | 0 | 0 | 0 | 115.5 | G95 I133 C134 K135 | G95-N97 PolarHBondContact O-N 2.79Å; N97-I133 HydrophobicContact CB-CG2 4.4Å; N97-C134 PolarHBondContact N-O 3.32Å; N97-K135 PolarHBondContact OD1-NZ 2.75Å; N97-K135 VanDerWaalsContact OD1-NZ 3.15Å |
| 98 | E | 91.6 | Very high | 79.3 | Confident | 108 Ų | 108 | 67.4 Ų | 67.4 | 51% | 0.505 | 35% | 0.353 | S | S | . | . | trans | -86.8 | 160.6 | 168.7 | -65.8 | -179.6 | -169.7 | 0 | 0 | 110.7 | A94 G95 R96 I133 C134 | A94-E98 WeakPolarHBondContact CA-OE2 2.99Å; A94-E98 HydrophobicContact CB-CB 3.95Å; G95-E98 VanDerWaalsContact CA-CD 3.46Å; G95-E98 WeakPolarHBondContact CA-OE2 3.15Å; G95-E98 PolarHBondContact N-OE2 3.08Å; G95-E98 WeakPolarHBondContact O-CB 3.02Å; G95-E98 PolarHBondContact O-N 3.17Å; G95-E98 VanDerWaalsContact O-N 3.1Å; R96-E98 PolarHBondContact O-N 3.27Å; E98-I133 WeakPolarHBondContact O-CA 3.41Å; E98-C134 PolarHBondContact O-N 2.89Å | ||
| 99 | H | 88.7 | Confident | 78.2 | Confident | 100 Ų | 100 | 67.1 Ų | 67.1 | 46% | 0.463 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 145.6 | 179.8 | -69.2 | 46.4 | 0 | 0 | 0 | 110.4 | A94 V110 Y131 G132 I133 | A94-H99 WeakPolarHBondContact CB-O 3.29Å; H99-V110 WeakPolarHBondContact O-CG2 3.31Å; H99-Y131 AromaticContact CD2-CD2 3.83Å; H99-G132 WeakPolarHBondContact CA-O 3.12Å; H99-I133 WeakPolarHBondContact ND1-CD1 3.26Å |
| 100 | C | 88.3 | Confident | 77.8 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 155.9 | 176 | 51.9 | 0 | 0 | 0 | 0 | 110.7 | V110 C112 C118 Y131 G132 I133 C134 | C100-V110 WeakPolarHBondContact CA-O 3.33Å; C100-C112 VanDerWaalsContact CB-SG 3.55Å; C100-C118 HydrophobicContact CB-CB 3.9Å; C100-C118 WeakPolarHBondContact CB-SG 3.42Å; C100-C118 WeakPolarHBondContact SG-CA 3.31Å; C100-C118 WeakPolarHBondContact SG-CB 3.17Å; C100-C118 CovalentContact SG-SG 2.02Å; C100-C118 PolarHBondContact SG-SG 2.83Å; C100-Y131 WeakPolarHBondContact O-CA 3.01Å; C100-G132 PolarHBondContact N-O 3.34Å; C100-G132 PolarHBondContact O-N 3.33Å; C100-G132 PolarHBondContact SG-O 2.04Å; C100-I133 VanDerWaalsContact SG-C 3.55Å; C100-C134 VanDerWaalsContact CB-SG 3.6Å |
| 101 | Y | 84.2 | Confident | 77.8 | Confident | 74 Ų | 74 | 64.2 Ų | 64.2 | 29% | 0.29 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 155.1 | -178.1 | -66.5 | -89.8 | 0 | 0 | 0 | 110.8 | V110 D129 | Y101-V110 HydrophobicContact CD2-CG2 4.5Å; Y101-V110 PolarHBondContact N-O 3.39Å; Y101-D129 HydrophobicContact CD1-CB 4.48Å; Y101-D129 HydrophobicContact CE1-CB 4.46Å |
| 102 | R | 75.7 | Confident | 78.1 | Confident | 81 Ų | 81 | 63.3 Ų | 63.3 | 31% | 0.306 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -66.3 | -46.9 | -177.5 | -161.3 | -177.8 | -109.2 | 74.2 | -9.3 | 112.2 | Y59 F120 E130 | Y59-R102 HydrophobicContact CD1-CG 4.13Å; Y59-R102 HydrophobicContact CE1-CG 4.31Å; Y59-R102 WeakPolarHBondContact CE1-O 3.44Å; Y59-R102 WeakPolarHBondContact CE2-O 2.97Å; Y59-R102 PolarHBondContact OH-O 3.06Å; R102-F120 HydrophobicContact CB-CE1 3.74Å; R102-F120 HydrophobicContact CB-CZ 3.74Å; R102-F120 HydrophobicContact CG-CE1 4.29Å; R102-F120 HydrophobicContact CG-CE2 4.37Å; R102-F120 HydrophobicContact CG-CZ 3.88Å; R102-F120 VanDerWaalsContact NH1-CE1 3.31Å; R102-E130 IonicContact CZ-OE1 2.95Å; R102-E130 VanDerWaalsContact CZ-OE1 3.25Å; R102-E130 IonicContact CZ-OE2 2.98Å; R102-E130 IonicContact NE-OE2 2.97Å; R102-E130 IonicContact NH1-OE1 3.73Å; R102-E130 PolarHBondContact NH1-OE1 3.09Å; R102-E130 IonicContact NH1-OE2 3.9Å; R102-E130 PolarHBondContact NH1-OE2 3.43Å; R102-E130 IonicContact NH2-OE1 2.53Å; R102-E130 PolarHBondContact NH2-OE1 3.28Å; R102-E130 IonicContact NH2-OE2 3.04Å; R102-E130 PolarHBondContact NH2-OE2 3Å |
| 103 | T | 69.3 | Low | 78.3 | Confident | 68 Ų | 68 | 60.7 Ų | 60.7 | 42% | 0.417 | 32% | 0.317 | S | S | . | . | trans | -122.2 | 134.7 | 178.5 | 47.1 | 0 | 0 | 0 | 0 | 109.2 | Y59 V61 | Y59-T103 HydrophobicContact CD2-CG2 3.32Å; Y59-T103 HydrophobicContact CE2-CG2 3.56Å; Y59-T103 HydrophobicContact CG-CG2 4.14Å; V61-T103 HydrophobicContact CG1-CG2 3.99Å | ||
| 104 | V | 64.8 | Low | 78.5 | Confident | 4 Ų | 4 | 62.3 Ų | 62.3 | 2% | 0.024 | 33% | 0.327 | C | S | . | . | trans | -116.5 | 96.6 | 172 | -62.6 | 0 | 0 | 0 | 0 | 109 | D85 K111 | D85-V104 PolarHBondContact OD2-N 3.47Å; V104-K111 HydrophobicContact CB-CG 4.39Å; V104-K111 HydrophobicContact CG1-CG 3.98Å; V104-K111 HydrophobicContact CG2-CD 3.67Å; V104-K111 HydrophobicContact CG2-CG 3.42Å; V104-K111 VanDerWaalsContact CG2-CG 3.42Å | ||
| 105 | S | 53 | Low | 78.7 | Confident | 97 Ų | 97 | 62.3 Ų | 62.3 | 68% | 0.678 | 33% | 0.328 | S | S | * | . | trans | -110.8 | 92.6 | 169 | -85.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 106 | G | 50.7 | Low | 78.8 | Confident | 54 Ų | 54 | 62.2 Ų | 62.2 | 56% | 0.557 | 33% | 0.325 | S | S | * | . | S | Bend | trans | 111.5 | -161.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115 | H108 | G106-H108 VanDerWaalsContact C-N 3.34Å; G106-H108 PolarHBondContact O-N 3.13Å |
| 107 | M | 50 | Low | 78.7 | Confident | 169 Ų | 169 | 58 Ų | 58 | 83% | 0.833 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -78.5 | -14 | -167.1 | -148.2 | 174.5 | 78.7 | 0 | 0 | 114.1 | ||
| 108 | H | 52.2 | Low | 78.6 | Confident | 173 Ų | 173 | 54.5 Ų | 54.5 | 80% | 0.801 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -115.5 | 100.1 | -178.6 | -62.7 | 171 | 0 | 0 | 0 | 108.8 | G106 | G106-H108 VanDerWaalsContact C-N 3.34Å; G106-H108 PolarHBondContact O-N 3.13Å |
| 109 | G | 62.3 | Low | 78.6 | Confident | 15 Ų | 15 | 53.3 Ų | 53.3 | 16% | 0.155 | 29% | 0.288 | C | S | . | . | trans | 149.7 | 131 | -176.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 110 | V | 77.1 | Confident | 78.5 | Confident | 45 Ų | 45 | 51.7 Ų | 51.7 | 27% | 0.273 | 28% | 0.28 | S | S | . | . | trans | -127.2 | 130.8 | -178.3 | -73 | 0 | 0 | 0 | 0 | 109.6 | C92 A94 H99 C100 Y101 | C92-V110 HydrophobicContact CB-CG1 4.21Å; A94-V110 HydrophobicContact CB-CB 3.87Å; A94-V110 HydrophobicContact CB-CG2 3.7Å; H99-V110 WeakPolarHBondContact O-CG2 3.31Å; C100-V110 WeakPolarHBondContact CA-O 3.33Å; Y101-V110 HydrophobicContact CD2-CG2 4.5Å; Y101-V110 PolarHBondContact N-O 3.39Å | ||
| 111 | K | 88 | Confident | 77.9 | Confident | 12 Ų | 12 | 56.3 Ų | 56.3 | 5% | 0.052 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 153.6 | 171.6 | -56.1 | -172.4 | 92.3 | 72.2 | 0 | 109.2 | Y59 V82 L83 D85 A93 A94 V104 E145 | Y59-K111 PolarHBondContact OH-NZ 3.06Å; V82-K111 HydrophobicContact CG2-CB 3.81Å; V82-K111 HydrophobicContact CG2-CD 4.33Å; V82-K111 HydrophobicContact CG2-CG 4.45Å; L83-K111 WeakPolarHBondContact O-CD 3.4Å; D85-K111 IonicContact OD1-NZ 2.94Å; D85-K111 PolarHBondContact OD1-NZ 2.02Å; D85-K111 IonicContact OD2-NZ 2.63Å; D85-K111 PolarHBondContact OD2-NZ 3.36Å; A93-K111 CarbonylContact C-O 3.55Å; A93-K111 WeakPolarHBondContact CA-O 3.31Å; A94-K111 PolarHBondContact N-O 2.79Å; V104-K111 HydrophobicContact CB-CG 4.39Å; V104-K111 HydrophobicContact CG1-CG 3.98Å; V104-K111 HydrophobicContact CG2-CD 3.67Å; V104-K111 HydrophobicContact CG2-CG 3.42Å; V104-K111 VanDerWaalsContact CG2-CG 3.42Å; K111-E145 IonicContact NZ-OE1 3.02Å |
| 112 | C | 92.4 | Very high | 77 | Confident | 5 Ų | 5 | 62.8 Ų | 62.8 | 3% | 0.034 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 143.2 | 171.8 | -57.4 | 0 | 0 | 0 | 0 | 111.4 | C100 L116 C134 | C100-C112 VanDerWaalsContact CB-SG 3.55Å; C112-L116 HydrophobicContact CB-CB 3.75Å; C112-C134 WeakPolarHBondContact CA-SG 3.12Å; C112-C134 HydrophobicContact CB-CB 3.85Å; C112-C134 WeakPolarHBondContact CB-SG 3.21Å; C112-C134 WeakPolarHBondContact SG-CA 3.42Å; C112-C134 WeakPolarHBondContact SG-CB 3.45Å; C112-C134 CovalentContact SG-SG 2.04Å; C112-C134 PolarHBondContact SG-SG 3.22Å |
| 113 | G | 93.5 | Very high | 76.5 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 34% | 0.34 | C | S | . | . | trans | -66.2 | 174.6 | 174 | 0 | 0 | 0 | 0 | 0 | 113.4 | A94 L116 | A94-G113 PolarHBondContact O-N 2.81Å; G113-L116 WeakPolarHBondContact O-CB 3.38Å; G113-L116 PolarHBondContact O-N 3.2Å | ||
| 114 | P | 94.8 | Very high | 76.3 | Confident | 45 Ų | 45 | 66.9 Ų | 66.9 | 29% | 0.292 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53 | 144.6 | 172.9 | -23.1 | 33.6 | 0 | 0 | 0 | 111.8 | L116 V144 E160 | P114-L116 PolarHBondContact O-N 2.96Å; P114-V144 HydrophobicContact CB-CG2 4.4Å; P114-V144 HydrophobicContact CG-CG2 4.01Å; P114-E160 HydrophobicContact CB-CB 4.27Å |
| 115 | G | 95.6 | Very high | 76.4 | Confident | 2 Ų | 2 | 68.3 Ų | 68.3 | 2% | 0.021 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77 | 3.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115 | C137 G143 R159 | G115-C137 PolarHBondContact O-N 3.41Å; G115-C137 PolarHBondContact O-SG 3.45Å; G115-C137 VanDerWaalsContact O-SG 3.35Å; G115-G143 PolarHBondContact N-O 3.34Å; G115-R159 VanDerWaalsContact CA-C 3.48Å; G115-R159 WeakPolarHBondContact CA-O 3.49Å; G115-R159 PolarHBondContact N-O 2.53Å |
| 116 | L | 95.2 | Very high | 77.3 | Confident | 7 Ų | 7 | 71.8 Ų | 71.8 | 4% | 0.037 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 151.5 | 177.5 | -53.9 | 171.6 | 0 | 0 | 0 | 111.1 | R96 C112 G113 P114 C134 K135 D136 E145 | R96-L116 HydrophobicContact CB-CD1 4.44Å; R96-L116 HydrophobicContact CB-CD2 4.18Å; R96-L116 HydrophobicContact CG-CD2 4.39Å; C112-L116 HydrophobicContact CB-CB 3.75Å; G113-L116 WeakPolarHBondContact O-CB 3.38Å; G113-L116 PolarHBondContact O-N 3.2Å; P114-L116 PolarHBondContact O-N 2.96Å; L116-C134 HydrophobicContact CB-CB 4.37Å; L116-C134 HydrophobicContact CD1-CB 4.14Å; L116-K135 CarbonylContact C-O 3.47Å; L116-K135 WeakPolarHBondContact CA-O 3.42Å; L116-K135 WeakPolarHBondContact CB-O 3.04Å; L116-D136 WeakPolarHBondContact CD2-OD1 3.37Å; L116-E145 PolarHBondContact O-N 3.24Å |
| 117 | F | 92.9 | Very high | 78.3 | Confident | 63 Ų | 63 | 79 Ų | 79 | 28% | 0.276 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 156.3 | 166 | 72.8 | -77 | 0 | 0 | 0 | 110.5 | E119 C134 K135 D136 | F117-E119 HydrophobicContact CE2-CB 3.86Å; F117-E119 HydrophobicContact CE2-CG 4.48Å; F117-E119 HydrophobicContact CZ-CB 4.37Å; F117-E119 PolarHBondContact O-N 3.19Å; F117-C134 WeakPolarHBondContact O-CA 3.43Å; F117-K135 HydrophobicContact CD1-CB 4.26Å; F117-K135 WeakPolarHBondContact CD1-O 3.38Å; F117-K135 HydrophobicContact CE1-CB 3.69Å; F117-K135 HydrophobicContact CZ-CB 3.9Å; F117-K135 PolarHBondContact N-O 2.04Å; F117-K135 PolarHBondContact O-N 3.5Å; F117-D136 VanDerWaalsContact CE1-O 3.24Å; F117-D136 WeakPolarHBondContact CE1-O 3.32Å |
| 118 | C | 91.4 | Very high | 79.2 | Confident | 23 Ų | 23 | 72.6 Ų | 72.6 | 16% | 0.155 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 113.8 | 174.7 | -165.5 | 0 | 0 | 0 | 0 | 109.7 | C100 F120 | C100-C118 HydrophobicContact CB-CB 3.9Å; C100-C118 WeakPolarHBondContact CB-SG 3.42Å; C100-C118 WeakPolarHBondContact SG-CA 3.31Å; C100-C118 WeakPolarHBondContact SG-CB 3.17Å; C100-C118 CovalentContact SG-SG 2.02Å; C100-C118 PolarHBondContact SG-SG 2.83Å; C118-F120 HydrophobicContact CB-CE1 4.42Å; C118-F120 HydrophobicContact CB-CE2 4.09Å; C118-F120 HydrophobicContact CB-CZ 3.86Å; C118-F120 WeakPolarHBondContact SG-CE1 3.47Å; C118-F120 VanDerWaalsContact SG-CZ 3.52Å |
| 119 | E | 91.4 | Very high | 80 | Confident | 82 Ų | 82 | 68.9 Ų | 68.9 | 38% | 0.383 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 106.2 | 171.4 | -177.3 | 175.5 | -121.1 | 0 | 0 | 108.4 | F117 G132 I133 K135 | F117-E119 HydrophobicContact CE2-CB 3.86Å; F117-E119 HydrophobicContact CE2-CG 4.48Å; F117-E119 HydrophobicContact CZ-CB 4.37Å; F117-E119 PolarHBondContact O-N 3.19Å; E119-G132 CarbonylContact O-C 3.45Å; E119-G132 WeakPolarHBondContact O-CA 3.01Å; E119-I133 PolarHBondContact N-O 3.1Å; E119-I133 PolarHBondContact O-N 3.41Å; E119-K135 HydrophobicContact CB-CG 3.76Å; E119-K135 VanDerWaalsContact OE2-CE 3.31Å; E119-K135 WeakPolarHBondContact OE2-CE 3.42Å; E119-K135 WeakPolarHBondContact OE2-CG 3.46Å |
| 120 | F | 84.9 | Confident | 80.6 | Confident | 67 Ų | 67 | 71.3 Ų | 71.3 | 29% | 0.294 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 139.4 | -178.7 | -63.8 | -76.7 | 0 | 0 | 0 | 111.9 | R102 C118 E130 | R102-F120 HydrophobicContact CB-CE1 3.74Å; R102-F120 HydrophobicContact CB-CZ 3.74Å; R102-F120 HydrophobicContact CG-CE1 4.29Å; R102-F120 HydrophobicContact CG-CE2 4.37Å; R102-F120 HydrophobicContact CG-CZ 3.88Å; R102-F120 VanDerWaalsContact NH1-CE1 3.31Å; C118-F120 HydrophobicContact CB-CE1 4.42Å; C118-F120 HydrophobicContact CB-CE2 4.09Å; C118-F120 HydrophobicContact CB-CZ 3.86Å; C118-F120 WeakPolarHBondContact SG-CE1 3.47Å; C118-F120 VanDerWaalsContact SG-CZ 3.52Å; F120-E130 HydrophobicContact CB-CG 4.41Å; F120-E130 WeakPolarHBondContact CB-OE1 3.35Å; F120-E130 HydrophobicContact CD1-CG 4.26Å |
| 121 | Y | 76.9 | Confident | 80.9 | Confident | 97 Ų | 97 | 71.9 Ų | 71.9 | 38% | 0.38 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 160.6 | 165.7 | -65.6 | -70 | 0 | 0 | 0 | 110 | D123 Y131 I133 | Y121-D123 PolarHBondContact O-N 2.99Å; Y121-Y131 PolarHBondContact N-O 2.68Å; Y121-I133 HydrophobicContact CD2-CG1 4.46Å; Y121-I133 HydrophobicContact CE2-CB 4.22Å; Y121-I133 HydrophobicContact CE2-CG1 3.55Å |
| 122 | K | 65 | Low | 80.9 | Confident | 209 Ų | 209 | 71.3 Ų | 71.3 | 91% | 0.909 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79 | -1.5 | 176.3 | -68.9 | -169 | 175 | -173.8 | 0 | 113.3 | ||
| 123 | D | 65.3 | Low | 80.9 | Confident | 108 Ų | 108 | 72 Ų | 72 | 58% | 0.578 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 131.1 | -178.2 | -55.9 | -43.2 | 0 | 0 | 0 | 108.4 | Y121 | Y121-D123 PolarHBondContact O-N 2.99Å |
| 124 | E | 65.4 | Low | 80.9 | Confident | 127 Ų | 127 | 72 Ų | 72 | 59% | 0.593 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 147.6 | 169.8 | -60.5 | -169.9 | 170.9 | 0 | 0 | 108.7 | G128 | E124-G128 WeakPolarHBondContact OE2-CA 3.31Å |
| 125 | D | 66.9 | Low | 80.9 | Confident | 34 Ų | 34 | 72.5 Ų | 72.5 | 18% | 0.182 | 35% | 0.346 | C | S | . | . | trans | -69.2 | 177 | 171.8 | 66.1 | 16.6 | 0 | 0 | 0 | 111.3 | Y127 G128 D129 Y131 | D125-Y127 PolarHBondContact O-N 3.26Å; D125-Y127 WeakPolarHBondContact OD1-CA 3.36Å; D125-Y127 WeakPolarHBondContact OD1-CB 3.32Å; D125-Y127 PolarHBondContact OD1-N 2.01Å; D125-G128 PolarHBondContact O-N 3.35Å; D125-G128 PolarHBondContact OD1-N 2.88Å; D125-G128 VanDerWaalsContact OD1-N 3.11Å; D125-D129 PolarHBondContact N-O 3.35Å; D125-D129 PolarHBondContact OD1-N 2.62Å; D125-Y131 HydrophobicContact CB-CD1 3.72Å; D125-Y131 HydrophobicContact CB-CE1 3.88Å | ||
| 126 | D | 72.1 | Confident | 81 | Confident | 171 Ų | 171 | 74.6 Ų | 74.6 | 91% | 0.914 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -12.4 | 178.4 | -67.4 | -28.9 | 0 | 0 | 0 | 113.4 | ||
| 127 | Y | 71.1 | Confident | 81 | Confident | 205 Ų | 205 | 74.3 Ų | 74.3 | 80% | 0.804 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.8 | -3.7 | 178.3 | -60.2 | -81.1 | 0 | 0 | 0 | 113.5 | D125 | D125-Y127 PolarHBondContact O-N 3.26Å; D125-Y127 WeakPolarHBondContact OD1-CA 3.36Å; D125-Y127 WeakPolarHBondContact OD1-CB 3.32Å; D125-Y127 PolarHBondContact OD1-N 2.01Å |
| 128 | G | 68.4 | Low | 81.1 | Confident | 35 Ų | 35 | 74.8 Ų | 74.8 | 36% | 0.361 | 36% | 0.364 | S | S | . | . | S | Bend | trans | 83.5 | 12.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | E124 D125 | E124-G128 WeakPolarHBondContact OE2-CA 3.31Å; D125-G128 PolarHBondContact O-N 3.35Å; D125-G128 PolarHBondContact OD1-N 2.88Å; D125-G128 VanDerWaalsContact OD1-N 3.11Å |
| 129 | D | 69.8 | Low | 81.1 | Confident | 94 Ų | 94 | 80.2 Ų | 80.2 | 50% | 0.503 | 38% | 0.383 | S | S | . | . | trans | -91.5 | 132.7 | 177.4 | -73.5 | -41.5 | 0 | 0 | 0 | 110.5 | Y101 D125 Y131 | Y101-D129 HydrophobicContact CD1-CB 4.48Å; Y101-D129 HydrophobicContact CE1-CB 4.46Å; D125-D129 PolarHBondContact N-O 3.35Å; D125-D129 PolarHBondContact OD1-N 2.62Å; D129-Y131 PolarHBondContact O-N 3.18Å | ||
| 130 | E | 75.1 | Confident | 81.1 | Confident | 67 Ų | 67 | 77.2 Ų | 77.2 | 31% | 0.313 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 110.1 | 175.2 | -164 | -176.2 | 146.8 | 0 | 0 | 109.7 | R102 F120 | R102-E130 IonicContact CZ-OE1 2.95Å; R102-E130 VanDerWaalsContact CZ-OE1 3.25Å; R102-E130 IonicContact CZ-OE2 2.98Å; R102-E130 IonicContact NE-OE2 2.97Å; R102-E130 IonicContact NH1-OE1 3.73Å; R102-E130 PolarHBondContact NH1-OE1 3.09Å; R102-E130 IonicContact NH1-OE2 3.9Å; R102-E130 PolarHBondContact NH1-OE2 3.43Å; R102-E130 IonicContact NH2-OE1 2.53Å; R102-E130 PolarHBondContact NH2-OE1 3.28Å; R102-E130 IonicContact NH2-OE2 3.04Å; R102-E130 PolarHBondContact NH2-OE2 3Å; F120-E130 HydrophobicContact CB-CG 4.41Å; F120-E130 WeakPolarHBondContact CB-OE1 3.35Å; F120-E130 HydrophobicContact CD1-CG 4.26Å |
| 131 | Y | 82.9 | Confident | 81.6 | Confident | 56 Ų | 56 | 75.4 Ų | 75.4 | 22% | 0.22 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 160.6 | 177.8 | 71.3 | -80.6 | 0 | 0 | 0 | 111.6 | H99 C100 Y121 D125 D129 | H99-Y131 AromaticContact CD2-CD2 3.83Å; C100-Y131 WeakPolarHBondContact O-CA 3.01Å; Y121-Y131 PolarHBondContact N-O 2.68Å; D125-Y131 HydrophobicContact CB-CD1 3.72Å; D125-Y131 HydrophobicContact CB-CE1 3.88Å; D129-Y131 PolarHBondContact O-N 3.18Å |
| 132 | G | 88.6 | Confident | 82.5 | Confident | 0 Ų | 0 | 73.3 Ų | 73.3 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | -174.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | H99 C100 E119 | H99-G132 WeakPolarHBondContact CA-O 3.12Å; C100-G132 PolarHBondContact N-O 3.34Å; C100-G132 PolarHBondContact O-N 3.33Å; C100-G132 PolarHBondContact SG-O 2.04Å; E119-G132 CarbonylContact O-C 3.45Å; E119-G132 WeakPolarHBondContact O-CA 3.01Å |
| 133 | I | 90.9 | Very high | 83.9 | Confident | 19 Ų | 19 | 63.8 Ų | 63.8 | 10% | 0.097 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 136.7 | 176.4 | -65.5 | -69.9 | 0 | 0 | 0 | 109.7 | N97 E98 H99 C100 E119 Y121 K135 | N97-I133 HydrophobicContact CB-CG2 4.4Å; E98-I133 WeakPolarHBondContact O-CA 3.41Å; H99-I133 WeakPolarHBondContact ND1-CD1 3.26Å; C100-I133 VanDerWaalsContact SG-C 3.55Å; E119-I133 PolarHBondContact N-O 3.1Å; E119-I133 PolarHBondContact O-N 3.41Å; Y121-I133 HydrophobicContact CD2-CG1 4.46Å; Y121-I133 HydrophobicContact CE2-CB 4.22Å; Y121-I133 HydrophobicContact CE2-CG1 3.55Å; I133-K135 HydrophobicContact CG2-CD 4.35Å; I133-K135 PolarHBondContact O-N 3.33Å |
| 134 | C | 94.1 | Very high | 85.1 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 116.7 | 177.7 | -66 | 0 | 0 | 0 | 0 | 111.7 | A94 G95 N97 E98 C100 C112 L116 F117 | A94-C134 PolarHBondContact O-SG 2.9Å; G95-C134 WeakPolarHBondContact O-CB 2.91Å; N97-C134 PolarHBondContact N-O 3.32Å; E98-C134 PolarHBondContact O-N 2.89Å; C100-C134 VanDerWaalsContact CB-SG 3.6Å; C112-C134 WeakPolarHBondContact CA-SG 3.12Å; C112-C134 HydrophobicContact CB-CB 3.85Å; C112-C134 WeakPolarHBondContact CB-SG 3.21Å; C112-C134 WeakPolarHBondContact SG-CA 3.42Å; C112-C134 WeakPolarHBondContact SG-CB 3.45Å; C112-C134 CovalentContact SG-SG 2.04Å; C112-C134 PolarHBondContact SG-SG 3.22Å; L116-C134 HydrophobicContact CB-CB 4.37Å; L116-C134 HydrophobicContact CD1-CB 4.14Å; F117-C134 WeakPolarHBondContact O-CA 3.43Å |
| 135 | K | 95.8 | Very high | 86.2 | Confident | 57 Ų | 57 | 57 Ų | 57 | 25% | 0.248 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 158 | 177.4 | -60.6 | -58.4 | -179.6 | -176.6 | 0 | 111 | N97 L116 F117 E119 I133 | N97-K135 PolarHBondContact OD1-NZ 2.75Å; N97-K135 VanDerWaalsContact OD1-NZ 3.15Å; L116-K135 CarbonylContact C-O 3.47Å; L116-K135 WeakPolarHBondContact CA-O 3.42Å; L116-K135 WeakPolarHBondContact CB-O 3.04Å; F117-K135 HydrophobicContact CD1-CB 4.26Å; F117-K135 WeakPolarHBondContact CD1-O 3.38Å; F117-K135 HydrophobicContact CE1-CB 3.69Å; F117-K135 HydrophobicContact CZ-CB 3.9Å; F117-K135 PolarHBondContact N-O 2.04Å; F117-K135 PolarHBondContact O-N 3.5Å; E119-K135 HydrophobicContact CB-CG 3.76Å; E119-K135 VanDerWaalsContact OE2-CE 3.31Å; E119-K135 WeakPolarHBondContact OE2-CE 3.42Å; E119-K135 WeakPolarHBondContact OE2-CG 3.46Å; I133-K135 HydrophobicContact CG2-CD 4.35Å; I133-K135 PolarHBondContact O-N 3.33Å |
| 136 | D | 96.5 | Very high | 87.4 | Confident | 46 Ų | 46 | 56.2 Ų | 56.2 | 25% | 0.246 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 141.2 | -179.7 | -61.3 | -69.3 | 0 | 0 | 0 | 112.8 | R96 L116 F117 | R96-D136 IonicContact CZ-OD1 2.89Å; R96-D136 IonicContact CZ-OD2 2.68Å; R96-D136 VanDerWaalsContact NE-CG 3.33Å; R96-D136 IonicContact NE-OD1 3.57Å; R96-D136 PolarHBondContact NE-OD1 2.82Å; R96-D136 IonicContact NE-OD2 2.65Å; R96-D136 PolarHBondContact NE-OD2 2.7Å; R96-D136 IonicContact NH1-OD2 3.11Å; R96-D136 IonicContact NH2-OD1 3.1Å; R96-D136 PolarHBondContact NH2-OD1 3.16Å; R96-D136 IonicContact NH2-OD2 2.96Å; R96-D136 PolarHBondContact NH2-OD2 3.14Å; R96-D136 VanDerWaalsContact NH2-OD2 3.11Å; L116-D136 WeakPolarHBondContact CD2-OD1 3.37Å; F117-D136 VanDerWaalsContact CE1-O 3.24Å; F117-D136 WeakPolarHBondContact CE1-O 3.32Å |
| 137 | C | 95.8 | Very high | 88.4 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -52.8 | 137.7 | 176.3 | -73.2 | 0 | 0 | 0 | 0 | 112.9 | G115 C146 R159 | G115-C137 PolarHBondContact O-N 3.41Å; G115-C137 PolarHBondContact O-SG 3.45Å; G115-C137 VanDerWaalsContact O-SG 3.35Å; C137-C146 WeakPolarHBondContact CA-SG 3.42Å; C137-C146 HydrophobicContact CB-CB 3.7Å; C137-C146 WeakPolarHBondContact CB-SG 3.35Å; C137-C146 WeakPolarHBondContact SG-CA 3.4Å; C137-C146 WeakPolarHBondContact SG-CB 3.46Å; C137-C146 CovalentContact SG-SG 2.01Å; C137-C146 PolarHBondContact SG-SG 2.97Å; C137-R159 HydrophobicContact CB-CB 4.3Å; C137-R159 HydrophobicContact CB-CG 4.36Å; C137-R159 VanDerWaalsContact O-CD 3.31Å; C137-R159 WeakPolarHBondContact O-CD 3.36Å; C137-R159 PolarHBondContact O-NE 3.5Å; C137-R159 PolarHBondContact O-NH1 2.87Å |
| 138 | P | 94.4 | Very high | 89.5 | Confident | 73 Ų | 73 | 49.7 Ų | 49.7 | 47% | 0.474 | 25% | 0.251 | S | S | . | . | P | Polyproline II helix | trans | -57.7 | 150.4 | 175.7 | 23 | -30.7 | 0 | 0 | 0 | 111.1 | G140 T141 | P138-G140 PolarHBondContact O-N 3.36Å; P138-T141 WeakPolarHBondContact CD-OG1 3.02Å; P138-T141 HydrophobicContact CG-CG2 4.42Å; P138-T141 WeakPolarHBondContact CG-OG1 3.1Å; P138-T141 PolarHBondContact O-N 2.99Å; P138-T141 VanDerWaalsContact O-N 3.08Å; P138-T141 PolarHBondContact O-OG1 3.12Å |
| 139 | Y | 91.3 | Very high | 90.7 | Very high | 138 Ų | 138 | 52.9 Ų | 52.9 | 54% | 0.541 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | 134.1 | 178.9 | -71.9 | -69.5 | 0 | 0 | 0 | 111.1 | H200 | Y139-H200 PolarHBondContact OH-O 3.41Š|
| 140 | G | 92 | Very high | 91.9 | Very high | 19 Ų | 19 | 49 Ų | 49 | 20% | 0.196 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.7 | 3.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | P138 T149 C150 G155 | P138-G140 PolarHBondContact O-N 3.36Å; G140-T149 WeakPolarHBondContact O-CA 3.1Å; G140-C150 VanDerWaalsContact CA-SG 3.55Å; G140-C150 PolarHBondContact O-N 3.11Å; G140-C150 PolarHBondContact O-SG 2.65Å; G140-G155 WeakPolarHBondContact CA-O 3.11Å |
| 141 | T | 95.1 | Very high | 92.8 | Very high | 28 Ų | 28 | 51.7 Ų | 51.7 | 17% | 0.172 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 156.7 | 174.4 | 64.9 | 0 | 0 | 0 | 0 | 112.2 | P138 K148 | P138-T141 WeakPolarHBondContact CD-OG1 3.02Å; P138-T141 HydrophobicContact CG-CG2 4.42Å; P138-T141 WeakPolarHBondContact CG-OG1 3.1Å; P138-T141 PolarHBondContact O-N 2.99Å; P138-T141 VanDerWaalsContact O-N 3.08Å; P138-T141 PolarHBondContact O-OG1 3.12Å; T141-K148 CarbonylContact C-O 3.4Å; T141-K148 WeakPolarHBondContact CA-O 3.24Å; T141-K148 WeakPolarHBondContact CB-O 3.12Å |
| 142 | Y | 95.9 | Very high | 93.1 | Very high | 54 Ų | 54 | 49.8 Ų | 49.8 | 21% | 0.212 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 170.4 | -177.6 | 76.5 | -83.6 | 0 | 0 | 0 | 112.9 | C146 K148 T149 D158 R159 G162 | Y142-C146 CarbonylContact O-C 3.56Å; Y142-K148 HydrophobicContact CD1-CB 3.66Å; Y142-K148 HydrophobicContact CD2-CB 4.13Å; Y142-K148 HydrophobicContact CD2-CD 4.08Å; Y142-K148 HydrophobicContact CE1-CB 3.36Å; Y142-K148 HydrophobicContact CE1-CD 4.34Å; Y142-K148 HydrophobicContact CE1-CG 4.48Å; Y142-K148 HydrophobicContact CE2-CB 3.87Å; Y142-K148 HydrophobicContact CE2-CD 3.39Å; Y142-K148 HydrophobicContact CE2-CG 4.27Å; Y142-K148 HydrophobicContact CG-CB 4.04Å; Y142-K148 VanDerWaalsContact CZ-CB 3.47Å; Y142-K148 PolarHBondContact N-O 3.18Å; Y142-K148 WeakPolarHBondContact O-CB 3.4Å; Y142-K148 PolarHBondContact O-N 3.36Å; Y142-T149 WeakPolarHBondContact CE1-O 3.27Å; Y142-D158 WeakPolarHBondContact CB-O 3.35Å; Y142-R159 CarbonylContact C-O 3.5Å; Y142-R159 WeakPolarHBondContact CA-O 3.42Å; Y142-R159 WeakPolarHBondContact CB-O 3.12Å; Y142-G162 VanDerWaalsContact CD2-N 3.32Å; Y142-G162 VanDerWaalsContact CG-CA 3.45Å |
| 143 | G | 93.4 | Very high | 92.9 | Very high | 8 Ų | 8 | 60.1 Ų | 60.1 | 8% | 0.082 | 31% | 0.309 | C | S | . | . | S | Bend | trans | 86.1 | -171.4 | 178 | 0 | 0 | 0 | 0 | 0 | 113.7 | G115 E145 C146 R159 | G115-G143 PolarHBondContact N-O 3.34Å; G143-E145 PolarHBondContact O-N 2.03Å; G143-C146 PolarHBondContact O-N 2.84Å; G143-R159 PolarHBondContact N-O 2.96Å |
| 144 | V | 91.1 | Very high | 92.4 | Very high | 55 Ų | 55 | 62.3 Ų | 62.3 | 33% | 0.333 | 34% | 0.336 | S | S | . | . | G | 310 helix | trans | -66.7 | 131.6 | 178.5 | 177.9 | 0 | 0 | 0 | 0 | 109.5 | V82 P114 C146 R147 | V82-V144 HydrophobicContact CG1-CG2 3.82Å; P114-V144 HydrophobicContact CB-CG2 4.4Å; P114-V144 HydrophobicContact CG-CG2 4.01Å; V144-C146 PolarHBondContact O-N 3.45Å; V144-R147 PolarHBondContact O-N 2.98Å |
| 145 | E | 89.1 | Confident | 91.8 | Very high | 39 Ų | 39 | 63.9 Ų | 63.9 | 18% | 0.182 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | 53.1 | 20 | -174.8 | -63.1 | -178.6 | -177.6 | 0 | 0 | 114.2 | K111 L116 G143 R147 | K111-E145 IonicContact NZ-OE1 3.02Å; L116-E145 PolarHBondContact O-N 3.24Å; G143-E145 PolarHBondContact O-N 2.03Å; E145-R147 HydrophobicContact CB-CG 4.07Å; E145-R147 PolarHBondContact O-N 2.83Å; E145-R147 VanDerWaalsContact O-N 3.14Å; E145-R147 IonicContact OE1-NH2 3.88Å; E145-R147 IonicContact OE2-CZ 3.38Å; E145-R147 IonicContact OE2-NE 3.19Å; E145-R147 PolarHBondContact OE2-NE 2.96Å; E145-R147 IonicContact OE2-NH2 3.16Å; E145-R147 PolarHBondContact OE2-NH2 3.22Å |
| 146 | C | 93 | Very high | 91.5 | Very high | 17 Ų | 17 | 64.4 Ų | 64.4 | 12% | 0.115 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | 57.7 | 29.5 | 176.8 | -41.2 | 0 | 0 | 0 | 0 | 114.1 | C137 Y142 G143 V144 K148 | C137-C146 WeakPolarHBondContact CA-SG 3.42Å; C137-C146 HydrophobicContact CB-CB 3.7Å; C137-C146 WeakPolarHBondContact CB-SG 3.35Å; C137-C146 WeakPolarHBondContact SG-CA 3.4Å; C137-C146 WeakPolarHBondContact SG-CB 3.46Å; C137-C146 CovalentContact SG-SG 2.01Å; C137-C146 PolarHBondContact SG-SG 2.97Å; Y142-C146 CarbonylContact O-C 3.56Å; G143-C146 PolarHBondContact O-N 2.84Å; V144-C146 PolarHBondContact O-N 3.45Å; C146-K148 PolarHBondContact O-N 2.56Å |
| 147 | R | 91.4 | Very high | 91.3 | Very high | 118 Ų | 118 | 62.5 Ų | 62.5 | 45% | 0.445 | 35% | 0.348 | S | S | . | . | trans | -71.7 | -13.3 | -174.9 | -65.9 | -178.3 | -178.5 | -171.5 | 2.3 | 113.9 | G56 V144 E145 | G56-R147 PolarHBondContact O-NH1 2.88Å; G56-R147 VanDerWaalsContact O-NH1 3.1Å; G56-R147 PolarHBondContact O-NH2 3.05Å; V144-R147 PolarHBondContact O-N 2.98Å; E145-R147 HydrophobicContact CB-CG 4.07Å; E145-R147 PolarHBondContact O-N 2.83Å; E145-R147 VanDerWaalsContact O-N 3.14Å; E145-R147 IonicContact OE1-NH2 3.88Å; E145-R147 IonicContact OE2-CZ 3.38Å; E145-R147 IonicContact OE2-NE 3.19Å; E145-R147 PolarHBondContact OE2-NE 2.96Å; E145-R147 IonicContact OE2-NH2 3.16Å; E145-R147 PolarHBondContact OE2-NH2 3.22Å | ||
| 148 | K | 94 | Very high | 91.2 | Very high | 120 Ų | 120 | 65.1 Ų | 65.1 | 52% | 0.522 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 144.8 | -178.2 | -56.3 | 179.9 | 179.2 | 179.6 | 0 | 110.8 | T141 Y142 C146 | T141-K148 CarbonylContact C-O 3.4Å; T141-K148 WeakPolarHBondContact CA-O 3.24Å; T141-K148 WeakPolarHBondContact CB-O 3.12Å; Y142-K148 HydrophobicContact CD1-CB 3.66Å; Y142-K148 HydrophobicContact CD2-CB 4.13Å; Y142-K148 HydrophobicContact CD2-CD 4.08Å; Y142-K148 HydrophobicContact CE1-CB 3.36Å; Y142-K148 HydrophobicContact CE1-CD 4.34Å; Y142-K148 HydrophobicContact CE1-CG 4.48Å; Y142-K148 HydrophobicContact CE2-CB 3.87Å; Y142-K148 HydrophobicContact CE2-CD 3.39Å; Y142-K148 HydrophobicContact CE2-CG 4.27Å; Y142-K148 HydrophobicContact CG-CB 4.04Å; Y142-K148 VanDerWaalsContact CZ-CB 3.47Å; Y142-K148 PolarHBondContact N-O 3.18Å; Y142-K148 WeakPolarHBondContact O-CB 3.4Å; Y142-K148 PolarHBondContact O-N 3.36Å; C146-K148 PolarHBondContact O-N 2.56Å |
| 149 | T | 94.8 | Very high | 91.3 | Very high | 102 Ų | 102 | 64.6 Ų | 64.6 | 63% | 0.626 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 134.9 | 178.8 | -52.3 | 0 | 0 | 0 | 0 | 110.8 | G140 Y142 S151 | G140-T149 WeakPolarHBondContact O-CA 3.1Å; Y142-T149 WeakPolarHBondContact CE1-O 3.27Å; T149-S151 PolarHBondContact O-N 2.95Å |
| 150 | C | 94.8 | Very high | 91.5 | Very high | 14 Ų | 14 | 63.3 Ų | 63.3 | 10% | 0.095 | 35% | 0.349 | C | S | . | . | trans | -60.3 | 134.8 | 175.6 | -62.5 | 0 | 0 | 0 | 0 | 111.1 | G140 G155 C157 | G140-C150 VanDerWaalsContact CA-SG 3.55Å; G140-C150 PolarHBondContact O-N 3.11Å; G140-C150 PolarHBondContact O-SG 2.65Å; C150-G155 WeakPolarHBondContact CB-O 3.37Å; C150-C157 VanDerWaalsContact CA-SG 3.59Å; C150-C157 HydrophobicContact CB-CB 3.7Å; C150-C157 WeakPolarHBondContact CB-SG 3.19Å; C150-C157 WeakPolarHBondContact SG-CB 3.17Å; C150-C157 PolarHBondContact SG-N 2.98Å; C150-C157 VanDerWaalsContact SG-N 3.36Å; C150-C157 CovalentContact SG-SG 2.02Å; C150-C157 PolarHBondContact SG-SG 2.72Å | ||
| 151 | S | 93.4 | Very high | 91.6 | Very high | 123 Ų | 123 | 66.8 Ų | 66.8 | 86% | 0.86 | 37% | 0.367 | S | S | * | . | trans | -110.8 | 25.9 | 176.6 | -62.6 | 0 | 0 | 0 | 0 | 112.9 | T149 | T149-S151 PolarHBondContact O-N 2.95Š| ||
| 152 | C | 89.8 | Confident | 91.5 | Very high | 15 Ų | 15 | 66.2 Ų | 66.2 | 10% | 0.101 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -84.8 | 150.6 | -173.9 | -62.3 | 0 | 0 | 0 | 0 | 112.7 | G154 G155 I156 C164 | C152-G154 PolarHBondContact O-N 2.89Å; C152-G155 PolarHBondContact O-N 3.3Å; C152-I156 WeakPolarHBondContact CB-O 3.34Å; C152-C164 WeakPolarHBondContact CA-SG 3.2Å; C152-C164 HydrophobicContact CB-CB 3.68Å; C152-C164 WeakPolarHBondContact CB-SG 3.1Å; C152-C164 WeakPolarHBondContact SG-CA 3.31Å; C152-C164 WeakPolarHBondContact SG-CB 3.41Å; C152-C164 CovalentContact SG-SG 2.03Å; C152-C164 PolarHBondContact SG-SG 3.01Å |
| 153 | K | 83.8 | Confident | 91.4 | Very high | 218 Ų | 218 | 66.3 Ų | 66.3 | 95% | 0.948 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | 108.1 | 170.8 | -170 | 175.8 | -178.3 | 178.1 | 0 | 108.9 | ||
| 154 | G | 80.6 | Confident | 91.3 | Very high | 64 Ų | 64 | 69.4 Ų | 69.4 | 66% | 0.66 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 101.8 | 2.8 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | C152 I156 | C152-G154 PolarHBondContact O-N 2.89Å; G154-I156 PolarHBondContact O-N 3.04Å |
| 155 | G | 82.9 | Confident | 91.1 | Very high | 34 Ų | 34 | 71 Ų | 71 | 35% | 0.351 | 40% | 0.404 | S | S | . | . | S | Bend | trans | 74.4 | -7 | 167.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | G140 C150 C152 | G140-G155 WeakPolarHBondContact CA-O 3.11Å; C150-G155 WeakPolarHBondContact CB-O 3.37Å; C152-G155 PolarHBondContact O-N 3.3Å |
| 156 | I | 87.7 | Confident | 90.4 | Very high | 67 Ų | 67 | 74.8 Ų | 74.8 | 34% | 0.344 | 43% | 0.43 | S | S | . | . | trans | -105.4 | 130.6 | -176.2 | -55 | 174.2 | 0 | 0 | 0 | 110.4 | C152 G154 L165 | C152-I156 WeakPolarHBondContact CB-O 3.34Å; G154-I156 PolarHBondContact O-N 3.04Å; I156-L165 HydrophobicContact CG2-CD1 3.8Å; I156-L165 HydrophobicContact CG2-CG 4.48Å | ||
| 157 | C | 92.9 | Very high | 89.2 | Confident | 6 Ų | 6 | 78.2 Ų | 78.2 | 4% | 0.041 | 45% | 0.447 | C | S | . | . | B | Isolated β-bridge | trans | -136.8 | 164.4 | 175.6 | 73.5 | 0 | 0 | 0 | 0 | 111.3 | C150 G162 A163 | C150-C157 VanDerWaalsContact CA-SG 3.59Å; C150-C157 HydrophobicContact CB-CB 3.7Å; C150-C157 WeakPolarHBondContact CB-SG 3.19Å; C150-C157 WeakPolarHBondContact SG-CB 3.17Å; C150-C157 PolarHBondContact SG-N 2.98Å; C150-C157 VanDerWaalsContact SG-N 3.36Å; C150-C157 CovalentContact SG-SG 2.02Å; C150-C157 PolarHBondContact SG-SG 2.72Å; C157-G162 WeakPolarHBondContact CB-O 3.39Å; C157-A163 CarbonylContact C-O 3.54Å; C157-A163 WeakPolarHBondContact CA-O 3.48Å; C157-A163 WeakPolarHBondContact CB-O 3.03Å |
| 158 | D | 94.8 | Very high | 87.6 | Confident | 56 Ų | 56 | 76.4 Ų | 76.4 | 30% | 0.299 | 45% | 0.449 | S | S | . | . | trans | -59.2 | 131.6 | 170.4 | 176.4 | -102.8 | 0 | 0 | 0 | 110.5 | Y142 E160 T161 G162 A163 L165 | Y142-D158 WeakPolarHBondContact CB-O 3.35Å; D158-E160 VanDerWaalsContact C-N 3.31Å; D158-E160 PolarHBondContact O-N 2.84Å; D158-E160 PolarHBondContact OD1-N 3.25Å; D158-T161 WeakPolarHBondContact CB-OG1 3.4Å; D158-T161 WeakPolarHBondContact OD1-CB 3Å; D158-T161 PolarHBondContact OD1-N 2.89Å; D158-T161 PolarHBondContact OD1-OG1 3.45Å; D158-G162 VanDerWaalsContact O-CA 3.26Å; D158-G162 WeakPolarHBondContact O-CA 3.03Å; D158-G162 PolarHBondContact O-N 2.02Å; D158-A163 HydrophobicContact CB-CB 4.39Å; D158-A163 PolarHBondContact N-O 3.49Å; D158-L165 HydrophobicContact CB-CD2 4.11Å | ||
| 159 | R | 95.6 | Very high | 85.6 | Confident | 62 Ų | 62 | 77.6 Ų | 77.6 | 23% | 0.234 | 45% | 0.454 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -25.2 | -170 | -62.3 | -178.3 | -168 | -160.8 | 11.4 | 112.3 | G115 C137 Y142 G143 | G115-R159 VanDerWaalsContact CA-C 3.48Å; G115-R159 WeakPolarHBondContact CA-O 3.49Å; G115-R159 PolarHBondContact N-O 2.53Å; C137-R159 HydrophobicContact CB-CB 4.3Å; C137-R159 HydrophobicContact CB-CG 4.36Å; C137-R159 VanDerWaalsContact O-CD 3.31Å; C137-R159 WeakPolarHBondContact O-CD 3.36Å; C137-R159 PolarHBondContact O-NE 3.5Å; C137-R159 PolarHBondContact O-NH1 2.87Å; Y142-R159 CarbonylContact C-O 3.5Å; Y142-R159 WeakPolarHBondContact CA-O 3.42Å; Y142-R159 WeakPolarHBondContact CB-O 3.12Å; G143-R159 PolarHBondContact N-O 2.96Å |
| 160 | E | 94.8 | Very high | 83.7 | Confident | 111 Ų | 111 | 79.7 Ų | 79.7 | 52% | 0.519 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -50.9 | 179.2 | -58.9 | -166.9 | 162.2 | 0 | 0 | 111.4 | P114 D158 | P114-E160 HydrophobicContact CB-CB 4.27Å; D158-E160 VanDerWaalsContact C-N 3.31Å; D158-E160 PolarHBondContact O-N 2.84Å; D158-E160 PolarHBondContact OD1-N 3.25Å |
| 161 | T | 94.2 | Very high | 81.9 | Confident | 92 Ų | 92 | 81.7 Ų | 81.7 | 56% | 0.564 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.7 | -23.1 | -168.4 | 63.3 | 0 | 0 | 0 | 0 | 114.1 | D158 A163 | D158-T161 WeakPolarHBondContact CB-OG1 3.4Å; D158-T161 WeakPolarHBondContact OD1-CB 3Å; D158-T161 PolarHBondContact OD1-N 2.89Å; D158-T161 PolarHBondContact OD1-OG1 3.45Å; T161-A163 PolarHBondContact O-N 2.84Å; T161-A163 WeakPolarHBondContact OG1-CB 3.07Å; T161-A163 PolarHBondContact OG1-N 3.18Å |
| 162 | G | 94 | Very high | 79.9 | Confident | 16 Ų | 16 | 83.4 Ų | 83.4 | 17% | 0.165 | 47% | 0.465 | C | S | . | . | trans | 77.7 | 5.7 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y142 C157 D158 | Y142-G162 VanDerWaalsContact CD2-N 3.32Å; Y142-G162 VanDerWaalsContact CG-CA 3.45Å; C157-G162 WeakPolarHBondContact CB-O 3.39Å; D158-G162 VanDerWaalsContact O-CA 3.26Å; D158-G162 WeakPolarHBondContact O-CA 3.03Å; D158-G162 PolarHBondContact O-N 2.02Å | ||
| 163 | A | 94.4 | Very high | 78.3 | Confident | 55 Ų | 55 | 86.9 Ų | 86.9 | 46% | 0.455 | 48% | 0.481 | S | S | . | . | trans | -65.7 | 136.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | C157 D158 T161 L165 | C157-A163 CarbonylContact C-O 3.54Å; C157-A163 WeakPolarHBondContact CA-O 3.48Å; C157-A163 WeakPolarHBondContact CB-O 3.03Å; D158-A163 HydrophobicContact CB-CB 4.39Å; D158-A163 PolarHBondContact N-O 3.49Å; T161-A163 PolarHBondContact O-N 2.84Å; T161-A163 WeakPolarHBondContact OG1-CB 3.07Å; T161-A163 PolarHBondContact OG1-N 3.18Å; A163-L165 PolarHBondContact O-N 3.45Å | ||
| 164 | C | 91.4 | Very high | 77 | Confident | 74 Ų | 74 | 79.3 Ų | 79.3 | 50% | 0.5 | 46% | 0.459 | S | S | . | . | B | Isolated β-bridge | trans | -66.6 | 124 | -179.1 | -60 | 0 | 0 | 0 | 0 | 111.3 | C152 T166 | C152-C164 WeakPolarHBondContact CA-SG 3.2Å; C152-C164 HydrophobicContact CB-CB 3.68Å; C152-C164 WeakPolarHBondContact CB-SG 3.1Å; C152-C164 WeakPolarHBondContact SG-CA 3.31Å; C152-C164 WeakPolarHBondContact SG-CB 3.41Å; C152-C164 CovalentContact SG-SG 2.03Å; C152-C164 PolarHBondContact SG-SG 3.01Å; C164-T166 PolarHBondContact O-N 3.07Å; C164-T166 VanDerWaalsContact O-N 3.1Å |
| 165 | L | 85.2 | Confident | 75.6 | Confident | 89 Ų | 89 | 80.2 Ų | 80.2 | 47% | 0.466 | 46% | 0.456 | S | S | . | . | trans | -68.7 | 114.5 | 172 | -59.3 | -174.5 | 0 | 0 | 0 | 107.3 | I156 D158 A163 L167 | I156-L165 HydrophobicContact CG2-CD1 3.8Å; I156-L165 HydrophobicContact CG2-CG 4.48Å; D158-L165 HydrophobicContact CB-CD2 4.11Å; A163-L165 PolarHBondContact O-N 3.45Å; L165-L167 PolarHBondContact O-N 2.71Å | ||
| 166 | T | 75 | Confident | 74 | Confident | 117 Ų | 117 | 87.2 Ų | 87.2 | 72% | 0.718 | 48% | 0.476 | S | S | * | . | trans | -73.6 | 100.6 | 174.8 | -51.6 | 0 | 0 | 0 | 0 | 106.7 | C164 T168 | C164-T166 PolarHBondContact O-N 3.07Å; C164-T166 VanDerWaalsContact O-N 3.1Å; T166-T168 HydrophobicContact CG2-CG2 3.7Å; T166-T168 PolarHBondContact O-N 2.76Å | ||
| 167 | L | 67.3 | Low | 72.3 | Confident | 90 Ų | 90 | 90.3 Ų | 90.3 | 47% | 0.471 | 49% | 0.493 | S | S | . | . | trans | -68.6 | 68.8 | 171.1 | -63.5 | 171.7 | 0 | 0 | 0 | 109.2 | L165 F169 F170 | L165-L167 PolarHBondContact O-N 2.71Å; L167-F169 PolarHBondContact O-N 3.1Å; L167-F170 HydrophobicContact CB-CD2 4.28Å; L167-F170 PolarHBondContact O-N 3.38Å | ||
| 168 | T | 57.7 | Low | 70 | Confident | 80 Ų | 80 | 99.1 Ų | 99.1 | 49% | 0.491 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.2 | -13.4 | 173.4 | 43.4 | 0 | 0 | 0 | 0 | 112 | T166 A171 K172 | T166-T168 HydrophobicContact CG2-CG2 3.7Å; T166-T168 PolarHBondContact O-N 2.76Å; T168-A171 PolarHBondContact O-N 3.26Å; T168-K172 PolarHBondContact O-N 3.43Å |
| 169 | F | 53.4 | Low | 67.7 | Low | 145 Ų | 145 | 102.6 Ų | 102.6 | 64% | 0.636 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -55.8 | -49.7 | 171.4 | -100.9 | -86.9 | 0 | 0 | 0 | 112.5 | L167 K172 I173 | L167-F169 PolarHBondContact O-N 3.1Å; F169-K172 PolarHBondContact O-N 3.27Å; F169-I173 WeakPolarHBondContact O-CD1 3.49Å; F169-I173 VanDerWaalsContact O-CG1 3.28Å; F169-I173 WeakPolarHBondContact O-CG1 3.5Å; F169-I173 PolarHBondContact O-N 2.02Å |
| 170 | F | 55.1 | Low | 65 | Low | 146 Ų | 146 | 102.1 Ų | 102.1 | 64% | 0.64 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -73.5 | -29.9 | 178.4 | -69 | -73.3 | 0 | 0 | 0 | 112.5 | L167 I173 A174 | L167-F170 HydrophobicContact CB-CD2 4.28Å; L167-F170 PolarHBondContact O-N 3.38Å; F170-I173 PolarHBondContact O-N 3.46Å; F170-A174 WeakPolarHBondContact O-CB 3.47Å; F170-A174 PolarHBondContact O-N 2.04Å |
| 171 | A | 56.6 | Low | 62.4 | Low | 56 Ų | 56 | 103.4 Ų | 103.4 | 46% | 0.463 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -64.4 | -40.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | T168 S175 | T168-A171 PolarHBondContact O-N 3.26Å; A171-S175 WeakPolarHBondContact O-CB 3.37Å; A171-S175 PolarHBondContact O-N 2.88Å; A171-S175 PolarHBondContact O-OG 2.9Å |
| 172 | K | 50.1 | Low | 60.2 | Low | 159 Ų | 159 | 107.9 Ų | 107.9 | 69% | 0.691 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -68.6 | -39.5 | 174.9 | -87.2 | -179.9 | 177.6 | 172.4 | 0 | 112.7 | T168 F169 S175 K176 | T168-K172 PolarHBondContact O-N 3.43Å; F169-K172 PolarHBondContact O-N 3.27Å; K172-S175 PolarHBondContact O-N 3.15Å; K172-K176 PolarHBondContact O-N 2.73Å; K172-K176 VanDerWaalsContact O-N 3.08Å |
| 173 | I | 56.8 | Low | 57.6 | Low | 87 Ų | 87 | 114.2 Ų | 114.2 | 45% | 0.446 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -70.4 | -42.3 | 179.3 | -61.4 | 164.6 | 0 | 0 | 0 | 110.8 | F169 F170 S175 K176 L177 | F169-I173 WeakPolarHBondContact O-CD1 3.49Å; F169-I173 VanDerWaalsContact O-CG1 3.28Å; F169-I173 WeakPolarHBondContact O-CG1 3.5Å; F169-I173 PolarHBondContact O-N 2.02Å; F170-I173 PolarHBondContact O-N 3.46Å; I173-S175 VanDerWaalsContact C-N 3.31Å; I173-S175 PolarHBondContact O-N 2.94Å; I173-K176 PolarHBondContact O-N 2.63Å; I173-K176 VanDerWaalsContact O-N 3.13Å; I173-L177 HydrophobicContact CG2-CD1 3.71Å; I173-L177 PolarHBondContact O-N 2.94Å |
| 174 | A | 55.9 | Low | 54.7 | Low | 60 Ų | 60 | 114.8 Ų | 114.8 | 50% | 0.496 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -63.4 | -35.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | F170 K176 L177 K178 | F170-A174 WeakPolarHBondContact O-CB 3.47Å; F170-A174 PolarHBondContact O-N 2.04Å; A174-K176 VanDerWaalsContact C-N 3.33Å; A174-L177 PolarHBondContact O-N 2.97Å; A174-K178 PolarHBondContact O-N 3.25Å; A174-K178 VanDerWaalsContact O-N 3.17Å |
| 175 | S | 51.9 | Low | 52.4 | Low | 83 Ų | 83 | 120.1 Ų | 120.1 | 58% | 0.58 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -68.3 | -32.4 | 174.1 | -54.9 | 0 | 0 | 0 | 0 | 112.3 | A171 K172 I173 | A171-S175 WeakPolarHBondContact O-CB 3.37Å; A171-S175 PolarHBondContact O-N 2.88Å; A171-S175 PolarHBondContact O-OG 2.9Å; K172-S175 PolarHBondContact O-N 3.15Å; I173-S175 VanDerWaalsContact C-N 3.31Å; I173-S175 PolarHBondContact O-N 2.94Å |
| 176 | K | 49 | Very low | 50.1 | Low | 180 Ų | 180 | 124.3 Ų | 124.3 | 78% | 0.783 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -76.1 | -32 | 174.3 | -90.4 | -80.6 | -176.1 | 177.6 | 0 | 113.2 | K172 I173 A174 | K172-K176 PolarHBondContact O-N 2.73Å; K172-K176 VanDerWaalsContact O-N 3.08Å; I173-K176 PolarHBondContact O-N 2.63Å; I173-K176 VanDerWaalsContact O-N 3.13Å; A174-K176 VanDerWaalsContact C-N 3.33Å |
| 177 | L | 51.7 | Low | 48.4 | Very low | 132 Ų | 132 | 124.4 Ų | 124.4 | 69% | 0.691 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -77.5 | -19.6 | 176.5 | -91.4 | 140.6 | 0 | 0 | 0 | 113.8 | I173 A174 T179 | I173-L177 HydrophobicContact CG2-CD1 3.71Å; I173-L177 PolarHBondContact O-N 2.94Å; A174-L177 PolarHBondContact O-N 2.97Å; L177-T179 PolarHBondContact O-N 3.02Å |
| 178 | K | 45.7 | Very low | 47.3 | Very low | 192 Ų | 192 | 125.9 Ų | 125.9 | 84% | 0.835 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | 6.2 | 177.8 | -159.7 | 153.9 | -176.3 | 175.3 | 0 | 114.5 | A174 | A174-K178 PolarHBondContact O-N 3.25Å; A174-K178 VanDerWaalsContact O-N 3.17Å |
| 179 | T | 45.6 | Very low | 46.7 | Very low | 128 Ų | 128 | 125.9 Ų | 125.9 | 79% | 0.785 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.3 | 43.4 | 179.4 | -23.7 | 0 | 0 | 0 | 0 | 112.5 | L177 | L177-T179 PolarHBondContact O-N 3.02Š|
| 180 | G | 39.6 | Very low | 46.5 | Very low | 53 Ų | 53 | 125.6 Ų | 125.6 | 55% | 0.546 | 70% | 0.696 | S | S | . | * | S | Bend | trans | -152.6 | 138.3 | 173 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 181 | P | 39.3 | Very low | 45.9 | Very low | 137 Ų | 137 | 126.7 Ų | 126.7 | 89% | 0.89 | 70% | 0.701 | S | S | * | * | trans | -67.7 | 153.6 | -175.1 | -10.6 | 26.1 | 0 | 0 | 0 | 112.2 | ||||
| 182 | Q | 49.5 | Very low | 45.5 | Very low | 187 Ų | 187 | 130.9 Ų | 130.9 | 87% | 0.874 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -50.9 | 143.4 | -178.7 | -47.7 | -167.9 | 55.5 | 0 | 0 | 113.4 | ||
| 183 | T | 37.8 | Very low | 45.4 | Very low | 149 Ų | 149 | 128 Ų | 128 | 91% | 0.914 | 71% | 0.707 | S | S | * | * | trans | 140.1 | 106.2 | 140 | -44.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 184 | G | 33.8 | Very low | 44.8 | Very low | 67 Ų | 67 | 127 Ų | 127 | 69% | 0.691 | 71% | 0.707 | S | S | * | * | trans | 159.3 | 99.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | F186 | G184-F186 PolarHBondContact O-N 2.85Å; G184-F186 VanDerWaalsContact O-N 3.12Å | ||
| 185 | E | 43.1 | Very low | 43.9 | Very low | 186 Ų | 186 | 130.1 Ų | 130.1 | 87% | 0.869 | 72% | 0.715 | S | S | * | * | trans | -53.2 | 109.7 | 169 | -168.1 | 156.1 | 139.4 | 0 | 0 | 110 | V187 | E185-V187 PolarHBondContact O-N 3.23Š| ||
| 186 | F | 36.8 | Very low | 43.7 | Very low | 176 Ų | 176 | 133.9 Ų | 133.9 | 77% | 0.772 | 72% | 0.718 | S | S | * | * | trans | -90.4 | 91.8 | 178.8 | -150.7 | -90.8 | 0 | 0 | 0 | 108.7 | G184 L188 | G184-F186 PolarHBondContact O-N 2.85Å; G184-F186 VanDerWaalsContact O-N 3.12Å; F186-L188 HydrophobicContact CD1-CD1 4.26Å; F186-L188 HydrophobicContact CE1-CD1 4.06Å; F186-L188 PolarHBondContact O-N 2.93Å | ||
| 187 | V | 40.5 | Very low | 43.7 | Very low | 120 Ų | 120 | 130.9 Ų | 130.9 | 73% | 0.727 | 71% | 0.709 | S | S | * | * | trans | -69.2 | 99.4 | 167.4 | -155.8 | 0 | 0 | 0 | 0 | 106.7 | E185 S189 | E185-V187 PolarHBondContact O-N 3.23Å; V187-S189 PolarHBondContact O-N 3.39Å | ||
| 188 | L | 44.5 | Very low | 43.4 | Very low | 121 Ų | 121 | 131 Ų | 131 | 63% | 0.634 | 71% | 0.709 | S | S | * | * | trans | -68.7 | 97.9 | 178.4 | -169.3 | 72.8 | 0 | 0 | 0 | 108 | F186 D190 | F186-L188 HydrophobicContact CD1-CD1 4.26Å; F186-L188 HydrophobicContact CE1-CD1 4.06Å; F186-L188 PolarHBondContact O-N 2.93Å; L188-D190 PolarHBondContact O-N 3.21Å | ||
| 189 | S | 45.1 | Very low | 43.3 | Very low | 79 Ų | 79 | 126.3 Ų | 126.3 | 55% | 0.552 | 70% | 0.701 | S | S | * | * | trans | -69.6 | 125.1 | -175.9 | -161.5 | 0 | 0 | 0 | 0 | 111.2 | V187 K191 L192 | V187-S189 PolarHBondContact O-N 3.39Å; S189-K191 PolarHBondContact O-N 3.02Å; S189-L192 PolarHBondContact O-N 2.94Å | ||
| 190 | D | 48.7 | Very low | 43 | Very low | 139 Ų | 139 | 129.5 Ų | 129.5 | 74% | 0.743 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51 | -10 | -179.6 | -70 | -41.5 | 0 | 0 | 0 | 115.8 | L188 | L188-D190 PolarHBondContact O-N 3.21Š|
| 191 | K | 43 | Very low | 43.1 | Very low | 169 Ų | 169 | 133.4 Ų | 133.4 | 74% | 0.735 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -76.4 | -24.2 | -178.6 | -65.4 | -168.7 | 177.5 | -173.2 | 0 | 114.4 | S189 | S189-K191 PolarHBondContact O-N 3.02Å |
| 192 | L | 46.9 | Very low | 43.3 | Very low | 144 Ų | 144 | 133.2 Ų | 133.2 | 75% | 0.754 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -80.7 | -27.1 | 180 | -92.7 | 158.5 | 0 | 0 | 0 | 113.2 | S189 | S189-L192 PolarHBondContact O-N 2.94Å |
| 193 | L | 49.3 | Very low | 43 | Very low | 100 Ų | 100 | 130.2 Ų | 130.2 | 52% | 0.524 | 70% | 0.696 | S | S | . | * | H | α-helix | trans | -71.6 | -36.7 | 172.7 | -97.5 | 139.3 | 0 | 0 | 0 | 111.8 | N195 Y196 I197 | L193-N195 PolarHBondContact O-N 3.11Å; L193-Y196 PolarHBondContact O-N 2.91Å; L193-I197 HydrophobicContact CD2-CD1 4.19Å; L193-I197 WeakPolarHBondContact O-CG1 3.45Å; L193-I197 PolarHBondContact O-N 2.9Å |
| 194 | S | 42.8 | Very low | 43.3 | Very low | 64 Ų | 64 | 129.1 Ų | 129.1 | 45% | 0.448 | 68% | 0.683 | S | S | . | * | H | α-helix | trans | -64.5 | -40.1 | -177.4 | -158.9 | 0 | 0 | 0 | 0 | 112.9 | Y196 I198 | S194-Y196 VanDerWaalsContact C-N 3.35Å; S194-Y196 PolarHBondContact O-N 2.94Å; S194-I198 VanDerWaalsContact O-CD1 3.31Å; S194-I198 WeakPolarHBondContact O-CD1 3.34Å; S194-I198 VanDerWaalsContact O-CG1 3.31Å; S194-I198 WeakPolarHBondContact O-CG1 3.33Å |
| 195 | N | 38.4 | Very low | 43.9 | Very low | 127 Ų | 127 | 132.9 Ų | 132.9 | 68% | 0.679 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -75.4 | -20 | -177.5 | -72.8 | -11.4 | 0 | 0 | 0 | 114.2 | L193 | L193-N195 PolarHBondContact O-N 3.11Å |
| 196 | Y | 46.1 | Very low | 44 | Very low | 161 Ų | 161 | 129.4 Ų | 129.4 | 63% | 0.631 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -92 | -23.2 | 179.7 | -158 | -101.9 | 0 | 0 | 0 | 112.9 | L193 S194 | L193-Y196 PolarHBondContact O-N 2.91Å; S194-Y196 VanDerWaalsContact C-N 3.35Å; S194-Y196 PolarHBondContact O-N 2.94Å |
| 197 | I | 49.6 | Very low | 44.5 | Very low | 117 Ų | 117 | 126.1 Ų | 126.1 | 60% | 0.6 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -77.5 | -22.6 | 176.7 | -65.5 | 173.2 | 0 | 0 | 0 | 111.7 | L193 | L193-I197 HydrophobicContact CD2-CD1 4.19Å; L193-I197 WeakPolarHBondContact O-CG1 3.45Å; L193-I197 PolarHBondContact O-N 2.9Å |
| 198 | I | 46.5 | Very low | 44.8 | Very low | 134 Ų | 134 | 126.5 Ų | 126.5 | 69% | 0.687 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -90.2 | -7.3 | -174.4 | -61 | 168.8 | 0 | 0 | 0 | 113.1 | S194 | S194-I198 VanDerWaalsContact O-CD1 3.31Å; S194-I198 WeakPolarHBondContact O-CD1 3.34Å; S194-I198 VanDerWaalsContact O-CG1 3.31Å; S194-I198 WeakPolarHBondContact O-CG1 3.33Å |
| 199 | S | 41.9 | Very low | 44.8 | Very low | 95 Ų | 95 | 127 Ų | 127 | 66% | 0.664 | 66% | 0.66 | S | S | * | * | trans | -106.4 | 8 | -174.1 | -113.4 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 200 | H | 39.5 | Very low | 44.8 | Very low | 195 Ų | 195 | 131.4 Ų | 131.4 | 90% | 0.903 | 67% | 0.67 | S | S | * | * | trans | -141.5 | 0 | 177.5 | -85.4 | -64 | 0 | 0 | 0 | 114.3 | Y139 | Y139-H200 PolarHBondContact OH-O 3.41Š|
Retrieved 200 of 200 residues in 30.3 ms
(Link to these results)