| 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 | 48.7 | Very low | 73.3 | Confident | 230 Ų | 230 | 117.3 Ų | 117.3 | 100% | 1.133 | 68% | 0.675 | S | S | * | * | 0 | 74.5 | 0 | -69.8 | -72.8 | 160.5 | 0 | 0 | 108.7 | |||||
| 2 | Q | 60.4 | Low | 74.4 | Confident | 200 Ų | 200 | 117.9 Ų | 117.9 | 94% | 0.935 | 67% | 0.673 | S | S | * | * | trans | -97.1 | 92.7 | 171.9 | -82 | 177.3 | -25.7 | 0 | 0 | 106.9 | S4 | Q2-S4 PolarHBondContact O-N 3.24Š| ||
| 3 | L | 62.9 | Low | 75.3 | Confident | 160 Ų | 160 | 117.8 Ų | 117.8 | 84% | 0.838 | 67% | 0.668 | S | S | * | * | trans | -65.5 | 123.7 | 168.3 | -81.5 | 106.9 | 0 | 0 | 0 | 107.8 | L5 | L3-L5 PolarHBondContact O-N 3.2Š| ||
| 4 | S | 69.4 | Low | 75.9 | Confident | 80 Ų | 80 | 115.2 Ų | 115.2 | 56% | 0.559 | 66% | 0.656 | S | S | * | * | trans | -60.4 | 129.1 | -179.4 | 45.5 | 0 | 0 | 0 | 0 | 110.2 | Q2 A6 P7 | Q2-S4 PolarHBondContact O-N 3.24Å; S4-A6 PolarHBondContact O-N 3.15Å; S4-P7 WeakPolarHBondContact O-CD 3.06Å; S4-P7 WeakPolarHBondContact O-CG 3.06Å | ||
| 5 | L | 74.4 | Confident | 76.2 | Confident | 151 Ų | 151 | 116.3 Ų | 116.3 | 79% | 0.791 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -68.5 | -16.7 | 176.8 | -82.5 | 154.9 | 0 | 0 | 0 | 113.3 | L3 C8 L9 | L3-L5 PolarHBondContact O-N 3.2Å; L5-C8 PolarHBondContact O-N 2.92Å; L5-L9 PolarHBondContact O-N 3.35Å |
| 6 | A | 76.6 | Confident | 76.4 | Confident | 73 Ų | 73 | 112.8 Ų | 112.8 | 60% | 0.603 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -60.3 | -49.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | S4 C8 L9 A10 | S4-A6 PolarHBondContact O-N 3.15Å; A6-C8 VanDerWaalsContact C-N 3.33Å; A6-C8 PolarHBondContact O-N 2.74Å; A6-L9 PolarHBondContact O-N 3.07Å; A6-A10 PolarHBondContact O-N 3.46Å; A6-A10 VanDerWaalsContact O-N 3.14Å |
| 7 | P | 79.6 | Confident | 76.5 | Confident | 69 Ų | 69 | 109.5 Ų | 109.5 | 45% | 0.448 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -61.5 | -36.3 | 177.6 | 21.2 | -35.5 | 0 | 0 | 0 | 113.6 | S4 A10 C11 | S4-P7 WeakPolarHBondContact O-CD 3.06Å; S4-P7 WeakPolarHBondContact O-CG 3.06Å; P7-A10 PolarHBondContact O-N 3.13Å; P7-C11 PolarHBondContact O-N 3.48Å; P7-C11 VanDerWaalsContact O-N 3.08Å |
| 8 | C | 82 | Confident | 76.3 | Confident | 84 Ų | 84 | 111.3 Ų | 111.3 | 57% | 0.568 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -66.2 | -41.3 | 178.3 | -73.9 | 0 | 0 | 0 | 0 | 112.2 | L5 A6 A10 C11 L12 | L5-C8 PolarHBondContact O-N 2.92Å; A6-C8 VanDerWaalsContact C-N 3.33Å; A6-C8 PolarHBondContact O-N 2.74Å; C8-A10 VanDerWaalsContact C-N 3.34Å; C8-C11 PolarHBondContact O-N 3.39Å; C8-L12 WeakPolarHBondContact O-CG 3.49Å; C8-L12 PolarHBondContact O-N 2.74Å; C8-L12 VanDerWaalsContact O-N 3.13Å |
| 9 | L | 84.6 | Confident | 76.1 | Confident | 112 Ų | 112 | 110.6 Ų | 110.6 | 59% | 0.586 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -68.9 | -35.7 | 179.9 | -147.9 | 139.2 | 0 | 0 | 0 | 111.4 | L5 A6 L12 L13 | L5-L9 PolarHBondContact O-N 3.35Å; A6-L9 PolarHBondContact O-N 3.07Å; L9-L12 PolarHBondContact O-N 2.98Å; L9-L13 HydrophobicContact CD2-CD1 4.11Å; L9-L13 WeakPolarHBondContact O-CG 3.25Å; L9-L13 PolarHBondContact O-N 2.03Å; L9-L13 VanDerWaalsContact O-N 3.16Å |
| 10 | A | 83.2 | Confident | 75.7 | Confident | 53 Ų | 53 | 107.7 Ų | 107.7 | 44% | 0.438 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -63.6 | -42.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A6 P7 C8 L12 L13 V14 | A6-A10 PolarHBondContact O-N 3.46Å; A6-A10 VanDerWaalsContact O-N 3.14Å; P7-A10 PolarHBondContact O-N 3.13Å; C8-A10 VanDerWaalsContact C-N 3.34Å; A10-L12 PolarHBondContact O-N 3.33Å; A10-L13 PolarHBondContact O-N 2.91Å; A10-V14 WeakPolarHBondContact O-CG2 3.47Å; A10-V14 PolarHBondContact O-N 2.76Å; A10-V14 VanDerWaalsContact O-N 3.1Å |
| 11 | C | 84.5 | Confident | 75.1 | Confident | 78 Ų | 78 | 107.9 Ų | 107.9 | 53% | 0.527 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -61.7 | -42 | 176.2 | -76.5 | 0 | 0 | 0 | 0 | 112.4 | P7 C8 L13 V14 H15 | P7-C11 PolarHBondContact O-N 3.48Å; P7-C11 VanDerWaalsContact O-N 3.08Å; C8-C11 PolarHBondContact O-N 3.39Å; C11-L13 PolarHBondContact O-N 2.91Å; C11-V14 PolarHBondContact O-N 2.89Å; C11-H15 PolarHBondContact O-CD2 3.35Å; C11-H15 VanDerWaalsContact O-CD2 3.27Å; C11-H15 PolarHBondContact O-N 2.89Å |
| 12 | L | 85.9 | Confident | 75.6 | Confident | 125 Ų | 125 | 104.9 Ų | 104.9 | 65% | 0.654 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -64.3 | -39.7 | 178.3 | -70.3 | 174.5 | 0 | 0 | 0 | 112.3 | C8 L9 A10 H15 A16 | C8-L12 WeakPolarHBondContact O-CG 3.49Å; C8-L12 PolarHBondContact O-N 2.74Å; C8-L12 VanDerWaalsContact O-N 3.13Å; L9-L12 PolarHBondContact O-N 2.98Å; A10-L12 PolarHBondContact O-N 3.33Å; L12-H15 PolarHBondContact O-N 3.04Å; L12-A16 WeakPolarHBondContact O-CB 3.44Å; L12-A16 PolarHBondContact O-N 2.75Å |
| 13 | L | 86.5 | Confident | 75.4 | Confident | 116 Ų | 116 | 100 Ų | 100 | 61% | 0.607 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -65.6 | -38.9 | 176.3 | -71.5 | 173.2 | 0 | 0 | 0 | 112.4 | L9 A10 C11 A16 A17 | L9-L13 HydrophobicContact CD2-CD1 4.11Å; L9-L13 WeakPolarHBondContact O-CG 3.25Å; L9-L13 PolarHBondContact O-N 2.03Å; L9-L13 VanDerWaalsContact O-N 3.16Å; A10-L13 PolarHBondContact O-N 2.91Å; C11-L13 PolarHBondContact O-N 2.91Å; L13-A16 PolarHBondContact O-N 2.87Å; L13-A17 WeakPolarHBondContact O-CB 3.34Å; L13-A17 PolarHBondContact O-N 3.41Å |
| 14 | V | 83.4 | Confident | 75 | Confident | 82 Ų | 82 | 99.7 Ų | 99.7 | 50% | 0.497 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -65.2 | -44 | 175.8 | 174 | 0 | 0 | 0 | 0 | 110.8 | A10 C11 A16 A17 F18 | A10-V14 WeakPolarHBondContact O-CG2 3.47Å; A10-V14 PolarHBondContact O-N 2.76Å; A10-V14 VanDerWaalsContact O-N 3.1Å; C11-V14 PolarHBondContact O-N 2.89Å; V14-A16 PolarHBondContact O-N 2.84Å; V14-A17 PolarHBondContact O-N 2.8Å; V14-F18 HydrophobicContact CG1-CD2 3.89Å; V14-F18 HydrophobicContact CG1-CE2 4.01Å; V14-F18 WeakPolarHBondContact O-CD2 3.39Å; V14-F18 PolarHBondContact O-N 3.25Å |
| 15 | H | 81 | Confident | 74.2 | Confident | 132 Ų | 132 | 98.9 Ų | 98.9 | 61% | 0.611 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -63.2 | -41.9 | 176.3 | -84.1 | -72.9 | 0 | 0 | 0 | 112.5 | C11 L12 A17 F18 V19 | C11-H15 PolarHBondContact O-CD2 3.35Å; C11-H15 VanDerWaalsContact O-CD2 3.27Å; C11-H15 PolarHBondContact O-N 2.89Å; L12-H15 PolarHBondContact O-N 3.04Å; H15-A17 VanDerWaalsContact C-N 3.32Å; H15-A17 PolarHBondContact O-N 2.89Å; H15-F18 PolarHBondContact O-N 2.83Å; H15-V19 WeakPolarHBondContact O-CG2 3.09Å; H15-V19 PolarHBondContact O-N 3.25Å |
| 16 | A | 79.3 | Confident | 73.4 | Confident | 60 Ų | 60 | 103.9 Ų | 103.9 | 50% | 0.496 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -62.7 | -38.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L12 L13 V14 A20 | L12-A16 WeakPolarHBondContact O-CB 3.44Å; L12-A16 PolarHBondContact O-N 2.75Å; L13-A16 PolarHBondContact O-N 2.87Å; V14-A16 PolarHBondContact O-N 2.84Å; A16-A20 WeakPolarHBondContact O-CB 3.25Å; A16-A20 PolarHBondContact O-N 2.81Å |
| 17 | A | 77.7 | Confident | 72.5 | Confident | 56 Ų | 56 | 108.8 Ų | 108.8 | 46% | 0.463 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -67.4 | -38.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L13 V14 H15 V21 | L13-A17 WeakPolarHBondContact O-CB 3.34Å; L13-A17 PolarHBondContact O-N 3.41Å; V14-A17 PolarHBondContact O-N 2.8Å; H15-A17 VanDerWaalsContact C-N 3.32Å; H15-A17 PolarHBondContact O-N 2.89Å; A17-V21 WeakPolarHBondContact O-CG2 3.41Å; A17-V21 PolarHBondContact O-N 2.83Å |
| 18 | F | 73.1 | Confident | 71.4 | Confident | 142 Ų | 142 | 110 Ų | 110 | 62% | 0.623 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -67.4 | -42.4 | 176.7 | -94 | -86.8 | 0 | 0 | 0 | 112.3 | V14 H15 A20 V21 E22 | V14-F18 HydrophobicContact CG1-CD2 3.89Å; V14-F18 HydrophobicContact CG1-CE2 4.01Å; V14-F18 WeakPolarHBondContact O-CD2 3.39Å; V14-F18 PolarHBondContact O-N 3.25Å; H15-F18 PolarHBondContact O-N 2.83Å; F18-A20 VanDerWaalsContact C-N 3.35Å; F18-A20 PolarHBondContact O-N 2.75Å; F18-V21 PolarHBondContact O-N 2.86Å; F18-E22 PolarHBondContact O-N 2.79Å; F18-E22 VanDerWaalsContact O-N 3.15Å |
| 19 | V | 72.7 | Confident | 70.1 | Confident | 99 Ų | 99 | 114.9 Ų | 114.9 | 60% | 0.6 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -66.9 | -36 | 177.8 | 175.7 | 0 | 0 | 0 | 0 | 111.7 | H15 S23 | H15-V19 WeakPolarHBondContact O-CG2 3.09Å; H15-V19 PolarHBondContact O-N 3.25Å; V19-S23 PolarHBondContact O-N 3.38Å |
| 20 | A | 67.1 | Low | 68.6 | Low | 51 Ų | 51 | 118.2 Ų | 118.2 | 42% | 0.421 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -63.4 | -40.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A16 F18 S23 | A16-A20 WeakPolarHBondContact O-CB 3.25Å; A16-A20 PolarHBondContact O-N 2.81Å; F18-A20 VanDerWaalsContact C-N 3.35Å; F18-A20 PolarHBondContact O-N 2.75Å; A20-S23 PolarHBondContact O-N 3.29Å; A20-S23 PolarHBondContact O-OG 3.36Å |
| 21 | V | 63.6 | Low | 67.7 | Low | 112 Ų | 112 | 122.2 Ų | 122.2 | 68% | 0.679 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -71.3 | -35.8 | -179.6 | 171.5 | 0 | 0 | 0 | 0 | 112.3 | A17 F18 S23 Q24 | A17-V21 WeakPolarHBondContact O-CG2 3.41Å; A17-V21 PolarHBondContact O-N 2.83Å; F18-V21 PolarHBondContact O-N 2.86Å; V21-S23 VanDerWaalsContact C-N 3.29Å; V21-S23 PolarHBondContact O-N 3.47Å; V21-Q24 PolarHBondContact O-N 3.02Å |
| 22 | E | 60.2 | Low | 66.5 | Low | 168 Ų | 168 | 125 Ų | 125 | 79% | 0.785 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -70.8 | -24 | 176.9 | -107.8 | 170.9 | 170.1 | 0 | 0 | 113.4 | F18 Q24 | F18-E22 PolarHBondContact O-N 2.79Å; F18-E22 VanDerWaalsContact O-N 3.15Å; E22-Q24 VanDerWaalsContact C-N 3.29Å; E22-Q24 PolarHBondContact O-N 2.76Å |
| 23 | S | 56.2 | Low | 64.9 | Low | 96 Ų | 96 | 123.9 Ų | 123.9 | 67% | 0.671 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | -12.4 | 177.3 | 73.5 | 0 | 0 | 0 | 0 | 114.3 | V19 A20 V21 G25 | V19-S23 PolarHBondContact O-N 3.38Å; A20-S23 PolarHBondContact O-N 3.29Å; A20-S23 PolarHBondContact O-OG 3.36Å; V21-S23 VanDerWaalsContact C-N 3.29Å; V21-S23 PolarHBondContact O-N 3.47Å; S23-G25 PolarHBondContact O-N 3.43Å |
| 24 | Q | 54.9 | Low | 63.6 | Low | 155 Ų | 155 | 124.2 Ų | 124.2 | 72% | 0.724 | 69% | 0.688 | S | S | * | * | trans | -100.9 | 68.4 | 179.4 | -117.7 | 149.9 | -3 | 0 | 0 | 110.7 | V21 E22 W26 | V21-Q24 PolarHBondContact O-N 3.02Å; E22-Q24 VanDerWaalsContact C-N 3.29Å; E22-Q24 PolarHBondContact O-N 2.76Å; Q24-W26 PolarHBondContact O-N 2.91Å | ||
| 25 | G | 52.6 | Low | 62.5 | Low | 63 Ų | 63 | 128.9 Ų | 128.9 | 65% | 0.649 | 71% | 0.705 | S | S | * | * | trans | -53.6 | 132.7 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111 | S23 Q27 | S23-G25 PolarHBondContact O-N 3.43Å; G25-Q27 PolarHBondContact O-N 2.8Å; G25-Q27 VanDerWaalsContact O-N 3.11Å | ||
| 26 | W | 56.3 | Low | 61.5 | Low | 256 Ų | 256 | 129.8 Ų | 129.8 | 97% | 0.97 | 71% | 0.713 | S | S | * | * | trans | -64.8 | 113.3 | -176.5 | -64.7 | 5.1 | 0 | 0 | 0 | 109.9 | Q24 A28 | Q24-W26 PolarHBondContact O-N 2.91Å; W26-A28 PolarHBondContact O-N 3.43Å | ||
| 27 | Q | 58.2 | Low | 60.5 | Low | 175 Ų | 175 | 133.8 Ų | 133.8 | 82% | 0.818 | 72% | 0.724 | S | S | * | * | trans | -61.3 | 125.7 | 171.9 | -78.2 | -92.8 | -26.7 | 0 | 0 | 109.1 | G25 F29 | G25-Q27 PolarHBondContact O-N 2.8Å; G25-Q27 VanDerWaalsContact O-N 3.11Å; Q27-F29 PolarHBondContact O-N 2.81Å | ||
| 28 | A | 56 | Low | 59.5 | Low | 94 Ų | 94 | 136.4 Ų | 136.4 | 78% | 0.777 | 74% | 0.736 | S | S | * | * | trans | -65.8 | 113.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | W26 K30 | W26-A28 PolarHBondContact O-N 3.43Å; A28-K30 PolarHBondContact O-N 2.8Å | ||
| 29 | F | 56.2 | Low | 58.5 | Low | 187 Ų | 187 | 133.1 Ų | 133.1 | 82% | 0.82 | 74% | 0.742 | S | S | * | * | trans | -72 | 114.7 | 170.4 | -95.9 | -93.9 | 0 | 0 | 0 | 109.5 | Q27 | Q27-F29 PolarHBondContact O-N 2.81Š| ||
| 30 | K | 52.1 | Low | 57.3 | Low | 182 Ų | 182 | 136.5 Ų | 136.5 | 79% | 0.791 | 76% | 0.756 | S | S | * | * | trans | -93.2 | 115 | 163.3 | -80.2 | -178.2 | 175.1 | -177.7 | 0 | 107.9 | A28 | A28-K30 PolarHBondContact O-N 2.8Š| ||
| 31 | N | 64 | Low | 56.4 | Low | 138 Ų | 138 | 144.6 Ų | 144.6 | 74% | 0.738 | 78% | 0.776 | S | S | * | * | trans | -99 | 95 | 171.3 | -61.1 | -17.3 | 0 | 0 | 0 | 107 | A33 | N31-A33 PolarHBondContact O-N 3.28Š| ||
| 32 | D | 58.8 | Low | 55.7 | Low | 135 Ų | 135 | 148.4 Ų | 148.4 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | trans | -76.6 | 112.7 | 168.3 | -68 | -24.8 | 0 | 0 | 0 | 107.1 | T34 | D32-T34 PolarHBondContact O-N 2.86Š| ||
| 33 | A | 52.4 | Low | 55.5 | Low | 102 Ų | 102 | 150.2 Ų | 150.2 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | trans | -67.4 | 101.5 | 177 | 0 | 0 | 0 | 0 | 0 | 109 | N31 | N31-A33 PolarHBondContact O-N 3.28Š| ||
| 34 | T | 60.4 | Low | 55.3 | Low | 123 Ų | 123 | 151.5 Ų | 151.5 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | trans | -88.1 | 107.1 | 172.8 | 37.1 | 0 | 0 | 0 | 0 | 109.8 | D32 I36 | D32-T34 PolarHBondContact O-N 2.86Å; T34-I36 PolarHBondContact O-N 2.77Å | ||
| 35 | E | 59.8 | Low | 55 | Low | 180 Ų | 180 | 152.1 Ų | 152.1 | 84% | 0.841 | 80% | 0.796 | S | S | * | * | trans | -74.6 | 116.9 | 165 | -65.7 | -173 | 176.3 | 0 | 0 | 109 | I37 | E35-I37 PolarHBondContact O-N 3.1Š| ||
| 36 | I | 60.2 | Low | 55.1 | Low | 152 Ų | 152 | 154.1 Ų | 154.1 | 78% | 0.779 | 80% | 0.798 | S | S | * | * | trans | -87.3 | 101.4 | 173.7 | -56.8 | 172.5 | 0 | 0 | 0 | 107.3 | T34 P38 | T34-I36 PolarHBondContact O-N 2.77Å; I36-P38 WeakPolarHBondContact O-CD 3.49Å | ||
| 37 | I | 57.1 | Low | 54.8 | Low | 144 Ų | 144 | 148.2 Ų | 148.2 | 74% | 0.738 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -82 | 117.1 | 169.5 | -60.7 | 165.4 | 0 | 0 | 0 | 107.5 | E35 G39 | E35-I37 PolarHBondContact O-N 3.1Å; I37-G39 PolarHBondContact O-N 2.75Å |
| 38 | P | 57.9 | Low | 54.2 | Low | 110 Ų | 110 | 148.3 Ų | 148.3 | 71% | 0.714 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 118.5 | 177.1 | -9.1 | 24.5 | 0 | 0 | 0 | 109 | I36 L40 | I36-P38 WeakPolarHBondContact O-CD 3.49Å; P38-L40 PolarHBondContact O-N 3.04Å |
| 39 | G | 51.4 | Low | 53.8 | Low | 73 Ų | 73 | 153.2 Ų | 153.2 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 120.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | I37 R41 | I37-G39 PolarHBondContact O-N 2.75Å; G39-R41 PolarHBondContact O-N 2.94Å |
| 40 | L | 48 | Very low | 53.5 | Low | 171 Ų | 171 | 152.1 Ų | 152.1 | 90% | 0.895 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 120.7 | 176.2 | -128.8 | 91.9 | 0 | 0 | 0 | 108.7 | P38 E42 | P38-L40 PolarHBondContact O-N 3.04Å; L40-E42 PolarHBondContact O-N 3.35Å |
| 41 | R | 48.3 | Very low | 53.1 | Low | 221 Ų | 221 | 151.8 Ų | 151.8 | 83% | 0.834 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 123.5 | 177.1 | -147.3 | 177.9 | -171.3 | -169.4 | 1.6 | 108.6 | G39 Y43 | G39-R41 PolarHBondContact O-N 2.94Å; R41-Y43 WeakPolarHBondContact O-CD2 3.4Å; R41-Y43 PolarHBondContact O-N 3.28Å |
| 42 | E | 49.4 | Very low | 52.5 | Low | 191 Ų | 191 | 151.6 Ų | 151.6 | 89% | 0.893 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 118.2 | 174.9 | -148.7 | 153.2 | -158.3 | 0 | 0 | 109.1 | L40 | L40-E42 PolarHBondContact O-N 3.35Š|
| 43 | Y | 54.5 | Low | 52.6 | Low | 207 Ų | 207 | 151 Ų | 151 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 138.4 | 174.3 | -80.7 | -91.2 | 0 | 0 | 0 | 109.2 | R41 | R41-Y43 WeakPolarHBondContact O-CD2 3.4Å; R41-Y43 PolarHBondContact O-N 3.28Å |
| 44 | P | 51.9 | Low | 52.7 | Low | 122 Ų | 122 | 155.5 Ų | 155.5 | 79% | 0.792 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 135.1 | 178 | -7.7 | 23.9 | 0 | 0 | 0 | 111 | ||
| 45 | E | 49.7 | Very low | 52.8 | Low | 169 Ų | 169 | 154.9 Ų | 154.9 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -68 | 133 | 180 | -150.8 | -168.6 | 169.4 | 0 | 0 | 112 | ||
| 46 | P | 54.3 | Low | 53 | Low | 105 Ų | 105 | 155.3 Ų | 155.3 | 68% | 0.682 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 149 | 168.4 | 32.7 | -29.5 | 0 | 0 | 0 | 111.7 | ||
| 47 | P | 50.7 | Low | 53.2 | Low | 131 Ų | 131 | 155 Ų | 155 | 85% | 0.851 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 151.6 | -175.2 | -11.6 | 27.6 | 0 | 0 | 0 | 113.7 | ||
| 48 | Q | 45.2 | Very low | 53.8 | Low | 177 Ų | 177 | 159.6 Ų | 159.6 | 83% | 0.827 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 135.7 | -170.6 | -61.1 | 173.8 | -29.9 | 0 | 0 | 114.1 | ||
| 49 | E | 48.3 | Very low | 54.1 | Low | 197 Ų | 197 | 158.3 Ų | 158.3 | 92% | 0.921 | 81% | 0.81 | S | S | * | * | trans | -126.9 | 111.7 | 160.5 | -75 | -166 | 148.9 | 0 | 0 | 111.8 | ||||
| 50 | L | 48.2 | Very low | 54.6 | Low | 164 Ų | 164 | 164 Ų | 164 | 86% | 0.859 | 82% | 0.816 | S | S | * | * | trans | 16.2 | 118.3 | 151.5 | -133 | 80.4 | 0 | 0 | 0 | 121.8 | ||||
| 51 | E | 45 | Very low | 55.3 | Low | 176 Ų | 176 | 163.3 Ų | 163.3 | 82% | 0.822 | 81% | 0.814 | S | S | * | * | trans | 32.6 | 113 | 140.5 | -109.5 | -174.9 | 141.1 | 0 | 0 | 121 | ||||
| 52 | N | 51.9 | Low | 55.8 | Low | 134 Ų | 134 | 156.5 Ų | 156.5 | 72% | 0.717 | 81% | 0.812 | S | S | * | * | -171.9 | 126.9 | 120.9 | -124.5 | -9.1 | 0 | 0 | 0 | 113.8 | |||||
| 53 | N | 59.4 | Low | 56.2 | Low | 121 Ų | 121 | 150.9 Ų | 150.9 | 65% | 0.647 | 81% | 0.805 | S | S | * | * | trans | 69.8 | 103.5 | 140.3 | -56.8 | -21.8 | 0 | 0 | 0 | 122.2 | ||||
| 54 | Q | 54.9 | Low | 56.5 | Low | 197 Ų | 197 | 151.2 Ų | 151.2 | 92% | 0.921 | 81% | 0.805 | S | S | * | * | trans | 32.9 | 91.2 | 136.2 | -62.1 | -178 | 15.9 | 0 | 0 | 117 | ||||
| 55 | T | 62.5 | Low | 57.1 | Low | 110 Ų | 110 | 150.2 Ų | 150.2 | 68% | 0.675 | 80% | 0.798 | S | S | * | * | trans | -114.2 | 116.1 | 162.3 | 151.7 | 0 | 0 | 0 | 0 | 109.2 | N57 | T55-N57 PolarHBondContact O-N 3.29Å; T55-N57 PolarHBondContact OG1-OD1 3.09Å; T55-N57 VanDerWaalsContact OG1-OD1 3.05Å | ||
| 56 | M | 63.3 | Low | 57.6 | Low | 190 Ų | 190 | 146.9 Ų | 146.9 | 94% | 0.936 | 79% | 0.791 | S | S | * | * | trans | -74.3 | 104.3 | 171.9 | -81.4 | -117.9 | -69.1 | 0 | 0 | 109.6 | R58 | M56-R58 PolarHBondContact O-N 2.92Š| ||
| 57 | N | 64.3 | Low | 57.5 | Low | 145 Ų | 145 | 149 Ų | 149 | 78% | 0.775 | 79% | 0.792 | S | S | * | * | trans | -80.6 | 105.5 | 174.9 | -56 | -25 | 0 | 0 | 0 | 108.8 | T55 | T55-N57 PolarHBondContact O-N 3.29Å; T55-N57 PolarHBondContact OG1-OD1 3.09Å; T55-N57 VanDerWaalsContact OG1-OD1 3.05Å | ||
| 58 | R | 71.4 | Confident | 57.8 | Low | 240 Ų | 240 | 149.9 Ų | 149.9 | 91% | 0.906 | 79% | 0.785 | S | S | * | * | trans | -86.6 | 118.7 | 171.3 | -171.4 | 176.3 | -179.3 | 115.4 | -1.6 | 108.9 | M56 E60 | M56-R58 PolarHBondContact O-N 2.92Å; R58-E60 PolarHBondContact O-N 3Å | ||
| 59 | A | 63.9 | Low | 58.2 | Low | 84 Ų | 84 | 146 Ų | 146 | 69% | 0.694 | 78% | 0.775 | S | S | * | * | trans | -65.8 | 124.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110 | N61 | A59-N61 PolarHBondContact O-N 2.65Š| ||
| 60 | E | 61 | Low | 58.2 | Low | 192 Ų | 192 | 146.7 Ų | 146.7 | 90% | 0.897 | 77% | 0.77 | S | S | * | * | trans | -81.3 | 114.5 | 172.4 | -157.9 | 175.2 | -164.3 | 0 | 0 | 108.2 | R58 G62 | R58-E60 PolarHBondContact O-N 3Å; E60-G62 PolarHBondContact O-N 3.45Å | ||
| 61 | N | 63.3 | Low | 58.3 | Low | 157 Ų | 157 | 145 Ų | 145 | 84% | 0.84 | 76% | 0.762 | S | S | * | * | trans | -69.1 | 100.2 | 174.4 | -80.6 | -2.3 | 0 | 0 | 0 | 108.7 | A59 G63 | A59-N61 PolarHBondContact O-N 2.65Å; N61-G63 PolarHBondContact O-N 2.83Å | ||
| 62 | G | 59.3 | Low | 58.7 | Low | 77 Ų | 77 | 142.2 Ų | 142.2 | 79% | 0.794 | 76% | 0.757 | S | S | * | * | trans | -63.4 | 96 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | E60 R64 | E60-G62 PolarHBondContact O-N 3.45Å; G62-R64 PolarHBondContact O-N 3.45Å | ||
| 63 | G | 56.5 | Low | 58.7 | Low | 73 Ų | 73 | 143.5 Ų | 143.5 | 75% | 0.753 | 76% | 0.757 | S | S | * | * | trans | -64.4 | 101.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | N61 P65 | N61-G63 PolarHBondContact O-N 2.83Å; G63-P65 WeakPolarHBondContact O-CD 3.45Å | ||
| 64 | R | 61.5 | Low | 58.2 | Low | 214 Ų | 214 | 145.4 Ų | 145.4 | 81% | 0.808 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 119.2 | 171.9 | -164.7 | 179.4 | -151.2 | -171.5 | 5.9 | 108 | G62 | G62-R64 PolarHBondContact O-N 3.45Š|
| 65 | P | 64.9 | Low | 58.2 | Low | 101 Ų | 101 | 139.1 Ų | 139.1 | 66% | 0.656 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 149.2 | 173.5 | 24.7 | -30.4 | 0 | 0 | 0 | 109.2 | G63 H67 | G63-P65 WeakPolarHBondContact O-CD 3.45Å; P65-H67 PolarHBondContact O-N 2.86Å |
| 66 | P | 60.7 | Low | 58.2 | Low | 99 Ų | 99 | 137.3 Ų | 137.3 | 64% | 0.643 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 118.7 | -178.2 | 22.4 | -31.1 | 0 | 0 | 0 | 109.1 | H68 | P66-H68 VanDerWaalsContact C-N 3.29Å; P66-H68 PolarHBondContact O-N 3.43Å |
| 67 | H | 52.1 | Low | 58.2 | Low | 151 Ų | 151 | 135.1 Ų | 135.1 | 70% | 0.699 | 72% | 0.721 | S | S | * | * | trans | -70.2 | 91.4 | 173.8 | -165.8 | -73.8 | 0 | 0 | 0 | 106.9 | P65 P69 | P65-H67 PolarHBondContact O-N 2.86Å; H67-P69 WeakPolarHBondContact O-CD 3.35Å | ||
| 68 | H | 56.8 | Low | 58.7 | Low | 149 Ų | 149 | 135.6 Ų | 135.6 | 69% | 0.69 | 71% | 0.713 | S | S | * | * | trans | -66.5 | 111.4 | 166.4 | -71.7 | -63.2 | 0 | 0 | 0 | 106.8 | P66 Y70 | P66-H68 VanDerWaalsContact C-N 3.29Å; P66-H68 PolarHBondContact O-N 3.43Å; H68-Y70 PolarHBondContact O-N 2.92Å | ||
| 69 | P | 52.3 | Low | 59.1 | Low | 96 Ų | 96 | 125.5 Ų | 125.5 | 62% | 0.623 | 68% | 0.679 | S | S | * | * | trans | -65 | 107.9 | 169.9 | 5.3 | 10 | 0 | 0 | 0 | 105.1 | H67 D71 | H67-P69 WeakPolarHBondContact O-CD 3.35Å; P69-D71 PolarHBondContact O-N 2.88Å | ||
| 70 | Y | 48.5 | Very low | 60.2 | Low | 210 Ų | 210 | 122.9 Ų | 122.9 | 82% | 0.824 | 66% | 0.655 | S | S | * | * | trans | -63 | 98.6 | 154.4 | -113.6 | -92.2 | 0 | 0 | 0 | 104.1 | H68 T72 | H68-Y70 PolarHBondContact O-N 2.92Å; Y70-T72 PolarHBondContact O-N 3.39Å | ||
| 71 | D | 50.5 | Low | 61.6 | Low | 129 Ų | 129 | 118.4 Ų | 118.4 | 69% | 0.69 | 63% | 0.63 | S | S | * | * | trans | -61.7 | 84.5 | 162.4 | -93.8 | -15 | 0 | 0 | 0 | 105.8 | P69 K73 | P69-D71 PolarHBondContact O-N 2.88Å; D71-K73 HydrophobicContact CB-CG 4.47Å; D71-K73 PolarHBondContact O-N 2.02Å | ||
| 72 | T | 53.1 | Low | 63 | Low | 117 Ų | 117 | 114.8 Ų | 114.8 | 72% | 0.718 | 61% | 0.608 | S | S | * | * | trans | -63.8 | 70.4 | 148.5 | 34.4 | 0 | 0 | 0 | 0 | 105.9 | Y70 D74 | Y70-T72 PolarHBondContact O-N 3.39Å; T72-D74 PolarHBondContact O-N 2.8Å | ||
| 73 | K | 53.1 | Low | 64.5 | Low | 162 Ų | 162 | 115.6 Ų | 115.6 | 70% | 0.704 | 59% | 0.594 | S | S | * | * | trans | -50.7 | 115.2 | 156.3 | -87.1 | -179.3 | 178.4 | 176.2 | 0 | 103.9 | D71 V75 | D71-K73 HydrophobicContact CB-CG 4.47Å; D71-K73 PolarHBondContact O-N 2.02Å; K73-V75 WeakPolarHBondContact O-CG2 3.36Å; K73-V75 PolarHBondContact O-N 2.74Å | ||
| 74 | D | 49.6 | Very low | 66.3 | Low | 161 Ų | 161 | 118.1 Ų | 118.1 | 86% | 0.861 | 59% | 0.586 | S | S | * | * | trans | -49.3 | 88.5 | -177.8 | -65.7 | -59.3 | 0 | 0 | 0 | 110 | T72 S76 | T72-D74 PolarHBondContact O-N 2.8Å; D74-S76 PolarHBondContact O-N 3.42Å | ||
| 75 | V | 54.7 | Low | 67.7 | Low | 64 Ų | 64 | 114.5 Ų | 114.5 | 39% | 0.388 | 57% | 0.573 | S | S | . | * | trans | -86 | 87 | -177.8 | -158.3 | 0 | 0 | 0 | 0 | 105.1 | K73 E77 R81 | K73-V75 WeakPolarHBondContact O-CG2 3.36Å; K73-V75 PolarHBondContact O-N 2.74Å; V75-E77 PolarHBondContact O-N 2.91Å; V75-E77 VanDerWaalsContact O-N 3.11Å; V75-R81 HydrophobicContact CG1-CG 3.97Å; V75-R81 PolarHBondContact O-NH2 2.03Å | ||
| 76 | S | 60.8 | Low | 69.2 | Low | 72 Ų | 72 | 113.9 Ų | 113.9 | 50% | 0.503 | 57% | 0.568 | S | S | . | * | trans | -29.4 | 120.1 | 168.5 | 51.7 | 0 | 0 | 0 | 0 | 109.7 | D74 Y78 S79 | D74-S76 PolarHBondContact O-N 3.42Å; S76-Y78 PolarHBondContact O-N 3.46Å; S76-S79 PolarHBondContact O-N 3.07Å; S76-S79 PolarHBondContact O-OG 2.91Å; S76-S79 WeakPolarHBondContact OG-CB 3.32Å; S76-S79 PolarHBondContact OG-OG 2.79Å | ||
| 77 | E | 64.8 | Low | 70.8 | Confident | 145 Ų | 145 | 114.6 Ų | 114.6 | 68% | 0.678 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.6 | -29.3 | -175.5 | -65.8 | 179.6 | 164.8 | 0 | 0 | 110.9 | V75 Q108 | V75-E77 PolarHBondContact O-N 2.91Å; V75-E77 VanDerWaalsContact O-N 3.11Å; E77-Q108 WeakPolarHBondContact O-CB 2.97Å |
| 78 | Y | 73.4 | Confident | 72.8 | Confident | 155 Ų | 155 | 111.3 Ų | 111.3 | 61% | 0.608 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.7 | 55.9 | 178.5 | -59.6 | -81.5 | 0 | 0 | 0 | 113.9 | S76 Q108 | S76-Y78 PolarHBondContact O-N 3.46Å; Y78-Q108 CarbonylContact C-O 3.58Å; Y78-Q108 VanDerWaalsContact CA-O 3.32Å; Y78-Q108 WeakPolarHBondContact CA-O 3.26Å; Y78-Q108 HydrophobicContact CD1-CB 4.45Å |
| 79 | S | 79.8 | Confident | 74.6 | Confident | 28 Ų | 28 | 104.6 Ų | 104.6 | 20% | 0.196 | 51% | 0.511 | C | S | . | . | trans | -131.5 | 144.5 | 168.6 | 58.5 | 0 | 0 | 0 | 0 | 112.6 | S76 R81 G107 Q108 | S76-S79 PolarHBondContact O-N 3.07Å; S76-S79 PolarHBondContact O-OG 2.91Å; S76-S79 WeakPolarHBondContact OG-CB 3.32Å; S76-S79 PolarHBondContact OG-OG 2.79Å; S79-R81 PolarHBondContact O-N 2.04Å; S79-G107 WeakPolarHBondContact O-CA 3.39Å; S79-Q108 CarbonylContact C-O 3.58Å; S79-Q108 PolarHBondContact N-O 3.11Å; S79-Q108 PolarHBondContact O-N 2.98Å | ||
| 80 | C | 88.1 | Confident | 76.6 | Confident | 28 Ų | 28 | 104.1 Ų | 104.1 | 19% | 0.189 | 51% | 0.507 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 107.9 | 171.2 | -179.2 | 0 | 0 | 0 | 0 | 108.5 | C134 C165 C167 | C80-C134 VanDerWaalsContact CA-SG 3.57Å; C80-C134 HydrophobicContact CB-CB 3.75Å; C80-C134 WeakPolarHBondContact CB-SG 3.5Å; C80-C134 VanDerWaalsContact SG-CA 3.54Å; C80-C134 WeakPolarHBondContact SG-CB 3.42Å; C80-C134 CovalentContact SG-SG 2.03Å; C80-C134 PolarHBondContact SG-SG 2.85Å; C80-C165 VanDerWaalsContact SG-CB 3.58Å; C80-C167 VanDerWaalsContact CB-SG 3.54Å |
| 81 | R | 89.3 | Confident | 78.7 | Confident | 98 Ų | 98 | 97.3 Ų | 97.3 | 37% | 0.37 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 147 | -176.4 | -53.7 | 179.1 | -164.7 | -162.1 | -4.2 | 111 | V75 S79 S106 | V75-R81 HydrophobicContact CG1-CG 3.97Å; V75-R81 PolarHBondContact O-NH2 2.03Å; S79-R81 PolarHBondContact O-N 2.04Å; R81-S106 WeakPolarHBondContact CA-O 3.29Å; R81-S106 WeakPolarHBondContact CB-O 3.47Å; R81-S106 PolarHBondContact N-O 3.17Å; R81-S106 PolarHBondContact O-N 3.27Å; R81-S106 VanDerWaalsContact O-N 3.07Å; R81-S106 VanDerWaalsContact O-O 3.08Å |
| 82 | E | 92.5 | Very high | 80.6 | Confident | 82 Ų | 82 | 94.6 Ų | 94.6 | 38% | 0.383 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 101.6 | 176 | -62.2 | -171.6 | 163 | 0 | 0 | 109.5 | H84 L103 S164 C165 | E82-H84 PolarHBondContact O-ND1 3.27Å; E82-L103 HydrophobicContact CB-CD1 4.02Å; E82-L103 HydrophobicContact CB-CD2 3.96Å; E82-L103 HydrophobicContact CB-CG 4.12Å; E82-L103 HydrophobicContact CG-CD1 4.31Å; E82-L103 HydrophobicContact CG-CD2 4.09Å; E82-S164 WeakPolarHBondContact OE1-CA 3.49Å; E82-C165 HydrophobicContact CG-CB 3.97Å; E82-C165 PolarHBondContact OE1-N 2.96Å |
| 83 | L | 92.2 | Very high | 82.5 | Confident | 93 Ų | 93 | 93.8 Ų | 93.8 | 49% | 0.487 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 121 | 177 | -63.8 | -179.8 | 0 | 0 | 0 | 109.8 | L103 V104 S106 | L83-L103 CarbonylContact O-C 3.41Å; L83-L103 WeakPolarHBondContact O-CA 3.11Å; L83-V104 HydrophobicContact CB-CB 4.41Å; L83-V104 PolarHBondContact N-O 2.7Å; L83-V104 PolarHBondContact O-N 3.01Å; L83-S106 WeakPolarHBondContact CD1-OG 3.5Å; L83-S106 WeakPolarHBondContact CG-OG 3.21Å |
| 84 | H | 93 | Very high | 84.4 | Confident | 126 Ų | 126 | 86.2 Ų | 86.2 | 58% | 0.583 | 45% | 0.451 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 124.4 | 179.3 | -68.8 | 73.5 | 0 | 0 | 0 | 109.9 | E82 | E82-H84 PolarHBondContact O-ND1 3.27Å |
| 85 | Y | 92.5 | Very high | 86.6 | Confident | 138 Ų | 138 | 85 Ų | 85 | 54% | 0.541 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 127.4 | 178.9 | 178.5 | -111.2 | 0 | 0 | 0 | 110.5 | R87 E102 | Y85-R87 HydrophobicContact CD1-CB 4.16Å; Y85-R87 HydrophobicContact CD1-CG 4.33Å; Y85-R87 HydrophobicContact CE1-CB 3.55Å; Y85-R87 HydrophobicContact CE1-CG 4.04Å; Y85-E102 PolarHBondContact N-O 3.26Å; Y85-E102 PolarHBondContact O-N 3.01Å |
| 86 | T | 94.8 | Very high | 88.5 | Confident | 89 Ų | 89 | 82.2 Ų | 82.2 | 55% | 0.546 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 124.1 | 178.1 | 49.7 | 0 | 0 | 0 | 0 | 110.8 | V100 T101 | T86-V100 WeakPolarHBondContact CA-O 3.41Å; T86-T101 HydrophobicContact CG2-CG2 3.62Å |
| 87 | R | 94.5 | Very high | 90 | Very high | 113 Ų | 113 | 81.4 Ų | 81.4 | 43% | 0.426 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 154.6 | 175.2 | 69.1 | -174.6 | -138.3 | 107.4 | 4.3 | 113.3 | Y85 V100 E102 | Y85-R87 HydrophobicContact CD1-CB 4.16Å; Y85-R87 HydrophobicContact CD1-CG 4.33Å; Y85-R87 HydrophobicContact CE1-CB 3.55Å; Y85-R87 HydrophobicContact CE1-CG 4.04Å; R87-V100 PolarHBondContact N-O 3.21Å; R87-V100 PolarHBondContact O-N 3.18Å; R87-E102 WeakPolarHBondContact CD-OE2 3.4Å; R87-E102 IonicContact NE-OE2 2.65Å; R87-E102 PolarHBondContact NE-OE2 2.91Å |
| 88 | F | 94.9 | Very high | 91.4 | Very high | 82 Ų | 82 | 82.4 Ų | 82.4 | 36% | 0.36 | 42% | 0.417 | S | S | . | . | trans | -79.3 | 141.1 | 169.2 | -69.6 | -90.8 | 0 | 0 | 0 | 110 | R95 S96 P99 | F88-R95 HydrophobicContact CB-CG 4.46Å; F88-S96 WeakPolarHBondContact CD1-O 3.37Å; F88-P99 HydrophobicContact CD1-CB 4.48Å; F88-P99 HydrophobicContact CD2-CB 4.43Å; F88-P99 HydrophobicContact CE1-CB 4.25Å; F88-P99 HydrophobicContact CE2-CB 4.19Å; F88-P99 HydrophobicContact CZ-CB 4.09Å; F88-P99 HydrophobicContact CZ-CG 4.3Å | ||
| 89 | V | 94.4 | Very high | 92.4 | Very high | 9 Ų | 9 | 78.3 Ų | 78.3 | 6% | 0.055 | 41% | 0.41 | C | S | . | . | trans | -95.1 | 124.9 | 176.2 | 179 | 0 | 0 | 0 | 0 | 108.1 | S96 V100 L146 V159 | V89-S96 PolarHBondContact N-OG 3.45Å; V89-S96 WeakPolarHBondContact O-CB 3.44Å; V89-S96 PolarHBondContact O-N 2.69Å; V89-V100 HydrophobicContact CG2-CB 4.11Å; V89-V100 HydrophobicContact CG2-CG2 3.72Å; V89-L146 HydrophobicContact CG1-CD2 4.48Å; V89-V159 HydrophobicContact CG1-CG2 4.18Å; V89-V159 HydrophobicContact CG2-CG2 4.47Å | ||
| 90 | T | 94 | Very high | 93.1 | Very high | 86 Ų | 86 | 77.1 Ų | 77.1 | 53% | 0.528 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 146.7 | 175.7 | 52.1 | 0 | 0 | 0 | 0 | 110.5 | C94 R95 R157 | T90-C94 WeakPolarHBondContact CA-O 3.33Å; T90-R95 HydrophobicContact CG2-CB 4.32Å; T90-R95 HydrophobicContact CG2-CG 4.16Å; T90-R157 PolarHBondContact O-NH1 3.13Å |
| 91 | D | 92.5 | Very high | 93.4 | Very high | 67 Ų | 67 | 78.8 Ų | 78.8 | 36% | 0.358 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 96.1 | 176.6 | -162.5 | 16.7 | 0 | 0 | 0 | 109 | C94 L146 R157 | D91-C94 PolarHBondContact N-O 3.46Å; D91-C94 WeakPolarHBondContact O-CB 3.44Å; D91-C94 PolarHBondContact O-N 3.45Å; D91-L146 HydrophobicContact CB-CD1 3.63Å; D91-R157 IonicContact OD1-CZ 3.96Å; D91-R157 IonicContact OD1-NH1 3.41Å; D91-R157 PolarHBondContact OD1-NH1 3.47Å; D91-R157 IonicContact OD2-NE 3.98Å; D91-R157 IonicContact OD2-NH1 3.84Å |
| 92 | G | 91.4 | Very high | 93.6 | Very high | 71 Ų | 71 | 77.1 Ų | 77.1 | 73% | 0.732 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.1 | -124.4 | -170.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | C94 | G92-C94 PolarHBondContact O-N 3.35Š|
| 93 | P | 92.1 | Very high | 93.6 | Very high | 101 Ų | 101 | 73.3 Ų | 73.3 | 66% | 0.656 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -9 | 179.3 | 32.9 | -35.7 | 0 | 0 | 0 | 113.4 | P149 | P93-P149 HydrophobicContact CB-CG 3.91Å; P93-P149 WeakPolarHBondContact O-CD 3.31Å |
| 94 | C | 93.7 | Very high | 93.7 | Very high | 3 Ų | 3 | 72.3 Ų | 72.3 | 2% | 0.02 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 144.8 | -174 | -46.7 | 0 | 0 | 0 | 0 | 112.1 | T90 D91 G92 L146 L147 C148 | T90-C94 WeakPolarHBondContact CA-O 3.33Å; D91-C94 PolarHBondContact N-O 3.46Å; D91-C94 WeakPolarHBondContact O-CB 3.44Å; D91-C94 PolarHBondContact O-N 3.45Å; G92-C94 PolarHBondContact O-N 3.35Å; C94-L146 HydrophobicContact CB-CB 4.07Å; C94-L147 CarbonylContact C-O 3.6Å; C94-L147 VanDerWaalsContact CA-O 3.25Å; C94-L147 WeakPolarHBondContact CA-O 3.4Å; C94-C148 HydrophobicContact CB-CB 4.01Å; C94-C148 WeakPolarHBondContact CB-SG 3.45Å; C94-C148 WeakPolarHBondContact SG-CB 3.06Å; C94-C148 CovalentContact SG-SG 2.03Å; C94-C148 PolarHBondContact SG-SG 3.32Å |
| 95 | R | 95 | Very high | 93.8 | Very high | 135 Ų | 135 | 67.7 Ų | 67.7 | 51% | 0.509 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 144.6 | 178.4 | -179 | 175 | 173.3 | 169.4 | -1.3 | 111.2 | F88 T90 L147 | F88-R95 HydrophobicContact CB-CG 4.46Å; T90-R95 HydrophobicContact CG2-CB 4.32Å; T90-R95 HydrophobicContact CG2-CG 4.16Å; R95-L147 PolarHBondContact N-O 3.08Å; R95-L147 PolarHBondContact O-N 3.08Å |
| 96 | S | 95.1 | Very high | 93.7 | Very high | 5 Ų | 5 | 63 Ų | 63 | 4% | 0.035 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 138.5 | 176.8 | 68.1 | 0 | 0 | 0 | 0 | 112.3 | F88 V89 K98 V144 Q145 | F88-S96 WeakPolarHBondContact CD1-O 3.37Å; V89-S96 PolarHBondContact N-OG 3.45Å; V89-S96 WeakPolarHBondContact O-CB 3.44Å; V89-S96 PolarHBondContact O-N 2.69Å; S96-K98 VanDerWaalsContact C-N 3.28Å; S96-K98 WeakPolarHBondContact CB-O 3.37Å; S96-K98 PolarHBondContact O-N 3.17Å; S96-K98 PolarHBondContact OG-O 3.04Å; S96-V144 VanDerWaalsContact CB-CG1 3.49Å; S96-Q145 WeakPolarHBondContact CA-O 3.11Å |
| 97 | A | 91.3 | Very high | 93.3 | Very high | 56 Ų | 56 | 60.5 Ų | 60.5 | 46% | 0.463 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -66.5 | -33 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q145 L147 | A97-Q145 PolarHBondContact N-O 3.14Å; A97-L147 HydrophobicContact CB-CD1 3.73Å; A97-L147 HydrophobicContact CB-CG 4.05Å |
| 98 | K | 94.2 | Very high | 92.8 | Very high | 166 Ų | 166 | 60.8 Ų | 60.8 | 72% | 0.722 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -119.3 | 146.7 | 179.8 | -64.5 | -175.7 | -179.9 | -177.4 | 0 | 110.6 | S96 | S96-K98 VanDerWaalsContact C-N 3.28Å; S96-K98 WeakPolarHBondContact CB-O 3.37Å; S96-K98 PolarHBondContact O-N 3.17Å; S96-K98 PolarHBondContact OG-O 3.04Å |
| 99 | P | 95.1 | Very high | 92.3 | Very high | 69 Ų | 69 | 57.7 Ų | 57.7 | 45% | 0.448 | 34% | 0.343 | S | S | . | . | trans | -68 | 152.2 | 169.1 | 30.7 | -34.3 | 0 | 0 | 0 | 110 | F88 | F88-P99 HydrophobicContact CD1-CB 4.48Å; F88-P99 HydrophobicContact CD2-CB 4.43Å; F88-P99 HydrophobicContact CE1-CB 4.25Å; F88-P99 HydrophobicContact CE2-CB 4.19Å; F88-P99 HydrophobicContact CZ-CB 4.09Å; F88-P99 HydrophobicContact CZ-CG 4.3Å | ||
| 100 | V | 94.1 | Very high | 91.5 | Very high | 3 Ų | 3 | 58.4 Ų | 58.4 | 2% | 0.018 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 133.8 | 179.2 | 178 | 0 | 0 | 0 | 0 | 108.3 | T86 R87 V89 V144 L161 | T86-V100 WeakPolarHBondContact CA-O 3.41Å; R87-V100 PolarHBondContact N-O 3.21Å; R87-V100 PolarHBondContact O-N 3.18Å; V89-V100 HydrophobicContact CG2-CB 4.11Å; V89-V100 HydrophobicContact CG2-CG2 3.72Å; V100-V144 HydrophobicContact CG2-CG1 4.04Å; V100-V144 HydrophobicContact CG2-CG2 3.64Å; V100-L161 HydrophobicContact CG1-CD1 3.32Å; V100-L161 HydrophobicContact CG1-CD2 4.13Å; V100-L161 HydrophobicContact CG1-CG 4.34Å |
| 101 | T | 94.7 | Very high | 90.3 | Very high | 62 Ų | 62 | 57 Ų | 57 | 38% | 0.38 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 112 | 173.7 | 48.5 | 0 | 0 | 0 | 0 | 109.5 | T86 R140 | T86-T101 HydrophobicContact CG2-CG2 3.62Å; T101-R140 PolarHBondContact O-NH2 3.45Å; T101-R140 PolarHBondContact OG1-NH2 3.35Å |
| 102 | E | 92.8 | Very high | 88.9 | Confident | 63 Ų | 63 | 58.8 Ų | 58.8 | 29% | 0.294 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 149.8 | 170.3 | -171.1 | 162.6 | -173 | 0 | 0 | 109.6 | Y85 R87 L161 | Y85-E102 PolarHBondContact N-O 3.26Å; Y85-E102 PolarHBondContact O-N 3.01Å; R87-E102 WeakPolarHBondContact CD-OE2 3.4Å; R87-E102 IonicContact NE-OE2 2.65Å; R87-E102 PolarHBondContact NE-OE2 2.91Å; E102-L161 HydrophobicContact CB-CD2 4.24Å; E102-L161 HydrophobicContact CG-CD2 4.15Å |
| 103 | L | 94.2 | Very high | 87.3 | Confident | 3 Ų | 3 | 65.8 Ų | 65.8 | 2% | 0.016 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 130.7 | 178.5 | -166.9 | 159 | 0 | 0 | 0 | 108.2 | E82 L83 V162 C165 | E82-L103 HydrophobicContact CB-CD1 4.02Å; E82-L103 HydrophobicContact CB-CD2 3.96Å; E82-L103 HydrophobicContact CB-CG 4.12Å; E82-L103 HydrophobicContact CG-CD1 4.31Å; E82-L103 HydrophobicContact CG-CD2 4.09Å; L83-L103 CarbonylContact O-C 3.41Å; L83-L103 WeakPolarHBondContact O-CA 3.11Å; L103-V162 HydrophobicContact CB-CB 4.22Å; L103-V162 WeakPolarHBondContact CB-O 3.32Å; L103-V162 HydrophobicContact CD2-CB 4.42Å; L103-V162 HydrophobicContact CD2-CG1 3.92Å; L103-V162 WeakPolarHBondContact O-CB 3.39Å; L103-C165 WeakPolarHBondContact CD2-SG 3.19Å |
| 104 | V | 94.5 | Very high | 85.5 | Confident | 71 Ų | 71 | 67 Ų | 67 | 43% | 0.43 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 126 | 177.8 | -178.4 | 0 | 0 | 0 | 0 | 108.6 | L83 | L83-V104 HydrophobicContact CB-CB 4.41Å; L83-V104 PolarHBondContact N-O 2.7Å; L83-V104 PolarHBondContact O-N 3.01Å |
| 105 | C | 93.3 | Very high | 83.6 | Confident | 29 Ų | 29 | 72.7 Ų | 72.7 | 20% | 0.196 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 119.6 | 176.5 | -56.1 | 0 | 0 | 0 | 0 | 109.7 | C165 | C105-C165 WeakPolarHBondContact CA-SG 3.38Å; C105-C165 HydrophobicContact CB-CB 3.72Å; C105-C165 WeakPolarHBondContact CB-SG 3.4Å; C105-C165 WeakPolarHBondContact SG-CB 3.33Å; C105-C165 CovalentContact SG-SG 2.02Å; C105-C165 PolarHBondContact SG-SG 3.33Å |
| 106 | S | 90.8 | Very high | 81.6 | Confident | 39 Ų | 39 | 72.6 Ų | 72.6 | 27% | 0.273 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 157.5 | 175.7 | 73.4 | 0 | 0 | 0 | 0 | 110.7 | R81 L83 | R81-S106 WeakPolarHBondContact CA-O 3.29Å; R81-S106 WeakPolarHBondContact CB-O 3.47Å; R81-S106 PolarHBondContact N-O 3.17Å; R81-S106 PolarHBondContact O-N 3.27Å; R81-S106 VanDerWaalsContact O-N 3.07Å; R81-S106 VanDerWaalsContact O-O 3.08Å; L83-S106 WeakPolarHBondContact CD1-OG 3.5Å; L83-S106 WeakPolarHBondContact CG-OG 3.21Å |
| 107 | G | 86.8 | Confident | 79.5 | Confident | 38 Ų | 38 | 79.4 Ų | 79.4 | 39% | 0.392 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 122.4 | 171.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | S79 | S79-G107 WeakPolarHBondContact O-CA 3.39Å |
| 108 | Q | 83.7 | Confident | 77.9 | Confident | 119 Ų | 119 | 79.3 Ų | 79.3 | 56% | 0.556 | 45% | 0.454 | S | S | * | . | trans | -102 | 137.4 | -175.1 | -55.2 | -178.8 | 8.9 | 0 | 0 | 109.6 | E77 Y78 S79 | E77-Q108 WeakPolarHBondContact O-CB 2.97Å; Y78-Q108 CarbonylContact C-O 3.58Å; Y78-Q108 VanDerWaalsContact CA-O 3.32Å; Y78-Q108 WeakPolarHBondContact CA-O 3.26Å; Y78-Q108 HydrophobicContact CD1-CB 4.45Å; S79-Q108 CarbonylContact C-O 3.58Å; S79-Q108 PolarHBondContact N-O 3.11Å; S79-Q108 PolarHBondContact O-N 2.98Å | ||
| 109 | C | 85.6 | Confident | 76.1 | Confident | 17 Ų | 17 | 78.9 Ų | 78.9 | 12% | 0.115 | 46% | 0.458 | C | S | . | . | trans | -114.9 | 130.2 | 174.9 | -66.5 | 0 | 0 | 0 | 0 | 108.4 | F132 C134 C167 | C109-F132 HydrophobicContact CB-CB 3.53Å; C109-C134 PolarHBondContact SG-N 2.94Å; C109-C167 HydrophobicContact CB-CB 3.65Å; C109-C167 WeakPolarHBondContact CB-SG 3.45Å; C109-C167 WeakPolarHBondContact SG-CA 3.36Å; C109-C167 WeakPolarHBondContact SG-CB 3.49Å; C109-C167 CovalentContact SG-SG 2.04Å; C109-C167 PolarHBondContact SG-SG 3.04Å | ||
| 110 | G | 76.3 | Confident | 74.2 | Confident | 23 Ų | 23 | 79.2 Ų | 79.2 | 24% | 0.237 | 47% | 0.474 | C | S | . | . | trans | -116 | 166 | 173 | 0 | 0 | 0 | 0 | 0 | 111.7 | A112 | G110-A112 PolarHBondContact O-N 2.9Š| ||
| 111 | P | 70.1 | Confident | 72.3 | Confident | 57 Ų | 57 | 89.5 Ų | 89.5 | 37% | 0.37 | 51% | 0.513 | S | S | . | . | trans | -56.5 | 121.2 | 161.3 | 24.2 | -31.1 | 0 | 0 | 0 | 108.5 | R113 L114 F132 | P111-R113 PolarHBondContact O-N 2.64Å; P111-L114 HydrophobicContact CG-CB 4.47Å; P111-L114 HydrophobicContact CG-CD1 3.68Å; P111-L114 HydrophobicContact CG-CG 3.85Å; P111-L114 PolarHBondContact O-N 2.92Å; P111-F132 VanDerWaalsContact CA-CE2 3.43Å; P111-F132 HydrophobicContact CB-CD2 4.28Å; P111-F132 HydrophobicContact CB-CE2 3.73Å | ||
| 112 | A | 61.6 | Low | 70.4 | Confident | 104 Ų | 104 | 91.7 Ų | 91.7 | 86% | 0.86 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | 11.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | G110 | G110-A112 PolarHBondContact O-N 2.9Š|
| 113 | R | 58.9 | Low | 68.7 | Low | 219 Ų | 219 | 95 Ų | 95 | 83% | 0.826 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -138.7 | 8.8 | -173.9 | -62.8 | -168.7 | -178.3 | -153.2 | 0.2 | 115.1 | P111 L115 | P111-R113 PolarHBondContact O-N 2.64Å; R113-L115 WeakPolarHBondContact O-CD1 3.16Å; R113-L115 PolarHBondContact O-N 2.78Å; R113-L115 VanDerWaalsContact O-N 3.17Å |
| 114 | L | 54.2 | Low | 67.2 | Low | 125 Ų | 125 | 105.2 Ų | 105.2 | 65% | 0.654 | 58% | 0.578 | S | S | * | * | trans | -88.4 | 78.8 | 164.1 | -61.9 | -177.2 | 0 | 0 | 0 | 107.7 | P111 A118 | P111-L114 HydrophobicContact CG-CB 4.47Å; P111-L114 HydrophobicContact CG-CD1 3.68Å; P111-L114 HydrophobicContact CG-CG 3.85Å; P111-L114 PolarHBondContact O-N 2.92Å; L114-A118 HydrophobicContact CB-CB 3.88Å; L114-A118 HydrophobicContact CD2-CB 3.74Å; L114-A118 HydrophobicContact CG-CB 4.24Å | ||
| 115 | L | 53.7 | Low | 65.7 | Low | 124 Ų | 124 | 108.6 Ų | 108.6 | 65% | 0.649 | 58% | 0.583 | S | S | * | * | trans | -53.2 | 158.6 | 169 | -78.9 | 69.6 | 0 | 0 | 0 | 109.6 | R113 N117 A118 | R113-L115 WeakPolarHBondContact O-CD1 3.16Å; R113-L115 PolarHBondContact O-N 2.78Å; R113-L115 VanDerWaalsContact O-N 3.17Å; L115-N117 PolarHBondContact O-N 3.02Å; L115-A118 PolarHBondContact O-N 2.67Å | ||
| 116 | P | 52.4 | Low | 63.9 | Low | 132 Ų | 132 | 115.7 Ų | 115.7 | 86% | 0.857 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.5 | 2.2 | -175.7 | 10.5 | -23.9 | 0 | 0 | 0 | 117.8 | ||
| 117 | N | 52 | Low | 62.3 | Low | 149 Ų | 149 | 119.6 Ų | 119.6 | 80% | 0.797 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.1 | 26.3 | 177.1 | -65.9 | -30.1 | 0 | 0 | 0 | 113.8 | L115 I119 | L115-N117 PolarHBondContact O-N 3.02Å; N117-I119 PolarHBondContact O-N 2.99Å |
| 118 | A | 56.8 | Low | 60.9 | Low | 53 Ų | 53 | 124.8 Ų | 124.8 | 44% | 0.438 | 65% | 0.648 | S | S | . | * | trans | -66 | 104.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | L114 L115 G120 | L114-A118 HydrophobicContact CB-CB 3.88Å; L114-A118 HydrophobicContact CD2-CB 3.74Å; L114-A118 HydrophobicContact CG-CB 4.24Å; L115-A118 PolarHBondContact O-N 2.67Å; A118-G120 PolarHBondContact O-N 2.92Å | ||
| 119 | I | 55.9 | Low | 59.6 | Low | 157 Ų | 157 | 121.7 Ų | 121.7 | 81% | 0.805 | 65% | 0.649 | S | S | * | * | trans | -66.3 | 84.5 | 168 | -58.7 | 172.4 | 0 | 0 | 0 | 107.6 | N117 R121 | N117-I119 PolarHBondContact O-N 2.99Å; I119-R121 HydrophobicContact CG2-CB 4.25Å; I119-R121 HydrophobicContact CG2-CG 4.46Å; I119-R121 PolarHBondContact O-N 2.75Å | ||
| 120 | G | 55.6 | Low | 58.5 | Low | 77 Ų | 77 | 123 Ų | 123 | 79% | 0.794 | 66% | 0.657 | S | S | * | * | trans | -75.6 | 38 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | A118 | A118-G120 PolarHBondContact O-N 2.92Š| ||
| 121 | R | 55 | Low | 58.6 | Low | 218 Ų | 218 | 126.6 Ų | 126.6 | 82% | 0.823 | 67% | 0.671 | S | S | * | * | trans | -98.3 | 109.5 | -179.4 | -70.9 | -141.6 | -165.7 | -128.6 | 4.5 | 111.6 | I119 | I119-R121 HydrophobicContact CG2-CB 4.25Å; I119-R121 HydrophobicContact CG2-CG 4.46Å; I119-R121 PolarHBondContact O-N 2.75Å | ||
| 122 | V | 54.2 | Low | 59.3 | Low | 108 Ų | 108 | 126.7 Ų | 126.7 | 66% | 0.655 | 67% | 0.666 | S | S | * | * | trans | 77.9 | 71.4 | 133.5 | -165.9 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 123 | K | 57 | Low | 60.5 | Low | 134 Ų | 134 | 126 Ų | 126 | 58% | 0.583 | 64% | 0.641 | S | S | * | * | trans | -124.2 | 79.8 | 141.1 | -72 | -170 | 171.9 | 178.7 | 0 | 108.8 | W125 R126 | K123-W125 HydrophobicContact CB-CD2 4.1Å; K123-W125 HydrophobicContact CB-CE3 4.35Å; K123-W125 HydrophobicContact CB-CH2 4.16Å; K123-W125 HydrophobicContact CB-CZ2 3.88Å; K123-W125 HydrophobicContact CB-CZ3 4.37Å; K123-W125 HydrophobicContact CD-CH2 4.01Å; K123-W125 HydrophobicContact CD-CZ2 3.36Å; K123-W125 HydrophobicContact CG-CH2 3.61Å; K123-W125 HydrophobicContact CG-CZ2 3.42Å; K123-W125 VanDerWaalsContact CG-CZ2 3.42Å; K123-W125 HydrophobicContact CG-CZ3 4.23Å; K123-W125 PolarHBondContact O-N 2.9Å; K123-R126 HydrophobicContact CB-CG 4.4Å; K123-R126 PolarHBondContact O-N 3.03Å; K123-R126 VanDerWaalsContact O-N 3.08Å | ||
| 124 | W | 63.2 | Low | 62.1 | Low | 217 Ų | 217 | 117 Ų | 117 | 82% | 0.822 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.5 | -15.8 | -177.9 | 62.6 | -86 | 0 | 0 | 0 | 114.6 | ||
| 125 | W | 62.2 | Low | 63.9 | Low | 142 Ų | 142 | 112.4 Ų | 112.4 | 54% | 0.538 | 59% | 0.587 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.3 | -7.8 | 178.4 | 61.9 | 86.1 | 0 | 0 | 0 | 114.6 | K123 | K123-W125 HydrophobicContact CB-CD2 4.1Å; K123-W125 HydrophobicContact CB-CE3 4.35Å; K123-W125 HydrophobicContact CB-CH2 4.16Å; K123-W125 HydrophobicContact CB-CZ2 3.88Å; K123-W125 HydrophobicContact CB-CZ3 4.37Å; K123-W125 HydrophobicContact CD-CH2 4.01Å; K123-W125 HydrophobicContact CD-CZ2 3.36Å; K123-W125 HydrophobicContact CG-CH2 3.61Å; K123-W125 HydrophobicContact CG-CZ2 3.42Å; K123-W125 VanDerWaalsContact CG-CZ2 3.42Å; K123-W125 HydrophobicContact CG-CZ3 4.23Å; K123-W125 PolarHBondContact O-N 2.9Å |
| 126 | R | 56.1 | Low | 65.8 | Low | 177 Ų | 177 | 108.7 Ų | 108.7 | 67% | 0.668 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -93 | 124 | 174.7 | -71.1 | -92.9 | -168.1 | -117.5 | 1.2 | 107.5 | K123 N128 | K123-R126 HydrophobicContact CB-CG 4.4Å; K123-R126 PolarHBondContact O-N 3.03Å; K123-R126 VanDerWaalsContact O-N 3.08Å; R126-N128 PolarHBondContact O-N 2.78Å |
| 127 | P | 57.7 | Low | 67.8 | Low | 121 Ų | 121 | 105 Ų | 105 | 79% | 0.786 | 54% | 0.543 | S | S | * | . | trans | -55.8 | 138.5 | 169 | 26.1 | -31.8 | 0 | 0 | 0 | 107.5 | G129 | P127-G129 PolarHBondContact O-N 2.93Š| ||
| 128 | N | 56.7 | Low | 69.8 | Low | 147 Ų | 147 | 106 Ų | 106 | 79% | 0.786 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -34.1 | 135.2 | -175.9 | -68.7 | -22.9 | 0 | 0 | 0 | 111.6 | R126 | R126-N128 PolarHBondContact O-N 2.78Š|
| 129 | G | 56.3 | Low | 71.7 | Confident | 54 Ų | 54 | 110.7 Ų | 110.7 | 56% | 0.557 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -45.5 | 152.4 | -178 | 0 | 0 | 0 | 0 | 0 | 111.3 | P127 D131 | P127-G129 PolarHBondContact O-N 2.93Å; G129-D131 PolarHBondContact O-N 3.02Å |
| 130 | P | 63.4 | Low | 73.5 | Confident | 46 Ų | 46 | 107 Ų | 107 | 30% | 0.299 | 52% | 0.519 | S | S | . | . | P | Polyproline II helix | trans | -52.1 | 116.1 | -167.6 | 23.3 | -34.8 | 0 | 0 | 0 | 112 | F132 R169 | P130-F132 HydrophobicContact CB-CE2 4.35Å; P130-F132 HydrophobicContact CG-CE2 3.96Å; P130-F132 WeakPolarHBondContact O-CD2 3.04Å; P130-F132 WeakPolarHBondContact O-CE2 3.39Å; P130-F132 PolarHBondContact O-N 2.97Å; P130-R169 HydrophobicContact CB-CG 3.79Å |
| 131 | D | 77.7 | Confident | 75.4 | Confident | 98 Ų | 98 | 106.2 Ų | 106.2 | 52% | 0.524 | 51% | 0.505 | S | S | . | . | P | Polyproline II helix | trans | -63 | 120.6 | 179.2 | -59.9 | -38.3 | 0 | 0 | 0 | 108.2 | G129 L170 | G129-D131 PolarHBondContact O-N 3.02Å; D131-L170 HydrophobicContact CB-CB 4.03Å; D131-L170 HydrophobicContact CB-CD2 3.88Å; D131-L170 WeakPolarHBondContact O-CA 3.41Å; D131-L170 WeakPolarHBondContact O-CB 3.43Å; D131-L170 PolarHBondContact O-N 3.32Å |
| 132 | F | 84.5 | Confident | 77.2 | Confident | 59 Ų | 59 | 99 Ų | 99 | 26% | 0.259 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 141.9 | 171.6 | -72 | -101.1 | 0 | 0 | 0 | 108.6 | C109 P111 P130 R169 | C109-F132 HydrophobicContact CB-CB 3.53Å; P111-F132 VanDerWaalsContact CA-CE2 3.43Å; P111-F132 HydrophobicContact CB-CD2 4.28Å; P111-F132 HydrophobicContact CB-CE2 3.73Å; P130-F132 HydrophobicContact CB-CE2 4.35Å; P130-F132 HydrophobicContact CG-CE2 3.96Å; P130-F132 WeakPolarHBondContact O-CD2 3.04Å; P130-F132 WeakPolarHBondContact O-CE2 3.39Å; P130-F132 PolarHBondContact O-N 2.97Å; F132-R169 HydrophobicContact CD1-CB 4.1Å; F132-R169 HydrophobicContact CE1-CB 3.83Å; F132-R169 HydrophobicContact CE1-CG 4.48Å; F132-R169 HydrophobicContact CZ-CB 4.27Å; F132-R169 HydrophobicContact CZ-CG 4.45Å |
| 133 | R | 88 | Confident | 79.2 | Confident | 89 Ų | 89 | 102.5 Ų | 102.5 | 34% | 0.336 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 144.5 | 177.2 | 57.7 | 175.6 | -168.5 | -164.9 | 13.6 | 111.8 | I135 K168 L170 H174 | R133-I135 HydrophobicContact CG-CG2 3.88Å; R133-K168 PolarHBondContact N-O 3.3Å; R133-K168 PolarHBondContact O-N 3.06Å; R133-L170 VanDerWaalsContact CZ-CD1 3.47Å; R133-H174 PolarHBondContact NH2-CD2 3Å; R133-H174 VanDerWaalsContact NH2-CG 3.31Å |
| 134 | C | 90.8 | Very high | 81 | Confident | 29 Ų | 29 | 96.5 Ų | 96.5 | 20% | 0.196 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 121.3 | 173.8 | -177.4 | 0 | 0 | 0 | 0 | 108.6 | C80 C109 | C80-C134 VanDerWaalsContact CA-SG 3.57Å; C80-C134 HydrophobicContact CB-CB 3.75Å; C80-C134 WeakPolarHBondContact CB-SG 3.5Å; C80-C134 VanDerWaalsContact SG-CA 3.54Å; C80-C134 WeakPolarHBondContact SG-CB 3.42Å; C80-C134 CovalentContact SG-SG 2.03Å; C80-C134 PolarHBondContact SG-SG 2.85Å; C109-C134 PolarHBondContact SG-N 2.94Å |
| 135 | I | 92.3 | Very high | 82.5 | Confident | 30 Ų | 30 | 92.8 Ų | 92.8 | 15% | 0.154 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 159.1 | -177.8 | 60.4 | 156.2 | 0 | 0 | 0 | 111.5 | R133 D137 C165 K166 K168 | R133-I135 HydrophobicContact CG-CG2 3.88Å; I135-D137 PolarHBondContact O-N 3.27Å; I135-C165 WeakPolarHBondContact O-CA 2.96Å; I135-K166 HydrophobicContact CG1-CG 4.26Å; I135-K166 WeakPolarHBondContact CG1-O 3.13Å; I135-K166 PolarHBondContact N-O 3.06Å; I135-K166 PolarHBondContact O-N 3.49Å; I135-K168 HydrophobicContact CD1-CB 3.47Å; I135-K168 VanDerWaalsContact CD1-CB 3.47Å; I135-K168 HydrophobicContact CD1-CD 3.36Å; I135-K168 HydrophobicContact CD1-CG 4.01Å; I135-K168 HydrophobicContact CG1-CB 3.69Å; I135-K168 HydrophobicContact CG1-CD 4.48Å |
| 136 | P | 95 | Very high | 84.1 | Confident | 45 Ų | 45 | 86.1 Ų | 86.1 | 29% | 0.292 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.2 | 128.6 | 166.5 | -25.2 | 36.4 | 0 | 0 | 0 | 111.5 | Y139 V162 | P136-Y139 HydrophobicContact CB-CE1 4.24Å; P136-Y139 HydrophobicContact CB-CE2 3.95Å; P136-Y139 WeakPolarHBondContact CB-OH 3.01Å; P136-V162 HydrophobicContact CB-CG1 3.85Å; P136-V162 HydrophobicContact CB-CG2 4.11Å; P136-V162 HydrophobicContact CG-CG1 4.38Å; P136-V162 HydrophobicContact CG-CG2 4.09Å |
| 137 | D | 93.6 | Very high | 85.9 | Confident | 55 Ų | 55 | 82.6 Ų | 82.6 | 29% | 0.294 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | -57.8 | 174.6 | 177.9 | 39.9 | 0 | 0 | 0 | 110.8 | I135 S164 K166 | I135-D137 PolarHBondContact O-N 3.27Å; D137-S164 PolarHBondContact N-O 3.03Å; D137-S164 PolarHBondContact OD2-OG 3.36Å; D137-K166 HydrophobicContact CB-CB 4.1Å; D137-K166 HydrophobicContact CB-CD 3.78Å; D137-K166 HydrophobicContact CB-CG 3.8Å; D137-K166 VanDerWaalsContact OD1-CD 3.29Å; D137-K166 WeakPolarHBondContact OD1-CD 3.2Å; D137-K166 WeakPolarHBondContact OD1-CE 3.39Å; D137-K166 IonicContact OD1-NZ 3.36Å; D137-K166 PolarHBondContact OD1-NZ 3.31Å |
| 138 | R | 94.3 | Very high | 87.6 | Confident | 171 Ų | 171 | 77.8 Ų | 77.8 | 65% | 0.645 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 148.1 | -178 | -61.8 | 176.9 | -173.1 | -163.8 | -2.3 | 110.5 | A163 S164 | R138-A163 HydrophobicContact CB-CB 4.24Å; R138-A163 PolarHBondContact O-N 3.34Å; R138-S164 WeakPolarHBondContact CB-OG 3.42Å; R138-S164 PolarHBondContact N-OG 3.41Å; R138-S164 PolarHBondContact O-N 3.4Å |
| 139 | Y | 95.8 | Very high | 89.3 | Confident | 150 Ų | 150 | 75 Ų | 75 | 59% | 0.588 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 138.1 | 171.9 | -66.7 | -93 | 0 | 0 | 0 | 109.2 | P136 L161 V162 | P136-Y139 HydrophobicContact CB-CE1 4.24Å; P136-Y139 HydrophobicContact CB-CE2 3.95Å; P136-Y139 WeakPolarHBondContact CB-OH 3.01Å; Y139-L161 CarbonylContact C-O 3.1Å; Y139-L161 VanDerWaalsContact CA-O 3.31Å; Y139-L161 WeakPolarHBondContact CA-O 3.02Å; Y139-V162 HydrophobicContact CD1-CG2 4.16Å; Y139-V162 HydrophobicContact CE1-CG2 3.76Å |
| 140 | R | 94.6 | Very high | 90.8 | Very high | 81 Ų | 81 | 76.5 Ų | 76.5 | 31% | 0.306 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 143.5 | 168.2 | 65.1 | 178 | -177.8 | -120.4 | 0.6 | 109.4 | T101 L161 A163 | T101-R140 PolarHBondContact O-NH2 3.45Å; T101-R140 PolarHBondContact OG1-NH2 3.35Å; R140-L161 HydrophobicContact CG-CB 4.1Å; R140-L161 PolarHBondContact N-O 3.39Å; R140-L161 PolarHBondContact O-N 3.5Å; R140-L161 VanDerWaalsContact O-O 3.12Å; R140-A163 HydrophobicContact CB-CB 3.97Å; R140-A163 HydrophobicContact CG-CB 4.03Å |
| 141 | A | 94.8 | Very high | 91.6 | Very high | 59 Ų | 59 | 78.2 Ų | 78.2 | 49% | 0.488 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 128.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | K158 V159 | A141-K158 HydrophobicContact CB-CD 4.4Å; A141-K158 HydrophobicContact CB-CG 4.23Å; A141-V159 CarbonylContact C-O 3.56Å; A141-V159 WeakPolarHBondContact CA-O 3.4Å |
| 142 | Q | 93.9 | Very high | 91.9 | Very high | 66 Ų | 66 | 75.8 Ų | 75.8 | 31% | 0.308 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 131.7 | -179.3 | -174.4 | 170.3 | -20.6 | 0 | 0 | 109.7 | V144 K158 V159 L161 | Q142-V144 HydrophobicContact CG-CG2 4.38Å; Q142-K158 WeakPolarHBondContact O-CA 3.33Å; Q142-V159 PolarHBondContact N-O 3.44Å; Q142-V159 PolarHBondContact O-N 2.95Å; Q142-L161 HydrophobicContact CB-CD1 4.09Å |
| 143 | R | 94.9 | Very high | 92.1 | Very high | 182 Ų | 182 | 76.6 Ų | 76.6 | 69% | 0.687 | 43% | 0.429 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 125.6 | 170.7 | -70.2 | -176 | 76.7 | 169.6 | 1.6 | 108.9 | S156 R157 K158 | R143-S156 PolarHBondContact NH2-OG 3.49Å; R143-R157 CarbonylContact C-O 3.54Å; R143-R157 WeakPolarHBondContact CA-O 3.11Å; R143-K158 HydrophobicContact CG-CB 4.36Å; R143-K158 HydrophobicContact CG-CG 4.44Å |
| 144 | V | 95.1 | Very high | 92.2 | Very high | 9 Ų | 9 | 76.7 Ų | 76.7 | 6% | 0.055 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 133.1 | -176.7 | -173.8 | 0 | 0 | 0 | 0 | 108.4 | S96 V100 Q142 L146 S156 R157 V159 | S96-V144 VanDerWaalsContact CB-CG1 3.49Å; V100-V144 HydrophobicContact CG2-CG1 4.04Å; V100-V144 HydrophobicContact CG2-CG2 3.64Å; Q142-V144 HydrophobicContact CG-CG2 4.38Å; V144-L146 HydrophobicContact CG1-CD2 4.46Å; V144-S156 WeakPolarHBondContact O-CA 3.03Å; V144-R157 PolarHBondContact N-O 3.43Å; V144-R157 PolarHBondContact O-N 3.45Å; V144-V159 HydrophobicContact CG2-CG2 4.2Å |
| 145 | Q | 95 | Very high | 92.3 | Very high | 139 Ų | 139 | 82.5 Ų | 82.5 | 65% | 0.65 | 46% | 0.458 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 129.4 | 173.6 | -62.3 | -178.9 | 14.3 | 0 | 0 | 109.6 | S96 A97 | S96-Q145 WeakPolarHBondContact CA-O 3.11Å; A97-Q145 PolarHBondContact N-O 3.14Å |
| 146 | L | 95.5 | Very high | 92.3 | Very high | 1 Ų | 1 | 84.3 Ų | 84.3 | 1% | 0.005 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 132.4 | -178.5 | -57.1 | 175.3 | 0 | 0 | 0 | 109.1 | V89 D91 C94 V144 P154 R155 R157 | V89-L146 HydrophobicContact CG1-CD2 4.48Å; D91-L146 HydrophobicContact CB-CD1 3.63Å; C94-L146 HydrophobicContact CB-CB 4.07Å; V144-L146 HydrophobicContact CG1-CD2 4.46Å; L146-P154 CarbonylContact O-C 3.52Å; L146-P154 WeakPolarHBondContact O-CA 3.37Å; L146-R155 HydrophobicContact CB-CB 4.34Å; L146-R155 WeakPolarHBondContact CB-O 3.43Å; L146-R155 PolarHBondContact N-O 2.98Å; L146-R155 PolarHBondContact O-N 3.36Å; L146-R157 HydrophobicContact CD1-CB 3.85Å; L146-R157 HydrophobicContact CG-CB 4.45Å |
| 147 | L | 95 | Very high | 92.2 | Very high | 103 Ų | 103 | 87.1 Ų | 87.1 | 54% | 0.539 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 126.4 | 172.9 | -59.9 | 174.9 | 0 | 0 | 0 | 108.1 | C94 R95 A97 | C94-L147 CarbonylContact C-O 3.6Å; C94-L147 VanDerWaalsContact CA-O 3.25Å; C94-L147 WeakPolarHBondContact CA-O 3.4Å; R95-L147 PolarHBondContact N-O 3.08Å; R95-L147 PolarHBondContact O-N 3.08Å; A97-L147 HydrophobicContact CB-CD1 3.73Å; A97-L147 HydrophobicContact CB-CG 4.05Å |
| 148 | C | 93.3 | Very high | 92.2 | Very high | 21 Ų | 21 | 91.7 Ų | 91.7 | 14% | 0.142 | 50% | 0.496 | C | S | . | . | trans | -107.8 | 144.7 | -179.9 | -58.5 | 0 | 0 | 0 | 0 | 109.6 | C94 A152 | C94-C148 HydrophobicContact CB-CB 4.01Å; C94-C148 WeakPolarHBondContact CB-SG 3.45Å; C94-C148 WeakPolarHBondContact SG-CB 3.06Å; C94-C148 CovalentContact SG-SG 2.03Å; C94-C148 PolarHBondContact SG-SG 3.32Å; C148-A152 HydrophobicContact CB-CB 3.96Å | ||
| 149 | P | 92.6 | Very high | 92.2 | Very high | 89 Ų | 89 | 84.9 Ų | 84.9 | 58% | 0.578 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -66.6 | 158.5 | 174.1 | 28.3 | -34.4 | 0 | 0 | 0 | 111.2 | P93 | P93-P149 HydrophobicContact CB-CG 3.91Å; P93-P149 WeakPolarHBondContact O-CD 3.31Å |
| 150 | G | 87.4 | Confident | 92.2 | Very high | 84 Ų | 84 | 87.8 Ų | 87.8 | 87% | 0.866 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.5 | 25.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 116 | A152 | G150-A152 PolarHBondContact O-N 3.44Å; G150-A152 VanDerWaalsContact O-N 3.13Å |
| 151 | G | 80.1 | Confident | 92.2 | Very high | 83 Ų | 83 | 84.2 Ų | 84.2 | 86% | 0.856 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.8 | 7.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 152 | A | 84 | Confident | 92.2 | Very high | 47 Ų | 47 | 82.2 Ų | 82.2 | 39% | 0.388 | 45% | 0.452 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 139.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | C148 G150 | C148-A152 HydrophobicContact CB-CB 3.96Å; G150-A152 PolarHBondContact O-N 3.44Å; G150-A152 VanDerWaalsContact O-N 3.13Å |
| 153 | A | 88.1 | Confident | 92.2 | Very high | 76 Ų | 76 | 80.6 Ų | 80.6 | 63% | 0.628 | 45% | 0.45 | S | S | * | . | P | Polyproline II helix | trans | -55.8 | 145.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | R155 | A153-R155 PolarHBondContact O-N 3.1Š|
| 154 | P | 90.2 | Very high | 92.2 | Very high | 90 Ų | 90 | 73 Ų | 73 | 58% | 0.584 | 43% | 0.425 | S | S | * | . | P | Polyproline II helix | trans | -61 | 131.4 | 179.2 | 25.5 | -33.9 | 0 | 0 | 0 | 110.5 | L146 | L146-P154 CarbonylContact O-C 3.52Å; L146-P154 WeakPolarHBondContact O-CA 3.37Å |
| 155 | R | 92 | Very high | 92.1 | Very high | 152 Ų | 152 | 73.4 Ų | 73.4 | 57% | 0.574 | 43% | 0.428 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 145.8 | 178.3 | -64.9 | -176.9 | -179.6 | -176.5 | -0.5 | 110 | L146 A153 | L146-R155 HydrophobicContact CB-CB 4.34Å; L146-R155 WeakPolarHBondContact CB-O 3.43Å; L146-R155 PolarHBondContact N-O 2.98Å; L146-R155 PolarHBondContact O-N 3.36Å; A153-R155 PolarHBondContact O-N 3.1Å |
| 156 | S | 92.5 | Very high | 92 | Very high | 68 Ų | 68 | 71.1 Ų | 71.1 | 48% | 0.476 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 128.7 | 173.6 | 84 | 0 | 0 | 0 | 0 | 110.5 | R143 V144 | R143-S156 PolarHBondContact NH2-OG 3.49Å; V144-S156 WeakPolarHBondContact O-CA 3.03Å |
| 157 | R | 92.9 | Very high | 91.7 | Very high | 104 Ų | 104 | 73.8 Ų | 73.8 | 39% | 0.392 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 136.8 | 178.1 | -173.6 | 175.2 | 179.7 | -172.5 | 3.5 | 111.1 | T90 D91 R143 V144 L146 | T90-R157 PolarHBondContact O-NH1 3.13Å; D91-R157 IonicContact OD1-CZ 3.96Å; D91-R157 IonicContact OD1-NH1 3.41Å; D91-R157 PolarHBondContact OD1-NH1 3.47Å; D91-R157 IonicContact OD2-NE 3.98Å; D91-R157 IonicContact OD2-NH1 3.84Å; R143-R157 CarbonylContact C-O 3.54Å; R143-R157 WeakPolarHBondContact CA-O 3.11Å; V144-R157 PolarHBondContact N-O 3.43Å; V144-R157 PolarHBondContact O-N 3.45Å; L146-R157 HydrophobicContact CD1-CB 3.85Å; L146-R157 HydrophobicContact CG-CB 4.45Å |
| 158 | K | 94.9 | Very high | 91.3 | Very high | 150 Ų | 150 | 72.8 Ų | 72.8 | 65% | 0.652 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 118.9 | 174.8 | -171.4 | 175.8 | -178.9 | 175.7 | 0 | 109.5 | A141 Q142 R143 | A141-K158 HydrophobicContact CB-CD 4.4Å; A141-K158 HydrophobicContact CB-CG 4.23Å; Q142-K158 WeakPolarHBondContact O-CA 3.33Å; R143-K158 HydrophobicContact CG-CB 4.36Å; R143-K158 HydrophobicContact CG-CG 4.44Å |
| 159 | V | 93.9 | Very high | 90.9 | Very high | 29 Ų | 29 | 78.8 Ų | 78.8 | 18% | 0.176 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 137.6 | 177.6 | -174.9 | 0 | 0 | 0 | 0 | 108.7 | V89 A141 Q142 V144 L161 | V89-V159 HydrophobicContact CG1-CG2 4.18Å; V89-V159 HydrophobicContact CG2-CG2 4.47Å; A141-V159 CarbonylContact C-O 3.56Å; A141-V159 WeakPolarHBondContact CA-O 3.4Å; Q142-V159 PolarHBondContact N-O 3.44Å; Q142-V159 PolarHBondContact O-N 2.95Å; V144-V159 HydrophobicContact CG2-CG2 4.2Å; V159-L161 HydrophobicContact CG1-CD2 3.76Å; V159-L161 HydrophobicContact CG1-CG 4.13Å |
| 160 | R | 95.2 | Very high | 90.3 | Very high | 210 Ų | 210 | 76 Ų | 76 | 79% | 0.792 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 123.9 | 172.2 | -67.6 | -177 | 179.5 | -178 | -0.1 | 108.4 | ||
| 161 | L | 94.7 | Very high | 89.7 | Confident | 6 Ų | 6 | 75 Ų | 75 | 3% | 0.031 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 148.9 | -177.1 | -57.3 | 165.2 | 0 | 0 | 0 | 108.5 | V100 E102 Y139 R140 Q142 V159 | V100-L161 HydrophobicContact CG1-CD1 3.32Å; V100-L161 HydrophobicContact CG1-CD2 4.13Å; V100-L161 HydrophobicContact CG1-CG 4.34Å; E102-L161 HydrophobicContact CB-CD2 4.24Å; E102-L161 HydrophobicContact CG-CD2 4.15Å; Y139-L161 CarbonylContact C-O 3.1Å; Y139-L161 VanDerWaalsContact CA-O 3.31Å; Y139-L161 WeakPolarHBondContact CA-O 3.02Å; R140-L161 HydrophobicContact CG-CB 4.1Å; R140-L161 PolarHBondContact N-O 3.39Å; R140-L161 PolarHBondContact O-N 3.5Å; R140-L161 VanDerWaalsContact O-O 3.12Å; Q142-L161 HydrophobicContact CB-CD1 4.09Å; V159-L161 HydrophobicContact CG1-CD2 3.76Å; V159-L161 HydrophobicContact CG1-CG 4.13Å |
| 162 | V | 95.9 | Very high | 89.4 | Confident | 18 Ų | 18 | 82.1 Ų | 82.1 | 11% | 0.109 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 138.1 | 171.2 | -175.1 | 0 | 0 | 0 | 0 | 108.8 | L103 P136 Y139 S164 | L103-V162 HydrophobicContact CB-CB 4.22Å; L103-V162 WeakPolarHBondContact CB-O 3.32Å; L103-V162 HydrophobicContact CD2-CB 4.42Å; L103-V162 HydrophobicContact CD2-CG1 3.92Å; L103-V162 WeakPolarHBondContact O-CB 3.39Å; P136-V162 HydrophobicContact CB-CG1 3.85Å; P136-V162 HydrophobicContact CB-CG2 4.11Å; P136-V162 HydrophobicContact CG-CG1 4.38Å; P136-V162 HydrophobicContact CG-CG2 4.09Å; Y139-V162 HydrophobicContact CD1-CG2 4.16Å; Y139-V162 HydrophobicContact CE1-CG2 3.76Å; V162-S164 WeakPolarHBondContact CG1-O 2.96Å |
| 163 | A | 93.8 | Very high | 88.9 | Confident | 32 Ų | 32 | 87.1 Ų | 87.1 | 26% | 0.264 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | -30.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | R138 R140 | R138-A163 HydrophobicContact CB-CB 4.24Å; R138-A163 PolarHBondContact O-N 3.34Å; R140-A163 HydrophobicContact CB-CB 3.97Å; R140-A163 HydrophobicContact CG-CB 4.03Å |
| 164 | S | 93.9 | Very high | 88.3 | Confident | 23 Ų | 23 | 86.1 Ų | 86.1 | 16% | 0.161 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 157.9 | 176.1 | 59.4 | 0 | 0 | 0 | 0 | 111.4 | E82 D137 R138 V162 | E82-S164 WeakPolarHBondContact OE1-CA 3.49Å; D137-S164 PolarHBondContact N-O 3.03Å; D137-S164 PolarHBondContact OD2-OG 3.36Å; R138-S164 WeakPolarHBondContact CB-OG 3.42Å; R138-S164 PolarHBondContact N-OG 3.41Å; R138-S164 PolarHBondContact O-N 3.4Å; V162-S164 WeakPolarHBondContact CG1-O 2.96Å |
| 165 | C | 93.7 | Very high | 87.2 | Confident | 17 Ų | 17 | 87.1 Ų | 87.1 | 12% | 0.115 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 152.7 | 177.6 | -57 | 0 | 0 | 0 | 0 | 111.5 | C80 E82 L103 C105 I135 | C80-C165 VanDerWaalsContact SG-CB 3.58Å; E82-C165 HydrophobicContact CG-CB 3.97Å; E82-C165 PolarHBondContact OE1-N 2.96Å; L103-C165 WeakPolarHBondContact CD2-SG 3.19Å; C105-C165 WeakPolarHBondContact CA-SG 3.38Å; C105-C165 HydrophobicContact CB-CB 3.72Å; C105-C165 WeakPolarHBondContact CB-SG 3.4Å; C105-C165 WeakPolarHBondContact SG-CB 3.33Å; C105-C165 CovalentContact SG-SG 2.02Å; C105-C165 PolarHBondContact SG-SG 3.33Å; I135-C165 WeakPolarHBondContact O-CA 2.96Å |
| 166 | K | 91.7 | Very high | 86.1 | Confident | 91 Ų | 91 | 86 Ų | 86 | 40% | 0.396 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 155 | 173.1 | 72 | -178.3 | 171.3 | -164.4 | 0 | 112.7 | I135 D137 K168 | I135-K166 HydrophobicContact CG1-CG 4.26Å; I135-K166 WeakPolarHBondContact CG1-O 3.13Å; I135-K166 PolarHBondContact N-O 3.06Å; I135-K166 PolarHBondContact O-N 3.49Å; D137-K166 HydrophobicContact CB-CB 4.1Å; D137-K166 HydrophobicContact CB-CD 3.78Å; D137-K166 HydrophobicContact CB-CG 3.8Å; D137-K166 VanDerWaalsContact OD1-CD 3.29Å; D137-K166 WeakPolarHBondContact OD1-CD 3.2Å; D137-K166 WeakPolarHBondContact OD1-CE 3.39Å; D137-K166 IonicContact OD1-NZ 3.36Å; D137-K166 PolarHBondContact OD1-NZ 3.31Å; K166-K168 PolarHBondContact O-N 3.44Å |
| 167 | C | 89.5 | Confident | 85 | Confident | 56 Ų | 56 | 87.3 Ų | 87.3 | 38% | 0.378 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 117.4 | 165.2 | -69.2 | 0 | 0 | 0 | 0 | 110.1 | C80 C109 | C80-C167 VanDerWaalsContact CB-SG 3.54Å; C109-C167 HydrophobicContact CB-CB 3.65Å; C109-C167 WeakPolarHBondContact CB-SG 3.45Å; C109-C167 WeakPolarHBondContact SG-CA 3.36Å; C109-C167 WeakPolarHBondContact SG-CB 3.49Å; C109-C167 CovalentContact SG-SG 2.04Å; C109-C167 PolarHBondContact SG-SG 3.04Å |
| 168 | K | 88.3 | Confident | 83.6 | Confident | 83 Ų | 83 | 90.2 Ų | 90.2 | 36% | 0.361 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 134.8 | 172.9 | -171 | -179.1 | -177.8 | -175.5 | 0 | 110 | R133 I135 K166 L170 H174 | R133-K168 PolarHBondContact N-O 3.3Å; R133-K168 PolarHBondContact O-N 3.06Å; I135-K168 HydrophobicContact CD1-CB 3.47Å; I135-K168 VanDerWaalsContact CD1-CB 3.47Å; I135-K168 HydrophobicContact CD1-CD 3.36Å; I135-K168 HydrophobicContact CD1-CG 4.01Å; I135-K168 HydrophobicContact CG1-CB 3.69Å; I135-K168 HydrophobicContact CG1-CD 4.48Å; K166-K168 PolarHBondContact O-N 3.44Å; K168-L170 PolarHBondContact O-N 3.23Å; K168-H174 WeakPolarHBondContact CE-NE2 3.38Å; K168-H174 PolarHBondContact NZ-NE2 3.42Å |
| 169 | R | 84.7 | Confident | 81.9 | Confident | 146 Ų | 146 | 89.2 Ų | 89.2 | 55% | 0.551 | 43% | 0.428 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 125.8 | 168.6 | -179.3 | 168.5 | 176.8 | 176 | 8 | 110.2 | P130 F132 T171 | P130-R169 HydrophobicContact CB-CG 3.79Å; F132-R169 HydrophobicContact CD1-CB 4.1Å; F132-R169 HydrophobicContact CE1-CB 3.83Å; F132-R169 HydrophobicContact CE1-CG 4.48Å; F132-R169 HydrophobicContact CZ-CB 4.27Å; F132-R169 HydrophobicContact CZ-CG 4.45Å; R169-T171 PolarHBondContact O-N 3.15Å |
| 170 | L | 78.7 | Confident | 79.9 | Confident | 32 Ų | 32 | 93.9 Ų | 93.9 | 17% | 0.168 | 45% | 0.446 | C | S | . | . | trans | -65 | 129.7 | 171.9 | -169.5 | 67.6 | 0 | 0 | 0 | 108.9 | D131 R133 K168 H174 | D131-L170 HydrophobicContact CB-CB 4.03Å; D131-L170 HydrophobicContact CB-CD2 3.88Å; D131-L170 WeakPolarHBondContact O-CA 3.41Å; D131-L170 WeakPolarHBondContact O-CB 3.43Å; D131-L170 PolarHBondContact O-N 3.32Å; R133-L170 VanDerWaalsContact CZ-CD1 3.47Å; K168-L170 PolarHBondContact O-N 3.23Å; L170-H174 HydrophobicContact CD1-CB 3.52Å | ||
| 171 | T | 75.8 | Confident | 77.9 | Confident | 62 Ų | 62 | 90.4 Ų | 90.4 | 38% | 0.38 | 44% | 0.443 | S | S | . | . | trans | -112.5 | 155.5 | 169.6 | 72.7 | 0 | 0 | 0 | 0 | 108.3 | R169 F173 H174 | R169-T171 PolarHBondContact O-N 3.15Å; T171-F173 PolarHBondContact O-N 3.45Å; T171-H174 PolarHBondContact N-ND1 3.35Å; T171-H174 WeakPolarHBondContact O-CB 3.45Å; T171-H174 PolarHBondContact O-N 3.16Å; T171-H174 PolarHBondContact O-ND1 3.3Å; T171-H174 PolarHBondContact OG1-CE1 2.8Å; T171-H174 PolarHBondContact OG1-ND1 3.48Å | ||
| 172 | R | 73.8 | Confident | 75.8 | Confident | 233 Ų | 233 | 99.2 Ų | 99.2 | 88% | 0.879 | 48% | 0.481 | S | S | * | . | G | 310 helix | trans | -49.9 | -34.1 | 179.5 | -107 | -175.8 | -178.5 | 179.8 | 0.1 | 113.8 | H174 N175 | R172-H174 PolarHBondContact O-N 3.43Å; R172-N175 PolarHBondContact O-N 3.41Å |
| 173 | F | 73.2 | Confident | 74.1 | Confident | 151 Ų | 151 | 100.7 Ų | 100.7 | 66% | 0.662 | 50% | 0.5 | S | S | * | . | G | 310 helix | trans | -62.3 | -26.9 | 178.6 | -64.7 | -76.6 | 0 | 0 | 0 | 113.6 | T171 N175 Q176 | T171-F173 PolarHBondContact O-N 3.45Å; F173-N175 VanDerWaalsContact C-N 3.28Å; F173-N175 PolarHBondContact O-N 3.35Å; F173-Q176 VanDerWaalsContact CD1-NE2 3.31Å; F173-Q176 WeakPolarHBondContact O-CB 3.46Å; F173-Q176 PolarHBondContact O-N 3.27Å |
| 174 | H | 74.4 | Confident | 72.2 | Confident | 56 Ų | 56 | 104.6 Ų | 104.6 | 26% | 0.259 | 52% | 0.523 | S | S | . | . | G | 310 helix | trans | -77.2 | -13.1 | -177.1 | -65.1 | 101.8 | 0 | 0 | 0 | 114.6 | R133 K168 L170 T171 R172 | R133-H174 PolarHBondContact NH2-CD2 3Å; R133-H174 VanDerWaalsContact NH2-CG 3.31Å; K168-H174 WeakPolarHBondContact CE-NE2 3.38Å; K168-H174 PolarHBondContact NZ-NE2 3.42Å; L170-H174 HydrophobicContact CD1-CB 3.52Å; T171-H174 PolarHBondContact N-ND1 3.35Å; T171-H174 WeakPolarHBondContact O-CB 3.45Å; T171-H174 PolarHBondContact O-N 3.16Å; T171-H174 PolarHBondContact O-ND1 3.3Å; T171-H174 PolarHBondContact OG1-CE1 2.8Å; T171-H174 PolarHBondContact OG1-ND1 3.48Å; R172-H174 PolarHBondContact O-N 3.43Å |
| 175 | N | 68.3 | Low | 70.2 | Confident | 111 Ų | 111 | 112.7 Ų | 112.7 | 59% | 0.594 | 56% | 0.558 | S | S | * | * | G | 310 helix | trans | -102.5 | 7.4 | 174.5 | -68.2 | -9.6 | 0 | 0 | 0 | 111.6 | R172 F173 S177 | R172-N175 PolarHBondContact O-N 3.41Å; F173-N175 VanDerWaalsContact C-N 3.28Å; F173-N175 PolarHBondContact O-N 3.35Å; N175-S177 VanDerWaalsContact C-N 3.27Å; N175-S177 PolarHBondContact O-N 3.28Å |
| 176 | Q | 68.1 | Low | 68.5 | Low | 129 Ų | 129 | 117.8 Ų | 117.8 | 60% | 0.603 | 59% | 0.589 | S | S | * | * | trans | -70.8 | 92.5 | 169.7 | -67.7 | 177.7 | -5.9 | 0 | 0 | 106.9 | F173 E178 | F173-Q176 VanDerWaalsContact CD1-NE2 3.31Å; F173-Q176 WeakPolarHBondContact O-CB 3.46Å; F173-Q176 PolarHBondContact O-N 3.27Å; Q176-E178 PolarHBondContact O-N 3.39Å | ||
| 177 | S | 70 | Confident | 66.7 | Low | 94 Ų | 94 | 118 Ų | 118 | 66% | 0.657 | 61% | 0.608 | S | S | * | * | trans | -65.8 | 117.7 | 159.9 | 50.8 | 0 | 0 | 0 | 0 | 106 | N175 L179 | N175-S177 VanDerWaalsContact C-N 3.27Å; N175-S177 PolarHBondContact O-N 3.28Å; S177-L179 PolarHBondContact O-N 3.11Å | ||
| 178 | E | 64.5 | Low | 65.2 | Low | 165 Ų | 165 | 126.5 Ų | 126.5 | 77% | 0.771 | 63% | 0.632 | S | S | * | * | trans | -63.7 | 71.9 | 150.1 | -68.4 | -175.9 | -156.3 | 0 | 0 | 106.4 | Q176 K180 | Q176-E178 PolarHBondContact O-N 3.39Å; E178-K180 PolarHBondContact O-N 3.19Å | ||
| 179 | L | 58.9 | Low | 63.6 | Low | 130 Ų | 130 | 128.2 Ų | 128.2 | 68% | 0.681 | 65% | 0.651 | S | S | * | * | trans | -67.4 | 81.8 | 157.5 | -158.6 | 81.9 | 0 | 0 | 0 | 103.1 | S177 D181 | S177-L179 PolarHBondContact O-N 3.11Å; L179-D181 PolarHBondContact O-N 3.31Å | ||
| 180 | K | 51.9 | Low | 62.2 | Low | 127 Ų | 127 | 130.8 Ų | 130.8 | 55% | 0.552 | 67% | 0.67 | S | S | * | * | trans | -58 | 100.9 | 159.9 | -81.6 | -178.8 | 177.8 | 178.2 | 0 | 103.2 | E178 F182 | E178-K180 PolarHBondContact O-N 3.19Å; K180-F182 HydrophobicContact CB-CD2 3.9Å; K180-F182 HydrophobicContact CB-CE1 4.33Å; K180-F182 HydrophobicContact CB-CE2 3.6Å; K180-F182 HydrophobicContact CB-CG 4.4Å; K180-F182 HydrophobicContact CB-CZ 3.84Å; K180-F182 HydrophobicContact CD-CE1 4.14Å; K180-F182 HydrophobicContact CD-CE2 4.28Å; K180-F182 HydrophobicContact CD-CZ 3.7Å; K180-F182 HydrophobicContact CG-CZ 4.42Å; K180-F182 VanDerWaalsContact O-CD2 3.25Å; K180-F182 WeakPolarHBondContact O-CD2 3.34Å; K180-F182 PolarHBondContact O-N 3.03Å | ||
| 181 | D | 52.7 | Low | 61.1 | Low | 137 Ų | 137 | 139 Ų | 139 | 73% | 0.733 | 70% | 0.704 | S | S | * | * | trans | -57.3 | 90.5 | 159.1 | -70.4 | -41 | 0 | 0 | 0 | 104.9 | L179 G183 | L179-D181 PolarHBondContact O-N 3.31Å; D181-G183 PolarHBondContact O-N 3.35Å | ||
| 182 | F | 51.3 | Low | 60 | Low | 190 Ų | 190 | 139.5 Ų | 139.5 | 83% | 0.833 | 72% | 0.722 | S | S | * | * | trans | -71.5 | 31.1 | 166.7 | -68.4 | -77.9 | 0 | 0 | 0 | 110.2 | K180 | K180-F182 HydrophobicContact CB-CD2 3.9Å; K180-F182 HydrophobicContact CB-CE1 4.33Å; K180-F182 HydrophobicContact CB-CE2 3.6Å; K180-F182 HydrophobicContact CB-CG 4.4Å; K180-F182 HydrophobicContact CB-CZ 3.84Å; K180-F182 HydrophobicContact CD-CE1 4.14Å; K180-F182 HydrophobicContact CD-CE2 4.28Å; K180-F182 HydrophobicContact CD-CZ 3.7Å; K180-F182 HydrophobicContact CG-CZ 4.42Å; K180-F182 VanDerWaalsContact O-CD2 3.25Å; K180-F182 WeakPolarHBondContact O-CD2 3.34Å; K180-F182 PolarHBondContact O-N 3.03Å | ||
| 183 | G | 59.1 | Low | 58.9 | Low | 49 Ų | 49 | 140.2 Ų | 140.2 | 51% | 0.505 | 72% | 0.724 | S | S | . | * | S | Bend | trans | -85.3 | 133.2 | 168.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | D181 E185 | D181-G183 PolarHBondContact O-N 3.35Å; G183-E185 PolarHBondContact O-N 3.45Å; G183-E185 VanDerWaalsContact O-N 3.15Å |
| 184 | P | 53.9 | Low | 58.2 | Low | 115 Ų | 115 | 142.7 Ų | 142.7 | 75% | 0.747 | 74% | 0.735 | S | S | * | * | trans | -55 | 126.6 | 169 | 24.4 | -31.4 | 0 | 0 | 0 | 107.9 | T186 | P184-T186 VanDerWaalsContact C-N 3.28Å; P184-T186 PolarHBondContact O-N 3.05Å | ||
| 185 | E | 53 | Low | 57.6 | Low | 193 Ų | 193 | 145.8 Ų | 145.8 | 90% | 0.902 | 76% | 0.76 | S | S | * | * | trans | -54.4 | 91 | 176 | -174.9 | 173.6 | 176.8 | 0 | 0 | 109 | G183 A187 | G183-E185 PolarHBondContact O-N 3.45Å; G183-E185 VanDerWaalsContact O-N 3.15Å; E185-A187 PolarHBondContact O-N 3.42Å | ||
| 186 | T | 56.3 | Low | 57.1 | Low | 124 Ų | 124 | 152.1 Ų | 152.1 | 76% | 0.761 | 78% | 0.776 | S | S | * | * | trans | -78.1 | 108 | 170.6 | 44.2 | 0 | 0 | 0 | 0 | 106.3 | P184 R188 | P184-T186 VanDerWaalsContact C-N 3.28Å; P184-T186 PolarHBondContact O-N 3.05Å; T186-R188 PolarHBondContact O-N 3.28Å | ||
| 187 | A | 53.8 | Low | 56.8 | Low | 96 Ų | 96 | 151.9 Ų | 151.9 | 79% | 0.793 | 79% | 0.785 | S | S | * | * | trans | -47.2 | 105.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | E185 | E185-A187 PolarHBondContact O-N 3.42Š| ||
| 188 | R | 58.5 | Low | 55.8 | Low | 234 Ų | 234 | 159.6 Ų | 159.6 | 88% | 0.883 | 80% | 0.8 | S | S | * | * | trans | -73.1 | 130.2 | 168.2 | -90.2 | -177.5 | 173.5 | 176.9 | -0.1 | 108.5 | T186 Q190 | T186-R188 PolarHBondContact O-N 3.28Å; R188-Q190 PolarHBondContact O-N 3.21Å | ||
| 189 | P | 55.6 | Low | 55.5 | Low | 118 Ų | 118 | 156.6 Ų | 156.6 | 77% | 0.766 | 80% | 0.803 | S | S | * | * | trans | -67.9 | 133 | 179.5 | 26.4 | -31.7 | 0 | 0 | 0 | 110.5 | K191 | P189-K191 PolarHBondContact O-N 3.24Å; P189-K191 VanDerWaalsContact O-N 3.07Å | ||
| 190 | Q | 55.6 | Low | 55 | Low | 201 Ų | 201 | 162.6 Ų | 162.6 | 94% | 0.939 | 82% | 0.817 | S | S | * | * | trans | -62.9 | 107.2 | 172.3 | -73.7 | -170.6 | 2.2 | 0 | 0 | 110 | R188 G192 | R188-Q190 PolarHBondContact O-N 3.21Å; Q190-G192 PolarHBondContact O-N 3.2Å | ||
| 191 | K | 54.7 | Low | 54.9 | Low | 205 Ų | 205 | 160.5 Ų | 160.5 | 89% | 0.891 | 83% | 0.832 | S | S | * | * | trans | -75.7 | 101.3 | 164.6 | -102.9 | 179.8 | 176.7 | 177.3 | 0 | 108.8 | P189 R193 | P189-K191 PolarHBondContact O-N 3.24Å; P189-K191 VanDerWaalsContact O-N 3.07Å; K191-R193 PolarHBondContact O-N 3.36Å | ||
| 192 | G | 51.8 | Low | 54.7 | Low | 72 Ų | 72 | 158.6 Ų | 158.6 | 74% | 0.742 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 125.6 | 171 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q190 K194 | Q190-G192 PolarHBondContact O-N 3.2Å; G192-K194 PolarHBondContact O-N 3.32Å |
| 193 | R | 51.7 | Low | 54.6 | Low | 248 Ų | 248 | 159.3 Ų | 159.3 | 94% | 0.936 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 119.6 | 168 | -75.8 | -176 | 173.3 | -171.6 | -1.3 | 108.5 | K191 | K191-R193 PolarHBondContact O-N 3.36Š|
| 194 | K | 58.3 | Low | 54.3 | Low | 202 Ų | 202 | 161 Ų | 161 | 88% | 0.878 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 134.1 | 168.1 | -69.5 | -176.2 | 178.1 | -176.9 | 0 | 109.6 | G192 | G192-K194 PolarHBondContact O-N 3.32Š|
| 195 | P | 61.8 | Low | 54.3 | Low | 122 Ų | 122 | 162.6 Ų | 162.6 | 79% | 0.792 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 129 | 173.4 | 27.7 | -28.5 | 0 | 0 | 0 | 109.7 | ||
| 196 | R | 58.7 | Low | 54.4 | Low | 244 Ų | 244 | 162.5 Ų | 162.5 | 92% | 0.921 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 125.2 | 171.4 | -103.3 | -179.8 | 158.9 | -173.2 | -5.7 | 109 | ||
| 197 | P | 61.3 | Low | 54.3 | Low | 124 Ų | 124 | 161.2 Ų | 161.2 | 81% | 0.805 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 134.5 | 172.7 | 29.7 | -30.2 | 0 | 0 | 0 | 110.1 | ||
| 198 | R | 48 | Very low | 54.2 | Low | 255 Ų | 255 | 165.1 Ų | 165.1 | 96% | 0.962 | 85% | 0.852 | S | S | * | * | trans | -85.8 | 110.6 | 167.3 | -80.9 | -179.7 | 173.2 | 177.7 | -2.5 | 108.2 | ||||
| 199 | A | 58.6 | Low | 54.3 | Low | 102 Ų | 102 | 161.9 Ų | 161.9 | 84% | 0.843 | 85% | 0.851 | S | S | * | * | trans | -102.7 | 122.2 | 166.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 200 | R | 47.6 | Very low | 54.3 | Low | 256 Ų | 256 | 163 Ų | 163 | 97% | 0.966 | 85% | 0.846 | S | S | * | * | trans | -74 | 123.4 | 166.4 | -88.1 | 176.3 | 170.3 | 172.8 | -4.1 | 108.2 | ||||
| 201 | G | 50.7 | Low | 54.3 | Low | 84 Ų | 84 | 159.3 Ų | 159.3 | 87% | 0.866 | 83% | 0.833 | S | S | * | * | trans | -110.8 | 114.5 | 164.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 202 | A | 47.4 | Very low | 54 | Low | 96 Ų | 96 | 154 Ų | 154 | 79% | 0.793 | 83% | 0.827 | S | S | * | * | trans | -110 | 130.6 | 167.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 203 | K | 50.4 | Low | 54.1 | Low | 206 Ų | 206 | 165.4 Ų | 165.4 | 90% | 0.896 | 85% | 0.85 | S | S | * | * | trans | 177 | 103 | 157.1 | -101.8 | 170.1 | -179.1 | -174.6 | 0 | 106.2 | ||||
| 204 | A | 51.8 | Low | 54.2 | Low | 85 Ų | 85 | 161.3 Ų | 161.3 | 70% | 0.702 | 85% | 0.846 | S | S | * | * | 71.2 | 106.8 | 81.4 | 0 | 0 | 0 | 0 | 0 | 113 | |||||
| 205 | N | 55.4 | Low | 54 | Low | 148 Ų | 148 | 159.1 Ų | 159.1 | 79% | 0.791 | 84% | 0.844 | S | S | * | * | 167.1 | 129.6 | 121.3 | -84.5 | -15.1 | 0 | 0 | 0 | 112.9 | |||||
| 206 | Q | 54.6 | Low | 53.5 | Low | 191 Ų | 191 | 161.2 Ų | 161.2 | 89% | 0.893 | 85% | 0.847 | S | S | * | * | trans | 45.6 | 147.8 | 143.8 | -84.8 | 169.9 | -15.3 | 0 | 0 | 120.4 | ||||
| 207 | A | 54.5 | Low | 53.2 | Low | 96 Ų | 96 | 156.3 Ų | 156.3 | 79% | 0.793 | 84% | 0.843 | S | S | * | * | cis | -151.6 | 164.2 | 23 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 208 | E | 50.6 | Low | 52.7 | Low | 178 Ų | 178 | 158.3 Ų | 158.3 | 83% | 0.832 | 85% | 0.845 | S | S | * | * | trans | -59.5 | 146.4 | 177.7 | -170.2 | 175.1 | -176.2 | 0 | 0 | 115 | ||||
| 209 | L | 61.1 | Low | 53 | Low | 166 Ų | 166 | 151.9 Ų | 151.9 | 87% | 0.869 | 84% | 0.837 | S | S | * | * | trans | -145.6 | 106.6 | 149.5 | -150 | 85.3 | 0 | 0 | 0 | 108.8 | ||||
| 210 | E | 56.5 | Low | 52.7 | Low | 142 Ų | 142 | 155.4 Ų | 155.4 | 66% | 0.664 | 84% | 0.837 | S | S | * | * | trans | 7.6 | 145.3 | 136.3 | -79.8 | -177 | 98.5 | 0 | 0 | 117.3 | ||||
| 211 | N | 53.7 | Low | 53 | Low | 124 Ų | 124 | 147.7 Ų | 147.7 | 66% | 0.663 | 83% | 0.827 | S | S | * | * | cis | -165.7 | 131.8 | 14.7 | -97.1 | -29.9 | 0 | 0 | 0 | 105.1 | ||||
| 212 | A | 50.2 | Low | 53.2 | Low | 92 Ų | 92 | 153 Ų | 153 | 76% | 0.76 | 82% | 0.823 | S | S | * | * | 77.7 | 118.1 | 95.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 213 | Y | 52.7 | Low | 53.8 | Low | 312 Ų | 312 | 158.2 Ų | 158.2 | 100% | 1.224 | 83% | 0.826 | S | S | * | * | trans | 69.2 | 0 | 170 | -100.6 | -87.9 | 0 | 0 | 0 | 120.9 |
Retrieved 213 of 213 residues in 552.7 ms
(Link to these results)