| 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 | 43.9 | Very low | 45.5 | Very low | 211 Ų | 211 | 131.3 Ų | 131.3 | 100% | 1.039 | 66% | 0.656 | S | S | * | * | 0 | -24.3 | 0 | -141.4 | 165.8 | -94.1 | 0 | 0 | 113.5 | T4 | M1-T4 PolarHBondContact O-OG1 3.46Š| |||
| 2 | A | 40.7 | Very low | 45.7 | Very low | 72 Ų | 72 | 127.9 Ų | 127.9 | 60% | 0.595 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -75 | -24.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | R6 | A2-R6 PolarHBondContact O-N 3.01Å |
| 3 | W | 35 | Very low | 46 | Very low | 212 Ų | 212 | 127 Ų | 127 | 80% | 0.803 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -73 | -33.4 | -177.2 | -74 | 80.4 | 0 | 0 | 0 | 113.6 | V5 R6 L7 | W3-V5 VanDerWaalsContact C-N 3.33Å; W3-R6 PolarHBondContact O-N 3.11Å; W3-L7 PolarHBondContact O-N 3Å |
| 4 | T | 40 | Very low | 46.1 | Very low | 88 Ų | 88 | 129.7 Ų | 129.7 | 54% | 0.54 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -68.4 | -34.6 | 176.7 | 43.6 | 0 | 0 | 0 | 0 | 111.6 | M1 L7 L8 | M1-T4 PolarHBondContact O-OG1 3.46Å; T4-L7 PolarHBondContact O-N 3.39Å; T4-L8 WeakPolarHBondContact O-CD1 3.4Å; T4-L8 PolarHBondContact O-N 3.4Å; T4-L8 VanDerWaalsContact O-N 3.11Å |
| 5 | V | 51.6 | Low | 46.1 | Very low | 87 Ų | 87 | 131.7 Ų | 131.7 | 53% | 0.527 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -67.3 | -38.8 | 176.6 | -174.2 | 0 | 0 | 0 | 0 | 111.3 | W3 L8 W9 | W3-V5 VanDerWaalsContact C-N 3.33Å; V5-L8 PolarHBondContact O-N 3.43Å; V5-W9 WeakPolarHBondContact O-CB 3.46Å; V5-W9 PolarHBondContact O-N 3.44Å |
| 6 | R | 50.4 | Low | 45.9 | Very low | 189 Ų | 189 | 132.8 Ų | 132.8 | 71% | 0.713 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -62.2 | -41.1 | 175.4 | -90.6 | -177.9 | 173.2 | -114.5 | 0.9 | 113.3 | A2 W3 W9 L10 | A2-R6 PolarHBondContact O-N 3.01Å; W3-R6 PolarHBondContact O-N 3.11Å; R6-W9 PolarHBondContact O-N 3Å; R6-L10 WeakPolarHBondContact O-CG 3.31Å; R6-L10 PolarHBondContact O-N 3.34Å |
| 7 | L | 46.2 | Very low | 46.2 | Very low | 120 Ų | 120 | 131.9 Ų | 131.9 | 63% | 0.628 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -71 | -39.1 | 178.1 | -82.1 | 150.6 | 0 | 0 | 0 | 112.3 | W3 T4 W9 L10 A11 | W3-L7 PolarHBondContact O-N 3Å; T4-L7 PolarHBondContact O-N 3.39Å; L7-W9 VanDerWaalsContact C-N 3.27Å; L7-W9 PolarHBondContact O-N 3.22Å; L7-L10 PolarHBondContact O-N 3.05Å; L7-A11 WeakPolarHBondContact O-CB 3.48Å; L7-A11 PolarHBondContact O-N 3.4Å |
| 8 | L | 48.6 | Very low | 46.6 | Very low | 114 Ų | 114 | 128.6 Ų | 128.6 | 60% | 0.597 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -63.6 | -32.4 | 172.5 | -83.2 | 154.9 | 0 | 0 | 0 | 112.5 | T4 V5 N12 | T4-L8 WeakPolarHBondContact O-CD1 3.4Å; T4-L8 PolarHBondContact O-N 3.4Å; T4-L8 VanDerWaalsContact O-N 3.11Å; V5-L8 PolarHBondContact O-N 3.43Å; L8-N12 PolarHBondContact O-N 3.21Å; L8-N12 PolarHBondContact O-ND2 2.94Å |
| 9 | W | 47.5 | Very low | 46.8 | Very low | 173 Ų | 173 | 128.3 Ų | 128.3 | 66% | 0.655 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -71.5 | -44.7 | 174.5 | -118.2 | 82.7 | 0 | 0 | 0 | 112.7 | V5 R6 L7 A11 N12 L13 | V5-W9 WeakPolarHBondContact O-CB 3.46Å; V5-W9 PolarHBondContact O-N 3.44Å; R6-W9 PolarHBondContact O-N 3Å; L7-W9 VanDerWaalsContact C-N 3.27Å; L7-W9 PolarHBondContact O-N 3.22Å; W9-A11 PolarHBondContact O-N 3.26Å; W9-N12 PolarHBondContact O-N 3.4Å; W9-L13 HydrophobicContact CE3-CD1 4.46Å; W9-L13 HydrophobicContact CZ3-CD1 4.25Å; W9-L13 PolarHBondContact O-N 3.2Å |
| 10 | L | 48.5 | Very low | 47.2 | Very low | 116 Ų | 116 | 127 Ų | 127 | 61% | 0.607 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -63.4 | -40.2 | 176.2 | -74.7 | 163.4 | 0 | 0 | 0 | 111.9 | R6 L7 N12 L13 | R6-L10 WeakPolarHBondContact O-CG 3.31Å; R6-L10 PolarHBondContact O-N 3.34Å; L7-L10 PolarHBondContact O-N 3.05Å; L10-N12 VanDerWaalsContact C-N 3.34Å; L10-N12 PolarHBondContact O-N 3.32Å; L10-L13 PolarHBondContact O-N 3.48Å |
| 11 | A | 48.2 | Very low | 47.8 | Very low | 62 Ų | 62 | 126 Ų | 126 | 51% | 0.512 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -66.7 | -32.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | L7 W9 | L7-A11 WeakPolarHBondContact O-CB 3.48Å; L7-A11 PolarHBondContact O-N 3.4Å; W9-A11 PolarHBondContact O-N 3.26Å |
| 12 | N | 48.2 | Very low | 48.5 | Very low | 91 Ų | 91 | 124.1 Ų | 124.1 | 49% | 0.487 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -75.1 | -24.4 | 175.9 | -91.9 | -77.4 | 0 | 0 | 0 | 113.5 | L8 W9 L10 Q14 Q15 M16 | L8-N12 PolarHBondContact O-N 3.21Å; L8-N12 PolarHBondContact O-ND2 2.94Å; W9-N12 PolarHBondContact O-N 3.4Å; L10-N12 VanDerWaalsContact C-N 3.34Å; L10-N12 PolarHBondContact O-N 3.32Å; N12-Q14 VanDerWaalsContact C-N 3.25Å; N12-Q14 PolarHBondContact O-N 3.31Å; N12-Q15 PolarHBondContact O-N 3.49Å; N12-M16 WeakPolarHBondContact O-CG 3.36Å |
| 13 | L | 48.5 | Very low | 49.4 | Very low | 116 Ų | 116 | 131.8 Ų | 131.8 | 61% | 0.607 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -66.7 | -27.4 | 179.9 | -143.4 | 80.1 | 0 | 0 | 0 | 112.6 | W9 L10 | W9-L13 HydrophobicContact CE3-CD1 4.46Å; W9-L13 HydrophobicContact CZ3-CD1 4.25Å; W9-L13 PolarHBondContact O-N 3.2Å; L10-L13 PolarHBondContact O-N 3.48Å |
| 14 | Q | 47.8 | Very low | 50.8 | Low | 165 Ų | 165 | 125.7 Ų | 125.7 | 77% | 0.771 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -15.2 | 178.6 | -68.4 | -177.4 | -100.8 | 0 | 0 | 113.7 | N12 | N12-Q14 VanDerWaalsContact C-N 3.25Å; N12-Q14 PolarHBondContact O-N 3.31Å |
| 15 | Q | 45.6 | Very low | 52 | Low | 159 Ų | 159 | 127.2 Ų | 127.2 | 74% | 0.743 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | -14.6 | -175.8 | -153.1 | 74.4 | 42.9 | 0 | 0 | 113.8 | N12 S17 | N12-Q15 PolarHBondContact O-N 3.49Å; Q15-S17 PolarHBondContact O-N 3.26Å |
| 16 | M | 44.2 | Very low | 52.9 | Low | 150 Ų | 150 | 128.8 Ų | 128.8 | 74% | 0.739 | 66% | 0.662 | S | S | * | * | trans | -92.2 | 15.4 | -171.5 | -62.2 | 176.8 | 110.3 | 0 | 0 | 114.5 | N12 A18 | N12-M16 WeakPolarHBondContact O-CG 3.36Å; M16-A18 PolarHBondContact O-N 3.33Å | ||
| 17 | S | 49.5 | Very low | 53.9 | Low | 117 Ų | 117 | 123.3 Ų | 123.3 | 82% | 0.818 | 65% | 0.651 | S | S | * | * | trans | -80.1 | 10.3 | -179.9 | 67.1 | 0 | 0 | 0 | 0 | 114.9 | Q15 | Q15-S17 PolarHBondContact O-N 3.26Š| ||
| 18 | A | 55 | Low | 55.3 | Low | 73 Ų | 73 | 121.9 Ų | 121.9 | 60% | 0.603 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -121.3 | 126.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | M16 | M16-A18 PolarHBondContact O-N 3.33Š|
| 19 | T | 49.3 | Very low | 56.6 | Low | 123 Ų | 123 | 121.4 Ų | 121.4 | 76% | 0.755 | 64% | 0.644 | S | S | * | * | trans | 91.1 | 88.4 | 174.6 | 74.5 | 0 | 0 | 0 | 0 | 116.1 | N21 | T19-N21 PolarHBondContact O-N 3.43Š| ||
| 20 | S | 56.1 | Low | 57.9 | Low | 101 Ų | 101 | 117.7 Ų | 117.7 | 71% | 0.706 | 64% | 0.637 | S | S | * | * | trans | -72.7 | 102.6 | 172.8 | -178.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 21 | N | 58.6 | Low | 59.2 | Low | 107 Ų | 107 | 115 Ų | 115 | 57% | 0.572 | 63% | 0.632 | S | S | * | * | trans | -108.8 | 98.3 | 162.3 | -83.5 | -56.1 | 0 | 0 | 0 | 108.9 | T19 R23 V24 F25 | T19-N21 PolarHBondContact O-N 3.43Å; N21-R23 PolarHBondContact O-N 2.8Å; N21-V24 HydrophobicContact CB-CG2 4.27Å; N21-V24 PolarHBondContact O-N 3.37Å; N21-F25 VanDerWaalsContact O-CD2 3.23Å; N21-F25 WeakPolarHBondContact O-CD2 3.39Å | ||
| 22 | M | 58.4 | Low | 60.5 | Low | 171 Ų | 171 | 113.9 Ų | 113.9 | 84% | 0.842 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.8 | -15.9 | -172.4 | -152.2 | 176.5 | -165.1 | 0 | 0 | 115.1 | ||
| 23 | R | 60.6 | Low | 61.6 | Low | 233 Ų | 233 | 114.9 Ų | 114.9 | 88% | 0.879 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | -19.5 | -179.1 | -64.7 | -177 | 169.6 | -170.6 | -3.9 | 114.4 | N21 P27 | N21-R23 PolarHBondContact O-N 2.8Å; R23-P27 WeakPolarHBondContact O-CD 3.44Å |
| 24 | V | 63.8 | Low | 62.7 | Low | 84 Ų | 84 | 116.3 Ų | 116.3 | 51% | 0.509 | 64% | 0.635 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -99.5 | -22.9 | -174.4 | -169.2 | 0 | 0 | 0 | 0 | 111.8 | N21 L26 P27 V28 | N21-V24 HydrophobicContact CB-CG2 4.27Å; N21-V24 PolarHBondContact O-N 3.37Å; V24-L26 PolarHBondContact O-N 2.92Å; V24-P27 VanDerWaalsContact O-CD 3.26Å; V24-P27 WeakPolarHBondContact O-CD 3.47Å; V24-P27 VanDerWaalsContact O-CG 3.31Å; V24-P27 WeakPolarHBondContact O-CG 3.18Å; V24-V28 HydrophobicContact CG1-CG2 3.98Å; V24-V28 WeakPolarHBondContact O-CB 3.27Å; V24-V28 WeakPolarHBondContact O-CG2 3.26Å; V24-V28 PolarHBondContact O-N 3.45Å |
| 25 | F | 64.6 | Low | 63.7 | Low | 121 Ų | 121 | 111.5 Ų | 111.5 | 53% | 0.531 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -63.4 | -40.1 | 179.4 | -71.8 | -79.6 | 0 | 0 | 0 | 113.4 | N21 V28 L29 | N21-F25 VanDerWaalsContact O-CD2 3.23Å; N21-F25 WeakPolarHBondContact O-CD2 3.39Å; F25-V28 PolarHBondContact O-N 2.94Å; F25-L29 VanDerWaalsContact O-CB 3.22Å; F25-L29 WeakPolarHBondContact O-CB 3.41Å; F25-L29 PolarHBondContact O-N 3.02Å |
| 26 | L | 72 | Confident | 64.6 | Low | 119 Ų | 119 | 109.8 Ų | 109.8 | 62% | 0.623 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -64.5 | -50.3 | -177.8 | -161.9 | 75.5 | 0 | 0 | 0 | 112.7 | V24 V28 L29 L30 | V24-L26 PolarHBondContact O-N 2.92Å; L26-V28 VanDerWaalsContact C-N 3.34Å; L26-V28 PolarHBondContact O-N 3.3Å; L26-L29 PolarHBondContact O-N 3.45Å; L26-L30 PolarHBondContact O-N 3.34Å |
| 27 | P | 71.1 | Confident | 65.1 | Low | 74 Ų | 74 | 111.1 Ų | 111.1 | 48% | 0.481 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -66.9 | -33.7 | 176.2 | 23.6 | -32.4 | 0 | 0 | 0 | 112.8 | R23 V24 L30 A31 | R23-P27 WeakPolarHBondContact O-CD 3.44Å; V24-P27 VanDerWaalsContact O-CD 3.26Å; V24-P27 WeakPolarHBondContact O-CD 3.47Å; V24-P27 VanDerWaalsContact O-CG 3.31Å; V24-P27 WeakPolarHBondContact O-CG 3.18Å; P27-L30 PolarHBondContact O-N 2.94Å; P27-A31 WeakPolarHBondContact O-CB 3.48Å; P27-A31 PolarHBondContact O-N 3.41Å |
| 28 | V | 76.3 | Confident | 65.4 | Low | 90 Ų | 90 | 113.9 Ų | 113.9 | 55% | 0.545 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -66.1 | -41.5 | 175.4 | 170.5 | 0 | 0 | 0 | 0 | 111.5 | V24 F25 L26 A31 A32 | V24-V28 HydrophobicContact CG1-CG2 3.98Å; V24-V28 WeakPolarHBondContact O-CB 3.27Å; V24-V28 WeakPolarHBondContact O-CG2 3.26Å; V24-V28 PolarHBondContact O-N 3.45Å; F25-V28 PolarHBondContact O-N 2.94Å; L26-V28 VanDerWaalsContact C-N 3.34Å; L26-V28 PolarHBondContact O-N 3.3Å; V28-A31 PolarHBondContact O-N 2.93Å; V28-A32 WeakPolarHBondContact O-CB 3.38Å; V28-A32 PolarHBondContact O-N 3.46Å |
| 29 | L | 74.8 | Confident | 65.6 | Low | 104 Ų | 104 | 114.6 Ų | 114.6 | 55% | 0.545 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -67.1 | -40.3 | 176.7 | -173.8 | 67.1 | 0 | 0 | 0 | 111.8 | F25 L26 A32 L33 | F25-L29 VanDerWaalsContact O-CB 3.22Å; F25-L29 WeakPolarHBondContact O-CB 3.41Å; F25-L29 PolarHBondContact O-N 3.02Å; L26-L29 PolarHBondContact O-N 3.45Å; L29-A32 PolarHBondContact O-N 3Å; L29-L33 HydrophobicContact CG-CD1 4.44Å; L29-L33 WeakPolarHBondContact O-CG 3.38Å; L29-L33 PolarHBondContact O-N 2.85Å |
| 30 | L | 74.7 | Confident | 66.5 | Low | 95 Ų | 95 | 116.6 Ų | 116.6 | 50% | 0.497 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -61.9 | -45.5 | 173.6 | -110.2 | 72.1 | 0 | 0 | 0 | 111.6 | L26 P27 A32 L33 L34 | L26-L30 PolarHBondContact O-N 3.34Å; P27-L30 PolarHBondContact O-N 2.94Å; L30-A32 VanDerWaalsContact C-N 3.31Å; L30-A32 PolarHBondContact O-N 3.39Å; L30-L33 PolarHBondContact O-N 3.48Å; L30-L34 WeakPolarHBondContact O-CB 3.45Å; L30-L34 VanDerWaalsContact O-CG 3.27Å; L30-L34 WeakPolarHBondContact O-CG 3.23Å; L30-L34 PolarHBondContact O-N 3.18Å |
| 31 | A | 76.8 | Confident | 67.6 | Low | 61 Ų | 61 | 113.7 Ų | 113.7 | 50% | 0.504 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -63.1 | -37.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | P27 V28 G35 | P27-A31 WeakPolarHBondContact O-CB 3.48Å; P27-A31 PolarHBondContact O-N 3.41Å; V28-A31 PolarHBondContact O-N 2.93Å; A31-G35 PolarHBondContact O-N 3.43Å |
| 32 | A | 74.7 | Confident | 69.1 | Low | 37 Ų | 37 | 110 Ų | 110 | 31% | 0.306 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -63.9 | -44.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | V28 L29 L30 G35 M36 | V28-A32 WeakPolarHBondContact O-CB 3.38Å; V28-A32 PolarHBondContact O-N 3.46Å; L29-A32 PolarHBondContact O-N 3Å; L30-A32 VanDerWaalsContact C-N 3.31Å; L30-A32 PolarHBondContact O-N 3.39Å; A32-G35 PolarHBondContact O-N 3.02Å; A32-M36 WeakPolarHBondContact O-CE 3.46Å; A32-M36 WeakPolarHBondContact O-CG 3.06Å |
| 33 | L | 72.2 | Confident | 70.8 | Confident | 112 Ų | 112 | 106.7 Ų | 106.7 | 59% | 0.586 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -67.8 | -37.9 | 178.3 | -73 | 166.9 | 0 | 0 | 0 | 112.8 | L29 L30 G35 M36 | L29-L33 HydrophobicContact CG-CD1 4.44Å; L29-L33 WeakPolarHBondContact O-CG 3.38Å; L29-L33 PolarHBondContact O-N 2.85Å; L30-L33 PolarHBondContact O-N 3.48Å; L33-G35 VanDerWaalsContact C-N 3.32Å; L33-M36 WeakPolarHBondContact O-CB 3.46Å; L33-M36 WeakPolarHBondContact O-CG 3.22Å; L33-M36 PolarHBondContact O-N 3.44Å |
| 34 | L | 71.8 | Confident | 72.4 | Confident | 147 Ų | 147 | 95.7 Ų | 95.7 | 77% | 0.77 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -74.9 | -22.4 | 176.8 | -68 | 169.5 | 0 | 0 | 0 | 112.8 | L30 M36 | L30-L34 WeakPolarHBondContact O-CB 3.45Å; L30-L34 VanDerWaalsContact O-CG 3.27Å; L30-L34 WeakPolarHBondContact O-CG 3.23Å; L30-L34 PolarHBondContact O-N 3.18Å; L34-M36 VanDerWaalsContact C-N 3.27Å |
| 35 | G | 68.4 | Low | 73.9 | Confident | 64 Ų | 64 | 95 Ų | 95 | 66% | 0.66 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -0.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | A31 A32 L33 E37 | A31-G35 PolarHBondContact O-N 3.43Å; A32-G35 PolarHBondContact O-N 3.02Å; L33-G35 VanDerWaalsContact C-N 3.32Å; G35-E37 PolarHBondContact O-N 2.85Å |
| 36 | M | 62.8 | Low | 75.4 | Confident | 123 Ų | 123 | 91.1 Ų | 91.1 | 61% | 0.606 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -79.4 | 102 | 172.2 | -52.6 | -79.4 | 154.5 | 0 | 0 | 107.7 | A32 L33 L34 Q38 | A32-M36 WeakPolarHBondContact O-CE 3.46Å; A32-M36 WeakPolarHBondContact O-CG 3.06Å; L33-M36 WeakPolarHBondContact O-CB 3.46Å; L33-M36 WeakPolarHBondContact O-CG 3.22Å; L33-M36 PolarHBondContact O-N 3.44Å; L34-M36 VanDerWaalsContact C-N 3.27Å; M36-Q38 PolarHBondContact O-N 3.42Å |
| 37 | E | 55.4 | Low | 76.5 | Confident | 178 Ų | 178 | 86 Ų | 86 | 83% | 0.832 | 48% | 0.479 | S | S | * | . | trans | -62.2 | 111.8 | 169.1 | -165.2 | 137.4 | 69.6 | 0 | 0 | 107.9 | G35 V39 | G35-E37 PolarHBondContact O-N 2.85Å; E37-V39 VanDerWaalsContact C-N 3.28Å; E37-V39 PolarHBondContact O-N 3.45Å | ||
| 38 | Q | 56 | Low | 77.7 | Confident | 174 Ų | 174 | 86.9 Ų | 86.9 | 81% | 0.813 | 48% | 0.483 | S | S | * | . | trans | -71.1 | 90.9 | 173 | -75.3 | -178.4 | 43.5 | 0 | 0 | 107.4 | M36 H40 | M36-Q38 PolarHBondContact O-N 3.42Å; Q38-H40 PolarHBondContact O-N 2.65Å | ||
| 39 | V | 60.1 | Low | 78.5 | Confident | 88 Ų | 88 | 87.8 Ų | 87.8 | 53% | 0.533 | 49% | 0.485 | S | S | . | . | trans | -71.5 | 85.7 | 166 | -171 | 0 | 0 | 0 | 0 | 106.4 | E37 S41 E64 | E37-V39 VanDerWaalsContact C-N 3.28Å; E37-V39 PolarHBondContact O-N 3.45Å; V39-S41 PolarHBondContact O-N 3.17Å; V39-E64 HydrophobicContact CG1-CG 3.95Å; V39-E64 WeakPolarHBondContact CG1-OE1 3.45Å | ||
| 40 | H | 67.7 | Low | 79.6 | Confident | 166 Ų | 166 | 85.7 Ų | 85.7 | 77% | 0.769 | 47% | 0.472 | S | S | * | . | trans | -69.3 | 107.1 | 173.8 | -151.3 | 80.3 | 0 | 0 | 0 | 107.1 | Q38 L42 | Q38-H40 PolarHBondContact O-N 2.65Å; H40-L42 PolarHBondContact O-N 3.18Å | ||
| 41 | S | 79.3 | Confident | 80.5 | Confident | 39 Ų | 39 | 88.5 Ų | 88.5 | 27% | 0.273 | 48% | 0.48 | S | S | . | . | trans | -68 | 130 | 173.5 | -167.6 | 0 | 0 | 0 | 0 | 108.7 | V39 M43 S61 C62 | V39-S41 PolarHBondContact O-N 3.17Å; S41-M43 PolarHBondContact O-N 3.04Å; S41-S61 WeakPolarHBondContact CB-OG 3.38Å; S41-S61 PolarHBondContact OG-OG 3.34Å; S41-C62 PolarHBondContact OG-O 3.08Å | ||
| 42 | L | 90.6 | Very high | 81.1 | Confident | 31 Ų | 31 | 90.1 Ų | 90.1 | 16% | 0.162 | 48% | 0.481 | C | S | . | . | trans | -59.6 | 132.3 | 173.2 | 177.7 | 65.7 | 0 | 0 | 0 | 108.8 | H40 C62 Q115 | H40-L42 PolarHBondContact O-N 3.18Å; L42-C62 HydrophobicContact CB-CB 4.14Å; L42-C62 VanDerWaalsContact O-CB 3.23Å; L42-C62 WeakPolarHBondContact O-CB 3.12Å; L42-C62 PolarHBondContact O-N 2.92Å; L42-C62 PolarHBondContact O-SG 2.87Å; L42-Q115 VanDerWaalsContact CD1-O 3.24Å; L42-Q115 WeakPolarHBondContact CD1-O 3.45Å | ||
| 43 | M | 93.2 | Very high | 81.8 | Confident | 100 Ų | 100 | 92.2 Ų | 92.2 | 49% | 0.493 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 133.2 | 172.9 | -70.3 | -68.8 | -134.6 | 0 | 0 | 108.9 | S41 V60 S61 S117 | S41-M43 PolarHBondContact O-N 3.04Å; M43-V60 WeakPolarHBondContact CA-O 3.3Å; M43-S61 WeakPolarHBondContact SD-CA 3.25Å; M43-S117 WeakPolarHBondContact O-CB 3.04Å |
| 44 | C | 95.1 | Very high | 82.8 | Confident | 3 Ų | 3 | 92.4 Ų | 92.4 | 2% | 0.02 | 49% | 0.487 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 161.2 | 178.4 | -62.9 | 0 | 0 | 0 | 0 | 111.1 | P59 V60 C62 C69 | C44-P59 CarbonylContact O-C 3.55Å; C44-P59 WeakPolarHBondContact O-CA 3.35Å; C44-V60 PolarHBondContact N-O 3.29Å; C44-V60 WeakPolarHBondContact O-CG2 3.36Å; C44-V60 PolarHBondContact O-N 3.28Å; C44-C62 PolarHBondContact SG-SG 2.86Å; C44-C69 VanDerWaalsContact CA-SG 3.56Å; C44-C69 HydrophobicContact CB-CB 3.76Å; C44-C69 WeakPolarHBondContact CB-SG 3.4Å; C44-C69 WeakPolarHBondContact SG-CA 3.41Å; C44-C69 WeakPolarHBondContact SG-CB 3.04Å; C44-C69 CovalentContact SG-SG 2.02Å; C44-C69 PolarHBondContact SG-SG 2.79Å |
| 45 | F | 95.2 | Very high | 83.8 | Confident | 68 Ų | 68 | 89.5 Ų | 89.5 | 30% | 0.298 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 141.1 | 165.4 | -75.1 | -55.6 | 0 | 0 | 0 | 111.2 | C56 L57 W58 K89 G90 | F45-C56 VanDerWaalsContact CB-O 3.28Å; F45-C56 WeakPolarHBondContact CB-O 3.31Å; F45-L57 VanDerWaalsContact CD1-CA 3.49Å; F45-L57 HydrophobicContact CD1-CB 4.44Å; F45-L57 HydrophobicContact CD1-CD2 4.44Å; F45-L57 HydrophobicContact CE1-CB 4.25Å; F45-L57 HydrophobicContact CE1-CD2 4.12Å; F45-L57 WeakPolarHBondContact CE1-O 3.42Å; F45-L57 HydrophobicContact CE2-CD2 4.34Å; F45-L57 HydrophobicContact CZ-CD2 4.06Å; F45-W58 CarbonylContact C-O 3.5Å; F45-W58 WeakPolarHBondContact CA-O 3.42Å; F45-K89 HydrophobicContact CB-CD 4.06Å; F45-K89 CarbonylContact O-C 3.55Å; F45-K89 WeakPolarHBondContact O-CB 3.23Å; F45-G90 PolarHBondContact O-N 2.79Å |
| 46 | S | 94.5 | Very high | 85.1 | Confident | 40 Ų | 40 | 86.5 Ų | 86.5 | 28% | 0.28 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 138.2 | -177.1 | -175.4 | 0 | 0 | 0 | 0 | 112.6 | W58 K89 | S46-W58 PolarHBondContact N-O 3.11Å; S46-K89 WeakPolarHBondContact CA-O 3.33Å |
| 47 | C | 96.1 | Very high | 86.6 | Confident | 13 Ų | 13 | 84.6 Ų | 84.6 | 9% | 0.088 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.3 | 160 | 168.2 | 62.4 | 0 | 0 | 0 | 0 | 111.2 | Q50 C56 N88 K89 | C47-Q50 HydrophobicContact CB-CB 4.49Å; C47-Q50 HydrophobicContact CB-CG 3.71Å; C47-C56 HydrophobicContact CB-CB 3.64Å; C47-C56 WeakPolarHBondContact CB-SG 3.23Å; C47-C56 WeakPolarHBondContact SG-CB 3.22Å; C47-C56 CovalentContact SG-SG 2.02Å; C47-C56 PolarHBondContact SG-SG 3.33Å; C47-N88 VanDerWaalsContact O-CA 3.31Å; C47-N88 WeakPolarHBondContact O-CA 3.41Å; C47-K89 PolarHBondContact N-O 2.71Å; C47-K89 PolarHBondContact O-N 2.85Å |
| 48 | T | 95.8 | Very high | 88.4 | Confident | 91 Ų | 91 | 85.3 Ų | 85.3 | 56% | 0.558 | 43% | 0.428 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 135.1 | 174.1 | -51.9 | 0 | 0 | 0 | 0 | 108.9 | Q50 | T48-Q50 VanDerWaalsContact C-N 3.28Å; T48-Q50 PolarHBondContact O-N 3.45Å; T48-Q50 PolarHBondContact O-NE2 3.09Å; T48-Q50 VanDerWaalsContact O-NE2 3.09Å |
| 49 | D | 94.4 | Very high | 90.2 | Very high | 109 Ų | 109 | 81.2 Ų | 81.2 | 58% | 0.583 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 53.7 | 39.5 | 171.3 | -57.1 | -32.2 | 0 | 0 | 0 | 114.8 | T86 N88 | D49-T86 HydrophobicContact CB-CG2 4.05Å; D49-T86 WeakPolarHBondContact OD1-CG2 3.01Å; D49-N88 PolarHBondContact N-OD1 2.76Å; D49-N88 PolarHBondContact OD1-ND2 2.03Å; D49-N88 PolarHBondContact OD1-OD1 3.43Å |
| 50 | Q | 96.3 | Very high | 91.8 | Very high | 61 Ų | 61 | 79.3 Ų | 79.3 | 29% | 0.285 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 150.9 | 177.4 | -63.1 | -55.7 | -48.7 | 0 | 0 | 111.3 | C47 T48 N55 T86 L87 | C47-Q50 HydrophobicContact CB-CB 4.49Å; C47-Q50 HydrophobicContact CB-CG 3.71Å; T48-Q50 VanDerWaalsContact C-N 3.28Å; T48-Q50 PolarHBondContact O-N 3.45Å; T48-Q50 PolarHBondContact O-NE2 3.09Å; T48-Q50 VanDerWaalsContact O-NE2 3.09Å; Q50-N55 HydrophobicContact CB-CB 4.27Å; Q50-N55 HydrophobicContact CG-CB 3.96Å; Q50-N55 VanDerWaalsContact OE1-CB 3.29Å; Q50-N55 PolarHBondContact OE1-ND2 2.86Å; Q50-T86 CarbonylContact O-C 3.57Å; Q50-L87 PolarHBondContact N-O 3.32Å; Q50-L87 VanDerWaalsContact N-O 3.07Å; Q50-L87 WeakPolarHBondContact O-CA 3.39Å; Q50-L87 VanDerWaalsContact O-CB 3.27Å; Q50-L87 WeakPolarHBondContact O-CB 3.42Å; Q50-L87 PolarHBondContact O-N 2.86Å |
| 51 | K | 93.4 | Very high | 93 | Very high | 154 Ų | 154 | 75.2 Ų | 75.2 | 67% | 0.67 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -95.6 | -17.6 | 174 | -63.1 | -170.3 | 176 | 177 | 0 | 113.2 | Y85 | K51-Y85 WeakPolarHBondContact O-CD1 3.29Å; K51-Y85 WeakPolarHBondContact O-CE1 3.06Å |
| 52 | N | 89.9 | Confident | 93.7 | Very high | 95 Ų | 95 | 73.7 Ų | 73.7 | 51% | 0.508 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -128.4 | 137.6 | -171.8 | -119.6 | 43.9 | 0 | 0 | 0 | 110.8 | I54 N55 | N52-I54 PolarHBondContact O-N 2.96Å; N52-N55 PolarHBondContact O-N 2.92Å |
| 53 | N | 89.8 | Confident | 93.7 | Very high | 80 Ų | 80 | 77.7 Ų | 77.7 | 43% | 0.428 | 40% | 0.402 | S | S | . | . | G | 310 helix | trans | -62.4 | -30.4 | 180 | -176.3 | 67.3 | 0 | 0 | 0 | 113.4 | N55 C56 L87 K89 | N53-N55 PolarHBondContact O-N 3.48Å; N53-C56 WeakPolarHBondContact O-CA 3.39Å; N53-C56 WeakPolarHBondContact O-CB 2.82Å; N53-C56 PolarHBondContact O-N 2.77Å; N53-L87 HydrophobicContact CB-CD2 4.25Å; N53-K89 WeakPolarHBondContact OD1-CE 3.35Å |
| 54 | I | 92.8 | Very high | 93.5 | Very high | 117 Ų | 117 | 80 Ų | 80 | 60% | 0.6 | 41% | 0.412 | S | S | * | . | G | 310 helix | trans | -60.1 | -37.9 | -179.9 | -60.4 | 176.9 | 0 | 0 | 0 | 111.1 | N52 C56 L57 | N52-I54 PolarHBondContact O-N 2.96Å; I54-C56 PolarHBondContact O-N 2.87Å; I54-C56 VanDerWaalsContact O-N 3.16Å; I54-L57 HydrophobicContact CG2-CD1 4.35Å; I54-L57 PolarHBondContact O-N 2.83Å |
| 55 | N | 93.6 | Very high | 93.2 | Very high | 86 Ų | 86 | 85.6 Ų | 85.6 | 46% | 0.46 | 44% | 0.436 | S | S | . | . | G | 310 helix | trans | -71.8 | -7.9 | 177.8 | -62.1 | 2.7 | 0 | 0 | 0 | 112.6 | Q50 N52 N53 | Q50-N55 HydrophobicContact CB-CB 4.27Å; Q50-N55 HydrophobicContact CG-CB 3.96Å; Q50-N55 VanDerWaalsContact OE1-CB 3.29Å; Q50-N55 PolarHBondContact OE1-ND2 2.86Å; N52-N55 PolarHBondContact O-N 2.92Å; N53-N55 PolarHBondContact O-N 3.48Å |
| 56 | C | 94.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 83 Ų | 83 | 0% | 0 | 43% | 0.425 | C | S | . | . | G | 310 helix | trans | -102.3 | 7.3 | 177.3 | -61.9 | 0 | 0 | 0 | 0 | 113.6 | F45 C47 N53 I54 W58 K89 | F45-C56 VanDerWaalsContact CB-O 3.28Å; F45-C56 WeakPolarHBondContact CB-O 3.31Å; C47-C56 HydrophobicContact CB-CB 3.64Å; C47-C56 WeakPolarHBondContact CB-SG 3.23Å; C47-C56 WeakPolarHBondContact SG-CB 3.22Å; C47-C56 CovalentContact SG-SG 2.02Å; C47-C56 PolarHBondContact SG-SG 3.33Å; N53-C56 WeakPolarHBondContact O-CA 3.39Å; N53-C56 WeakPolarHBondContact O-CB 2.82Å; N53-C56 PolarHBondContact O-N 2.77Å; I54-C56 PolarHBondContact O-N 2.87Å; I54-C56 VanDerWaalsContact O-N 3.16Å; C56-W58 PolarHBondContact O-N 2.03Å; C56-W58 VanDerWaalsContact O-N 3.09Å; C56-K89 HydrophobicContact CB-CD 3.88Å; C56-K89 HydrophobicContact CB-CG 4.36Å |
| 57 | L | 94.2 | Very high | 92.9 | Very high | 84 Ų | 84 | 85.6 Ų | 85.6 | 44% | 0.44 | 43% | 0.433 | S | S | . | . | trans | -80.8 | 24.8 | 179.6 | -65.3 | 170 | 0 | 0 | 0 | 113.4 | F45 I54 P59 | F45-L57 VanDerWaalsContact CD1-CA 3.49Å; F45-L57 HydrophobicContact CD1-CB 4.44Å; F45-L57 HydrophobicContact CD1-CD2 4.44Å; F45-L57 HydrophobicContact CE1-CB 4.25Å; F45-L57 HydrophobicContact CE1-CD2 4.12Å; F45-L57 WeakPolarHBondContact CE1-O 3.42Å; F45-L57 HydrophobicContact CE2-CD2 4.34Å; F45-L57 HydrophobicContact CZ-CD2 4.06Å; I54-L57 HydrophobicContact CG2-CD1 4.35Å; I54-L57 PolarHBondContact O-N 2.83Å; L57-P59 VanDerWaalsContact O-CD 3.26Å; L57-P59 WeakPolarHBondContact O-CD 3.44Å | ||
| 58 | W | 94.2 | Very high | 92.7 | Very high | 192 Ų | 192 | 88.8 Ų | 88.8 | 73% | 0.727 | 44% | 0.443 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 110.5 | 177.2 | -84.6 | 85.6 | 0 | 0 | 0 | 110.6 | F45 S46 C56 | F45-W58 CarbonylContact C-O 3.5Å; F45-W58 WeakPolarHBondContact CA-O 3.42Å; S46-W58 PolarHBondContact N-O 3.11Å; C56-W58 PolarHBondContact O-N 2.03Å; C56-W58 VanDerWaalsContact O-N 3.09Å |
| 59 | P | 93.6 | Very high | 92.6 | Very high | 88 Ų | 88 | 84.9 Ų | 84.9 | 57% | 0.571 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 139 | 179.9 | 30.9 | -34.5 | 0 | 0 | 0 | 110.9 | C44 L57 | C44-P59 CarbonylContact O-C 3.55Å; C44-P59 WeakPolarHBondContact O-CA 3.35Å; L57-P59 VanDerWaalsContact O-CD 3.26Å; L57-P59 WeakPolarHBondContact O-CD 3.44Å |
| 60 | V | 93.7 | Very high | 92.6 | Very high | 49 Ų | 49 | 81 Ų | 81 | 30% | 0.297 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 144.8 | 175.2 | -60.7 | 0 | 0 | 0 | 0 | 110.4 | M43 C44 | M43-V60 WeakPolarHBondContact CA-O 3.3Å; C44-V60 PolarHBondContact N-O 3.29Å; C44-V60 WeakPolarHBondContact O-CG2 3.36Å; C44-V60 PolarHBondContact O-N 3.28Å |
| 61 | S | 93.3 | Very high | 92.5 | Very high | 79 Ų | 79 | 79 Ų | 79 | 55% | 0.552 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82 | 126.3 | 169.8 | -175.9 | 0 | 0 | 0 | 0 | 109.4 | S41 M43 | S41-S61 WeakPolarHBondContact CB-OG 3.38Å; S41-S61 PolarHBondContact OG-OG 3.34Å; M43-S61 WeakPolarHBondContact SD-CA 3.25Å |
| 62 | C | 92.5 | Very high | 92.5 | Very high | 8 Ų | 8 | 75.3 Ų | 75.3 | 5% | 0.054 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -79.6 | 167.1 | 179.2 | -59.8 | 0 | 0 | 0 | 0 | 112.1 | S41 L42 C44 D66 C91 | S41-C62 PolarHBondContact OG-O 3.08Å; L42-C62 HydrophobicContact CB-CB 4.14Å; L42-C62 VanDerWaalsContact O-CB 3.23Å; L42-C62 WeakPolarHBondContact O-CB 3.12Å; L42-C62 PolarHBondContact O-N 2.92Å; L42-C62 PolarHBondContact O-SG 2.87Å; C44-C62 PolarHBondContact SG-SG 2.86Å; C62-D66 HydrophobicContact CB-CB 3.88Å; C62-C91 WeakPolarHBondContact CA-SG 3.24Å; C62-C91 HydrophobicContact CB-CB 3.6Å; C62-C91 WeakPolarHBondContact CB-SG 3.15Å; C62-C91 WeakPolarHBondContact SG-CB 3.28Å; C62-C91 CovalentContact SG-SG 2.03Å; C62-C91 PolarHBondContact SG-SG 2.87Å |
| 63 | Q | 91.4 | Very high | 92.7 | Very high | 115 Ų | 115 | 71.9 Ų | 71.9 | 54% | 0.537 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -77 | 159.9 | 171.7 | -67.7 | 167.1 | 81.4 | 0 | 0 | 110.3 | K65 D66 | Q63-K65 HydrophobicContact CB-CG 3.97Å; Q63-K65 PolarHBondContact O-N 3.45Å; Q63-K65 VanDerWaalsContact O-N 3.11Å; Q63-D66 WeakPolarHBondContact CB-OD2 3.03Å; Q63-D66 PolarHBondContact N-OD2 3.17Å; Q63-D66 WeakPolarHBondContact O-CB 3.45Å; Q63-D66 PolarHBondContact O-N 3.07Å |
| 64 | E | 88.4 | Confident | 92.8 | Very high | 149 Ų | 149 | 70 Ų | 70 | 70% | 0.696 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -27.6 | -179.7 | -151.8 | 176.6 | -163.9 | 0 | 0 | 113.4 | V39 H67 | V39-E64 HydrophobicContact CG1-CG 3.95Å; V39-E64 WeakPolarHBondContact CG1-OE1 3.45Å; E64-H67 PolarHBondContact O-CE1 3.12Å |
| 65 | K | 89.3 | Confident | 92.7 | Very high | 120 Ų | 120 | 66 Ų | 66 | 52% | 0.522 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -14.7 | 175.2 | 64.1 | 177.5 | 179 | -173.7 | 0 | 114.1 | Q63 H67 P93 | Q63-K65 HydrophobicContact CB-CG 3.97Å; Q63-K65 PolarHBondContact O-N 3.45Å; Q63-K65 VanDerWaalsContact O-N 3.11Å; K65-H67 PolarHBondContact O-CD2 2.9Å; K65-H67 PolarHBondContact O-NE2 2.92Å; K65-P93 WeakPolarHBondContact O-CA 3.21Å; K65-P93 VanDerWaalsContact O-CB 3.25Å; K65-P93 WeakPolarHBondContact O-CB 3.19Å |
| 66 | D | 92.3 | Very high | 92.6 | Very high | 12 Ų | 12 | 63.5 Ų | 63.5 | 6% | 0.064 | 33% | 0.332 | C | S | . | . | trans | -91.7 | 112 | -175.7 | -63.1 | -28.3 | 0 | 0 | 0 | 108.5 | C62 Q63 C91 P93 | C62-D66 HydrophobicContact CB-CB 3.88Å; Q63-D66 WeakPolarHBondContact CB-OD2 3.03Å; Q63-D66 PolarHBondContact N-OD2 3.17Å; Q63-D66 WeakPolarHBondContact O-CB 3.45Å; Q63-D66 PolarHBondContact O-N 3.07Å; D66-C91 HydrophobicContact CB-CB 3.92Å; D66-P93 VanDerWaalsContact OD1-CD 3.3Å; D66-P93 WeakPolarHBondContact OD1-CD 3.28Å | ||
| 67 | H | 90.5 | Very high | 92.2 | Very high | 96 Ų | 96 | 64.5 Ų | 64.5 | 44% | 0.444 | 34% | 0.343 | S | S | . | . | trans | -107.5 | -1.1 | -174.2 | -56.8 | -54.6 | 0 | 0 | 0 | 113.1 | E64 K65 S92 Q115 | E64-H67 PolarHBondContact O-CE1 3.12Å; K65-H67 PolarHBondContact O-CD2 2.9Å; K65-H67 PolarHBondContact O-NE2 2.92Å; H67-S92 PolarHBondContact N-O 2.85Å; H67-Q115 WeakPolarHBondContact O-CG 3.27Å | ||
| 68 | Y | 92.6 | Very high | 91.8 | Very high | 80 Ų | 80 | 67.6 Ų | 67.6 | 31% | 0.314 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 138.9 | -176.5 | -54.6 | -80.8 | 0 | 0 | 0 | 111.7 | C91 S92 C95 C114 | Y68-C91 CarbonylContact O-C 3.57Å; Y68-S92 PolarHBondContact N-O 2.77Å; Y68-S92 VanDerWaalsContact N-O 3.08Å; Y68-S92 PolarHBondContact O-N 2.84Å; Y68-C95 HydrophobicContact CD1-CB 4.12Å; Y68-C95 HydrophobicContact CD2-CB 4.15Å; Y68-C95 HydrophobicContact CE1-CB 4.43Å; Y68-C95 HydrophobicContact CE2-CB 4.46Å; Y68-C95 HydrophobicContact CG-CB 3.97Å; Y68-C114 CarbonylContact C-O 3.59Å; Y68-C114 WeakPolarHBondContact CA-O 3.46Å |
| 69 | C | 94.4 | Very high | 91.2 | Very high | 8 Ų | 8 | 62.4 Ų | 62.4 | 5% | 0.054 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 126 | 157.8 | -52 | 0 | 0 | 0 | 0 | 107.9 | C44 G90 C113 C114 | C44-C69 VanDerWaalsContact CA-SG 3.56Å; C44-C69 HydrophobicContact CB-CB 3.76Å; C44-C69 WeakPolarHBondContact CB-SG 3.4Å; C44-C69 WeakPolarHBondContact SG-CA 3.41Å; C44-C69 WeakPolarHBondContact SG-CB 3.04Å; C44-C69 CovalentContact SG-SG 2.02Å; C44-C69 PolarHBondContact SG-SG 2.79Å; C69-G90 CarbonylContact C-O 3.5Å; C69-G90 WeakPolarHBondContact CA-O 3.4Å; C69-C113 CarbonylContact O-C 3.56Å; C69-C113 VanDerWaalsContact O-CA 3.23Å; C69-C113 WeakPolarHBondContact O-CA 3.41Å; C69-C114 PolarHBondContact N-O 3.16Å; C69-C114 PolarHBondContact O-N 3.27Å |
| 70 | I | 94.1 | Very high | 90.7 | Very high | 27 Ų | 27 | 65.8 Ų | 65.8 | 14% | 0.138 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 139.2 | 176.3 | -165.4 | 168.3 | 0 | 0 | 0 | 110.2 | L72 K89 G90 Y112 | I70-L72 HydrophobicContact CD1-CD1 3.78Å; I70-L72 HydrophobicContact CG1-CD1 3.93Å; I70-L72 HydrophobicContact CG2-CD1 4.45Å; I70-K89 CarbonylContact O-C 3.58Å; I70-K89 VanDerWaalsContact O-CA 3.29Å; I70-K89 WeakPolarHBondContact O-CA 3.41Å; I70-G90 PolarHBondContact N-O 2.84Å; I70-G90 PolarHBondContact O-N 3.37Å; I70-Y112 CarbonylContact C-O 3.46Å; I70-Y112 WeakPolarHBondContact CA-O 3.39Å |
| 71 | T | 94 | Very high | 90.3 | Very high | 21 Ų | 21 | 67.8 Ų | 67.8 | 13% | 0.129 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 123.4 | 168.5 | -60.9 | 0 | 0 | 0 | 0 | 108 | L87 N88 K89 S111 Y112 | T71-L87 HydrophobicContact CG2-CD1 3.51Å; T71-N88 CarbonylContact C-O 3.53Å; T71-N88 WeakPolarHBondContact CA-O 3.4Å; T71-K89 HydrophobicContact CG2-CG 4.01Å; T71-K89 PolarHBondContact OG1-NZ 2.84Å; T71-S111 CarbonylContact O-C 3.52Å; T71-S111 VanDerWaalsContact O-CA 3.32Å; T71-S111 WeakPolarHBondContact O-CA 3.33Å; T71-Y112 PolarHBondContact N-O 3.21Å; T71-Y112 PolarHBondContact O-N 3.24Å |
| 72 | L | 93.4 | Very high | 90.1 | Very high | 76 Ų | 76 | 71 Ų | 71 | 40% | 0.398 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 131.9 | 167.1 | -82.4 | 105.7 | 0 | 0 | 0 | 109.3 | I70 L87 N88 V109 N110 | I70-L72 HydrophobicContact CD1-CD1 3.78Å; I70-L72 HydrophobicContact CG1-CD1 3.93Å; I70-L72 HydrophobicContact CG2-CD1 4.45Å; L72-L87 WeakPolarHBondContact O-CA 3.33Å; L72-N88 PolarHBondContact N-O 2.83Å; L72-N88 PolarHBondContact O-N 3.4Å; L72-V109 HydrophobicContact CD2-CG1 4.49Å; L72-N110 WeakPolarHBondContact CA-O 3.44Å |
| 73 | S | 93.1 | Very high | 89.9 | Confident | 23 Ų | 23 | 76.6 Ų | 76.6 | 16% | 0.161 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 139.1 | 169.1 | 57.5 | 0 | 0 | 0 | 0 | 109.5 | T86 V109 N110 | S73-T86 CarbonylContact C-O 3.5Å; S73-T86 WeakPolarHBondContact CA-O 3.46Å; S73-V109 CarbonylContact O-C 3.54Å; S73-V109 WeakPolarHBondContact O-CA 3.45Å; S73-N110 PolarHBondContact N-O 3.19Å; S73-N110 PolarHBondContact O-N 3.09Å; S73-N110 WeakPolarHBondContact OG-CB 3.04Å; S73-N110 PolarHBondContact OG-O 2.78Å |
| 74 | A | 92.3 | Very high | 89.8 | Confident | 39 Ų | 39 | 72.8 Ų | 72.8 | 32% | 0.322 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 133.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | Y85 T86 S108 V109 | A74-Y85 CarbonylContact O-C 3.54Å; A74-Y85 VanDerWaalsContact O-CA 3.28Å; A74-Y85 WeakPolarHBondContact O-CA 3.48Å; A74-T86 PolarHBondContact N-O 2.82Å; A74-T86 PolarHBondContact O-N 2.77Å; A74-S108 CarbonylContact C-O 3.47Å; A74-S108 VanDerWaalsContact CA-O 3.28Å; A74-S108 WeakPolarHBondContact CA-O 3.33Å; A74-V109 HydrophobicContact CB-CG2 4.3Å |
| 75 | A | 92 | Very high | 90.1 | Very high | 33 Ų | 33 | 70.3 Ų | 70.3 | 27% | 0.273 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 143.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | G84 Y85 A107 S108 | A75-G84 CarbonylContact C-O 3.54Å; A75-G84 WeakPolarHBondContact CA-O 3.1Å; A75-Y85 HydrophobicContact CB-CD2 3.95Å; A75-A107 CarbonylContact O-C 3.58Å; A75-A107 WeakPolarHBondContact O-CA 3.35Å; A75-S108 PolarHBondContact N-O 3.3Å; A75-S108 PolarHBondContact O-N 3Å; A75-S108 PolarHBondContact O-OG 2.9Å |
| 76 | A | 90.8 | Very high | 90.3 | Very high | 34 Ų | 34 | 67 Ų | 67 | 28% | 0.281 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 138.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | L83 G84 V106 | A76-L83 HydrophobicContact CB-CB 3.99Å; A76-L83 WeakPolarHBondContact O-CA 3.4Å; A76-L83 WeakPolarHBondContact O-CB 3.36Å; A76-L83 PolarHBondContact O-N 3.01Å; A76-G84 PolarHBondContact N-O 2.98Å; A76-G84 PolarHBondContact O-N 3.38Å; A76-V106 CarbonylContact C-O 3.53Å; A76-V106 WeakPolarHBondContact CA-O 2.96Å |
| 77 | G | 86.9 | Confident | 90.5 | Very high | 22 Ų | 22 | 66.9 Ų | 66.9 | 23% | 0.227 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 178 | 162.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | V81 V106 | G77-V81 CarbonylContact C-O 3.54Å; G77-V81 WeakPolarHBondContact CA-O 3.49Å; G77-V106 PolarHBondContact N-O 3.01Å; G77-V106 CarbonylContact O-C 3.45Å; G77-V106 WeakPolarHBondContact O-CA 3.48Å |
| 78 | F | 84.2 | Confident | 90.7 | Very high | 148 Ų | 148 | 64.6 Ų | 64.6 | 65% | 0.649 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 127.4 | 176.1 | -178.7 | -94.3 | 0 | 0 | 0 | 109.4 | N80 V81 V106 | F78-N80 PolarHBondContact O-N 2.82Å; F78-V81 PolarHBondContact N-O 3.29Å; F78-V81 WeakPolarHBondContact O-CB 3.36Å; F78-V81 WeakPolarHBondContact O-CG2 3.32Å; F78-V81 PolarHBondContact O-N 2.02Å; F78-V106 HydrophobicContact CD2-CG1 4.22Å |
| 79 | G | 83 | Confident | 90.8 | Very high | 83 Ų | 83 | 62.8 Ų | 62.8 | 86% | 0.856 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.8 | -122.1 | -173.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 80 | N | 82.4 | Confident | 90.8 | Very high | 159 Ų | 159 | 63 Ų | 63 | 85% | 0.85 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | 8.1 | 179.9 | -142.8 | 6.2 | 0 | 0 | 0 | 113.5 | F78 | F78-N80 PolarHBondContact O-N 2.82Š|
| 81 | V | 86.2 | Confident | 90.9 | Very high | 91 Ų | 91 | 63.6 Ų | 63.6 | 55% | 0.552 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 118 | -175.3 | -153.1 | 0 | 0 | 0 | 0 | 109.5 | G77 F78 | G77-V81 CarbonylContact C-O 3.54Å; G77-V81 WeakPolarHBondContact CA-O 3.49Å; F78-V81 PolarHBondContact N-O 3.29Å; F78-V81 WeakPolarHBondContact O-CB 3.36Å; F78-V81 WeakPolarHBondContact O-CG2 3.32Å; F78-V81 PolarHBondContact O-N 2.02Å |
| 82 | N | 87.5 | Confident | 90.9 | Very high | 146 Ų | 146 | 63.7 Ų | 63.7 | 78% | 0.781 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 114.7 | 175.5 | -66.2 | -77.7 | 0 | 0 | 0 | 109.6 | ||
| 83 | L | 88.6 | Confident | 90.8 | Very high | 127 Ų | 127 | 63 Ų | 63 | 67% | 0.665 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.4 | -19.3 | -179.5 | -66.1 | 165 | 0 | 0 | 0 | 112.5 | A76 | A76-L83 HydrophobicContact CB-CB 3.99Å; A76-L83 WeakPolarHBondContact O-CA 3.4Å; A76-L83 WeakPolarHBondContact O-CB 3.36Å; A76-L83 PolarHBondContact O-N 3.01Å |
| 84 | G | 90.6 | Very high | 90.6 | Very high | 34 Ų | 34 | 67.7 Ų | 67.7 | 35% | 0.351 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 168 | 156.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | A75 A76 | A75-G84 CarbonylContact C-O 3.54Å; A75-G84 WeakPolarHBondContact CA-O 3.1Å; A76-G84 PolarHBondContact N-O 2.98Å; A76-G84 PolarHBondContact O-N 3.38Å |
| 85 | Y | 93.1 | Very high | 90.4 | Very high | 98 Ų | 98 | 67.4 Ų | 67.4 | 38% | 0.384 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 138.8 | 169.5 | 175.9 | -100.1 | 0 | 0 | 0 | 108.4 | K51 A74 A75 L87 | K51-Y85 WeakPolarHBondContact O-CD1 3.29Å; K51-Y85 WeakPolarHBondContact O-CE1 3.06Å; A74-Y85 CarbonylContact O-C 3.54Å; A74-Y85 VanDerWaalsContact O-CA 3.28Å; A74-Y85 WeakPolarHBondContact O-CA 3.48Å; A75-Y85 HydrophobicContact CB-CD2 3.95Å; Y85-L87 HydrophobicContact CE1-CB 4.02Å |
| 86 | T | 94.9 | Very high | 89.8 | Confident | 51 Ų | 51 | 68 Ų | 68 | 31% | 0.313 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 140 | -177.9 | -37.3 | 0 | 0 | 0 | 0 | 109.2 | D49 Q50 S73 A74 | D49-T86 HydrophobicContact CB-CG2 4.05Å; D49-T86 WeakPolarHBondContact OD1-CG2 3.01Å; Q50-T86 CarbonylContact O-C 3.57Å; S73-T86 CarbonylContact C-O 3.5Å; S73-T86 WeakPolarHBondContact CA-O 3.46Å; A74-T86 PolarHBondContact N-O 2.82Å; A74-T86 PolarHBondContact O-N 2.77Å |
| 87 | L | 95.6 | Very high | 88.5 | Confident | 9 Ų | 9 | 72.1 Ų | 72.1 | 5% | 0.047 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 125.5 | -178.4 | 179.9 | 68.3 | 0 | 0 | 0 | 109.6 | Q50 N53 T71 L72 Y85 | Q50-L87 PolarHBondContact N-O 3.32Å; Q50-L87 VanDerWaalsContact N-O 3.07Å; Q50-L87 WeakPolarHBondContact O-CA 3.39Å; Q50-L87 VanDerWaalsContact O-CB 3.27Å; Q50-L87 WeakPolarHBondContact O-CB 3.42Å; Q50-L87 PolarHBondContact O-N 2.86Å; N53-L87 HydrophobicContact CB-CD2 4.25Å; T71-L87 HydrophobicContact CG2-CD1 3.51Å; L72-L87 WeakPolarHBondContact O-CA 3.33Å; Y85-L87 HydrophobicContact CE1-CB 4.02Å |
| 88 | N | 95.1 | Very high | 87.5 | Confident | 47 Ų | 47 | 78.4 Ų | 78.4 | 25% | 0.251 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 138.5 | 178.2 | -63.1 | 25.1 | 0 | 0 | 0 | 108.3 | C47 D49 T71 L72 | C47-N88 VanDerWaalsContact O-CA 3.31Å; C47-N88 WeakPolarHBondContact O-CA 3.41Å; D49-N88 PolarHBondContact N-OD1 2.76Å; D49-N88 PolarHBondContact OD1-ND2 2.03Å; D49-N88 PolarHBondContact OD1-OD1 3.43Å; T71-N88 CarbonylContact C-O 3.53Å; T71-N88 WeakPolarHBondContact CA-O 3.4Å; L72-N88 PolarHBondContact N-O 2.83Å; L72-N88 PolarHBondContact O-N 3.4Å |
| 89 | K | 95.3 | Very high | 86.4 | Confident | 43 Ų | 43 | 75.5 Ų | 75.5 | 19% | 0.187 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 149.1 | 175.1 | -63 | -172.2 | 179.6 | -82.1 | 0 | 110 | F45 S46 C47 N53 C56 I70 T71 | F45-K89 HydrophobicContact CB-CD 4.06Å; F45-K89 CarbonylContact O-C 3.55Å; F45-K89 WeakPolarHBondContact O-CB 3.23Å; S46-K89 WeakPolarHBondContact CA-O 3.33Å; C47-K89 PolarHBondContact N-O 2.71Å; C47-K89 PolarHBondContact O-N 2.85Å; N53-K89 WeakPolarHBondContact OD1-CE 3.35Å; C56-K89 HydrophobicContact CB-CD 3.88Å; C56-K89 HydrophobicContact CB-CG 4.36Å; I70-K89 CarbonylContact O-C 3.58Å; I70-K89 VanDerWaalsContact O-CA 3.29Å; I70-K89 WeakPolarHBondContact O-CA 3.41Å; T71-K89 HydrophobicContact CG2-CG 4.01Å; T71-K89 PolarHBondContact OG1-NZ 2.84Å |
| 90 | G | 94.8 | Very high | 85.9 | Confident | 13 Ų | 13 | 74.8 Ų | 74.8 | 13% | 0.134 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 176.9 | -169.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114 | F45 C69 I70 | F45-G90 PolarHBondContact O-N 2.79Å; C69-G90 CarbonylContact C-O 3.5Å; C69-G90 WeakPolarHBondContact CA-O 3.4Å; I70-G90 PolarHBondContact N-O 2.84Å; I70-G90 PolarHBondContact O-N 3.37Å |
| 91 | C | 94.8 | Very high | 85.5 | Confident | 38 Ų | 38 | 72.7 Ų | 72.7 | 26% | 0.257 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 146.1 | 178.1 | -51.2 | 0 | 0 | 0 | 0 | 111 | C62 D66 Y68 | C62-C91 WeakPolarHBondContact CA-SG 3.24Å; C62-C91 HydrophobicContact CB-CB 3.6Å; C62-C91 WeakPolarHBondContact CB-SG 3.15Å; C62-C91 WeakPolarHBondContact SG-CB 3.28Å; C62-C91 CovalentContact SG-SG 2.03Å; C62-C91 PolarHBondContact SG-SG 2.87Å; D66-C91 HydrophobicContact CB-CB 3.92Å; Y68-C91 CarbonylContact O-C 3.57Å |
| 92 | S | 93.5 | Very high | 85.2 | Confident | 24 Ų | 24 | 73.3 Ų | 73.3 | 17% | 0.168 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 143.3 | 175.2 | -174.3 | 0 | 0 | 0 | 0 | 111.8 | H67 Y68 I94 | H67-S92 PolarHBondContact N-O 2.85Å; Y68-S92 PolarHBondContact N-O 2.77Å; Y68-S92 VanDerWaalsContact N-O 3.08Å; Y68-S92 PolarHBondContact O-N 2.84Å; S92-I94 VanDerWaalsContact C-N 3.28Å; S92-I94 WeakPolarHBondContact CB-O 3.43Å; S92-I94 PolarHBondContact OG-N 2.86Å; S92-I94 PolarHBondContact OG-O 2.82Å |
| 93 | P | 92.3 | Very high | 84.8 | Confident | 60 Ų | 60 | 71.6 Ų | 71.6 | 39% | 0.39 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -74.7 | -21.9 | 171.8 | 31.2 | -34.7 | 0 | 0 | 0 | 112.5 | K65 D66 | K65-P93 WeakPolarHBondContact O-CA 3.21Å; K65-P93 VanDerWaalsContact O-CB 3.25Å; K65-P93 WeakPolarHBondContact O-CB 3.19Å; D66-P93 VanDerWaalsContact OD1-CD 3.3Å; D66-P93 WeakPolarHBondContact OD1-CD 3.28Å |
| 94 | I | 89.4 | Confident | 84.5 | Confident | 123 Ų | 123 | 72.1 Ų | 72.1 | 63% | 0.631 | 41% | 0.406 | S | S | * | . | trans | -128.4 | 133.2 | -174.5 | -58.4 | 168.3 | 0 | 0 | 0 | 108.4 | S92 | S92-I94 VanDerWaalsContact C-N 3.28Å; S92-I94 WeakPolarHBondContact CB-O 3.43Å; S92-I94 PolarHBondContact OG-N 2.86Å; S92-I94 PolarHBondContact OG-O 2.82Å | ||
| 95 | C | 88 | Confident | 84 | Confident | 32 Ų | 32 | 73.2 Ų | 73.2 | 22% | 0.216 | 42% | 0.418 | C | S | . | . | trans | -99.9 | 132.2 | 162.5 | -178.3 | 0 | 0 | 0 | 0 | 108.8 | Y68 S97 C113 | Y68-C95 HydrophobicContact CD1-CB 4.12Å; Y68-C95 HydrophobicContact CD2-CB 4.15Å; Y68-C95 HydrophobicContact CE1-CB 4.43Å; Y68-C95 HydrophobicContact CE2-CB 4.46Å; Y68-C95 HydrophobicContact CG-CB 3.97Å; C95-S97 PolarHBondContact O-N 2.87Å; C95-C113 HydrophobicContact CB-CB 3.72Å; C95-C113 WeakPolarHBondContact CB-SG 3.39Å; C95-C113 WeakPolarHBondContact SG-CB 3.26Å; C95-C113 CovalentContact SG-SG 2.03Å; C95-C113 PolarHBondContact SG-SG 3.09Å | ||
| 96 | P | 79.3 | Confident | 83.6 | Confident | 47 Ų | 47 | 72.4 Ų | 72.4 | 31% | 0.305 | 42% | 0.423 | S | S | . | . | trans | -55.7 | 136.9 | 167.2 | 23.6 | -31.6 | 0 | 0 | 0 | 109.2 | E98 V100 | P96-E98 PolarHBondContact O-N 3.45Å; P96-V100 HydrophobicContact CB-CG2 4.13Å; P96-V100 HydrophobicContact CG-CG2 4.43Å | ||
| 97 | S | 63.2 | Low | 83.3 | Confident | 120 Ų | 120 | 72 Ų | 72 | 84% | 0.839 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -55.4 | -13.4 | -160.7 | -45.2 | 0 | 0 | 0 | 0 | 116.6 | C95 | C95-S97 PolarHBondContact O-N 2.87Š|
| 98 | E | 65.1 | Low | 83 | Confident | 153 Ų | 153 | 73.2 Ų | 73.2 | 72% | 0.715 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -148.8 | 155.5 | 173.5 | -60.4 | -68.1 | 160.7 | 0 | 0 | 107.9 | P96 V100 | P96-E98 PolarHBondContact O-N 3.45Å; E98-V100 WeakPolarHBondContact O-CG2 3.44Å; E98-V100 PolarHBondContact O-N 2.8Å |
| 99 | N | 62.2 | Low | 82.7 | Confident | 88 Ų | 88 | 73.8 Ų | 73.8 | 47% | 0.471 | 44% | 0.439 | S | S | . | . | trans | -57.3 | 107.5 | 170.7 | -62.6 | -47.8 | 0 | 0 | 0 | 109 | N101 S111 Y112 C113 | N99-N101 PolarHBondContact O-N 2.02Å; N99-S111 CarbonylContact C-O 3.57Å; N99-S111 WeakPolarHBondContact CA-O 3.21Å; N99-S111 VanDerWaalsContact CB-O 3.31Å; N99-S111 WeakPolarHBondContact CB-O 3.34Å; N99-Y112 WeakPolarHBondContact OD1-CA 3.33Å; N99-Y112 WeakPolarHBondContact OD1-CD2 3.28Å; N99-C113 PolarHBondContact OD1-N 2.95Å | ||
| 100 | V | 72.4 | Confident | 82.4 | Confident | 68 Ų | 68 | 74.5 Ų | 74.5 | 41% | 0.412 | 45% | 0.445 | S | S | . | . | trans | -80.9 | 115.3 | -174.4 | -178.5 | 0 | 0 | 0 | 0 | 107.9 | P96 E98 L102 N110 S111 | P96-V100 HydrophobicContact CB-CG2 4.13Å; P96-V100 HydrophobicContact CG-CG2 4.43Å; E98-V100 WeakPolarHBondContact O-CG2 3.44Å; E98-V100 PolarHBondContact O-N 2.8Å; V100-L102 HydrophobicContact CG1-CB 4.37Å; V100-N110 CarbonylContact O-C 3.57Å; V100-N110 WeakPolarHBondContact O-CA 3.45Å; V100-S111 WeakPolarHBondContact CB-OG 3.46Å; V100-S111 PolarHBondContact N-O 2.73Å; V100-S111 PolarHBondContact N-OG 2.95Å; V100-S111 VanDerWaalsContact N-OG 3.09Å; V100-S111 PolarHBondContact O-N 3.07Å | ||
| 101 | N | 74.4 | Confident | 82.3 | Confident | 114 Ų | 114 | 74.2 Ų | 74.2 | 61% | 0.61 | 44% | 0.441 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 94 | 165.5 | -178.4 | 13.8 | 0 | 0 | 0 | 108.5 | N99 V109 N110 | N99-N101 PolarHBondContact O-N 2.02Å; N101-V109 WeakPolarHBondContact CA-O 3.21Å; N101-N110 WeakPolarHBondContact CB-OD1 3.38Å |
| 102 | L | 79.3 | Confident | 82.1 | Confident | 104 Ų | 104 | 78 Ų | 78 | 55% | 0.545 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 119 | 175 | -179.5 | 63.2 | 0 | 0 | 0 | 108.6 | V100 S108 V109 | V100-L102 HydrophobicContact CG1-CB 4.37Å; L102-S108 CarbonylContact O-C 3.5Å; L102-S108 WeakPolarHBondContact O-CA 3.46Å; L102-V109 PolarHBondContact N-O 3.06Å; L102-V109 PolarHBondContact O-N 3.23Å |
| 103 | N | 79.4 | Confident | 82.1 | Confident | 110 Ų | 110 | 77.7 Ų | 77.7 | 59% | 0.588 | 45% | 0.448 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 116 | 171.7 | -172.1 | -54.2 | 0 | 0 | 0 | 109.4 | G105 | N103-G105 WeakPolarHBondContact OD1-CA 3.31Å; N103-G105 PolarHBondContact OD1-N 3.48Å |
| 104 | L | 81.8 | Confident | 82 | Confident | 138 Ų | 138 | 76.4 Ų | 76.4 | 72% | 0.723 | 44% | 0.441 | S | S | * | . | trans | -108 | 41.7 | 178.7 | -164 | 65.8 | 0 | 0 | 0 | 110.7 | V106 A107 | L104-V106 PolarHBondContact O-N 3.2Å; L104-A107 PolarHBondContact N-O 2.86Å | ||
| 105 | G | 81.3 | Confident | 81.9 | Confident | 58 Ų | 58 | 77.2 Ų | 77.2 | 60% | 0.598 | 44% | 0.441 | S | S | * | . | S | Bend | trans | 72.7 | -57.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | N103 | N103-G105 WeakPolarHBondContact OD1-CA 3.31Å; N103-G105 PolarHBondContact OD1-N 3.48Å |
| 106 | V | 83.8 | Confident | 81.1 | Confident | 81 Ų | 81 | 79.6 Ų | 79.6 | 49% | 0.491 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -100.9 | -11.9 | -179.8 | -62.5 | 0 | 0 | 0 | 0 | 113.5 | A76 G77 F78 L104 | A76-V106 CarbonylContact C-O 3.53Å; A76-V106 WeakPolarHBondContact CA-O 2.96Å; G77-V106 PolarHBondContact N-O 3.01Å; G77-V106 CarbonylContact O-C 3.45Å; G77-V106 WeakPolarHBondContact O-CA 3.48Å; F78-V106 HydrophobicContact CD2-CG1 4.22Å; L104-V106 PolarHBondContact O-N 3.2Å |
| 107 | A | 88.2 | Confident | 80.1 | Confident | 42 Ų | 42 | 82.3 Ų | 82.3 | 35% | 0.347 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 147.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | A75 L104 | A75-A107 CarbonylContact O-C 3.58Å; A75-A107 WeakPolarHBondContact O-CA 3.35Å; L104-A107 PolarHBondContact N-O 2.86Å |
| 108 | S | 88.7 | Confident | 81 | Confident | 34 Ų | 34 | 80.5 Ų | 80.5 | 24% | 0.238 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 143.2 | 173.6 | 59.9 | 0 | 0 | 0 | 0 | 110.8 | A74 A75 L102 | A74-S108 CarbonylContact C-O 3.47Å; A74-S108 VanDerWaalsContact CA-O 3.28Å; A74-S108 WeakPolarHBondContact CA-O 3.33Å; A75-S108 PolarHBondContact N-O 3.3Å; A75-S108 PolarHBondContact O-N 3Å; A75-S108 PolarHBondContact O-OG 2.9Å; L102-S108 CarbonylContact O-C 3.5Å; L102-S108 WeakPolarHBondContact O-CA 3.46Å |
| 109 | V | 89.7 | Confident | 81.8 | Confident | 59 Ų | 59 | 76.6 Ų | 76.6 | 36% | 0.358 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 125.4 | 173.9 | -179.5 | 0 | 0 | 0 | 0 | 107.8 | L72 S73 A74 N101 L102 | L72-V109 HydrophobicContact CD2-CG1 4.49Å; S73-V109 CarbonylContact O-C 3.54Å; S73-V109 WeakPolarHBondContact O-CA 3.45Å; A74-V109 HydrophobicContact CB-CG2 4.3Å; N101-V109 WeakPolarHBondContact CA-O 3.21Å; L102-V109 PolarHBondContact N-O 3.06Å; L102-V109 PolarHBondContact O-N 3.23Å |
| 110 | N | 89.7 | Confident | 82.9 | Confident | 58 Ų | 58 | 76 Ų | 76 | 31% | 0.31 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 124.8 | 176.8 | -163.3 | 85.7 | 0 | 0 | 0 | 110.7 | L72 S73 V100 N101 | L72-N110 WeakPolarHBondContact CA-O 3.44Å; S73-N110 PolarHBondContact N-O 3.19Å; S73-N110 PolarHBondContact O-N 3.09Å; S73-N110 WeakPolarHBondContact OG-CB 3.04Å; S73-N110 PolarHBondContact OG-O 2.78Å; V100-N110 CarbonylContact O-C 3.57Å; V100-N110 WeakPolarHBondContact O-CA 3.45Å; N101-N110 WeakPolarHBondContact CB-OD1 3.38Å |
| 111 | S | 91.9 | Very high | 83.5 | Confident | 7 Ų | 7 | 76.5 Ų | 76.5 | 5% | 0.049 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 136.2 | 171.7 | 73.1 | 0 | 0 | 0 | 0 | 111 | T71 N99 V100 | T71-S111 CarbonylContact O-C 3.52Å; T71-S111 VanDerWaalsContact O-CA 3.32Å; T71-S111 WeakPolarHBondContact O-CA 3.33Å; N99-S111 CarbonylContact C-O 3.57Å; N99-S111 WeakPolarHBondContact CA-O 3.21Å; N99-S111 VanDerWaalsContact CB-O 3.31Å; N99-S111 WeakPolarHBondContact CB-O 3.34Å; V100-S111 WeakPolarHBondContact CB-OG 3.46Å; V100-S111 PolarHBondContact N-O 2.73Å; V100-S111 PolarHBondContact N-OG 2.95Å; V100-S111 VanDerWaalsContact N-OG 3.09Å; V100-S111 PolarHBondContact O-N 3.07Å |
| 112 | Y | 90.9 | Very high | 84.1 | Confident | 118 Ų | 118 | 74.1 Ų | 74.1 | 46% | 0.463 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 137.6 | 174.7 | 179 | -96.2 | 0 | 0 | 0 | 110.4 | I70 T71 N99 C114 | I70-Y112 CarbonylContact C-O 3.46Å; I70-Y112 WeakPolarHBondContact CA-O 3.39Å; T71-Y112 PolarHBondContact N-O 3.21Å; T71-Y112 PolarHBondContact O-N 3.24Å; N99-Y112 WeakPolarHBondContact OD1-CA 3.33Å; N99-Y112 WeakPolarHBondContact OD1-CD2 3.28Å; Y112-C114 HydrophobicContact CE1-CB 4Å |
| 113 | C | 92.6 | Very high | 84.4 | Confident | 18 Ų | 18 | 72.1 Ų | 72.1 | 12% | 0.122 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 149.3 | 175.3 | -51.2 | 0 | 0 | 0 | 0 | 112.4 | C69 C95 N99 | C69-C113 CarbonylContact O-C 3.56Å; C69-C113 VanDerWaalsContact O-CA 3.23Å; C69-C113 WeakPolarHBondContact O-CA 3.41Å; C95-C113 HydrophobicContact CB-CB 3.72Å; C95-C113 WeakPolarHBondContact CB-SG 3.39Å; C95-C113 WeakPolarHBondContact SG-CB 3.26Å; C95-C113 CovalentContact SG-SG 2.03Å; C95-C113 PolarHBondContact SG-SG 3.09Å; N99-C113 PolarHBondContact OD1-N 2.95Å |
| 114 | C | 90.9 | Very high | 84.7 | Confident | 33 Ų | 33 | 69.4 Ų | 69.4 | 22% | 0.223 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 155.1 | 169.5 | 49.1 | 0 | 0 | 0 | 0 | 110.3 | Y68 C69 Y112 S116 | Y68-C114 CarbonylContact C-O 3.59Å; Y68-C114 WeakPolarHBondContact CA-O 3.46Å; C69-C114 PolarHBondContact N-O 3.16Å; C69-C114 PolarHBondContact O-N 3.27Å; Y112-C114 HydrophobicContact CE1-CB 4Å; C114-S116 VanDerWaalsContact C-N 3.34Å; C114-S116 PolarHBondContact SG-O 3.02Å |
| 115 | Q | 86.4 | Confident | 85 | Confident | 139 Ų | 139 | 64.2 Ų | 64.2 | 65% | 0.65 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -96.7 | 8.3 | 176.4 | -167.2 | 163.9 | 26 | 0 | 0 | 111.9 | L42 H67 | L42-Q115 VanDerWaalsContact CD1-O 3.24Å; L42-Q115 WeakPolarHBondContact CD1-O 3.45Å; H67-Q115 WeakPolarHBondContact O-CG 3.27Å |
| 116 | S | 71.8 | Confident | 85.3 | Confident | 83 Ų | 83 | 64.7 Ų | 64.7 | 58% | 0.58 | 38% | 0.38 | S | S | * | . | trans | -140.5 | 155.7 | 179.7 | -164.1 | 0 | 0 | 0 | 0 | 109.5 | C114 | C114-S116 VanDerWaalsContact C-N 3.34Å; C114-S116 PolarHBondContact SG-O 3.02Å | ||
| 117 | S | 58.7 | Low | 85.4 | Confident | 104 Ų | 104 | 63.2 Ų | 63.2 | 73% | 0.727 | 37% | 0.37 | S | S | * | . | trans | -67.8 | 0 | -175.1 | 62.3 | 0 | 0 | 0 | 0 | 113.7 | M43 | M43-S117 WeakPolarHBondContact O-CB 3.04Š|
Retrieved 117 of 117 residues in 41.4 ms
(Link to these results)