| 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 | 58.2 | Low | 62.1 | Low | 229 Ų | 229 | 129.3 Ų | 129.3 | 100% | 1.128 | 68% | 0.679 | S | S | * | * | 0 | -4.1 | 0 | -84.8 | 158.8 | 162.1 | 0 | 0 | 114.8 | |||||
| 2 | Q | 59.5 | Low | 61.9 | Low | 170 Ų | 170 | 130.2 Ų | 130.2 | 79% | 0.794 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | -26.2 | 179.7 | -79.6 | 171.3 | -54.8 | 0 | 0 | 115.1 | A4 L5 | Q2-A4 VanDerWaalsContact C-N 3.27Å; Q2-A4 PolarHBondContact O-N 3.33Å; Q2-L5 PolarHBondContact O-N 3.45Å |
| 3 | W | 55.8 | Low | 61.9 | Low | 223 Ų | 223 | 126.6 Ų | 126.6 | 85% | 0.845 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -64.5 | -28.1 | -179.6 | -65.2 | 99.5 | 0 | 0 | 0 | 113.9 | L5 A6 V7 | W3-L5 VanDerWaalsContact C-N 3.28Å; W3-L5 PolarHBondContact O-N 3.33Å; W3-A6 PolarHBondContact O-N 3.3Å; W3-V7 PolarHBondContact O-N 3.17Å |
| 4 | A | 66.8 | Low | 61.7 | Low | 62 Ų | 62 | 126.4 Ų | 126.4 | 51% | 0.512 | 69% | 0.685 | S | S | . | * | H | α-helix | trans | -63.5 | -35 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q2 L8 | Q2-A4 VanDerWaalsContact C-N 3.27Å; Q2-A4 PolarHBondContact O-N 3.33Å; A4-L8 PolarHBondContact O-N 3.29Å |
| 5 | L | 63.4 | Low | 61.8 | Low | 116 Ų | 116 | 122.9 Ų | 122.9 | 61% | 0.607 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -69.2 | -40.4 | 179.1 | -72.8 | 163 | 0 | 0 | 0 | 111.8 | Q2 W3 V7 L8 L9 | Q2-L5 PolarHBondContact O-N 3.45Å; W3-L5 VanDerWaalsContact C-N 3.28Å; W3-L5 PolarHBondContact O-N 3.33Å; L5-V7 VanDerWaalsContact C-N 3.33Å; L5-V7 PolarHBondContact O-N 3.36Å; L5-L8 PolarHBondContact O-N 3.32Å; L5-L9 PolarHBondContact O-N 3.3Å; L5-L9 VanDerWaalsContact O-N 3.17Å |
| 6 | A | 62.8 | Low | 62.2 | Low | 60 Ų | 60 | 122.3 Ų | 122.3 | 50% | 0.496 | 69% | 0.687 | S | S | . | * | H | α-helix | trans | -64.9 | -37.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | W3 L9 A10 | W3-A6 PolarHBondContact O-N 3.3Å; A6-L9 PolarHBondContact O-N 3.27Å; A6-A10 PolarHBondContact O-N 3.43Å |
| 7 | V | 66.5 | Low | 62.2 | Low | 85 Ų | 85 | 125.6 Ų | 125.6 | 52% | 0.515 | 70% | 0.696 | S | S | . | * | H | α-helix | trans | -67.4 | -41.1 | 176.6 | 174.4 | 0 | 0 | 0 | 0 | 111.3 | W3 L5 L9 A10 F11 | W3-V7 PolarHBondContact O-N 3.17Å; L5-V7 VanDerWaalsContact C-N 3.33Å; L5-V7 PolarHBondContact O-N 3.36Å; V7-L9 VanDerWaalsContact C-N 3.32Å; V7-L9 PolarHBondContact O-N 3.43Å; V7-A10 PolarHBondContact O-N 3.48Å; V7-F11 HydrophobicContact CG1-CD2 4.25Å; V7-F11 HydrophobicContact CG1-CE2 3.67Å; V7-F11 WeakPolarHBondContact O-CD2 3.17Å |
| 8 | L | 63.1 | Low | 61.6 | Low | 117 Ų | 117 | 129.8 Ų | 129.8 | 61% | 0.613 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -61.8 | -36.9 | 175.8 | -89.8 | 154.1 | 0 | 0 | 0 | 112.9 | A4 L5 F11 | A4-L8 PolarHBondContact O-N 3.29Å; L5-L8 PolarHBondContact O-N 3.32Å; L8-F11 PolarHBondContact O-N 3.23Å |
| 9 | L | 62.1 | Low | 61.3 | Low | 125 Ų | 125 | 127.5 Ų | 127.5 | 65% | 0.654 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -68.8 | -31.2 | 176.1 | -89.3 | 142.2 | 0 | 0 | 0 | 113.2 | L5 A6 V7 F11 L12 | L5-L9 PolarHBondContact O-N 3.3Å; L5-L9 VanDerWaalsContact O-N 3.17Å; A6-L9 PolarHBondContact O-N 3.27Å; V7-L9 VanDerWaalsContact C-N 3.32Å; V7-L9 PolarHBondContact O-N 3.43Å; L9-F11 VanDerWaalsContact C-N 3.31Å; L9-F11 PolarHBondContact O-N 3.41Å; L9-L12 PolarHBondContact O-N 3.22Å |
| 10 | A | 62.3 | Low | 60.7 | Low | 71 Ų | 71 | 126.8 Ų | 126.8 | 59% | 0.587 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -69.1 | -26.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | A6 V7 L12 | A6-A10 PolarHBondContact O-N 3.43Å; V7-A10 PolarHBondContact O-N 3.48Å; A10-L12 VanDerWaalsContact C-N 3.35Å |
| 11 | F | 62.6 | Low | 60 | Low | 164 Ų | 164 | 126.2 Ų | 126.2 | 72% | 0.719 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -79.4 | -16.6 | 175.8 | -71.4 | -69.9 | 0 | 0 | 0 | 113.6 | V7 L8 L9 S13 | V7-F11 HydrophobicContact CG1-CD2 4.25Å; V7-F11 HydrophobicContact CG1-CE2 3.67Å; V7-F11 WeakPolarHBondContact O-CD2 3.17Å; L8-F11 PolarHBondContact O-N 3.23Å; L9-F11 VanDerWaalsContact C-N 3.31Å; L9-F11 PolarHBondContact O-N 3.41Å; F11-S13 PolarHBondContact O-N 3.23Å |
| 12 | L | 59.4 | Low | 59.8 | Low | 140 Ų | 140 | 121.9 Ų | 121.9 | 73% | 0.733 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | 35.1 | 170.1 | -77.5 | 158 | 0 | 0 | 0 | 111.5 | L9 A10 P14 | L9-L12 PolarHBondContact O-N 3.22Å; A10-L12 VanDerWaalsContact C-N 3.35Å; L12-P14 VanDerWaalsContact O-CD 3.31Å; L12-P14 WeakPolarHBondContact O-CD 3.31Å |
| 13 | S | 62.1 | Low | 59.4 | Low | 84 Ų | 84 | 121 Ų | 121 | 59% | 0.587 | 68% | 0.677 | S | S | * | * | trans | -59.6 | 123.9 | 161 | 49.6 | 0 | 0 | 0 | 0 | 106.3 | F11 A15 | F11-S13 PolarHBondContact O-N 3.23Å; S13-A15 PolarHBondContact O-N 2.82Å | ||
| 14 | P | 58.9 | Low | 59.4 | Low | 123 Ų | 123 | 114 Ų | 114 | 80% | 0.799 | 67% | 0.674 | S | S | * | * | trans | -64.5 | 93 | 168.2 | 2 | 9.4 | 0 | 0 | 0 | 104.7 | L12 S16 | L12-P14 VanDerWaalsContact O-CD 3.31Å; L12-P14 WeakPolarHBondContact O-CD 3.31Å; P14-S16 PolarHBondContact O-N 2.94Å | ||
| 15 | A | 63.7 | Low | 59.8 | Low | 75 Ų | 75 | 118.4 Ų | 118.4 | 62% | 0.62 | 68% | 0.677 | S | S | * | * | trans | -51.9 | 106.8 | 158.4 | 0 | 0 | 0 | 0 | 0 | 103.5 | S13 Q17 | S13-A15 PolarHBondContact O-N 2.82Å; A15-Q17 PolarHBondContact O-N 2.68Å | ||
| 16 | S | 67.7 | Low | 60.7 | Low | 112 Ų | 112 | 117.3 Ų | 117.3 | 78% | 0.783 | 68% | 0.675 | S | S | * | * | trans | -59.9 | 87.6 | 170.5 | 168.4 | 0 | 0 | 0 | 0 | 105.1 | P14 K18 | P14-S16 PolarHBondContact O-N 2.94Å; S16-K18 VanDerWaalsContact C-N 3.31Å; S16-K18 PolarHBondContact O-N 3.19Å | ||
| 17 | Q | 62.4 | Low | 61.8 | Low | 179 Ų | 179 | 120.7 Ų | 120.7 | 84% | 0.836 | 68% | 0.679 | S | S | * | * | trans | -63.8 | 102.3 | 175.8 | -66.1 | -171.9 | 27.2 | 0 | 0 | 104.9 | A15 S19 | A15-Q17 PolarHBondContact O-N 2.68Å; Q17-S19 PolarHBondContact O-N 2.71Å | ||
| 18 | K | 52.4 | Low | 63 | Low | 201 Ų | 201 | 122 Ų | 122 | 87% | 0.874 | 69% | 0.692 | S | S | * | * | trans | -75.5 | 87.7 | 176.5 | -153.4 | -175.7 | -167.4 | -175.5 | 0 | 105.6 | S16 S20 | S16-K18 VanDerWaalsContact C-N 3.31Å; S16-K18 PolarHBondContact O-N 3.19Å; K18-S20 PolarHBondContact O-N 3.23Å | ||
| 19 | S | 54.8 | Low | 64.4 | Low | 87 Ų | 87 | 119.1 Ų | 119.1 | 61% | 0.608 | 68% | 0.679 | S | S | * | * | trans | -69.8 | 115.4 | 167.5 | 78.2 | 0 | 0 | 0 | 0 | 106.9 | Q17 N21 | Q17-S19 PolarHBondContact O-N 2.71Å; S19-N21 PolarHBondContact O-N 3.2Å | ||
| 20 | S | 49.5 | Very low | 66 | Low | 113 Ų | 113 | 120.2 Ų | 120.2 | 79% | 0.79 | 68% | 0.684 | S | S | * | * | trans | -70.5 | 108.4 | 160.4 | 46.6 | 0 | 0 | 0 | 0 | 105.5 | K18 L22 | K18-S20 PolarHBondContact O-N 3.23Å; S20-L22 PolarHBondContact O-N 2.85Å | ||
| 21 | N | 47.1 | Very low | 67.6 | Low | 115 Ų | 115 | 123.9 Ų | 123.9 | 62% | 0.615 | 68% | 0.683 | S | S | * | * | trans | -65.1 | 91 | 172.3 | -88.1 | -83.5 | 0 | 0 | 0 | 107.9 | S19 E23 G24 | S19-N21 PolarHBondContact O-N 3.2Å; N21-E23 HydrophobicContact CB-CB 3.98Å; N21-E23 PolarHBondContact O-N 3.39Å; N21-G24 PolarHBondContact O-N 3.04Å | ||
| 22 | L | 53.9 | Low | 69.2 | Low | 137 Ų | 137 | 123.9 Ų | 123.9 | 72% | 0.717 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -52.8 | -29.4 | 162 | -171 | 69.4 | 0 | 0 | 0 | 109.7 | S20 G24 R25 T26 | S20-L22 PolarHBondContact O-N 2.85Å; L22-G24 PolarHBondContact O-N 3.2Å; L22-R25 PolarHBondContact O-N 3.06Å; L22-T26 PolarHBondContact O-N 3.17Å; L22-T26 PolarHBondContact O-OG1 3.21Å |
| 23 | E | 51 | Low | 71 | Confident | 152 Ų | 152 | 122.8 Ų | 122.8 | 71% | 0.71 | 68% | 0.684 | S | S | * | * | G | 310 helix | trans | -39.6 | -40.7 | 171.4 | -149.5 | 81.8 | 171.6 | 0 | 0 | 114 | N21 R25 | N21-E23 HydrophobicContact CB-CB 3.98Å; N21-E23 PolarHBondContact O-N 3.39Å; E23-R25 PolarHBondContact O-N 3.4Å |
| 24 | G | 55.5 | Low | 72.7 | Confident | 75 Ų | 75 | 120.9 Ų | 120.9 | 77% | 0.773 | 68% | 0.678 | S | S | * | * | G | 310 helix | trans | -69.9 | -14.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115 | N21 L22 | N21-G24 PolarHBondContact O-N 3.04Å; L22-G24 PolarHBondContact O-N 3.2Å |
| 25 | R | 74.6 | Confident | 74.5 | Confident | 156 Ų | 156 | 116.8 Ų | 116.8 | 59% | 0.589 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.5 | -13 | -177.2 | -157.7 | 176.4 | -154.6 | -174.4 | 12.4 | 113.7 | L22 E23 K27 D42 | L22-R25 PolarHBondContact O-N 3.06Å; E23-R25 PolarHBondContact O-N 3.4Å; R25-K27 PolarHBondContact O-N 3.09Å; R25-D42 PolarHBondContact NH1-O 3.36Å; R25-D42 VanDerWaalsContact NH2-CB 3.28Å; R25-D42 PolarHBondContact NH2-O 3.01Å |
| 26 | T | 81.7 | Confident | 76.1 | Confident | 92 Ų | 92 | 116.2 Ų | 116.2 | 56% | 0.564 | 64% | 0.644 | S | S | * | * | trans | -67.2 | 126.8 | -178.9 | -57 | 0 | 0 | 0 | 0 | 110.4 | L22 | L22-T26 PolarHBondContact O-N 3.17Å; L22-T26 PolarHBondContact O-OG1 3.21Å | ||
| 27 | K | 86.8 | Confident | 77.5 | Confident | 131 Ų | 131 | 111.3 Ų | 111.3 | 57% | 0.57 | 61% | 0.61 | S | S | * | * | trans | -111.5 | 134.2 | 173.7 | -65.9 | 177.3 | -173.9 | 175.4 | 0 | 108.7 | R25 T40 | R25-K27 PolarHBondContact O-N 3.09Å; K27-T40 PolarHBondContact NZ-OG1 3.36Å | ||
| 28 | S | 91.8 | Very high | 79.1 | Confident | 114 Ų | 114 | 106.4 Ų | 106.4 | 80% | 0.797 | 59% | 0.587 | S | S | * | * | trans | -92.6 | 132.9 | 171.1 | 59.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 29 | V | 93 | Very high | 81.2 | Confident | 56 Ų | 56 | 98.4 Ų | 98.4 | 34% | 0.339 | 55% | 0.554 | S | S | . | * | trans | -127.6 | 112.2 | 177.2 | -179.7 | 0 | 0 | 0 | 0 | 107.8 | R31 A37 I39 | V29-R31 HydrophobicContact CG1-CG 3.93Å; V29-A37 HydrophobicContact CG1-CB 4.08Å; V29-I39 HydrophobicContact CB-CD1 4.47Å; V29-I39 HydrophobicContact CG2-CD1 4.18Å | ||
| 30 | I | 94.8 | Very high | 83.1 | Confident | 147 Ų | 147 | 96.4 Ų | 96.4 | 75% | 0.754 | 54% | 0.538 | S | S | * | . | trans | -107.5 | 127.1 | 176 | -59 | 171.3 | 0 | 0 | 0 | 108.2 | ||||
| 31 | R | 96.2 | Very high | 85.2 | Confident | 149 Ų | 149 | 91.1 Ų | 91.1 | 56% | 0.562 | 50% | 0.501 | S | S | * | . | trans | -143.9 | 154.5 | -176.7 | -70.9 | -63.3 | -179.7 | -89.2 | 1.2 | 110 | V29 A37 L103 | V29-R31 HydrophobicContact CG1-CG 3.93Å; R31-A37 HydrophobicContact CG-CB 4.13Å; R31-L103 HydrophobicContact CB-CD1 3.36Å; R31-L103 HydrophobicContact CG-CD1 4.13Å | ||
| 32 | Q | 96.4 | Very high | 87.3 | Confident | 163 Ų | 163 | 88.5 Ų | 88.5 | 76% | 0.762 | 49% | 0.487 | S | S | * | . | trans | -79.4 | 150.2 | 178.4 | -67.4 | 180 | -32.5 | 0 | 0 | 110.8 | S35 | Q32-S35 PolarHBondContact N-OG 2.6Å; Q32-S35 VanDerWaalsContact O-CB 3.31Å; Q32-S35 WeakPolarHBondContact O-CB 3.22Å; Q32-S35 PolarHBondContact O-N 2.81Å; Q32-S35 VanDerWaalsContact O-N 3.11Å; Q32-S35 PolarHBondContact O-OG 2.8Å | ||
| 33 | T | 97.2 | Very high | 89.1 | Confident | 117 Ų | 117 | 83.2 Ų | 83.2 | 72% | 0.718 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.9 | 140.1 | 168.4 | -54.7 | 0 | 0 | 0 | 0 | 110.7 | S35 L103 | T33-S35 PolarHBondContact O-N 3.25Å; T33-L103 CarbonylContact C-O 3.52Å; T33-L103 WeakPolarHBondContact CA-O 3.47Å; T33-L103 VanDerWaalsContact CG2-O 3.3Å; T33-L103 WeakPolarHBondContact CG2-O 3.41Å |
| 34 | G | 97.6 | Very high | 90.9 | Very high | 44 Ų | 44 | 79.2 Ų | 79.2 | 45% | 0.454 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.3 | -15.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115 | L103 | G34-L103 PolarHBondContact N-O 3.01Š|
| 35 | S | 97.4 | Very high | 92.4 | Very high | 38 Ų | 38 | 84.4 Ų | 84.4 | 27% | 0.266 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -81.7 | -170.5 | 176.5 | 76.6 | 0 | 0 | 0 | 0 | 112.4 | Q32 T33 N102 L103 | Q32-S35 PolarHBondContact N-OG 2.6Å; Q32-S35 VanDerWaalsContact O-CB 3.31Å; Q32-S35 WeakPolarHBondContact O-CB 3.22Å; Q32-S35 PolarHBondContact O-N 2.81Å; Q32-S35 VanDerWaalsContact O-N 3.11Å; Q32-S35 PolarHBondContact O-OG 2.8Å; T33-S35 PolarHBondContact O-N 3.25Å; S35-N102 PolarHBondContact O-N 3.18Å; S35-N102 VanDerWaalsContact O-N 3.15Å; S35-L103 WeakPolarHBondContact O-CG 3.06Å; S35-L103 PolarHBondContact O-N 3.41Å |
| 36 | S | 97.1 | Very high | 93 | Very high | 62 Ų | 62 | 80.5 Ų | 80.5 | 43% | 0.434 | 47% | 0.465 | S | S | . | . | trans | -117.2 | 147 | 176.5 | -61.4 | 0 | 0 | 0 | 0 | 111.1 | L100 | S36-L100 CarbonylContact C-O 3.55Å; S36-L100 WeakPolarHBondContact CA-O 3.42Å; S36-L100 VanDerWaalsContact CB-O 3.23Å; S36-L100 WeakPolarHBondContact CB-O 3.32Å | ||
| 37 | A | 96.7 | Very high | 93.4 | Very high | 10 Ų | 10 | 77.7 Ų | 77.7 | 8% | 0.083 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 150.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | V29 R31 I99 L100 L103 | V29-A37 HydrophobicContact CG1-CB 4.08Å; R31-A37 HydrophobicContact CG-CB 4.13Å; A37-I99 WeakPolarHBondContact O-CA 3.49Å; A37-L100 HydrophobicContact CB-CB 4.42Å; A37-L100 PolarHBondContact N-O 3.27Å; A37-L100 PolarHBondContact O-N 2.79Å; A37-L103 HydrophobicContact CB-CD1 3.88Å; A37-L103 HydrophobicContact CB-CD2 4.16Å |
| 38 | E | 96.2 | Very high | 93.5 | Very high | 75 Ų | 75 | 73.4 Ų | 73.4 | 35% | 0.35 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 126.8 | 175.9 | -174.7 | -176.1 | 130.9 | 0 | 0 | 109.2 | R97 L98 I99 | E38-R97 HydrophobicContact CG-CB 4.05Å; E38-R97 HydrophobicContact CG-CG 4.23Å; E38-R97 WeakPolarHBondContact OE1-CD 3.33Å; E38-R97 WeakPolarHBondContact OE1-CG 3.42Å; E38-R97 IonicContact OE1-CZ 3.43Å; E38-R97 VanDerWaalsContact OE1-CZ 3.24Å; E38-R97 IonicContact OE1-NE 2.75Å; E38-R97 PolarHBondContact OE1-NE 2.68Å; E38-R97 IonicContact OE1-NH1 3.2Å; E38-R97 PolarHBondContact OE1-NH1 3.17Å; E38-R97 IonicContact OE2-NH1 2.66Å; E38-R97 PolarHBondContact OE2-NH1 3.33Å; E38-L98 WeakPolarHBondContact CA-O 3.42Å; E38-I99 HydrophobicContact CG-CG1 4.38Å |
| 39 | I | 95.7 | Very high | 93.5 | Very high | 33 Ų | 33 | 68.2 Ų | 68.2 | 17% | 0.169 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 118 | 175.7 | -49.3 | -59.3 | 0 | 0 | 0 | 108.2 | V29 W53 R97 L98 L100 Y111 | V29-I39 HydrophobicContact CB-CD1 4.47Å; V29-I39 HydrophobicContact CG2-CD1 4.18Å; I39-W53 HydrophobicContact CB-CZ3 4.42Å; I39-W53 HydrophobicContact CG2-CZ3 4.05Å; I39-R97 CarbonylContact O-C 3.56Å; I39-R97 VanDerWaalsContact O-CA 3.28Å; I39-R97 WeakPolarHBondContact O-CA 3.3Å; I39-L98 HydrophobicContact CB-CB 4.32Å; I39-L98 PolarHBondContact N-O 3.4Å; I39-L98 PolarHBondContact O-N 2.88Å; I39-L100 HydrophobicContact CG1-CD1 4.33Å; I39-Y111 HydrophobicContact CG1-CG 4.27Å |
| 40 | T | 94.5 | Very high | 93.6 | Very high | 46 Ų | 46 | 69.8 Ų | 69.8 | 28% | 0.282 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 140.4 | 179.9 | 59.9 | 0 | 0 | 0 | 0 | 111.4 | K27 R97 | K27-T40 PolarHBondContact NZ-OG1 3.36Å; T40-R97 HydrophobicContact CG2-CG 4.37Å |
| 41 | C | 93.4 | Very high | 93.6 | Very high | 1 Ų | 1 | 62.8 Ų | 62.8 | 1% | 0.007 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 117 | 172.8 | 175.6 | 0 | 0 | 0 | 0 | 109.6 | W53 L96 C113 | C41-W53 HydrophobicContact CB-CH2 3.38Å; C41-W53 HydrophobicContact CB-CZ2 3.73Å; C41-W53 HydrophobicContact CB-CZ3 4.22Å; C41-L96 HydrophobicContact CB-CB 4.33Å; C41-L96 PolarHBondContact N-O 3.02Å; C41-L96 PolarHBondContact O-N 3.47Å; C41-C113 HydrophobicContact CB-CB 3.6Å; C41-C113 WeakPolarHBondContact CB-SG 3.38Å; C41-C113 WeakPolarHBondContact SG-CB 3.27Å; C41-C113 CovalentContact SG-SG 2.01Å; C41-C113 PolarHBondContact SG-SG 2.87Å |
| 42 | D | 92 | Very high | 93.6 | Very high | 60 Ų | 60 | 56 Ų | 56 | 32% | 0.321 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 123 | 171.9 | -60.6 | -58.5 | 0 | 0 | 0 | 107.8 | R25 N94 N95 | R25-D42 PolarHBondContact NH1-O 3.36Å; R25-D42 VanDerWaalsContact NH2-CB 3.28Å; R25-D42 PolarHBondContact NH2-O 3.01Å; D42-N94 CarbonylContact C-O 3.57Å; D42-N94 WeakPolarHBondContact CA-O 3.35Å; D42-N95 PolarHBondContact OD1-ND2 3.15Å |
| 43 | L | 90.2 | Very high | 93.6 | Very high | 27 Ų | 27 | 48.3 Ų | 48.3 | 14% | 0.141 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -102.5 | 155.6 | 179.2 | -63.1 | 174.4 | 0 | 0 | 0 | 110.4 | I51 N94 L96 T115 | L43-I51 HydrophobicContact CD1-CB 4.47Å; L43-I51 HydrophobicContact CD1-CD1 4.37Å; L43-I51 HydrophobicContact CD1-CG1 3.42Å; L43-I51 VanDerWaalsContact CD1-CG1 3.42Å; L43-I51 HydrophobicContact CD1-CG2 4.22Å; L43-N94 HydrophobicContact CB-CB 4.26Å; L43-N94 PolarHBondContact N-O 3.34Å; L43-L96 HydrophobicContact CD1-CD1 3.97Å; L43-T115 HydrophobicContact CD1-CG2 3.77Å; L43-T115 HydrophobicContact CD2-CG2 3.93Å; L43-T115 HydrophobicContact CG-CG2 4.49Å |
| 44 | A | 89.7 | Confident | 93.6 | Very high | 68 Ų | 68 | 44.9 Ų | 44.9 | 56% | 0.562 | 27% | 0.274 | S | S | * | . | P | Polyproline II helix | trans | -67.7 | 156.7 | 173 | 0 | 0 | 0 | 0 | 0 | 109.9 | G46 S47 | A44-G46 PolarHBondContact O-N 2.94Å; A44-S47 PolarHBondContact N-OG 3.09Å; A44-S47 WeakPolarHBondContact O-CB 3.34Å; A44-S47 PolarHBondContact O-N 2.83Å; A44-S47 PolarHBondContact O-OG 2.88Å |
| 45 | E | 87.5 | Confident | 93.6 | Very high | 184 Ų | 184 | 43.1 Ų | 43.1 | 86% | 0.86 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | 139.1 | 170.2 | -170.8 | 172.6 | -172.4 | 0 | 0 | 110.2 | S47 | E45-S47 VanDerWaalsContact C-N 3.28Å; E45-S47 PolarHBondContact O-N 3.19Å |
| 46 | G | 86.7 | Confident | 93.6 | Very high | 74 Ų | 74 | 45 Ų | 45 | 76% | 0.763 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.7 | 5.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | A44 | A44-G46 PolarHBondContact O-N 2.94Š|
| 47 | S | 89.4 | Confident | 93.6 | Very high | 33 Ų | 33 | 43.2 Ų | 43.2 | 23% | 0.231 | 24% | 0.243 | C | C | . | . | trans | -57.1 | 146.5 | 172.3 | -68.3 | 0 | 0 | 0 | 0 | 112 | A44 E45 | A44-S47 PolarHBondContact N-OG 3.09Å; A44-S47 WeakPolarHBondContact O-CB 3.34Å; A44-S47 PolarHBondContact O-N 2.83Å; A44-S47 PolarHBondContact O-OG 2.88Å; E45-S47 VanDerWaalsContact C-N 3.28Å; E45-S47 PolarHBondContact O-N 3.19Å | ||
| 48 | N | 90.6 | Very high | 93.5 | Very high | 41 Ų | 41 | 51.4 Ų | 51.4 | 22% | 0.219 | 28% | 0.28 | C | S | . | . | trans | -55 | 140.1 | 175.6 | -177.4 | -42.3 | 0 | 0 | 0 | 110.7 | Y50 T115 W116 | N48-Y50 PolarHBondContact O-N 2.87Å; N48-Y50 VanDerWaalsContact O-N 3.13Å; N48-Y50 WeakPolarHBondContact OD1-CD2 3.36Å; N48-Y50 PolarHBondContact OD1-N 3.42Å; N48-T115 WeakPolarHBondContact O-CG2 3.47Å; N48-W116 WeakPolarHBondContact CB-O 3.31Å | ||
| 49 | G | 91.1 | Very high | 93.6 | Very high | 5 Ų | 5 | 52 Ų | 52 | 5% | 0.052 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -69.9 | 0.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | I51 S70 Y71 | G49-I51 WeakPolarHBondContact O-CD1 3.31Å; G49-S70 WeakPolarHBondContact CA-OG 2.94Å; G49-S70 WeakPolarHBondContact O-CB 3.46Å; G49-S70 PolarHBondContact O-N 2.75Å; G49-S70 PolarHBondContact O-OG 3.34Å; G49-Y71 PolarHBondContact N-OH 2.85Å |
| 50 | Y | 94.3 | Very high | 93.6 | Very high | 89 Ų | 89 | 55 Ų | 55 | 35% | 0.349 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 105.8 | 172.3 | -62.9 | -72.5 | 0 | 0 | 0 | 111 | N48 H52 Y67 Y68 D69 Y71 | N48-Y50 PolarHBondContact O-N 2.87Å; N48-Y50 VanDerWaalsContact O-N 3.13Å; N48-Y50 WeakPolarHBondContact OD1-CD2 3.36Å; N48-Y50 PolarHBondContact OD1-N 3.42Å; Y50-H52 PolarHBondContact O-CD2 2.96Å; Y50-Y67 AromaticContact CD1-CD2 3.97Å; Y50-Y67 HydrophobicContact CD1-CD2 3.97Å; Y50-Y67 AromaticContact CD1-CE2 3.84Å; Y50-Y67 HydrophobicContact CD1-CE2 3.84Å; Y50-Y67 HydrophobicContact CE1-CE2 4.22Å; Y50-Y68 WeakPolarHBondContact CA-O 2.89Å; Y50-D69 HydrophobicContact CD1-CB 4.02Å; Y50-D69 HydrophobicContact CE1-CB 3.8Å; Y50-D69 VanDerWaalsContact CE1-CG 3.46Å; Y50-Y71 HydrophobicContact CD2-CE2 4.34Å; Y50-Y71 HydrophobicContact CE2-CD2 4.22Å; Y50-Y71 AromaticContact CE2-CE2 3.97Å; Y50-Y71 HydrophobicContact CE2-CE2 3.97Å |
| 51 | I | 95 | Very high | 93.7 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 112.4 | -176.3 | -55.4 | 86 | 0 | 0 | 0 | 109.1 | L43 G49 Y67 Y68 L96 C113 T115 | L43-I51 HydrophobicContact CD1-CB 4.47Å; L43-I51 HydrophobicContact CD1-CD1 4.37Å; L43-I51 HydrophobicContact CD1-CG1 3.42Å; L43-I51 VanDerWaalsContact CD1-CG1 3.42Å; L43-I51 HydrophobicContact CD1-CG2 4.22Å; G49-I51 WeakPolarHBondContact O-CD1 3.31Å; I51-Y67 CarbonylContact O-C 3.56Å; I51-Y67 WeakPolarHBondContact O-CA 3.09Å; I51-Y68 HydrophobicContact CD1-CD1 3.94Å; I51-Y68 PolarHBondContact N-O 3.19Å; I51-Y68 PolarHBondContact O-N 3.11Å; I51-L96 HydrophobicContact CB-CD2 4.07Å; I51-L96 HydrophobicContact CD1-CD1 4.37Å; I51-L96 HydrophobicContact CD1-CD2 4.05Å; I51-L96 HydrophobicContact CG1-CD1 4.07Å; I51-L96 HydrophobicContact CG1-CD2 3.99Å; I51-L96 HydrophobicContact CG2-CD2 4.19Å; I51-C113 HydrophobicContact CG2-CB 4.22Å; I51-T115 HydrophobicContact CG1-CG2 4.13Å |
| 52 | H | 96.1 | Very high | 93.8 | Very high | 7 Ų | 7 | 59.4 Ų | 59.4 | 3% | 0.032 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 135.8 | -178.9 | -59.2 | -84 | 0 | 0 | 0 | 110.8 | Y50 Y54 R64 Y67 C113 A114 W116 | Y50-H52 PolarHBondContact O-CD2 2.96Å; H52-Y54 HydrophobicContact CB-CD2 4.29Å; H52-Y54 HydrophobicContact CB-CE2 3.5Å; H52-Y54 VanDerWaalsContact CB-CE2 3.5Å; H52-R64 PolarHBondContact CE1-NH1 2.62Å; H52-R64 WeakPolarHBondContact ND1-CD 3.38Å; H52-R64 PolarHBondContact ND1-NH1 3.15Å; H52-Y67 VanDerWaalsContact ND1-CB 3.32Å; H52-Y67 WeakPolarHBondContact ND1-CB 3.23Å; H52-C113 CarbonylContact O-C 3.49Å; H52-C113 VanDerWaalsContact O-CA 3.23Å; H52-C113 WeakPolarHBondContact O-CA 3.34Å; H52-A114 PolarHBondContact N-O 2.76Å; H52-A114 PolarHBondContact O-N 3.02Å; H52-W116 AromaticContact CD2-NE1 3.83Å; H52-W116 AromaticContact NE2-CE2 3.77Å; H52-W116 AromaticContact NE2-NE1 3.7Å |
| 53 | W | 97.5 | Very high | 94.1 | Very high | 1 Ų | 1 | 61.9 Ų | 61.9 | 0% | 0.004 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 132.6 | 174.1 | -73 | 102 | 0 | 0 | 0 | 110.7 | I39 C41 L65 Q66 L96 L98 C113 | I39-W53 HydrophobicContact CB-CZ3 4.42Å; I39-W53 HydrophobicContact CG2-CZ3 4.05Å; C41-W53 HydrophobicContact CB-CH2 3.38Å; C41-W53 HydrophobicContact CB-CZ2 3.73Å; C41-W53 HydrophobicContact CB-CZ3 4.22Å; W53-L65 PolarHBondContact O-N 3.05Å; W53-Q66 HydrophobicContact CB-CG 4.21Å; W53-Q66 HydrophobicContact CG-CG 4.5Å; W53-Q66 PolarHBondContact N-O 3.02Å; W53-L96 HydrophobicContact CZ2-CB 4.3Å; W53-L98 HydrophobicContact CB-CD1 4.47Å; W53-L98 HydrophobicContact CB-CD2 4.3Å; W53-L98 HydrophobicContact CD2-CB 3.85Å; W53-L98 HydrophobicContact CD2-CD1 4.06Å; W53-L98 HydrophobicContact CD2-CD2 3.97Å; W53-L98 HydrophobicContact CD2-CG 4.19Å; W53-L98 HydrophobicContact CE3-CB 3.87Å; W53-L98 HydrophobicContact CE3-CD2 3.86Å; W53-L98 HydrophobicContact CE3-CG 4.37Å; W53-L98 HydrophobicContact CG-CD1 3.92Å; W53-L98 HydrophobicContact CG-CD2 4.18Å; W53-L98 HydrophobicContact CG-CG 4.47Å; W53-L98 HydrophobicContact CH2-CB 3.69Å; W53-L98 HydrophobicContact CZ2-CB 3.73Å; W53-L98 HydrophobicContact CZ3-CB 3.79Å; W53-L98 HydrophobicContact CZ3-CD2 4.45Å; W53-C113 HydrophobicContact CD2-CB 4.19Å; W53-C113 HydrophobicContact CE3-CB 3.86Å; W53-C113 HydrophobicContact CH2-CB 4.03Å; W53-C113 HydrophobicContact CZ2-CB 4.28Å; W53-C113 HydrophobicContact CZ3-CB 3.78Å |
| 54 | Y | 97.2 | Very high | 94.4 | Very high | 45 Ų | 45 | 64.2 Ų | 64.2 | 18% | 0.176 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 148.5 | 179.4 | -66.2 | -95.7 | 0 | 0 | 0 | 111.6 | H52 Q63 R64 Y111 Y112 A114 | H52-Y54 HydrophobicContact CB-CD2 4.29Å; H52-Y54 HydrophobicContact CB-CE2 3.5Å; H52-Y54 VanDerWaalsContact CB-CE2 3.5Å; Y54-Q63 CarbonylContact C-O 3.54Å; Y54-Q63 VanDerWaalsContact CA-O 3.25Å; Y54-Q63 WeakPolarHBondContact CA-O 3.14Å; Y54-R64 HydrophobicContact CD1-CB 3.87Å; Y54-R64 HydrophobicContact CD1-CG 4.37Å; Y54-R64 HydrophobicContact CE1-CB 3.55Å; Y54-R64 HydrophobicContact CE1-CG 3.97Å; Y54-R64 HydrophobicContact CE2-CG 4.49Å; Y54-Y111 WeakPolarHBondContact O-CA 3.43Å; Y54-Y112 VanDerWaalsContact CB-CZ 3.41Å; Y54-Y112 HydrophobicContact CD2-CD2 4.11Å; Y54-Y112 AromaticContact CD2-CE2 3.59Å; Y54-Y112 HydrophobicContact CD2-CE2 3.59Å; Y54-Y112 HydrophobicContact CE2-CE2 4.41Å; Y54-Y112 HydrophobicContact CG-CD2 4.39Å; Y54-Y112 AromaticContact CG-CE2 3.67Å; Y54-Y112 HydrophobicContact CG-CE2 3.67Å; Y54-Y112 AromaticContact CG-CZ 3.76Å; Y54-Y112 PolarHBondContact N-O 3.28Å; Y54-Y112 PolarHBondContact O-N 2.99Å; Y54-A114 HydrophobicContact CE2-CB 4.29Å |
| 55 | L | 97.4 | Very high | 94.8 | Very high | 7 Ų | 7 | 61.3 Ų | 61.3 | 4% | 0.037 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 126.9 | 164.9 | 170.2 | 57.4 | 0 | 0 | 0 | 108.8 | Q57 Q63 L65 Y111 | L55-Q57 HydrophobicContact CD1-CG 3.93Å; L55-Q57 HydrophobicContact CD2-CG 4.02Å; L55-Q57 HydrophobicContact CG-CG 3.83Å; L55-Q63 PolarHBondContact N-O 2.85Å; L55-Q63 PolarHBondContact O-N 3.01Å; L55-L65 HydrophobicContact CB-CD1 4.02Å; L55-L65 HydrophobicContact CB-CD2 4.05Å; L55-L65 HydrophobicContact CB-CG 4.17Å; L55-Y111 HydrophobicContact CB-CD1 4.36Å; L55-Y111 HydrophobicContact CB-CE1 4.02Å; L55-Y111 HydrophobicContact CD1-CD1 4.4Å; L55-Y111 HydrophobicContact CD1-CD2 4.21Å; L55-Y111 HydrophobicContact CD1-CE1 3.95Å; L55-Y111 HydrophobicContact CD1-CE2 3.73Å; L55-Y111 HydrophobicContact CD2-CE1 4.42Å; L55-Y111 HydrophobicContact CG-CE1 4.34Å |
| 56 | H | 97.2 | Very high | 95.3 | Very high | 77 Ų | 77 | 52.5 Ų | 52.5 | 36% | 0.356 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 113.8 | 170 | -179 | -163.1 | 0 | 0 | 0 | 109.2 | K60 P62 G109 V110 Y112 | H56-K60 PolarHBondContact CD2-O 2.85Å; H56-K60 PolarHBondContact NE2-O 2.86Å; H56-P62 HydrophobicContact CB-CB 4.3Å; H56-P62 HydrophobicContact CB-CG 4.23Å; H56-G109 WeakPolarHBondContact O-CA 3.16Å; H56-V110 PolarHBondContact N-O 2.81Å; H56-V110 PolarHBondContact O-N 2.86Å; H56-Y112 HydrophobicContact CB-CE1 4.18Å |
| 57 | Q | 96.9 | Very high | 95.7 | Very high | 24 Ų | 24 | 51.8 Ų | 51.8 | 11% | 0.112 | 28% | 0.279 | C | S | . | . | trans | -101.4 | 150.3 | 174.4 | -53.1 | -173 | -76.4 | 0 | 0 | 109.5 | L55 G59 K60 N106 F108 | L55-Q57 HydrophobicContact CD1-CG 3.93Å; L55-Q57 HydrophobicContact CD2-CG 4.02Å; L55-Q57 HydrophobicContact CG-CG 3.83Å; Q57-G59 PolarHBondContact O-N 2.73Å; Q57-K60 HydrophobicContact CB-CB 4.44Å; Q57-K60 HydrophobicContact CB-CD 4.13Å; Q57-K60 HydrophobicContact CB-CG 4.41Å; Q57-K60 PolarHBondContact O-N 2.66Å; Q57-N106 PolarHBondContact NE2-O 2.92Å; Q57-F108 PolarHBondContact NE2-O 2.77Å; Q57-F108 VanDerWaalsContact NE2-O 3.09Å | ||
| 58 | E | 95.2 | Very high | 96 | Very high | 183 Ų | 183 | 51.5 Ų | 51.5 | 86% | 0.855 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | 132.8 | 178.5 | -170.8 | 174.7 | -175 | 0 | 0 | 111.5 | K60 | E58-K60 PolarHBondContact O-N 3.2Š|
| 59 | G | 97 | Very high | 96.2 | Very high | 87 Ų | 87 | 50.1 Ų | 50.1 | 90% | 0.897 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.8 | 2.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q57 | Q57-G59 PolarHBondContact O-N 2.73Š|
| 60 | K | 96.8 | Very high | 96.3 | Very high | 96 Ų | 96 | 50.5 Ų | 50.5 | 42% | 0.417 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -116.4 | 152 | 177.9 | -57.9 | -172.5 | -167.7 | 169.6 | 0 | 111.2 | H56 Q57 E58 | H56-K60 PolarHBondContact CD2-O 2.85Å; H56-K60 PolarHBondContact NE2-O 2.86Å; Q57-K60 HydrophobicContact CB-CB 4.44Å; Q57-K60 HydrophobicContact CB-CD 4.13Å; Q57-K60 HydrophobicContact CB-CG 4.41Å; Q57-K60 PolarHBondContact O-N 2.66Å; E58-K60 PolarHBondContact O-N 3.2Å |
| 61 | A | 96.6 | Very high | 96.2 | Very high | 77 Ų | 77 | 52.6 Ų | 52.6 | 64% | 0.636 | 28% | 0.276 | S | S | * | . | trans | -67.5 | 150.2 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q63 | A61-Q63 PolarHBondContact O-N 2.74Š| ||
| 62 | P | 96.4 | Very high | 96.2 | Very high | 62 Ų | 62 | 58 Ų | 58 | 40% | 0.403 | 31% | 0.305 | S | S | . | . | trans | -58.8 | 134.2 | 174.5 | -22.8 | 32.5 | 0 | 0 | 0 | 112.5 | H56 Y112 | H56-P62 HydrophobicContact CB-CB 4.3Å; H56-P62 HydrophobicContact CB-CG 4.23Å; P62-Y112 HydrophobicContact CB-CE1 4.35Å; P62-Y112 WeakPolarHBondContact CB-OH 3.05Å | ||
| 63 | Q | 97 | Very high | 96 | Very high | 112 Ų | 112 | 62 Ų | 62 | 52% | 0.523 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 129.6 | 177.9 | -64.8 | -175.7 | -13.1 | 0 | 0 | 109.8 | Y54 L55 A61 | Y54-Q63 CarbonylContact C-O 3.54Å; Y54-Q63 VanDerWaalsContact CA-O 3.25Å; Y54-Q63 WeakPolarHBondContact CA-O 3.14Å; L55-Q63 PolarHBondContact N-O 2.85Å; L55-Q63 PolarHBondContact O-N 3.01Å; A61-Q63 PolarHBondContact O-N 2.74Å |
| 64 | R | 97.3 | Very high | 95.9 | Very high | 76 Ų | 76 | 67.8 Ų | 67.8 | 29% | 0.287 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 133.5 | 169.8 | -166 | 162.8 | 68.9 | 178 | 1.1 | 108.4 | H52 Y54 E78 | H52-R64 PolarHBondContact CE1-NH1 2.62Å; H52-R64 WeakPolarHBondContact ND1-CD 3.38Å; H52-R64 PolarHBondContact ND1-NH1 3.15Å; Y54-R64 HydrophobicContact CD1-CB 3.87Å; Y54-R64 HydrophobicContact CD1-CG 4.37Å; Y54-R64 HydrophobicContact CE1-CB 3.55Å; Y54-R64 HydrophobicContact CE1-CG 3.97Å; Y54-R64 HydrophobicContact CE2-CG 4.49Å; R64-E78 HydrophobicContact CB-CG 4.01Å; R64-E78 HydrophobicContact CG-CG 4.04Å; R64-E78 IonicContact CZ-OE1 3.04Å; R64-E78 IonicContact NE-OE1 2.68Å; R64-E78 PolarHBondContact NE-OE1 2.76Å; R64-E78 IonicContact NH2-OE1 2.66Å; R64-E78 PolarHBondContact NH2-OE1 2.91Å; R64-E78 WeakPolarHBondContact O-CG 3.27Å |
| 65 | L | 97.7 | Very high | 95.9 | Very high | 7 Ų | 7 | 68.4 Ų | 68.4 | 4% | 0.037 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | -46.1 | 179.4 | -60.6 | 174.7 | 0 | 0 | 0 | 111 | W53 L55 E78 V81 Y86 L98 Y111 | W53-L65 PolarHBondContact O-N 3.05Å; L55-L65 HydrophobicContact CB-CD1 4.02Å; L55-L65 HydrophobicContact CB-CD2 4.05Å; L55-L65 HydrophobicContact CB-CG 4.17Å; L65-E78 WeakPolarHBondContact O-CB 3.46Å; L65-E78 PolarHBondContact O-N 2.01Å; L65-V81 HydrophobicContact CD2-CG2 4.43Å; L65-V81 WeakPolarHBondContact O-CG2 3.39Å; L65-Y86 HydrophobicContact CB-CE2 4.47Å; L65-Y86 HydrophobicContact CD1-CD1 4.14Å; L65-Y86 HydrophobicContact CD1-CD2 4.48Å; L65-Y86 HydrophobicContact CD1-CE1 3.74Å; L65-Y86 HydrophobicContact CD1-CE2 4.11Å; L65-Y86 HydrophobicContact CD1-CG 4.5Å; L65-Y86 HydrophobicContact CD2-CE2 3.89Å; L65-Y86 HydrophobicContact CG-CE2 4.39Å; L65-L98 HydrophobicContact CD1-CD2 4.31Å; L65-Y111 HydrophobicContact CD1-CD1 4.07Å; L65-Y111 HydrophobicContact CD1-CE1 3.77Å |
| 66 | Q | 97.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.2 | 168.4 | -177.4 | 62.6 | -170.4 | 35.3 | 0 | 0 | 109.6 | W53 V75 V76 L77 T88 | W53-Q66 HydrophobicContact CB-CG 4.21Å; W53-Q66 HydrophobicContact CG-CG 4.5Å; W53-Q66 PolarHBondContact N-O 3.02Å; Q66-V75 HydrophobicContact CB-CG1 4.13Å; Q66-V75 HydrophobicContact CG-CG1 4.28Å; Q66-V76 CarbonylContact C-O 3.53Å; Q66-V76 WeakPolarHBondContact CA-O 3.35Å; Q66-V76 VanDerWaalsContact CB-O 3.26Å; Q66-V76 WeakPolarHBondContact CB-O 3.01Å; Q66-L77 HydrophobicContact CB-CD2 3.93Å; Q66-T88 PolarHBondContact NE2-OG1 3.13Å |
| 67 | Y | 96.2 | Very high | 95.9 | Very high | 59 Ų | 59 | 69.3 Ų | 69.3 | 23% | 0.231 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 151.7 | 159.5 | 74.7 | -93 | 0 | 0 | 0 | 111.5 | Y50 I51 H52 D69 V75 V76 | Y50-Y67 AromaticContact CD1-CD2 3.97Å; Y50-Y67 HydrophobicContact CD1-CD2 3.97Å; Y50-Y67 AromaticContact CD1-CE2 3.84Å; Y50-Y67 HydrophobicContact CD1-CE2 3.84Å; Y50-Y67 HydrophobicContact CE1-CE2 4.22Å; I51-Y67 CarbonylContact O-C 3.56Å; I51-Y67 WeakPolarHBondContact O-CA 3.09Å; H52-Y67 VanDerWaalsContact ND1-CB 3.32Å; H52-Y67 WeakPolarHBondContact ND1-CB 3.23Å; Y67-D69 HydrophobicContact CE2-CB 4.23Å; Y67-V75 WeakPolarHBondContact O-CA 3.44Å; Y67-V76 HydrophobicContact CD1-CB 3.84Å; Y67-V76 HydrophobicContact CD1-CG1 4.19Å; Y67-V76 HydrophobicContact CD2-CB 4.47Å; Y67-V76 HydrophobicContact CE1-CB 3.4Å; Y67-V76 HydrophobicContact CE1-CG1 3.49Å; Y67-V76 VanDerWaalsContact CE1-CG1 3.49Å; Y67-V76 HydrophobicContact CE1-CG2 3.98Å; Y67-V76 HydrophobicContact CE2-CB 4.07Å; Y67-V76 HydrophobicContact CE2-CG2 3.9Å; Y67-V76 HydrophobicContact CG-CB 4.37Å; Y67-V76 PolarHBondContact N-O 3.38Å; Y67-V76 PolarHBondContact O-N 2.93Å; Y67-V76 WeakPolarHBondContact OH-CG2 3.46Å |
| 68 | Y | 95.6 | Very high | 95.9 | Very high | 27 Ų | 27 | 70.7 Ų | 70.7 | 11% | 0.106 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 119.2 | 172.1 | 176.9 | -107.1 | 0 | 0 | 0 | 109.1 | Y50 I51 K74 V75 T88 A90 L96 | Y50-Y68 WeakPolarHBondContact CA-O 2.89Å; I51-Y68 HydrophobicContact CD1-CD1 3.94Å; I51-Y68 PolarHBondContact N-O 3.19Å; I51-Y68 PolarHBondContact O-N 3.11Å; Y68-K74 WeakPolarHBondContact CA-O 3.35Å; Y68-V75 HydrophobicContact CD2-CG2 3.93Å; Y68-T88 HydrophobicContact CD1-CG2 4.46Å; Y68-T88 HydrophobicContact CD2-CG2 4.02Å; Y68-T88 HydrophobicContact CG-CG2 3.91Å; Y68-A90 HydrophobicContact CE1-CB 3.85Å; Y68-L96 HydrophobicContact CD1-CD2 3.39Å; Y68-L96 HydrophobicContact CE1-CD2 3.91Å; Y68-L96 HydrophobicContact CG-CD2 4.1Å |
| 69 | D | 95 | Very high | 95.9 | Very high | 12 Ų | 12 | 67.9 Ų | 67.9 | 6% | 0.064 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 103.4 | 168.3 | 178.1 | -13.1 | 0 | 0 | 0 | 108.3 | Y50 Y67 Y71 N72 S73 K74 | Y50-D69 HydrophobicContact CD1-CB 4.02Å; Y50-D69 HydrophobicContact CE1-CB 3.8Å; Y50-D69 VanDerWaalsContact CE1-CG 3.46Å; Y67-D69 HydrophobicContact CE2-CB 4.23Å; D69-Y71 VanDerWaalsContact C-N 3.29Å; D69-Y71 PolarHBondContact O-N 3.25Å; D69-Y71 WeakPolarHBondContact OD1-CA 3.23Å; D69-Y71 VanDerWaalsContact OD1-CB 3.31Å; D69-Y71 WeakPolarHBondContact OD1-CB 3.28Å; D69-Y71 PolarHBondContact OD1-N 2.78Å; D69-N72 PolarHBondContact OD1-N 2.9Å; D69-N72 PolarHBondContact OD2-ND2 3.43Å; D69-S73 CarbonylContact O-C 3.59Å; D69-S73 VanDerWaalsContact O-CA 3.27Å; D69-S73 WeakPolarHBondContact O-CA 3.25Å; D69-S73 PolarHBondContact O-N 2.9Å; D69-K74 HydrophobicContact CB-CB 4.38Å; D69-K74 PolarHBondContact N-O 3Å; D69-K74 PolarHBondContact O-N 3.4Å |
| 70 | S | 92.5 | Very high | 95.8 | Very high | 13 Ų | 13 | 67.9 Ų | 67.9 | 9% | 0.091 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -18.5 | 178.8 | 67.6 | 0 | 0 | 0 | 0 | 113.8 | G49 | G49-S70 WeakPolarHBondContact CA-OG 2.94Å; G49-S70 WeakPolarHBondContact O-CB 3.46Å; G49-S70 PolarHBondContact O-N 2.75Å; G49-S70 PolarHBondContact O-OG 3.34Å |
| 71 | Y | 92.4 | Very high | 95.7 | Very high | 133 Ų | 133 | 64.6 Ų | 64.6 | 52% | 0.522 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -38.8 | 176.4 | -56.3 | -74.8 | 0 | 0 | 0 | 110.7 | G49 Y50 D69 | G49-Y71 PolarHBondContact N-OH 2.85Å; Y50-Y71 HydrophobicContact CD2-CE2 4.34Å; Y50-Y71 HydrophobicContact CE2-CD2 4.22Å; Y50-Y71 AromaticContact CE2-CE2 3.97Å; Y50-Y71 HydrophobicContact CE2-CE2 3.97Å; D69-Y71 VanDerWaalsContact C-N 3.29Å; D69-Y71 PolarHBondContact O-N 3.25Å; D69-Y71 WeakPolarHBondContact OD1-CA 3.23Å; D69-Y71 VanDerWaalsContact OD1-CB 3.31Å; D69-Y71 WeakPolarHBondContact OD1-CB 3.28Å; D69-Y71 PolarHBondContact OD1-N 2.78Å |
| 72 | N | 94.6 | Very high | 95.5 | Very high | 114 Ų | 114 | 64.9 Ų | 64.9 | 61% | 0.61 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.9 | 2.7 | -179.1 | -63 | -64.8 | 0 | 0 | 0 | 114 | D69 K74 | D69-N72 PolarHBondContact OD1-N 2.9Å; D69-N72 PolarHBondContact OD2-ND2 3.43Å; N72-K74 HydrophobicContact CB-CB 4.3Å; N72-K74 PolarHBondContact O-N 3.14Å |
| 73 | S | 92.7 | Very high | 95.4 | Very high | 89 Ų | 89 | 67.3 Ų | 67.3 | 62% | 0.622 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | 42.3 | -174.3 | -63.7 | 0 | 0 | 0 | 0 | 113.3 | D69 | D69-S73 CarbonylContact O-C 3.59Å; D69-S73 VanDerWaalsContact O-CA 3.27Å; D69-S73 WeakPolarHBondContact O-CA 3.25Å; D69-S73 PolarHBondContact O-N 2.9Å |
| 74 | K | 95.3 | Very high | 95.2 | Very high | 124 Ų | 124 | 63.8 Ų | 63.8 | 54% | 0.539 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 134.7 | -170.9 | -175.8 | -179.5 | 178.2 | -175.5 | 0 | 111.4 | Y68 D69 N72 V76 | Y68-K74 WeakPolarHBondContact CA-O 3.35Å; D69-K74 HydrophobicContact CB-CB 4.38Å; D69-K74 PolarHBondContact N-O 3Å; D69-K74 PolarHBondContact O-N 3.4Å; N72-K74 HydrophobicContact CB-CB 4.3Å; N72-K74 PolarHBondContact O-N 3.14Å; K74-V76 HydrophobicContact CD-CG2 4.32Å; K74-V76 HydrophobicContact CG-CG2 4.32Å |
| 75 | V | 96.2 | Very high | 95.1 | Very high | 57 Ų | 57 | 61.7 Ų | 61.7 | 35% | 0.345 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 132.7 | 167.9 | 178.8 | 0 | 0 | 0 | 0 | 109.2 | Q66 Y67 Y68 L77 | Q66-V75 HydrophobicContact CB-CG1 4.13Å; Q66-V75 HydrophobicContact CG-CG1 4.28Å; Y67-V75 WeakPolarHBondContact O-CA 3.44Å; Y68-V75 HydrophobicContact CD2-CG2 3.93Å; V75-L77 HydrophobicContact CG1-CD2 4.13Å |
| 76 | V | 97 | Very high | 95 | Very high | 38 Ų | 38 | 62.6 Ų | 62.6 | 23% | 0.23 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 114.4 | 172.9 | -179.7 | 0 | 0 | 0 | 0 | 108.3 | Q66 Y67 K74 | Q66-V76 CarbonylContact C-O 3.53Å; Q66-V76 WeakPolarHBondContact CA-O 3.35Å; Q66-V76 VanDerWaalsContact CB-O 3.26Å; Q66-V76 WeakPolarHBondContact CB-O 3.01Å; Y67-V76 HydrophobicContact CD1-CB 3.84Å; Y67-V76 HydrophobicContact CD1-CG1 4.19Å; Y67-V76 HydrophobicContact CD2-CB 4.47Å; Y67-V76 HydrophobicContact CE1-CB 3.4Å; Y67-V76 HydrophobicContact CE1-CG1 3.49Å; Y67-V76 VanDerWaalsContact CE1-CG1 3.49Å; Y67-V76 HydrophobicContact CE1-CG2 3.98Å; Y67-V76 HydrophobicContact CE2-CB 4.07Å; Y67-V76 HydrophobicContact CE2-CG2 3.9Å; Y67-V76 HydrophobicContact CG-CB 4.37Å; Y67-V76 PolarHBondContact N-O 3.38Å; Y67-V76 PolarHBondContact O-N 2.93Å; Y67-V76 WeakPolarHBondContact OH-CG2 3.46Å; K74-V76 HydrophobicContact CD-CG2 4.32Å; K74-V76 HydrophobicContact CG-CG2 4.32Å |
| 77 | L | 97.5 | Very high | 94.9 | Very high | 65 Ų | 65 | 67.1 Ų | 67.1 | 34% | 0.34 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 144.1 | 178.8 | -61.8 | 179.3 | 0 | 0 | 0 | 110.6 | Q66 V75 V81 P83 | Q66-L77 HydrophobicContact CB-CD2 3.93Å; V75-L77 HydrophobicContact CG1-CD2 4.13Å; L77-V81 HydrophobicContact CD2-CG1 4.3Å; L77-P83 HydrophobicContact CD1-CB 4.26Å; L77-P83 HydrophobicContact CD1-CG 4.32Å |
| 78 | E | 97.3 | Very high | 94.9 | Very high | 54 Ų | 54 | 65.6 Ų | 65.6 | 25% | 0.252 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -73.7 | 154.2 | 168.3 | -72.8 | -62.5 | 157.5 | 0 | 0 | 111.9 | R64 L65 G80 V81 | R64-E78 HydrophobicContact CB-CG 4.01Å; R64-E78 HydrophobicContact CG-CG 4.04Å; R64-E78 IonicContact CZ-OE1 3.04Å; R64-E78 IonicContact NE-OE1 2.68Å; R64-E78 PolarHBondContact NE-OE1 2.76Å; R64-E78 IonicContact NH2-OE1 2.66Å; R64-E78 PolarHBondContact NH2-OE1 2.91Å; R64-E78 WeakPolarHBondContact O-CG 3.27Å; L65-E78 WeakPolarHBondContact O-CB 3.46Å; L65-E78 PolarHBondContact O-N 2.01Å; E78-G80 PolarHBondContact O-N 2.78Å; E78-V81 HydrophobicContact CB-CG2 4.09Å; E78-V81 WeakPolarHBondContact O-CB 3.28Å; E78-V81 PolarHBondContact O-N 2.92Å; E78-V81 VanDerWaalsContact O-N 3.13Å |
| 79 | S | 95.7 | Very high | 94.8 | Very high | 124 Ų | 124 | 70.5 Ų | 70.5 | 87% | 0.867 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | 131.4 | 174.6 | -66.2 | 0 | 0 | 0 | 0 | 111 | V81 | S79-V81 VanDerWaalsContact C-N 3.33Š|
| 80 | G | 93.8 | Very high | 94.7 | Very high | 86 Ų | 86 | 71.4 Ų | 71.4 | 89% | 0.887 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87 | -7.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | E78 | E78-G80 PolarHBondContact O-N 2.78Š|
| 81 | V | 94.7 | Very high | 94.6 | Very high | 27 Ų | 27 | 73.9 Ų | 73.9 | 16% | 0.164 | 43% | 0.433 | C | S | . | . | P | Polyproline II helix | trans | -81.3 | 124.4 | 173.8 | 175.3 | 0 | 0 | 0 | 0 | 110.3 | L65 L77 E78 S79 P83 Y86 | L65-V81 HydrophobicContact CD2-CG2 4.43Å; L65-V81 WeakPolarHBondContact O-CG2 3.39Å; L77-V81 HydrophobicContact CD2-CG1 4.3Å; E78-V81 HydrophobicContact CB-CG2 4.09Å; E78-V81 WeakPolarHBondContact O-CB 3.28Å; E78-V81 PolarHBondContact O-N 2.92Å; E78-V81 VanDerWaalsContact O-N 3.13Å; S79-V81 VanDerWaalsContact C-N 3.33Å; V81-P83 WeakPolarHBondContact O-CD 3.41Å; V81-Y86 HydrophobicContact CG1-CD2 3.65Å; V81-Y86 HydrophobicContact CG1-CE2 3.81Å |
| 82 | S | 93.5 | Very high | 94.3 | Very high | 83 Ų | 83 | 71.3 Ų | 71.3 | 58% | 0.58 | 43% | 0.431 | S | S | * | . | P | Polyproline II helix | trans | -64.1 | 124.2 | -179.4 | -53.3 | 0 | 0 | 0 | 0 | 111.6 | G84 K85 | S82-G84 PolarHBondContact O-N 2.91Å; S82-K85 VanDerWaalsContact O-CB 3.28Å; S82-K85 WeakPolarHBondContact O-CB 3.37Å; S82-K85 PolarHBondContact O-N 2.8Å; S82-K85 VanDerWaalsContact O-N 3.14Å |
| 83 | P | 93.6 | Very high | 93.7 | Very high | 114 Ų | 114 | 74.2 Ų | 74.2 | 74% | 0.74 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | 137 | 173.3 | -25.1 | 34.7 | 0 | 0 | 0 | 111.4 | L77 V81 K85 | L77-P83 HydrophobicContact CD1-CB 4.26Å; L77-P83 HydrophobicContact CD1-CG 4.32Å; V81-P83 WeakPolarHBondContact O-CD 3.41Å; P83-K85 VanDerWaalsContact C-N 3.27Å; P83-K85 PolarHBondContact O-N 2.99Å |
| 84 | G | 92.7 | Very high | 93.4 | Very high | 37 Ų | 37 | 72.6 Ų | 72.6 | 38% | 0.381 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.7 | 2.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | S82 Y87 | S82-G84 PolarHBondContact O-N 2.91Å; G84-Y87 WeakPolarHBondContact CA-OH 3.38Å; G84-Y87 WeakPolarHBondContact O-CE2 2.95Å; G84-Y87 PolarHBondContact O-OH 2.83Å |
| 85 | K | 94.9 | Very high | 93.2 | Very high | 33 Ų | 33 | 68.5 Ų | 68.5 | 14% | 0.143 | 40% | 0.402 | C | S | . | . | S | Bend | trans | -72.6 | -42.4 | 171.2 | -178.9 | 56.7 | -178.8 | 175.2 | 0 | 112.3 | S82 P83 R101 N102 D107 | S82-K85 VanDerWaalsContact O-CB 3.28Å; S82-K85 WeakPolarHBondContact O-CB 3.37Å; S82-K85 PolarHBondContact O-N 2.8Å; S82-K85 VanDerWaalsContact O-N 3.14Å; P83-K85 VanDerWaalsContact C-N 3.27Å; P83-K85 PolarHBondContact O-N 2.99Å; K85-R101 PolarHBondContact NZ-O 2.89Å; K85-R101 PolarHBondContact O-N 3.25Å; K85-N102 PolarHBondContact NZ-O 3.23Å; K85-D107 VanDerWaalsContact CE-CG 3.47Å; K85-D107 WeakPolarHBondContact CE-OD1 3.49Å; K85-D107 WeakPolarHBondContact CE-OD2 3.45Å; K85-D107 VanDerWaalsContact NZ-CG 3.3Å; K85-D107 IonicContact NZ-OD1 3.25Å; K85-D107 PolarHBondContact NZ-OD1 3.34Å; K85-D107 IonicContact NZ-OD2 3.24Å; K85-D107 PolarHBondContact NZ-OD2 2.88Å |
| 86 | Y | 96.4 | Very high | 93.1 | Very high | 25 Ų | 25 | 65.8 Ų | 65.8 | 10% | 0.098 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 134.9 | -175 | -56.2 | -75.6 | 0 | 0 | 0 | 110.3 | L65 V81 L98 L100 Y111 | L65-Y86 HydrophobicContact CB-CE2 4.47Å; L65-Y86 HydrophobicContact CD1-CD1 4.14Å; L65-Y86 HydrophobicContact CD1-CD2 4.48Å; L65-Y86 HydrophobicContact CD1-CE1 3.74Å; L65-Y86 HydrophobicContact CD1-CE2 4.11Å; L65-Y86 HydrophobicContact CD1-CG 4.5Å; L65-Y86 HydrophobicContact CD2-CE2 3.89Å; L65-Y86 HydrophobicContact CG-CE2 4.39Å; V81-Y86 HydrophobicContact CG1-CD2 3.65Å; V81-Y86 HydrophobicContact CG1-CE2 3.81Å; Y86-L98 HydrophobicContact CD1-CD2 4.12Å; Y86-L98 HydrophobicContact CD1-CG 4.38Å; Y86-L100 HydrophobicContact CD1-CD1 3.96Å; Y86-L100 HydrophobicContact CD1-CD2 4.49Å; Y86-L100 HydrophobicContact CD1-CG 3.74Å; Y86-L100 HydrophobicContact CE1-CD1 4.17Å; Y86-L100 HydrophobicContact CE1-CD2 3.96Å; Y86-L100 HydrophobicContact CE1-CG 3.7Å; Y86-Y111 AromaticContact CE1-CE1 3.97Å; Y86-Y111 HydrophobicContact CE1-CE1 3.97Å |
| 87 | Y | 95.9 | Very high | 93.1 | Very high | 95 Ų | 95 | 68.1 Ų | 68.1 | 37% | 0.373 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 128.1 | 175.3 | -63 | -93.5 | 0 | 0 | 0 | 109.6 | G84 I99 R101 | G84-Y87 WeakPolarHBondContact CA-OH 3.38Å; G84-Y87 WeakPolarHBondContact O-CE2 2.95Å; G84-Y87 PolarHBondContact O-OH 2.83Å; Y87-I99 PolarHBondContact N-O 3.43Å; Y87-I99 PolarHBondContact O-N 2.86Å; Y87-R101 HydrophobicContact CD2-CG 3.98Å; Y87-R101 HydrophobicContact CE2-CB 4.47Å; Y87-R101 VanDerWaalsContact CE2-CD 3.42Å; Y87-R101 HydrophobicContact CE2-CG 3.82Å |
| 88 | T | 95.3 | Very high | 93 | Very high | 28 Ų | 28 | 65 Ų | 65 | 17% | 0.172 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 128.3 | 169.3 | -61.8 | 0 | 0 | 0 | 0 | 109.3 | Q66 Y68 L96 R97 | Q66-T88 PolarHBondContact NE2-OG1 3.13Å; Y68-T88 HydrophobicContact CD1-CG2 4.46Å; Y68-T88 HydrophobicContact CD2-CG2 4.02Å; Y68-T88 HydrophobicContact CG-CG2 3.91Å; T88-L96 HydrophobicContact CG2-CD2 3.98Å; T88-R97 CarbonylContact C-O 3.59Å; T88-R97 WeakPolarHBondContact CA-O 3.47Å |
| 89 | Y | 95 | Very high | 93 | Very high | 129 Ų | 129 | 64.5 Ų | 64.5 | 51% | 0.506 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 122.9 | 164 | 176.3 | -92.3 | 0 | 0 | 0 | 109.1 | L96 R97 | Y89-L96 CarbonylContact O-C 3.48Å; Y89-L96 WeakPolarHBondContact O-CA 3.43Å; Y89-R97 PolarHBondContact N-O 3.36Å; Y89-R97 PolarHBondContact O-N 2.66Å |
| 90 | A | 92.6 | Very high | 93.1 | Very high | 32 Ų | 32 | 58.8 Ų | 58.8 | 26% | 0.264 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 114.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | Y68 L96 | Y68-A90 HydrophobicContact CE1-CB 3.85Å; A90-L96 HydrophobicContact CB-CD2 4.26Å; A90-L96 HydrophobicContact CB-CG 4.11Å |
| 91 | S | 89.2 | Confident | 93.2 | Very high | 65 Ų | 65 | 60.7 Ų | 60.7 | 46% | 0.455 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | -38.4 | 172.2 | -173.6 | 0 | 0 | 0 | 0 | 110.8 | N95 | S91-N95 WeakPolarHBondContact CB-OD1 3.2Å; S91-N95 PolarHBondContact N-O 2.81Å |
| 92 | T | 85.9 | Confident | 93.3 | Very high | 79 Ų | 79 | 64.6 Ų | 64.6 | 49% | 0.485 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 176 | 173.4 | 71.3 | 0 | 0 | 0 | 0 | 108.4 | N94 N95 | T92-N94 PolarHBondContact O-N 3.43Å; T92-N94 PolarHBondContact OG1-N 2.94Å; T92-N95 PolarHBondContact N-O 3.06Å; T92-N95 PolarHBondContact O-N 3.28Å; T92-N95 WeakPolarHBondContact OG1-CB 3.16Å; T92-N95 PolarHBondContact OG1-N 3.48Å |
| 93 | R | 81.8 | Confident | 93.5 | Very high | 175 Ų | 175 | 61.5 Ų | 61.5 | 66% | 0.66 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -26.3 | 173 | -69.8 | -173.3 | 177.9 | 177.7 | -0.6 | 113.2 | ||
| 94 | N | 86.6 | Confident | 93.7 | Very high | 54 Ų | 54 | 60.2 Ų | 60.2 | 29% | 0.289 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.7 | -2.6 | -175.6 | -55 | -20.8 | 0 | 0 | 0 | 113.1 | D42 L43 T92 | D42-N94 CarbonylContact C-O 3.57Å; D42-N94 WeakPolarHBondContact CA-O 3.35Å; L43-N94 HydrophobicContact CB-CB 4.26Å; L43-N94 PolarHBondContact N-O 3.34Å; T92-N94 PolarHBondContact O-N 3.43Å; T92-N94 PolarHBondContact OG1-N 2.94Å |
| 95 | N | 91.7 | Very high | 93.8 | Very high | 38 Ų | 38 | 66.8 Ų | 66.8 | 20% | 0.203 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 108.1 | 177.7 | -177.6 | -87.3 | 0 | 0 | 0 | 109.9 | D42 S91 T92 | D42-N95 PolarHBondContact OD1-ND2 3.15Å; S91-N95 WeakPolarHBondContact CB-OD1 3.2Å; S91-N95 PolarHBondContact N-O 2.81Å; T92-N95 PolarHBondContact N-O 3.06Å; T92-N95 PolarHBondContact O-N 3.28Å; T92-N95 WeakPolarHBondContact OG1-CB 3.16Å; T92-N95 PolarHBondContact OG1-N 3.48Å |
| 96 | L | 94.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 156.9 | -177.8 | -63.9 | 90.4 | 0 | 0 | 0 | 110.7 | C41 L43 I51 W53 Y68 T88 Y89 A90 | C41-L96 HydrophobicContact CB-CB 4.33Å; C41-L96 PolarHBondContact N-O 3.02Å; C41-L96 PolarHBondContact O-N 3.47Å; L43-L96 HydrophobicContact CD1-CD1 3.97Å; I51-L96 HydrophobicContact CB-CD2 4.07Å; I51-L96 HydrophobicContact CD1-CD1 4.37Å; I51-L96 HydrophobicContact CD1-CD2 4.05Å; I51-L96 HydrophobicContact CG1-CD1 4.07Å; I51-L96 HydrophobicContact CG1-CD2 3.99Å; I51-L96 HydrophobicContact CG2-CD2 4.19Å; W53-L96 HydrophobicContact CZ2-CB 4.3Å; Y68-L96 HydrophobicContact CD1-CD2 3.39Å; Y68-L96 HydrophobicContact CE1-CD2 3.91Å; Y68-L96 HydrophobicContact CG-CD2 4.1Å; T88-L96 HydrophobicContact CG2-CD2 3.98Å; Y89-L96 CarbonylContact O-C 3.48Å; Y89-L96 WeakPolarHBondContact O-CA 3.43Å; A90-L96 HydrophobicContact CB-CD2 4.26Å; A90-L96 HydrophobicContact CB-CG 4.11Å |
| 97 | R | 95.8 | Very high | 93.7 | Very high | 87 Ų | 87 | 69.1 Ų | 69.1 | 33% | 0.328 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 133.4 | 177.2 | -64.8 | 163.3 | -176.8 | -147.3 | 13.1 | 109.1 | E38 I39 T40 T88 Y89 | E38-R97 HydrophobicContact CG-CB 4.05Å; E38-R97 HydrophobicContact CG-CG 4.23Å; E38-R97 WeakPolarHBondContact OE1-CD 3.33Å; E38-R97 WeakPolarHBondContact OE1-CG 3.42Å; E38-R97 IonicContact OE1-CZ 3.43Å; E38-R97 VanDerWaalsContact OE1-CZ 3.24Å; E38-R97 IonicContact OE1-NE 2.75Å; E38-R97 PolarHBondContact OE1-NE 2.68Å; E38-R97 IonicContact OE1-NH1 3.2Å; E38-R97 PolarHBondContact OE1-NH1 3.17Å; E38-R97 IonicContact OE2-NH1 2.66Å; E38-R97 PolarHBondContact OE2-NH1 3.33Å; I39-R97 CarbonylContact O-C 3.56Å; I39-R97 VanDerWaalsContact O-CA 3.28Å; I39-R97 WeakPolarHBondContact O-CA 3.3Å; T40-R97 HydrophobicContact CG2-CG 4.37Å; T88-R97 CarbonylContact C-O 3.59Å; T88-R97 WeakPolarHBondContact CA-O 3.47Å; Y89-R97 PolarHBondContact N-O 3.36Å; Y89-R97 PolarHBondContact O-N 2.66Å |
| 98 | L | 97.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 119.1 | 166 | -168.2 | 70.5 | 0 | 0 | 0 | 108.3 | E38 I39 W53 L65 Y86 L100 Y111 | E38-L98 WeakPolarHBondContact CA-O 3.42Å; I39-L98 HydrophobicContact CB-CB 4.32Å; I39-L98 PolarHBondContact N-O 3.4Å; I39-L98 PolarHBondContact O-N 2.88Å; W53-L98 HydrophobicContact CB-CD1 4.47Å; W53-L98 HydrophobicContact CB-CD2 4.3Å; W53-L98 HydrophobicContact CD2-CB 3.85Å; W53-L98 HydrophobicContact CD2-CD1 4.06Å; W53-L98 HydrophobicContact CD2-CD2 3.97Å; W53-L98 HydrophobicContact CD2-CG 4.19Å; W53-L98 HydrophobicContact CE3-CB 3.87Å; W53-L98 HydrophobicContact CE3-CD2 3.86Å; W53-L98 HydrophobicContact CE3-CG 4.37Å; W53-L98 HydrophobicContact CG-CD1 3.92Å; W53-L98 HydrophobicContact CG-CD2 4.18Å; W53-L98 HydrophobicContact CG-CG 4.47Å; W53-L98 HydrophobicContact CH2-CB 3.69Å; W53-L98 HydrophobicContact CZ2-CB 3.73Å; W53-L98 HydrophobicContact CZ3-CB 3.79Å; W53-L98 HydrophobicContact CZ3-CD2 4.45Å; L65-L98 HydrophobicContact CD1-CD2 4.31Å; Y86-L98 HydrophobicContact CD1-CD2 4.12Å; Y86-L98 HydrophobicContact CD1-CG 4.38Å; L98-L100 HydrophobicContact CD2-CD1 3.89Å; L98-L100 HydrophobicContact CG-CD1 3.95Å; L98-Y111 HydrophobicContact CD2-CD1 3.93Å; L98-Y111 HydrophobicContact CD2-CE1 4.4Å |
| 99 | I | 97.4 | Very high | 93.8 | Very high | 44 Ų | 44 | 72.4 Ų | 72.4 | 23% | 0.226 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 117.1 | 177.8 | -56 | 167.8 | 0 | 0 | 0 | 108 | A37 E38 Y87 R101 | A37-I99 WeakPolarHBondContact O-CA 3.49Å; E38-I99 HydrophobicContact CG-CG1 4.38Å; Y87-I99 PolarHBondContact N-O 3.43Å; Y87-I99 PolarHBondContact O-N 2.86Å; I99-R101 HydrophobicContact CG2-CG 4.47Å |
| 100 | L | 97.5 | Very high | 93.9 | Very high | 3 Ų | 3 | 70.4 Ų | 70.4 | 2% | 0.016 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 132.3 | 171.6 | -77.5 | 71.8 | 0 | 0 | 0 | 108.5 | S36 A37 I39 Y86 L98 L103 D107 Y111 | S36-L100 CarbonylContact C-O 3.55Å; S36-L100 WeakPolarHBondContact CA-O 3.42Å; S36-L100 VanDerWaalsContact CB-O 3.23Å; S36-L100 WeakPolarHBondContact CB-O 3.32Å; A37-L100 HydrophobicContact CB-CB 4.42Å; A37-L100 PolarHBondContact N-O 3.27Å; A37-L100 PolarHBondContact O-N 2.79Å; I39-L100 HydrophobicContact CG1-CD1 4.33Å; Y86-L100 HydrophobicContact CD1-CD1 3.96Å; Y86-L100 HydrophobicContact CD1-CD2 4.49Å; Y86-L100 HydrophobicContact CD1-CG 3.74Å; Y86-L100 HydrophobicContact CE1-CD1 4.17Å; Y86-L100 HydrophobicContact CE1-CD2 3.96Å; Y86-L100 HydrophobicContact CE1-CG 3.7Å; L98-L100 HydrophobicContact CD2-CD1 3.89Å; L98-L100 HydrophobicContact CG-CD1 3.95Å; L100-L103 HydrophobicContact CB-CD2 3.81Å; L100-L103 HydrophobicContact CD2-CD2 3.89Å; L100-D107 HydrophobicContact CD2-CB 4.2Å; L100-Y111 HydrophobicContact CD1-CE1 4.33Å; L100-Y111 HydrophobicContact CD2-CE1 3.99Å; L100-Y111 HydrophobicContact CD2-CE2 4.07Å; L100-Y111 WeakPolarHBondContact CD2-OH 3.47Å |
| 101 | R | 95.7 | Very high | 94.1 | Very high | 127 Ų | 127 | 70.3 Ų | 70.3 | 48% | 0.479 | 35% | 0.347 | S | S | . | . | trans | -111.5 | 153.9 | 173.8 | -62.4 | -166.6 | -175.8 | -165.2 | -3.8 | 111.3 | K85 Y87 I99 | K85-R101 PolarHBondContact NZ-O 2.89Å; K85-R101 PolarHBondContact O-N 3.25Å; Y87-R101 HydrophobicContact CD2-CG 3.98Å; Y87-R101 HydrophobicContact CE2-CB 4.47Å; Y87-R101 VanDerWaalsContact CE2-CD 3.42Å; Y87-R101 HydrophobicContact CE2-CG 3.82Å; I99-R101 HydrophobicContact CG2-CG 4.47Å | ||
| 102 | N | 96.5 | Very high | 94.3 | Very high | 109 Ų | 109 | 71.1 Ų | 71.1 | 58% | 0.583 | 34% | 0.341 | S | S | * | . | S | Bend | trans | 49.2 | 64.7 | 176.8 | -171.4 | 35.1 | 0 | 0 | 0 | 111 | S35 K85 | S35-N102 PolarHBondContact O-N 3.18Å; S35-N102 VanDerWaalsContact O-N 3.15Å; K85-N102 PolarHBondContact NZ-O 3.23Å |
| 103 | L | 97.7 | Very high | 94.8 | Very high | 18 Ų | 18 | 68.8 Ų | 68.8 | 9% | 0.094 | 33% | 0.328 | C | S | . | . | trans | -58.7 | 137.9 | -175.3 | -71.7 | 169 | 0 | 0 | 0 | 111.7 | R31 T33 G34 S35 A37 L100 D107 | R31-L103 HydrophobicContact CB-CD1 3.36Å; R31-L103 HydrophobicContact CG-CD1 4.13Å; T33-L103 CarbonylContact C-O 3.52Å; T33-L103 WeakPolarHBondContact CA-O 3.47Å; T33-L103 VanDerWaalsContact CG2-O 3.3Å; T33-L103 WeakPolarHBondContact CG2-O 3.41Å; G34-L103 PolarHBondContact N-O 3.01Å; S35-L103 WeakPolarHBondContact O-CG 3.06Å; S35-L103 PolarHBondContact O-N 3.41Å; A37-L103 HydrophobicContact CB-CD1 3.88Å; A37-L103 HydrophobicContact CB-CD2 4.16Å; L100-L103 HydrophobicContact CB-CD2 3.81Å; L100-L103 HydrophobicContact CD2-CD2 3.89Å; L103-D107 VanDerWaalsContact CA-OD2 3.27Å; L103-D107 WeakPolarHBondContact CA-OD2 3.45Å; L103-D107 HydrophobicContact CD2-CB 4.03Å | ||
| 104 | I | 96.7 | Very high | 95.3 | Very high | 86 Ų | 86 | 62 Ų | 62 | 44% | 0.441 | 31% | 0.309 | S | S | . | . | trans | -127.9 | 166.5 | 173.3 | 60.5 | 169.7 | 0 | 0 | 0 | 109.5 | N106 D107 | I104-N106 HydrophobicContact CD1-CB 4.04Å; I104-N106 HydrophobicContact CG1-CB 4.31Å; I104-N106 PolarHBondContact O-N 2.78Å; I104-D107 WeakPolarHBondContact CG1-OD2 3.49Å; I104-D107 PolarHBondContact N-OD2 3.19Å; I104-D107 WeakPolarHBondContact O-CB 3.41Å; I104-D107 PolarHBondContact O-N 2.87Å | ||
| 105 | E | 95 | Very high | 95.7 | Very high | 176 Ų | 176 | 61.1 Ų | 61.1 | 82% | 0.822 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -56 | -36 | -179.9 | -171.6 | 178 | -178.2 | 0 | 0 | 112.9 | D107 F108 | E105-D107 PolarHBondContact O-N 2.93Å; E105-D107 VanDerWaalsContact O-N 3.15Å; E105-F108 WeakPolarHBondContact O-CB 3.26Å; E105-F108 PolarHBondContact O-N 3.48Å |
| 106 | N | 94.3 | Very high | 95.6 | Very high | 93 Ų | 93 | 66.8 Ų | 66.8 | 50% | 0.497 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -69.6 | -7.5 | 177.8 | -170.4 | 68.3 | 0 | 0 | 0 | 114.2 | Q57 I104 | Q57-N106 PolarHBondContact NE2-O 2.92Å; I104-N106 HydrophobicContact CD1-CB 4.04Å; I104-N106 HydrophobicContact CG1-CB 4.31Å; I104-N106 PolarHBondContact O-N 2.78Å |
| 107 | D | 96.6 | Very high | 94.9 | Very high | 13 Ų | 13 | 74.7 Ų | 74.7 | 7% | 0.07 | 37% | 0.366 | C | S | . | . | G | 310 helix | trans | -82.8 | -3.4 | 170.1 | -58.2 | -41.3 | 0 | 0 | 0 | 112.4 | K85 L100 L103 I104 E105 G109 Y111 | K85-D107 VanDerWaalsContact CE-CG 3.47Å; K85-D107 WeakPolarHBondContact CE-OD1 3.49Å; K85-D107 WeakPolarHBondContact CE-OD2 3.45Å; K85-D107 VanDerWaalsContact NZ-CG 3.3Å; K85-D107 IonicContact NZ-OD1 3.25Å; K85-D107 PolarHBondContact NZ-OD1 3.34Å; K85-D107 IonicContact NZ-OD2 3.24Å; K85-D107 PolarHBondContact NZ-OD2 2.88Å; L100-D107 HydrophobicContact CD2-CB 4.2Å; L103-D107 VanDerWaalsContact CA-OD2 3.27Å; L103-D107 WeakPolarHBondContact CA-OD2 3.45Å; L103-D107 HydrophobicContact CD2-CB 4.03Å; I104-D107 WeakPolarHBondContact CG1-OD2 3.49Å; I104-D107 PolarHBondContact N-OD2 3.19Å; I104-D107 WeakPolarHBondContact O-CB 3.41Å; I104-D107 PolarHBondContact O-N 2.87Å; E105-D107 PolarHBondContact O-N 2.93Å; E105-D107 VanDerWaalsContact O-N 3.15Å; D107-G109 PolarHBondContact O-N 3.13Å; D107-Y111 WeakPolarHBondContact O-CE2 3.32Å; D107-Y111 PolarHBondContact O-OH 2.87Å |
| 108 | F | 96.6 | Very high | 93.3 | Very high | 165 Ų | 165 | 77 Ų | 77 | 72% | 0.724 | 42% | 0.418 | S | S | * | . | trans | -67.6 | 127.3 | 175.9 | -174.8 | -97.8 | 0 | 0 | 0 | 110.6 | Q57 E105 | Q57-F108 PolarHBondContact NE2-O 2.77Å; Q57-F108 VanDerWaalsContact NE2-O 3.09Å; E105-F108 WeakPolarHBondContact O-CB 3.26Å; E105-F108 PolarHBondContact O-N 3.48Å | ||
| 109 | G | 96.4 | Very high | 93.1 | Very high | 27 Ų | 27 | 80.9 Ų | 80.9 | 28% | 0.278 | 44% | 0.439 | S | S | . | . | S | Bend | trans | 160.9 | -175.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | H56 D107 | H56-G109 WeakPolarHBondContact O-CA 3.16Å; D107-G109 PolarHBondContact O-N 3.13Å |
| 110 | V | 96.2 | Very high | 92.9 | Very high | 87 Ų | 87 | 82.8 Ų | 82.8 | 53% | 0.527 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 122.9 | 176.5 | -178.5 | 0 | 0 | 0 | 0 | 109 | H56 | H56-V110 PolarHBondContact N-O 2.81Å; H56-V110 PolarHBondContact O-N 2.86Å |
| 111 | Y | 96.9 | Very high | 92.7 | Very high | 30 Ų | 30 | 87.3 Ų | 87.3 | 12% | 0.118 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 133.1 | 173.2 | -68.4 | -95.7 | 0 | 0 | 0 | 109.7 | I39 Y54 L55 L65 Y86 L98 L100 D107 | I39-Y111 HydrophobicContact CG1-CG 4.27Å; Y54-Y111 WeakPolarHBondContact O-CA 3.43Å; L55-Y111 HydrophobicContact CB-CD1 4.36Å; L55-Y111 HydrophobicContact CB-CE1 4.02Å; L55-Y111 HydrophobicContact CD1-CD1 4.4Å; L55-Y111 HydrophobicContact CD1-CD2 4.21Å; L55-Y111 HydrophobicContact CD1-CE1 3.95Å; L55-Y111 HydrophobicContact CD1-CE2 3.73Å; L55-Y111 HydrophobicContact CD2-CE1 4.42Å; L55-Y111 HydrophobicContact CG-CE1 4.34Å; L65-Y111 HydrophobicContact CD1-CD1 4.07Å; L65-Y111 HydrophobicContact CD1-CE1 3.77Å; Y86-Y111 AromaticContact CE1-CE1 3.97Å; Y86-Y111 HydrophobicContact CE1-CE1 3.97Å; L98-Y111 HydrophobicContact CD2-CD1 3.93Å; L98-Y111 HydrophobicContact CD2-CE1 4.4Å; L100-Y111 HydrophobicContact CD1-CE1 4.33Å; L100-Y111 HydrophobicContact CD2-CE1 3.99Å; L100-Y111 HydrophobicContact CD2-CE2 4.07Å; L100-Y111 WeakPolarHBondContact CD2-OH 3.47Å; D107-Y111 WeakPolarHBondContact O-CE2 3.32Å; D107-Y111 PolarHBondContact O-OH 2.87Å |
| 112 | Y | 94.2 | Very high | 92.5 | Very high | 82 Ų | 82 | 84.9 Ų | 84.9 | 32% | 0.322 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 149.6 | 172.3 | 61.8 | -89.2 | 0 | 0 | 0 | 111.1 | Y54 H56 P62 | Y54-Y112 VanDerWaalsContact CB-CZ 3.41Å; Y54-Y112 HydrophobicContact CD2-CD2 4.11Å; Y54-Y112 AromaticContact CD2-CE2 3.59Å; Y54-Y112 HydrophobicContact CD2-CE2 3.59Å; Y54-Y112 HydrophobicContact CE2-CE2 4.41Å; Y54-Y112 HydrophobicContact CG-CD2 4.39Å; Y54-Y112 AromaticContact CG-CE2 3.67Å; Y54-Y112 HydrophobicContact CG-CE2 3.67Å; Y54-Y112 AromaticContact CG-CZ 3.76Å; Y54-Y112 PolarHBondContact N-O 3.28Å; Y54-Y112 PolarHBondContact O-N 2.99Å; H56-Y112 HydrophobicContact CB-CE1 4.18Å; P62-Y112 HydrophobicContact CB-CE1 4.35Å; P62-Y112 WeakPolarHBondContact CB-OH 3.05Å |
| 113 | C | 94.9 | Very high | 92.2 | Very high | 31 Ų | 31 | 83.4 Ų | 83.4 | 21% | 0.209 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 150.3 | 170.3 | 65.7 | 0 | 0 | 0 | 0 | 110.1 | C41 I51 H52 W53 | C41-C113 HydrophobicContact CB-CB 3.6Å; C41-C113 WeakPolarHBondContact CB-SG 3.38Å; C41-C113 WeakPolarHBondContact SG-CB 3.27Å; C41-C113 CovalentContact SG-SG 2.01Å; C41-C113 PolarHBondContact SG-SG 2.87Å; I51-C113 HydrophobicContact CG2-CB 4.22Å; H52-C113 CarbonylContact O-C 3.49Å; H52-C113 VanDerWaalsContact O-CA 3.23Å; H52-C113 WeakPolarHBondContact O-CA 3.34Å; W53-C113 HydrophobicContact CD2-CB 4.19Å; W53-C113 HydrophobicContact CE3-CB 3.86Å; W53-C113 HydrophobicContact CH2-CB 4.03Å; W53-C113 HydrophobicContact CZ2-CB 4.28Å; W53-C113 HydrophobicContact CZ3-CB 3.78Å |
| 114 | A | 94 | Very high | 91.9 | Very high | 33 Ų | 33 | 87.8 Ų | 87.8 | 27% | 0.273 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 152.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111 | H52 Y54 | H52-A114 PolarHBondContact N-O 2.76Å; H52-A114 PolarHBondContact O-N 3.02Å; Y54-A114 HydrophobicContact CE2-CB 4.29Å |
| 115 | T | 94 | Very high | 91.5 | Very high | 34 Ų | 34 | 87.9 Ų | 87.9 | 21% | 0.209 | 50% | 0.496 | C | S | . | . | trans | -119.3 | 153 | 166.9 | 57.4 | 0 | 0 | 0 | 0 | 108 | L43 N48 I51 | L43-T115 HydrophobicContact CD1-CG2 3.77Å; L43-T115 HydrophobicContact CD2-CG2 3.93Å; L43-T115 HydrophobicContact CG-CG2 4.49Å; N48-T115 WeakPolarHBondContact O-CG2 3.47Å; I51-T115 HydrophobicContact CG1-CG2 4.13Å | ||
| 116 | W | 89.1 | Confident | 91.3 | Very high | 158 Ų | 158 | 81.2 Ų | 81.2 | 60% | 0.598 | 47% | 0.471 | S | S | * | . | trans | -76.5 | 149.3 | 170.5 | -61.1 | -10.1 | 0 | 0 | 0 | 110 | N48 H52 G118 | N48-W116 WeakPolarHBondContact CB-O 3.31Å; H52-W116 AromaticContact CD2-NE1 3.83Å; H52-W116 AromaticContact NE2-CE2 3.77Å; H52-W116 AromaticContact NE2-NE1 3.7Å; W116-G118 PolarHBondContact O-N 3.06Å | ||
| 117 | D | 80.8 | Confident | 91 | Very high | 165 Ų | 165 | 80.2 Ų | 80.2 | 88% | 0.882 | 47% | 0.469 | S | S | * | . | trans | -58.2 | 129 | 166.9 | -63.9 | -26.8 | 0 | 0 | 0 | 107.8 | ||||
| 118 | G | 62.4 | Low | 90.5 | Very high | 137 Ų | 137 | 86.3 Ų | 86.3 | 100% | 1.412 | 51% | 0.505 | S | S | * | . | trans | -82.7 | 0 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | W116 | W116-G118 PolarHBondContact O-N 3.06Š|
Retrieved 118 of 118 residues in 58 ms
(Link to these results)