| 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 | 79.7 | Confident | 91.5 | Very high | 192 Ų | 192 | 107.2 Ų | 107.2 | 95% | 0.946 | 50% | 0.504 | S | S | * | . | 0 | -42.6 | 0 | -159 | -179.7 | -84 | 0 | 0 | 113 | Q3 T4 S5 | M1-Q3 VanDerWaalsContact C-N 3.3Å; M1-Q3 PolarHBondContact O-N 3.44Å; M1-T4 PolarHBondContact O-N 3Å; M1-T4 PolarHBondContact O-OG1 2.94Å; M1-S5 PolarHBondContact O-N 3.13Å; M1-S5 VanDerWaalsContact O-N 3.1Å; M1-S5 PolarHBondContact O-OG 3.26Å | |||
| 2 | V | 91.9 | Very high | 91.4 | Very high | 98 Ų | 98 | 103.8 Ų | 103.8 | 59% | 0.594 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -60.4 | -38.4 | 178.6 | -179.2 | 0 | 0 | 0 | 0 | 112.8 | S5 K6 | V2-S5 WeakPolarHBondContact CA-OG 3.31Å; V2-S5 PolarHBondContact O-OG 3.32Å; V2-K6 HydrophobicContact CG1-CD 4.15Å; V2-K6 HydrophobicContact CG1-CG 4.46Å; V2-K6 WeakPolarHBondContact O-CB 3.44Å; V2-K6 VanDerWaalsContact O-CG 3.31Å; V2-K6 WeakPolarHBondContact O-CG 3.11Å; V2-K6 PolarHBondContact O-N 3.14Å |
| 3 | Q | 93.9 | Very high | 91 | Very high | 112 Ų | 112 | 105 Ų | 105 | 52% | 0.523 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.4 | -43 | 179.1 | -172.8 | 62.1 | 10.7 | 0 | 0 | 112.2 | M1 S5 K6 E7 | M1-Q3 VanDerWaalsContact C-N 3.3Å; M1-Q3 PolarHBondContact O-N 3.44Å; Q3-S5 VanDerWaalsContact C-N 3.33Å; Q3-S5 PolarHBondContact O-N 2.86Å; Q3-K6 PolarHBondContact O-N 3.04Å; Q3-E7 HydrophobicContact CG-CG 4.49Å; Q3-E7 WeakPolarHBondContact CG-OE1 3.47Å; Q3-E7 PolarHBondContact NE2-OE1 3.34Å; Q3-E7 WeakPolarHBondContact O-CB 3.33Å; Q3-E7 WeakPolarHBondContact O-CG 3.38Å; Q3-E7 PolarHBondContact O-N 2.94Å |
| 4 | T | 91.8 | Very high | 90.7 | Very high | 76 Ų | 76 | 103.9 Ų | 103.9 | 47% | 0.466 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.5 | -37.2 | 179.4 | 55.1 | 0 | 0 | 0 | 0 | 111.8 | M1 A8 | M1-T4 PolarHBondContact O-N 3Å; M1-T4 PolarHBondContact O-OG1 2.94Å; T4-A8 WeakPolarHBondContact O-CB 3.35Å; T4-A8 PolarHBondContact O-N 2.93Å |
| 5 | S | 91.3 | Very high | 90.6 | Very high | 28 Ų | 28 | 100 Ų | 100 | 20% | 0.196 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -68.4 | -44 | 173.9 | 54.3 | 0 | 0 | 0 | 0 | 112.1 | M1 V2 Q3 E7 A8 L9 F24 | M1-S5 PolarHBondContact O-N 3.13Å; M1-S5 VanDerWaalsContact O-N 3.1Å; M1-S5 PolarHBondContact O-OG 3.26Å; V2-S5 WeakPolarHBondContact CA-OG 3.31Å; V2-S5 PolarHBondContact O-OG 3.32Å; Q3-S5 VanDerWaalsContact C-N 3.33Å; Q3-S5 PolarHBondContact O-N 2.86Å; S5-E7 PolarHBondContact O-N 3.3Å; S5-A8 PolarHBondContact O-N 3.47Å; S5-L9 WeakPolarHBondContact O-CB 3.43Å; S5-L9 WeakPolarHBondContact O-CG 3.38Å; S5-L9 PolarHBondContact O-N 3.46Å; S5-F24 VanDerWaalsContact CB-CZ 3.47Å |
| 6 | K | 94.5 | Very high | 90.9 | Very high | 131 Ų | 131 | 101.7 Ų | 101.7 | 57% | 0.57 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -59 | -46.4 | 174.8 | -75.9 | 178.5 | 178.6 | -177.5 | 0 | 112.2 | V2 Q3 L9 R10 | V2-K6 HydrophobicContact CG1-CD 4.15Å; V2-K6 HydrophobicContact CG1-CG 4.46Å; V2-K6 WeakPolarHBondContact O-CB 3.44Å; V2-K6 VanDerWaalsContact O-CG 3.31Å; V2-K6 WeakPolarHBondContact O-CG 3.11Å; V2-K6 PolarHBondContact O-N 3.14Å; Q3-K6 PolarHBondContact O-N 3.04Å; K6-L9 PolarHBondContact O-N 3.43Å; K6-R10 WeakPolarHBondContact O-CB 3.49Å; K6-R10 PolarHBondContact O-N 2.83Å |
| 7 | E | 94.3 | Very high | 91 | Very high | 83 Ų | 83 | 104.9 Ų | 104.9 | 39% | 0.388 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.9 | -43.1 | 177.9 | -74 | 174.5 | -169.3 | 0 | 0 | 112 | Q3 S5 R10 R11 | Q3-E7 HydrophobicContact CG-CG 4.49Å; Q3-E7 WeakPolarHBondContact CG-OE1 3.47Å; Q3-E7 PolarHBondContact NE2-OE1 3.34Å; Q3-E7 WeakPolarHBondContact O-CB 3.33Å; Q3-E7 WeakPolarHBondContact O-CG 3.38Å; Q3-E7 PolarHBondContact O-N 2.94Å; S5-E7 PolarHBondContact O-N 3.3Å; E7-R10 PolarHBondContact O-N 3.24Å; E7-R11 WeakPolarHBondContact O-CG 3.37Å; E7-R11 PolarHBondContact O-N 3.08Å |
| 8 | A | 91.3 | Very high | 91.3 | Very high | 20 Ų | 20 | 106.1 Ų | 106.1 | 17% | 0.165 | 53% | 0.534 | C | S | . | . | H | α-helix | trans | -63.3 | -43.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | T4 S5 R10 R11 F12 F24 | T4-A8 WeakPolarHBondContact O-CB 3.35Å; T4-A8 PolarHBondContact O-N 2.93Å; S5-A8 PolarHBondContact O-N 3.47Å; A8-R10 VanDerWaalsContact C-N 3.31Å; A8-R10 PolarHBondContact O-N 2.88Å; A8-R11 WeakPolarHBondContact O-CB 3.21Å; A8-R11 PolarHBondContact O-N 2.97Å; A8-R11 VanDerWaalsContact O-N 3.14Å; A8-F12 WeakPolarHBondContact O-CD2 3.36Å; A8-F12 PolarHBondContact O-N 3.38Å; A8-F24 HydrophobicContact CB-CD2 3.4Å; A8-F24 VanDerWaalsContact CB-CD2 3.4Å; A8-F24 HydrophobicContact CB-CE2 3.66Å; A8-F24 HydrophobicContact CB-CG 4.45Å |
| 9 | L | 92.6 | Very high | 91.4 | Very high | 24 Ų | 24 | 105.8 Ų | 105.8 | 13% | 0.126 | 53% | 0.531 | C | S | . | . | H | α-helix | trans | -65.7 | -33.6 | 176.8 | -68.3 | 171.3 | 0 | 0 | 0 | 112.3 | S5 K6 R11 W17 R20 L21 F24 | S5-L9 WeakPolarHBondContact O-CB 3.43Å; S5-L9 WeakPolarHBondContact O-CG 3.38Å; S5-L9 PolarHBondContact O-N 3.46Å; K6-L9 PolarHBondContact O-N 3.43Å; L9-R11 VanDerWaalsContact C-N 3.33Å; L9-W17 HydrophobicContact CB-CH2 4.49Å; L9-W17 HydrophobicContact CD1-CH2 3.82Å; L9-W17 HydrophobicContact CD1-CZ2 4.24Å; L9-R20 HydrophobicContact CD2-CB 4.29Å; L9-L21 HydrophobicContact CD2-CD1 4.45Å; L9-F24 HydrophobicContact CD2-CB 4.09Å |
| 10 | R | 92.7 | Very high | 91.5 | Very high | 222 Ų | 222 | 104 Ų | 104 | 84% | 0.838 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.8 | -32.7 | 172.6 | -174.2 | 179.3 | 176.7 | -171.5 | -0.6 | 112.5 | K6 E7 A8 | K6-R10 WeakPolarHBondContact O-CB 3.49Å; K6-R10 PolarHBondContact O-N 2.83Å; E7-R10 PolarHBondContact O-N 3.24Å; A8-R10 VanDerWaalsContact C-N 3.31Å; A8-R10 PolarHBondContact O-N 2.88Å |
| 11 | R | 92.4 | Very high | 91.7 | Very high | 193 Ų | 193 | 101.9 Ų | 101.9 | 73% | 0.728 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -70.3 | -32.9 | 178.6 | -73 | 171.6 | -176.1 | -176.8 | 2.4 | 113 | E7 A8 L9 T13 | E7-R11 WeakPolarHBondContact O-CG 3.37Å; E7-R11 PolarHBondContact O-N 3.08Å; A8-R11 WeakPolarHBondContact O-CB 3.21Å; A8-R11 PolarHBondContact O-N 2.97Å; A8-R11 VanDerWaalsContact O-N 3.14Å; L9-R11 VanDerWaalsContact C-N 3.33Å; R11-T13 PolarHBondContact O-N 2.93Å; R11-T13 VanDerWaalsContact O-N 3.13Å |
| 12 | F | 90.2 | Very high | 92.3 | Very high | 67 Ų | 67 | 95.2 Ų | 95.2 | 29% | 0.294 | 48% | 0.483 | S | S | . | . | trans | -74.2 | 104.4 | 176.7 | -64.5 | -61.8 | 0 | 0 | 0 | 110.1 | A8 R20 F24 | A8-F12 WeakPolarHBondContact O-CD2 3.36Å; A8-F12 PolarHBondContact O-N 3.38Å; F12-R20 HydrophobicContact CB-CB 3.99Å; F12-R20 HydrophobicContact CB-CG 3.77Å; F12-R20 HydrophobicContact CD2-CB 4.48Å; F12-R20 VanDerWaalsContact O-CD 3.31Å; F12-R20 WeakPolarHBondContact O-CD 3.22Å; F12-R20 PolarHBondContact O-NE 2.94Å; F12-R20 PolarHBondContact O-NH1 3.2Å; F12-F24 HydrophobicContact CE2-CB 3.98Å | ||
| 13 | T | 86.2 | Confident | 92.3 | Very high | 119 Ų | 119 | 92.5 Ų | 92.5 | 73% | 0.73 | 47% | 0.468 | S | S | * | . | trans | -89.5 | -23.7 | -178.3 | 52.5 | 0 | 0 | 0 | 0 | 113.2 | R11 R20 | R11-T13 PolarHBondContact O-N 2.93Å; R11-T13 VanDerWaalsContact O-N 3.13Å; T13-R20 PolarHBondContact O-NH2 2.88Å | ||
| 14 | S | 87.8 | Confident | 92.3 | Very high | 89 Ų | 89 | 88.1 Ų | 88.1 | 62% | 0.622 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -103.7 | 142.1 | -173.7 | 59 | 0 | 0 | 0 | 0 | 113.1 | ||
| 15 | G | 89.1 | Confident | 92.4 | Very high | 46 Ų | 46 | 88.2 Ų | 88.2 | 47% | 0.474 | 45% | 0.445 | S | S | . | . | S | Bend | trans | 86.5 | 168.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | R20 | G15-R20 PolarHBondContact O-NE 3.29Å; G15-R20 PolarHBondContact O-NH2 3.01Å |
| 16 | D | 94.4 | Very high | 92.5 | Very high | 127 Ų | 127 | 90.5 Ų | 90.5 | 68% | 0.679 | 45% | 0.454 | S | S | * | . | trans | -59.9 | 157.9 | 179.4 | -61.2 | -34.3 | 0 | 0 | 0 | 112.1 | N18 Q19 R20 | D16-N18 PolarHBondContact O-N 3.18Å; D16-Q19 WeakPolarHBondContact O-CB 3.46Å; D16-Q19 PolarHBondContact O-N 2.89Å; D16-R20 PolarHBondContact O-N 2.81Å; D16-R20 VanDerWaalsContact O-N 3.08Å | ||
| 17 | W | 94 | Very high | 92.4 | Very high | 157 Ų | 157 | 86.2 Ų | 86.2 | 60% | 0.595 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -50.9 | -44.4 | 177.4 | 178.2 | -107 | 0 | 0 | 0 | 112.7 | L9 Q19 R20 L21 | L9-W17 HydrophobicContact CB-CH2 4.49Å; L9-W17 HydrophobicContact CD1-CH2 3.82Å; L9-W17 HydrophobicContact CD1-CZ2 4.24Å; W17-Q19 VanDerWaalsContact C-N 3.3Å; W17-Q19 PolarHBondContact O-N 3.43Å; W17-R20 PolarHBondContact O-N 3.31Å; W17-L21 PolarHBondContact O-N 3.1Å |
| 18 | N | 95.1 | Very high | 92.3 | Very high | 126 Ų | 126 | 86.7 Ų | 86.7 | 67% | 0.674 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -61.5 | -38.1 | 178.1 | -67.1 | -32 | 0 | 0 | 0 | 112.2 | D16 L21 A22 | D16-N18 PolarHBondContact O-N 3.18Å; N18-L21 PolarHBondContact O-N 2.96Å; N18-A22 VanDerWaalsContact O-CB 3.24Å; N18-A22 WeakPolarHBondContact O-CB 3.24Å; N18-A22 PolarHBondContact O-N 3.11Å |
| 19 | Q | 94 | Very high | 92.5 | Very high | 101 Ų | 101 | 89 Ų | 89 | 47% | 0.472 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -68.7 | -38.8 | 178.8 | -171 | 64.2 | 15 | 0 | 0 | 111.7 | D16 W17 S23 | D16-Q19 WeakPolarHBondContact O-CB 3.46Å; D16-Q19 PolarHBondContact O-N 2.89Å; W17-Q19 VanDerWaalsContact C-N 3.3Å; W17-Q19 PolarHBondContact O-N 3.43Å; Q19-S23 WeakPolarHBondContact O-CB 3.22Å; Q19-S23 PolarHBondContact O-N 3.28Å; Q19-S23 PolarHBondContact O-OG 2.92Å |
| 20 | R | 93.8 | Very high | 92.5 | Very high | 69 Ų | 69 | 90.7 Ų | 90.7 | 26% | 0.26 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -65.2 | -45.4 | 175.8 | -60 | -179.1 | -170.7 | -163 | 4.1 | 110.9 | L9 F12 T13 G15 D16 W17 S23 F24 | L9-R20 HydrophobicContact CD2-CB 4.29Å; F12-R20 HydrophobicContact CB-CB 3.99Å; F12-R20 HydrophobicContact CB-CG 3.77Å; F12-R20 HydrophobicContact CD2-CB 4.48Å; F12-R20 VanDerWaalsContact O-CD 3.31Å; F12-R20 WeakPolarHBondContact O-CD 3.22Å; F12-R20 PolarHBondContact O-NE 2.94Å; F12-R20 PolarHBondContact O-NH1 3.2Å; T13-R20 PolarHBondContact O-NH2 2.88Å; G15-R20 PolarHBondContact O-NE 3.29Å; G15-R20 PolarHBondContact O-NH2 3.01Å; D16-R20 PolarHBondContact O-N 2.81Å; D16-R20 VanDerWaalsContact O-N 3.08Å; W17-R20 PolarHBondContact O-N 3.31Å; R20-S23 PolarHBondContact O-N 3.26Å; R20-F24 WeakPolarHBondContact O-CB 3.31Å; R20-F24 PolarHBondContact O-N 3.34Å |
| 21 | L | 94.7 | Very high | 92.5 | Very high | 60 Ų | 60 | 84.4 Ų | 84.4 | 31% | 0.314 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62.8 | -46.2 | 176.3 | -177.7 | 61.9 | 0 | 0 | 0 | 111.6 | L9 W17 N18 S23 F24 L25 | L9-L21 HydrophobicContact CD2-CD1 4.45Å; W17-L21 PolarHBondContact O-N 3.1Å; N18-L21 PolarHBondContact O-N 2.96Å; L21-S23 VanDerWaalsContact C-N 3.32Å; L21-S23 PolarHBondContact O-N 2.76Å; L21-F24 WeakPolarHBondContact O-CB 3.34Å; L21-F24 PolarHBondContact O-N 3.35Å; L21-L25 HydrophobicContact CD1-CD1 4.2Å; L21-L25 HydrophobicContact CD1-CG 4.22Å; L21-L25 HydrophobicContact CG-CD1 4.02Å; L21-L25 HydrophobicContact CG-CG 4.43Å; L21-L25 WeakPolarHBondContact O-CB 3.4Å; L21-L25 WeakPolarHBondContact O-CG 3.34Å; L21-L25 PolarHBondContact O-N 3.41Å |
| 22 | A | 93.6 | Very high | 92.5 | Very high | 52 Ų | 52 | 78.7 Ų | 78.7 | 43% | 0.43 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -60.1 | -42.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | N18 L25 L26 | N18-A22 VanDerWaalsContact O-CB 3.24Å; N18-A22 WeakPolarHBondContact O-CB 3.24Å; N18-A22 PolarHBondContact O-N 3.11Å; A22-L25 PolarHBondContact O-N 2.84Å; A22-L26 WeakPolarHBondContact O-CB 3.5Å; A22-L26 PolarHBondContact O-N 3.39Å |
| 23 | S | 91.9 | Very high | 92.5 | Very high | 41 Ų | 41 | 78.1 Ų | 78.1 | 29% | 0.287 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -65.1 | -42 | 177.2 | -58.5 | 0 | 0 | 0 | 0 | 111.9 | Q19 R20 L21 S27 | Q19-S23 WeakPolarHBondContact O-CB 3.22Å; Q19-S23 PolarHBondContact O-N 3.28Å; Q19-S23 PolarHBondContact O-OG 2.92Å; R20-S23 PolarHBondContact O-N 3.26Å; L21-S23 VanDerWaalsContact C-N 3.32Å; L21-S23 PolarHBondContact O-N 2.76Å; S23-S27 PolarHBondContact O-N 2.85Å |
| 24 | F | 93.4 | Very high | 93 | Very high | 19 Ų | 19 | 79.7 Ų | 79.7 | 8% | 0.083 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -60.2 | -52.9 | 173.4 | 171.3 | -108.4 | 0 | 0 | 0 | 111.6 | S5 A8 L9 F12 R20 L21 L26 S27 Q28 | S5-F24 VanDerWaalsContact CB-CZ 3.47Å; A8-F24 HydrophobicContact CB-CD2 3.4Å; A8-F24 VanDerWaalsContact CB-CD2 3.4Å; A8-F24 HydrophobicContact CB-CE2 3.66Å; A8-F24 HydrophobicContact CB-CG 4.45Å; L9-F24 HydrophobicContact CD2-CB 4.09Å; F12-F24 HydrophobicContact CE2-CB 3.98Å; R20-F24 WeakPolarHBondContact O-CB 3.31Å; R20-F24 PolarHBondContact O-N 3.34Å; L21-F24 WeakPolarHBondContact O-CB 3.34Å; L21-F24 PolarHBondContact O-N 3.35Å; F24-L26 VanDerWaalsContact C-N 3.33Å; F24-L26 PolarHBondContact O-N 3.06Å; F24-S27 PolarHBondContact O-N 2.67Å; F24-S27 PolarHBondContact O-OG 3.27Å; F24-Q28 HydrophobicContact CD2-CG 4.42Å; F24-Q28 HydrophobicContact CE1-CG 4.22Å; F24-Q28 HydrophobicContact CE2-CG 3.93Å; F24-Q28 HydrophobicContact CZ-CG 3.8Å; F24-Q28 PolarHBondContact O-N 2.81Å; F24-Q28 VanDerWaalsContact O-N 3.1Å |
| 25 | L | 93.7 | Very high | 93.3 | Very high | 79 Ų | 79 | 81.8 Ų | 81.8 | 41% | 0.414 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.4 | -40.9 | -178.9 | -69.5 | 175.2 | 0 | 0 | 0 | 111.9 | L21 A22 S27 Q28 H29 | L21-L25 HydrophobicContact CD1-CD1 4.2Å; L21-L25 HydrophobicContact CD1-CG 4.22Å; L21-L25 HydrophobicContact CG-CD1 4.02Å; L21-L25 HydrophobicContact CG-CG 4.43Å; L21-L25 WeakPolarHBondContact O-CB 3.4Å; L21-L25 WeakPolarHBondContact O-CG 3.34Å; L21-L25 PolarHBondContact O-N 3.41Å; A22-L25 PolarHBondContact O-N 2.84Å; L25-S27 VanDerWaalsContact C-N 3.34Å; L25-S27 PolarHBondContact O-N 3.1Å; L25-Q28 PolarHBondContact O-N 3.46Å; L25-H29 WeakPolarHBondContact O-CB 3.49Å; L25-H29 PolarHBondContact O-CD2 3.18Å; L25-H29 PolarHBondContact O-N 3.44Å |
| 26 | L | 93.8 | Very high | 93.5 | Very high | 75 Ų | 75 | 83.1 Ų | 83.1 | 39% | 0.393 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -58.8 | -46.6 | 175.2 | -178 | 64.5 | 0 | 0 | 0 | 110.8 | A22 F24 Q28 H29 I30 L49 | A22-L26 WeakPolarHBondContact O-CB 3.5Å; A22-L26 PolarHBondContact O-N 3.39Å; F24-L26 VanDerWaalsContact C-N 3.33Å; F24-L26 PolarHBondContact O-N 3.06Å; L26-Q28 VanDerWaalsContact C-N 3.3Å; L26-Q28 PolarHBondContact O-N 3.44Å; L26-H29 PolarHBondContact O-N 2.88Å; L26-H29 VanDerWaalsContact O-N 3.16Å; L26-I30 HydrophobicContact CD1-CG2 3.92Å; L26-I30 HydrophobicContact CG-CG2 4.39Å; L26-I30 WeakPolarHBondContact O-CG1 3.44Å; L26-I30 WeakPolarHBondContact O-CG2 3.32Å; L26-I30 PolarHBondContact O-N 3.26Å; L26-L49 HydrophobicContact CD1-CD1 4.31Å |
| 27 | S | 92.1 | Very high | 93.4 | Very high | 42 Ų | 42 | 79.7 Ų | 79.7 | 29% | 0.294 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -59.4 | -40.3 | 178.2 | 74.6 | 0 | 0 | 0 | 0 | 112.5 | S23 F24 L25 T31 | S23-S27 PolarHBondContact O-N 2.85Å; F24-S27 PolarHBondContact O-N 2.67Å; F24-S27 PolarHBondContact O-OG 3.27Å; L25-S27 VanDerWaalsContact C-N 3.34Å; L25-S27 PolarHBondContact O-N 3.1Å; S27-T31 WeakPolarHBondContact O-CB 3.46Å; S27-T31 PolarHBondContact O-N 2.64Å; S27-T31 PolarHBondContact O-OG1 2.7Å |
| 28 | Q | 92.5 | Very high | 93.4 | Very high | 92 Ų | 92 | 79.1 Ų | 79.1 | 43% | 0.43 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -66.3 | -39.8 | 176.9 | -69.9 | -65.9 | -26.9 | 0 | 0 | 111.8 | F24 L25 L26 | F24-Q28 HydrophobicContact CD2-CG 4.42Å; F24-Q28 HydrophobicContact CE1-CG 4.22Å; F24-Q28 HydrophobicContact CE2-CG 3.93Å; F24-Q28 HydrophobicContact CZ-CG 3.8Å; F24-Q28 PolarHBondContact O-N 2.81Å; F24-Q28 VanDerWaalsContact O-N 3.1Å; L25-Q28 PolarHBondContact O-N 3.46Å; L26-Q28 VanDerWaalsContact C-N 3.3Å; L26-Q28 PolarHBondContact O-N 3.44Å |
| 29 | H | 93.5 | Very high | 93.4 | Very high | 70 Ų | 70 | 73.3 Ų | 73.3 | 32% | 0.324 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -78.5 | -24.5 | -175.7 | -78.9 | -157.4 | 0 | 0 | 0 | 114.3 | L25 L26 S39 A41 L49 | L25-H29 WeakPolarHBondContact O-CB 3.49Å; L25-H29 PolarHBondContact O-CD2 3.18Å; L25-H29 PolarHBondContact O-N 3.44Å; L26-H29 PolarHBondContact O-N 2.88Å; L26-H29 VanDerWaalsContact O-N 3.16Å; H29-S39 VanDerWaalsContact O-CB 3.3Å; H29-S39 WeakPolarHBondContact O-CB 3.47Å; H29-S39 PolarHBondContact O-OG 3.23Å; H29-A41 HydrophobicContact CB-CB 4.21Å; H29-A41 WeakPolarHBondContact O-CB 3.35Å; H29-A41 PolarHBondContact O-N 3.31Å; H29-A41 VanDerWaalsContact O-N 3.16Å; H29-L49 HydrophobicContact CB-CD1 4.01Å |
| 30 | I | 94.3 | Very high | 93.4 | Very high | 58 Ų | 58 | 71 Ų | 71 | 30% | 0.297 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -91.4 | -22.8 | 178.6 | 67.3 | -175.7 | 0 | 0 | 0 | 113.7 | L26 S32 S39 L49 | L26-I30 HydrophobicContact CD1-CG2 3.92Å; L26-I30 HydrophobicContact CG-CG2 4.39Å; L26-I30 WeakPolarHBondContact O-CG1 3.44Å; L26-I30 WeakPolarHBondContact O-CG2 3.32Å; L26-I30 PolarHBondContact O-N 3.26Å; I30-S32 PolarHBondContact O-N 3.25Å; I30-S39 WeakPolarHBondContact O-CB 3.43Å; I30-L49 HydrophobicContact CG2-CB 3.93Å |
| 31 | T | 92.6 | Very high | 93.5 | Very high | 90 Ų | 90 | 67.8 Ų | 67.8 | 55% | 0.552 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -70.7 | 120.7 | -177.2 | -59.7 | 0 | 0 | 0 | 0 | 109.8 | S27 P40 | S27-T31 WeakPolarHBondContact O-CB 3.46Å; S27-T31 PolarHBondContact O-N 2.64Å; S27-T31 PolarHBondContact O-OG1 2.7Å; T31-P40 WeakPolarHBondContact O-CD 3.46Å |
| 32 | S | 92.1 | Very high | 93.5 | Very high | 74 Ų | 74 | 66.6 Ų | 66.6 | 52% | 0.517 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -67 | 137.1 | 174.3 | 53.4 | 0 | 0 | 0 | 0 | 110.8 | I30 | I30-S32 PolarHBondContact O-N 3.25Š|
| 33 | S | 90.6 | Very high | 93.5 | Very high | 55 Ų | 55 | 69.2 Ų | 69.2 | 39% | 0.385 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -78.5 | 142.2 | 172.1 | 175.6 | 0 | 0 | 0 | 0 | 110.8 | T35 T36 G37 R38 | S33-T35 PolarHBondContact O-N 3.16Å; S33-T35 PolarHBondContact OG-N 3.36Å; S33-T36 WeakPolarHBondContact CB-OG1 3.39Å; S33-T36 PolarHBondContact O-N 2.71Å; S33-G37 WeakPolarHBondContact O-CA 3.35Å; S33-G37 PolarHBondContact O-N 3.03Å; S33-R38 PolarHBondContact N-O 2.68Å; S33-R38 VanDerWaalsContact N-O 3.1Å |
| 34 | V | 95 | Very high | 93.7 | Very high | 151 Ų | 151 | 73.3 Ų | 73.3 | 92% | 0.915 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -35.7 | 178 | 178.3 | 0 | 0 | 0 | 0 | 111.4 | ||
| 35 | T | 95.4 | Very high | 93.7 | Very high | 134 Ų | 134 | 76.6 Ų | 76.6 | 82% | 0.822 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -40.7 | -176.8 | -50.7 | 0 | 0 | 0 | 0 | 112.7 | S33 | S33-T35 PolarHBondContact O-N 3.16Å; S33-T35 PolarHBondContact OG-N 3.36Å |
| 36 | T | 92.2 | Very high | 93.6 | Very high | 73 Ų | 73 | 80.2 Ų | 80.2 | 45% | 0.448 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | -17.4 | -174.7 | 59.8 | 0 | 0 | 0 | 0 | 113.4 | S33 R38 | S33-T36 WeakPolarHBondContact CB-OG1 3.39Å; S33-T36 PolarHBondContact O-N 2.71Å; T36-R38 PolarHBondContact O-N 3.42Å; T36-R38 PolarHBondContact OG1-N 3.5Å; T36-R38 PolarHBondContact OG1-O 2.97Å |
| 37 | G | 93.7 | Very high | 93.5 | Very high | 55 Ų | 55 | 84 Ų | 84 | 57% | 0.567 | 46% | 0.462 | S | S | * | . | S | Bend | trans | 63.7 | 1.2 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | S33 | S33-G37 WeakPolarHBondContact O-CA 3.35Å; S33-G37 PolarHBondContact O-N 3.03Å |
| 38 | R | 93.4 | Very high | 93.5 | Very high | 146 Ų | 146 | 89.7 Ų | 89.7 | 55% | 0.551 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -113.8 | 149.3 | -175.8 | -64.7 | -66.2 | -174.9 | 158.2 | 2.1 | 110.1 | S33 T36 E42 L43 | S33-R38 PolarHBondContact N-O 2.68Å; S33-R38 VanDerWaalsContact N-O 3.1Å; T36-R38 PolarHBondContact O-N 3.42Å; T36-R38 PolarHBondContact OG1-N 3.5Å; T36-R38 PolarHBondContact OG1-O 2.97Å; R38-E42 WeakPolarHBondContact CA-OE2 3.35Å; R38-E42 WeakPolarHBondContact CD-OE2 3.39Å; R38-E42 IonicContact NH1-OE2 3.06Å; R38-L43 HydrophobicContact CB-CD2 4.02Å; R38-L43 HydrophobicContact CB-CG 4.11Å; R38-L43 HydrophobicContact CG-CD2 4.48Å |
| 39 | S | 94.2 | Very high | 93.4 | Very high | 3 Ų | 3 | 87.1 Ų | 87.1 | 2% | 0.021 | 47% | 0.467 | C | S | . | . | trans | -80.7 | 152.6 | 174.1 | 76.1 | 0 | 0 | 0 | 0 | 111 | H29 I30 A41 E42 L43 | H29-S39 VanDerWaalsContact O-CB 3.3Å; H29-S39 WeakPolarHBondContact O-CB 3.47Å; H29-S39 PolarHBondContact O-OG 3.23Å; I30-S39 WeakPolarHBondContact O-CB 3.43Å; S39-A41 PolarHBondContact O-N 3.1Å; S39-E42 PolarHBondContact N-OE2 3.48Å; S39-E42 WeakPolarHBondContact O-CB 3.21Å; S39-E42 PolarHBondContact O-N 3.33Å; S39-E42 WeakPolarHBondContact OG-CG 3.46Å; S39-E42 PolarHBondContact OG-N 3.32Å; S39-L43 PolarHBondContact O-N 3.24Å; S39-L43 VanDerWaalsContact O-N 3.09Å | ||
| 40 | P | 94.6 | Very high | 93.2 | Very high | 54 Ų | 54 | 91.8 Ų | 91.8 | 35% | 0.351 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -55.1 | -34.6 | 175.8 | -28.6 | 35.9 | 0 | 0 | 0 | 113.5 | T31 L43 L44 | T31-P40 WeakPolarHBondContact O-CD 3.46Å; P40-L43 PolarHBondContact O-N 3.16Å; P40-L44 VanDerWaalsContact O-CB 3.3Å; P40-L44 WeakPolarHBondContact O-CB 3.3Å; P40-L44 PolarHBondContact O-N 3.33Å |
| 41 | A | 95.2 | Very high | 93 | Very high | 0 Ų | 0 | 90 Ų | 90 | 0% | 0 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -67.6 | -35.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | H29 S39 L43 L44 M45 R47 L49 | H29-A41 HydrophobicContact CB-CB 4.21Å; H29-A41 WeakPolarHBondContact O-CB 3.35Å; H29-A41 PolarHBondContact O-N 3.31Å; H29-A41 VanDerWaalsContact O-N 3.16Å; S39-A41 PolarHBondContact O-N 3.1Å; A41-L43 VanDerWaalsContact C-N 3.33Å; A41-L44 PolarHBondContact O-N 2.83Å; A41-M45 WeakPolarHBondContact O-CA 3.36Å; A41-M45 WeakPolarHBondContact O-CB 3.22Å; A41-M45 PolarHBondContact O-N 3.47Å; A41-R47 CarbonylContact C-O 3.48Å; A41-L49 HydrophobicContact CB-CD1 3.56Å; A41-L49 HydrophobicContact CB-CG 3.62Å |
| 42 | E | 95.2 | Very high | 92.8 | Very high | 35 Ų | 35 | 95.6 Ų | 95.6 | 16% | 0.164 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -66.5 | -38.5 | 174.2 | -73.1 | 174.2 | 170.9 | 0 | 0 | 111.4 | R38 S39 N46 R47 R48 | R38-E42 WeakPolarHBondContact CA-OE2 3.35Å; R38-E42 WeakPolarHBondContact CD-OE2 3.39Å; R38-E42 IonicContact NH1-OE2 3.06Å; S39-E42 PolarHBondContact N-OE2 3.48Å; S39-E42 WeakPolarHBondContact O-CB 3.21Å; S39-E42 PolarHBondContact O-N 3.33Å; S39-E42 WeakPolarHBondContact OG-CG 3.46Å; S39-E42 PolarHBondContact OG-N 3.32Å; E42-N46 WeakPolarHBondContact O-CA 3.32Å; E42-N46 PolarHBondContact O-N 2.94Å; E42-R47 WeakPolarHBondContact CA-O 3.24Å; E42-R47 PolarHBondContact N-O 2.75Å; E42-R48 HydrophobicContact CG-CB 4.08Å; E42-R48 HydrophobicContact CG-CG 4.35Å; E42-R48 WeakPolarHBondContact OE1-CB 3.09Å; E42-R48 WeakPolarHBondContact OE1-CD 3.35Å; E42-R48 VanDerWaalsContact OE1-CG 3.24Å; E42-R48 WeakPolarHBondContact OE1-CG 3.5Å |
| 43 | L | 95.1 | Very high | 92.5 | Very high | 107 Ų | 107 | 98.2 Ų | 98.2 | 56% | 0.56 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -70.2 | -36.2 | 177.1 | -65.3 | 175 | 0 | 0 | 0 | 112.4 | R38 S39 P40 A41 | R38-L43 HydrophobicContact CB-CD2 4.02Å; R38-L43 HydrophobicContact CB-CG 4.11Å; R38-L43 HydrophobicContact CG-CD2 4.48Å; S39-L43 PolarHBondContact O-N 3.24Å; S39-L43 VanDerWaalsContact O-N 3.09Å; P40-L43 PolarHBondContact O-N 3.16Å; A41-L43 VanDerWaalsContact C-N 3.33Å |
| 44 | L | 94.6 | Very high | 92.4 | Very high | 128 Ų | 128 | 97 Ų | 97 | 67% | 0.67 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -84.2 | -39 | -176.5 | -174.7 | 68.2 | 0 | 0 | 0 | 113.3 | P40 A41 | P40-L44 VanDerWaalsContact O-CB 3.3Å; P40-L44 WeakPolarHBondContact O-CB 3.3Å; P40-L44 PolarHBondContact O-N 3.33Å; A41-L44 PolarHBondContact O-N 2.83Å |
| 45 | M | 93.3 | Very high | 91.8 | Very high | 88 Ų | 88 | 99.6 Ų | 99.6 | 43% | 0.433 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -119.8 | 4.9 | -170.2 | -57.3 | -178.9 | -178.4 | 0 | 0 | 113.2 | A41 R47 | A41-M45 WeakPolarHBondContact O-CA 3.36Å; A41-M45 WeakPolarHBondContact O-CB 3.22Å; A41-M45 PolarHBondContact O-N 3.47Å; M45-R47 HydrophobicContact CB-CG 3.87Å; M45-R47 PolarHBondContact O-N 3.3Å |
| 46 | N | 93.2 | Very high | 91.4 | Very high | 155 Ų | 155 | 99.9 Ų | 99.9 | 83% | 0.829 | 47% | 0.471 | S | S | * | . | S | Bend | trans | 54 | 21.1 | -176.2 | -98.2 | 68.7 | 0 | 0 | 0 | 114.7 | E42 | E42-N46 WeakPolarHBondContact O-CA 3.32Å; E42-N46 PolarHBondContact O-N 2.94Å |
| 47 | R | 91.8 | Very high | 90.7 | Very high | 153 Ų | 153 | 102 Ų | 102 | 58% | 0.577 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -141.7 | 148.1 | -178.9 | 69.5 | -178 | -176.9 | 173.5 | -0.9 | 111.6 | A41 E42 M45 | A41-R47 CarbonylContact C-O 3.48Å; E42-R47 WeakPolarHBondContact CA-O 3.24Å; E42-R47 PolarHBondContact N-O 2.75Å; M45-R47 HydrophobicContact CB-CG 3.87Å; M45-R47 PolarHBondContact O-N 3.3Å |
| 48 | R | 90.5 | Very high | 89.9 | Confident | 162 Ų | 162 | 103.6 Ų | 103.6 | 61% | 0.611 | 48% | 0.476 | S | S | * | . | P | Polyproline II helix | trans | -84.1 | 123.2 | 173.6 | -160.7 | 170 | 82.4 | 147.6 | 2.7 | 110.2 | E42 D54 | E42-R48 HydrophobicContact CG-CB 4.08Å; E42-R48 HydrophobicContact CG-CG 4.35Å; E42-R48 WeakPolarHBondContact OE1-CB 3.09Å; E42-R48 WeakPolarHBondContact OE1-CD 3.35Å; E42-R48 VanDerWaalsContact OE1-CG 3.24Å; E42-R48 WeakPolarHBondContact OE1-CG 3.5Å; R48-D54 IonicContact CZ-OD1 2.68Å; R48-D54 IonicContact NH2-OD1 3.37Å; R48-D54 PolarHBondContact NH2-OD1 2.94Å |
| 49 | L | 91.4 | Very high | 88.9 | Confident | 39 Ų | 39 | 101.1 Ų | 101.1 | 20% | 0.204 | 47% | 0.474 | C | S | . | . | P | Polyproline II helix | trans | -70.5 | 136 | 172.6 | -63.2 | 174.8 | 0 | 0 | 0 | 109.7 | L26 H29 I30 A41 | L26-L49 HydrophobicContact CD1-CD1 4.31Å; H29-L49 HydrophobicContact CB-CD1 4.01Å; I30-L49 HydrophobicContact CG2-CB 3.93Å; A41-L49 HydrophobicContact CB-CD1 3.56Å; A41-L49 HydrophobicContact CB-CG 3.62Å |
| 50 | R | 88.8 | Confident | 87.5 | Confident | 167 Ų | 167 | 105.1 Ų | 105.1 | 63% | 0.63 | 49% | 0.494 | S | S | * | . | P | Polyproline II helix | trans | -83.5 | 128.2 | 177.7 | -63 | -174.1 | 82 | 145.2 | -0.2 | 110.7 | D54 D59 | R50-D54 HydrophobicContact CB-CB 4.33Å; R50-D59 IonicContact NH2-OD1 3.11Å; R50-D59 PolarHBondContact NH2-OD1 2.74Å |
| 51 | S | 90.1 | Very high | 86.4 | Confident | 21 Ų | 21 | 105.7 Ų | 105.7 | 15% | 0.147 | 50% | 0.499 | C | S | . | . | trans | -95.6 | 174.2 | 171.6 | 73.1 | 0 | 0 | 0 | 0 | 111.2 | L53 D54 | S51-L53 PolarHBondContact O-N 3.4Å; S51-L53 PolarHBondContact OG-N 3.26Å; S51-D54 WeakPolarHBondContact CA-OD2 3.3Å; S51-D54 WeakPolarHBondContact CB-OD2 3.39Å; S51-D54 PolarHBondContact N-OD2 2.68Å; S51-D54 PolarHBondContact O-N 3.01Å; S51-D54 PolarHBondContact OG-N 3.2Å; S51-D54 PolarHBondContact OG-OD2 3.35Å | ||
| 52 | R | 87.9 | Confident | 85.2 | Confident | 207 Ų | 207 | 108.9 Ų | 108.9 | 78% | 0.781 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -63.8 | -29.2 | 171.7 | -66.1 | -178 | -178.6 | 174.2 | -1.1 | 112.2 | D54 R55 | R52-D54 VanDerWaalsContact C-N 3.34Å; R52-R55 WeakPolarHBondContact O-CB 3.37Å; R52-R55 PolarHBondContact O-N 3.37Å |
| 53 | L | 87.1 | Confident | 84.1 | Confident | 129 Ų | 129 | 110 Ų | 110 | 68% | 0.675 | 53% | 0.529 | S | S | * | . | G | 310 helix | trans | -69.6 | -32.5 | 176.6 | -64 | 176.4 | 0 | 0 | 0 | 111.7 | S51 R55 L56 | S51-L53 PolarHBondContact O-N 3.4Å; S51-L53 PolarHBondContact OG-N 3.26Å; L53-R55 PolarHBondContact O-N 3.32Å; L53-R55 VanDerWaalsContact O-N 3.11Å; L53-L56 HydrophobicContact CD2-CD1 3.85Å; L53-L56 WeakPolarHBondContact O-CB 3.33Å; L53-L56 PolarHBondContact O-N 3.26Å |
| 54 | D | 87 | Confident | 83.1 | Confident | 29 Ų | 29 | 113.4 Ų | 113.4 | 16% | 0.155 | 53% | 0.534 | C | S | . | . | G | 310 helix | trans | -66 | -12 | 175 | -64 | -73.6 | 0 | 0 | 0 | 113.4 | R48 R50 S51 R52 | R48-D54 IonicContact CZ-OD1 2.68Å; R48-D54 IonicContact NH2-OD1 3.37Å; R48-D54 PolarHBondContact NH2-OD1 2.94Å; R50-D54 HydrophobicContact CB-CB 4.33Å; S51-D54 WeakPolarHBondContact CA-OD2 3.3Å; S51-D54 WeakPolarHBondContact CB-OD2 3.39Å; S51-D54 PolarHBondContact N-OD2 2.68Å; S51-D54 PolarHBondContact O-N 3.01Å; S51-D54 PolarHBondContact OG-N 3.2Å; S51-D54 PolarHBondContact OG-OD2 3.35Å; R52-D54 VanDerWaalsContact C-N 3.34Å |
| 55 | R | 83.2 | Confident | 82.1 | Confident | 207 Ų | 207 | 111.6 Ų | 111.6 | 78% | 0.781 | 52% | 0.522 | S | S | * | . | G | 310 helix | trans | -88.4 | -17.3 | 172.1 | -62 | -175.3 | 178.6 | 171.5 | -2.4 | 113.1 | R52 L53 H57 | R52-R55 WeakPolarHBondContact O-CB 3.37Å; R52-R55 PolarHBondContact O-N 3.37Å; L53-R55 PolarHBondContact O-N 3.32Å; L53-R55 VanDerWaalsContact O-N 3.11Å; R55-H57 VanDerWaalsContact C-N 3.27Å |
| 56 | L | 87 | Confident | 81.2 | Confident | 139 Ų | 139 | 111.3 Ų | 111.3 | 73% | 0.728 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -18.2 | 174.4 | -59.4 | 178.8 | 0 | 0 | 0 | 111.4 | L53 | L53-L56 HydrophobicContact CD2-CD1 3.85Å; L53-L56 WeakPolarHBondContact O-CB 3.33Å; L53-L56 PolarHBondContact O-N 3.26Å |
| 57 | H | 77.8 | Confident | 80.3 | Confident | 118 Ų | 118 | 109 Ų | 109 | 55% | 0.546 | 51% | 0.505 | S | S | . | . | S | Bend | trans | -69 | 126.8 | 169 | -159.8 | -78.4 | 0 | 0 | 0 | 108.1 | R55 D59 | R55-H57 VanDerWaalsContact C-N 3.27Å; H57-D59 PolarHBondContact O-N 3.4Å |
| 58 | P | 76.7 | Confident | 79.6 | Confident | 88 Ų | 88 | 105.2 Ų | 105.2 | 57% | 0.571 | 50% | 0.496 | S | S | * | . | trans | -53.5 | 131.4 | 172.4 | 23.4 | -32.4 | 0 | 0 | 0 | 108 | L60 | P58-L60 HydrophobicContact CG-CD2 4.4Å; P58-L60 PolarHBondContact O-N 3.01Å | ||
| 59 | D | 71.5 | Confident | 78.7 | Confident | 95 Ų | 95 | 102.5 Ų | 102.5 | 51% | 0.508 | 49% | 0.49 | S | S | . | . | trans | -73.1 | 86.4 | -179.6 | -146.7 | 45.4 | 0 | 0 | 0 | 106.9 | R50 H57 S61 S62 | R50-D59 IonicContact NH2-OD1 3.11Å; R50-D59 PolarHBondContact NH2-OD1 2.74Å; H57-D59 PolarHBondContact O-N 3.4Å; D59-S61 VanDerWaalsContact CG-OG 3.31Å; D59-S61 PolarHBondContact O-N 3.09Å; D59-S61 PolarHBondContact OD2-OG 3.11Å; D59-S62 PolarHBondContact O-OG 3.47Å | ||
| 60 | L | 66.6 | Low | 77.7 | Confident | 86 Ų | 86 | 106.4 Ų | 106.4 | 45% | 0.45 | 51% | 0.511 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | 13 | 174.8 | -58.3 | 176.7 | 0 | 0 | 0 | 111.5 | P58 S62 D63 R64 | P58-L60 HydrophobicContact CG-CD2 4.4Å; P58-L60 PolarHBondContact O-N 3.01Å; L60-S62 VanDerWaalsContact C-N 3.32Å; L60-D63 HydrophobicContact CB-CB 4.39Å; L60-D63 HydrophobicContact CD2-CB 4.17Å; L60-R64 WeakPolarHBondContact O-CB 3.4Å; L60-R64 PolarHBondContact O-N 2.98Å |
| 61 | S | 70.5 | Confident | 76.7 | Confident | 66 Ų | 66 | 105 Ų | 105 | 46% | 0.462 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.7 | -44.5 | 173 | 54.5 | 0 | 0 | 0 | 0 | 110 | D59 Q65 | D59-S61 VanDerWaalsContact CG-OG 3.31Å; D59-S61 PolarHBondContact O-N 3.09Å; D59-S61 PolarHBondContact OD2-OG 3.11Å; S61-Q65 WeakPolarHBondContact O-CB 3.41Å; S61-Q65 PolarHBondContact O-N 2.86Å |
| 62 | S | 69.1 | Low | 75.3 | Confident | 68 Ų | 68 | 108.2 Ų | 108.2 | 48% | 0.476 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.7 | -58.5 | 171.1 | 51.5 | 0 | 0 | 0 | 0 | 111.3 | D59 L60 R64 Q65 D66 | D59-S62 PolarHBondContact O-OG 3.47Å; L60-S62 VanDerWaalsContact C-N 3.32Å; S62-R64 PolarHBondContact O-N 2.92Å; S62-R64 VanDerWaalsContact O-N 3.11Å; S62-Q65 CarbonylContact O-C 3.49Å; S62-Q65 WeakPolarHBondContact O-CA 3.16Å; S62-Q65 WeakPolarHBondContact O-CB 3.27Å; S62-Q65 PolarHBondContact O-N 2.89Å; S62-D66 PolarHBondContact O-N 3.45Å |
| 63 | D | 72.1 | Confident | 73.9 | Confident | 58 Ų | 58 | 100.6 Ų | 100.6 | 31% | 0.31 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -55.3 | -34.8 | 177.9 | 174 | 77.1 | 0 | 0 | 0 | 113.3 | L60 K67 | L60-D63 HydrophobicContact CB-CB 4.39Å; L60-D63 HydrophobicContact CD2-CB 4.17Å; D63-K67 VanDerWaalsContact O-CB 3.27Å; D63-K67 WeakPolarHBondContact O-CB 3.5Å; D63-K67 WeakPolarHBondContact O-CD 3.28Å; D63-K67 WeakPolarHBondContact O-CG 3.33Å; D63-K67 PolarHBondContact O-N 2.81Å; D63-K67 WeakPolarHBondContact OD1-CE 3.07Å; D63-K67 IonicContact OD1-NZ 3.79Å; D63-K67 PolarHBondContact OD1-NZ 2.79Å; D63-K67 WeakPolarHBondContact OD2-CE 3.47Å; D63-K67 IonicContact OD2-NZ 3.4Å; D63-K67 PolarHBondContact OD2-NZ 3.47Å |
| 64 | R | 74.4 | Confident | 72.4 | Confident | 179 Ų | 179 | 99.8 Ų | 99.8 | 68% | 0.675 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -70.5 | -41.4 | 173.5 | -175.2 | -178.7 | -168.5 | 147.7 | 5.3 | 111.5 | L60 S62 K67 I68 | L60-R64 WeakPolarHBondContact O-CB 3.4Å; L60-R64 PolarHBondContact O-N 2.98Å; S62-R64 PolarHBondContact O-N 2.92Å; S62-R64 VanDerWaalsContact O-N 3.11Å; R64-K67 PolarHBondContact O-N 3.24Å; R64-I68 HydrophobicContact CG-CD1 3.89Å; R64-I68 HydrophobicContact CG-CG1 4.45Å; R64-I68 WeakPolarHBondContact O-CB 3.34Å; R64-I68 WeakPolarHBondContact O-CD1 3.4Å; R64-I68 WeakPolarHBondContact O-CG1 3.3Å; R64-I68 PolarHBondContact O-N 2.74Å |
| 65 | Q | 74 | Confident | 70.9 | Confident | 90 Ų | 90 | 103 Ų | 103 | 42% | 0.421 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.5 | -45.1 | 176.4 | -175.2 | 60.6 | 28.9 | 0 | 0 | 110.1 | S61 S62 K67 I68 E69 | S61-Q65 WeakPolarHBondContact O-CB 3.41Å; S61-Q65 PolarHBondContact O-N 2.86Å; S62-Q65 CarbonylContact O-C 3.49Å; S62-Q65 WeakPolarHBondContact O-CA 3.16Å; S62-Q65 WeakPolarHBondContact O-CB 3.27Å; S62-Q65 PolarHBondContact O-N 2.89Å; Q65-K67 VanDerWaalsContact C-N 3.34Å; Q65-K67 PolarHBondContact O-N 2.85Å; Q65-I68 CarbonylContact O-C 3.54Å; Q65-I68 PolarHBondContact O-N 3.46Å; Q65-I68 VanDerWaalsContact O-N 3.13Å; Q65-E69 HydrophobicContact CG-CG 4.43Å; Q65-E69 WeakPolarHBondContact CG-OE1 3.15Å; Q65-E69 PolarHBondContact NE2-OE1 2.81Å; Q65-E69 WeakPolarHBondContact O-CB 3.23Å; Q65-E69 VanDerWaalsContact O-CG 3.28Å; Q65-E69 WeakPolarHBondContact O-CG 3.43Å; Q65-E69 PolarHBondContact O-N 3.49Å |
| 66 | D | 74.9 | Confident | 69.5 | Low | 81 Ų | 81 | 98.4 Ų | 98.4 | 43% | 0.433 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -58.7 | -45.2 | 174.7 | -58.4 | -25.9 | 0 | 0 | 0 | 110.2 | S62 I68 E69 D70 | S62-D66 PolarHBondContact O-N 3.45Å; D66-I68 PolarHBondContact O-N 2.73Å; D66-E69 CarbonylContact O-C 3.56Å; D66-E69 PolarHBondContact O-N 3.13Å; D66-D70 VanDerWaalsContact O-CB 3.3Å; D66-D70 WeakPolarHBondContact O-CB 3.42Å; D66-D70 PolarHBondContact O-N 2.84Å |
| 67 | K | 74.8 | Confident | 68.2 | Low | 107 Ų | 107 | 100.7 Ų | 100.7 | 47% | 0.465 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.7 | -40.1 | 173.7 | -76.7 | 167.7 | 178.7 | 163.9 | 0 | 113.3 | D63 R64 Q65 E69 D70 D71 | D63-K67 VanDerWaalsContact O-CB 3.27Å; D63-K67 WeakPolarHBondContact O-CB 3.5Å; D63-K67 WeakPolarHBondContact O-CD 3.28Å; D63-K67 WeakPolarHBondContact O-CG 3.33Å; D63-K67 PolarHBondContact O-N 2.81Å; D63-K67 WeakPolarHBondContact OD1-CE 3.07Å; D63-K67 IonicContact OD1-NZ 3.79Å; D63-K67 PolarHBondContact OD1-NZ 2.79Å; D63-K67 WeakPolarHBondContact OD2-CE 3.47Å; D63-K67 IonicContact OD2-NZ 3.4Å; D63-K67 PolarHBondContact OD2-NZ 3.47Å; R64-K67 PolarHBondContact O-N 3.24Å; Q65-K67 VanDerWaalsContact C-N 3.34Å; Q65-K67 PolarHBondContact O-N 2.85Å; K67-E69 VanDerWaalsContact C-N 3.31Å; K67-D70 PolarHBondContact O-N 2.99Å; K67-D71 VanDerWaalsContact O-CB 3.23Å; K67-D71 WeakPolarHBondContact O-CB 3.13Å; K67-D71 PolarHBondContact O-N 2.67Å |
| 68 | I | 75.9 | Confident | 67.7 | Low | 74 Ų | 74 | 102.3 Ų | 102.3 | 38% | 0.379 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -66 | -39.4 | 175.3 | -71.7 | 163.7 | 0 | 0 | 0 | 109.9 | R64 Q65 D66 S72 | R64-I68 HydrophobicContact CG-CD1 3.89Å; R64-I68 HydrophobicContact CG-CG1 4.45Å; R64-I68 WeakPolarHBondContact O-CB 3.34Å; R64-I68 WeakPolarHBondContact O-CD1 3.4Å; R64-I68 WeakPolarHBondContact O-CG1 3.3Å; R64-I68 PolarHBondContact O-N 2.74Å; Q65-I68 CarbonylContact O-C 3.54Å; Q65-I68 PolarHBondContact O-N 3.46Å; Q65-I68 VanDerWaalsContact O-N 3.13Å; D66-I68 PolarHBondContact O-N 2.73Å; I68-S72 WeakPolarHBondContact O-CA 3.33Å; I68-S72 WeakPolarHBondContact O-CB 3.42Å; I68-S72 PolarHBondContact O-N 3.47Å; I68-S72 PolarHBondContact O-OG 3.41Å |
| 69 | E | 72.9 | Confident | 67.6 | Low | 105 Ų | 105 | 106.4 Ų | 106.4 | 49% | 0.491 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -69.6 | -36.9 | 177.3 | -74.5 | 178.6 | -165 | 0 | 0 | 111.3 | Q65 D66 K67 S72 A73 | Q65-E69 HydrophobicContact CG-CG 4.43Å; Q65-E69 WeakPolarHBondContact CG-OE1 3.15Å; Q65-E69 PolarHBondContact NE2-OE1 2.81Å; Q65-E69 WeakPolarHBondContact O-CB 3.23Å; Q65-E69 VanDerWaalsContact O-CG 3.28Å; Q65-E69 WeakPolarHBondContact O-CG 3.43Å; Q65-E69 PolarHBondContact O-N 3.49Å; D66-E69 CarbonylContact O-C 3.56Å; D66-E69 PolarHBondContact O-N 3.13Å; K67-E69 VanDerWaalsContact C-N 3.31Å; E69-S72 CarbonylContact O-C 3.55Å; E69-S72 PolarHBondContact O-N 3.44Å; E69-A73 WeakPolarHBondContact O-CA 3.44Å; E69-A73 WeakPolarHBondContact O-CB 3.48Å; E69-A73 PolarHBondContact O-N 2.63Å |
| 70 | D | 69.9 | Low | 68.2 | Low | 120 Ų | 120 | 106.5 Ų | 106.5 | 64% | 0.642 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -70.1 | -40.1 | 173.6 | -74.5 | -22.3 | 0 | 0 | 0 | 111.6 | D66 K67 S72 A73 | D66-D70 VanDerWaalsContact O-CB 3.3Å; D66-D70 WeakPolarHBondContact O-CB 3.42Å; D66-D70 PolarHBondContact O-N 2.84Å; K67-D70 PolarHBondContact O-N 2.99Å; D70-S72 VanDerWaalsContact C-N 3.32Å; D70-A73 WeakPolarHBondContact O-CB 3.06Å; D70-A73 PolarHBondContact O-N 2.79Å |
| 71 | D | 66.8 | Low | 69 | Low | 138 Ų | 138 | 103.5 Ų | 103.5 | 74% | 0.738 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -71.4 | -29 | 174.2 | -73 | -29.3 | 0 | 0 | 0 | 111.6 | K67 | K67-D71 VanDerWaalsContact O-CB 3.23Å; K67-D71 WeakPolarHBondContact O-CB 3.13Å; K67-D71 PolarHBondContact O-N 2.67Å |
| 72 | S | 61.2 | Low | 69.8 | Low | 89 Ų | 89 | 106 Ų | 106 | 62% | 0.622 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -88.7 | -17.6 | 176.3 | -58.6 | 0 | 0 | 0 | 0 | 112.8 | I68 E69 D70 | I68-S72 WeakPolarHBondContact O-CA 3.33Å; I68-S72 WeakPolarHBondContact O-CB 3.42Å; I68-S72 PolarHBondContact O-N 3.47Å; I68-S72 PolarHBondContact O-OG 3.41Å; E69-S72 CarbonylContact O-C 3.55Å; E69-S72 PolarHBondContact O-N 3.44Å; D70-S72 VanDerWaalsContact C-N 3.32Å |
| 73 | A | 58 | Low | 70.7 | Confident | 47 Ų | 47 | 106.5 Ų | 106.5 | 39% | 0.388 | 56% | 0.564 | S | S | . | * | S | Bend | trans | -57.2 | 133.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 105.7 | E69 D70 A75 | E69-A73 WeakPolarHBondContact O-CA 3.44Å; E69-A73 WeakPolarHBondContact O-CB 3.48Å; E69-A73 PolarHBondContact O-N 2.63Å; D70-A73 WeakPolarHBondContact O-CB 3.06Å; D70-A73 PolarHBondContact O-N 2.79Å; A73-A75 PolarHBondContact O-N 3.33Å |
| 74 | P | 56.1 | Low | 71.6 | Confident | 112 Ų | 112 | 109.6 Ų | 109.6 | 73% | 0.727 | 58% | 0.58 | S | S | * | * | trans | -69.9 | 80.4 | -171.5 | 28.9 | -35.2 | 0 | 0 | 0 | 109.9 | C76 | P74-C76 PolarHBondContact O-N 2.65Š| ||
| 75 | A | 55.8 | Low | 72.2 | Confident | 97 Ų | 97 | 103.3 Ų | 103.3 | 80% | 0.802 | 56% | 0.558 | S | S | * | * | trans | -58.4 | -16.9 | 155.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | A73 K77 | A73-A75 PolarHBondContact O-N 3.33Å; A75-K77 PolarHBondContact O-N 3.32Å | ||
| 76 | C | 53.8 | Low | 73.1 | Confident | 110 Ų | 110 | 102.9 Ų | 102.9 | 74% | 0.743 | 56% | 0.563 | S | S | * | * | trans | -65.2 | 76.9 | 161.7 | -82.8 | 0 | 0 | 0 | 0 | 111.2 | P74 E78 | P74-C76 PolarHBondContact O-N 2.65Å; C76-E78 PolarHBondContact O-N 3.18Å | ||
| 77 | K | 60.5 | Low | 73.9 | Confident | 186 Ų | 186 | 99.3 Ų | 99.3 | 81% | 0.809 | 54% | 0.544 | S | S | * | . | trans | -48.2 | 117.8 | 144.1 | -66 | 177.9 | -178 | 178.4 | 0 | 105.9 | A75 R79 | A75-K77 PolarHBondContact O-N 3.32Å; K77-R79 PolarHBondContact O-N 2.87Å | ||
| 78 | E | 65.5 | Low | 74.8 | Confident | 152 Ų | 152 | 95.4 Ų | 95.4 | 71% | 0.71 | 53% | 0.532 | S | S | * | . | trans | -55.4 | 108.5 | 177.8 | -166.7 | 171.3 | -166.4 | 0 | 0 | 106.8 | C76 V80 | C76-E78 PolarHBondContact O-N 3.18Å; E78-V80 VanDerWaalsContact C-N 3.32Å; E78-V80 HydrophobicContact CB-CG2 4.34Å; E78-V80 HydrophobicContact CG-CG2 3.89Å; E78-V80 PolarHBondContact O-N 3.18Å | ||
| 79 | R | 75 | Confident | 75.6 | Confident | 175 Ų | 175 | 92 Ų | 92 | 66% | 0.66 | 52% | 0.515 | S | S | * | . | trans | -74.2 | 95.9 | 179.1 | -70.3 | -180 | 175.4 | 164.3 | -1.7 | 105.1 | K77 I126 | K77-R79 PolarHBondContact O-N 2.87Å; R79-I126 HydrophobicContact CB-CD1 3.33Å; R79-I126 HydrophobicContact CB-CG1 4.29Å; R79-I126 WeakPolarHBondContact O-CD1 3.22Å | ||
| 80 | V | 83.6 | Confident | 76.6 | Confident | 97 Ų | 97 | 91.7 Ų | 91.7 | 59% | 0.588 | 51% | 0.509 | S | S | * | . | trans | -97.1 | 128.9 | 174.7 | -176.8 | 0 | 0 | 0 | 0 | 107.5 | E78 | E78-V80 VanDerWaalsContact C-N 3.32Å; E78-V80 HydrophobicContact CB-CG2 4.34Å; E78-V80 HydrophobicContact CG-CG2 3.89Å; E78-V80 PolarHBondContact O-N 3.18Å | ||
| 81 | L | 84.5 | Confident | 77.6 | Confident | 23 Ų | 23 | 87.9 Ų | 87.9 | 12% | 0.12 | 49% | 0.489 | C | S | . | . | trans | -108.2 | 135.3 | 177.5 | -58.8 | 175.7 | 0 | 0 | 0 | 109.7 | I103 Y112 I126 I129 T131 | L81-I103 HydrophobicContact CB-CD1 3.51Å; L81-I103 HydrophobicContact CD1-CD1 3.7Å; L81-I103 HydrophobicContact CG-CD1 4.17Å; L81-Y112 HydrophobicContact CB-CD1 4.39Å; L81-Y112 HydrophobicContact CB-CE1 3.82Å; L81-Y112 HydrophobicContact CD1-CD2 4.28Å; L81-Y112 HydrophobicContact CD1-CE2 4.17Å; L81-Y112 HydrophobicContact CG-CE2 4.46Å; L81-Y112 PolarHBondContact N-OH 3.21Å; L81-I126 HydrophobicContact CD1-CD1 4.16Å; L81-I126 HydrophobicContact CD1-CG1 4Å; L81-I126 HydrophobicContact CG-CD1 4.11Å; L81-I126 HydrophobicContact CG-CG1 4.46Å; L81-I129 HydrophobicContact CD1-CB 4.23Å; L81-I129 HydrophobicContact CD1-CD1 4.25Å; L81-I129 HydrophobicContact CD1-CG2 3.81Å; L81-T131 HydrophobicContact CD2-CG2 3.41Å; L81-T131 VanDerWaalsContact CD2-CG2 3.41Å | ||
| 82 | D | 87.9 | Confident | 78.6 | Confident | 119 Ų | 119 | 87 Ų | 87 | 64% | 0.636 | 48% | 0.478 | S | S | * | . | trans | -81.5 | 147.4 | -179.8 | -71 | -41.8 | 0 | 0 | 0 | 112 | Q85 | D82-Q85 WeakPolarHBondContact O-CB 3.33Å; D82-Q85 PolarHBondContact O-N 3.05Å | ||
| 83 | V | 88 | Confident | 79.7 | Confident | 78 Ų | 78 | 87.5 Ų | 87.5 | 47% | 0.473 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | 138.7 | 175.4 | -179.9 | 0 | 0 | 0 | 0 | 109.5 | Q85 T104 | V83-Q85 VanDerWaalsContact C-N 3.33Å; V83-T104 WeakPolarHBondContact CG1-O 3.43Å |
| 84 | N | 89.4 | Confident | 80.6 | Confident | 122 Ų | 122 | 88.6 Ų | 88.6 | 65% | 0.652 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.7 | 11.8 | -173.7 | -52.2 | -58.1 | 0 | 0 | 0 | 116.3 | T102 I103 | N84-T102 HydrophobicContact CB-CG2 4.45Å; N84-I103 WeakPolarHBondContact CA-O 3.47Å; N84-I103 PolarHBondContact N-O 3.11Å |
| 85 | Q | 88 | Confident | 81.8 | Confident | 48 Ų | 48 | 89.6 Ų | 89.6 | 22% | 0.224 | 49% | 0.492 | C | S | . | . | trans | -72.6 | 134.7 | 171 | -168.8 | -177.2 | 2.2 | 0 | 0 | 111.3 | D82 V83 V87 I103 | D82-Q85 WeakPolarHBondContact O-CB 3.33Å; D82-Q85 PolarHBondContact O-N 3.05Å; V83-Q85 VanDerWaalsContact C-N 3.33Å; Q85-V87 HydrophobicContact CG-CG1 4.26Å; Q85-I103 PolarHBondContact O-N 2.84Å; Q85-I103 VanDerWaalsContact O-N 3.17Å | ||
| 86 | P | 91.8 | Very high | 83.1 | Confident | 81 Ų | 81 | 94 Ų | 94 | 53% | 0.526 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 127.6 | 169.5 | 29.9 | -33.1 | 0 | 0 | 0 | 110.3 | ||
| 87 | V | 93 | Very high | 84.7 | Confident | 6 Ų | 6 | 95.1 Ų | 95.1 | 4% | 0.036 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 155 | -177.4 | -65.4 | 0 | 0 | 0 | 0 | 111 | Q85 V89 A101 I103 I129 I130 T131 | Q85-V87 HydrophobicContact CG-CG1 4.26Å; V87-V89 HydrophobicContact CG2-CG2 4.13Å; V87-A101 PolarHBondContact N-O 3.37Å; V87-A101 CarbonylContact O-C 3.49Å; V87-A101 PolarHBondContact O-N 3.11Å; V87-I103 HydrophobicContact CG1-CD1 3.89Å; V87-I103 HydrophobicContact CG1-CG1 4.26Å; V87-I103 HydrophobicContact CG2-CD1 4.09Å; V87-I103 HydrophobicContact CG2-CG1 3.64Å; V87-I129 HydrophobicContact CB-CG2 3.55Å; V87-I129 HydrophobicContact CG1-CG2 3.9Å; V87-I129 HydrophobicContact CG2-CG2 3.57Å; V87-I130 CarbonylContact C-O 3.48Å; V87-I130 WeakPolarHBondContact CA-O 3.44Å; V87-I130 WeakPolarHBondContact CB-O 3.38Å; V87-T131 HydrophobicContact CG1-CG2 3.89Å |
| 88 | A | 93.1 | Very high | 86.2 | Confident | 25 Ų | 25 | 91.2 Ų | 91.2 | 21% | 0.207 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 128 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | W98 I129 I130 | A88-W98 HydrophobicContact CB-CB 4.43Å; A88-W98 HydrophobicContact CB-CE3 4.36Å; A88-I129 WeakPolarHBondContact O-CA 3.42Å; A88-I130 HydrophobicContact CB-CB 4.4Å; A88-I130 PolarHBondContact N-O 2.88Å; A88-I130 PolarHBondContact O-N 3.3Å |
| 89 | V | 93.4 | Very high | 87.5 | Confident | 2 Ų | 2 | 84.9 Ų | 84.9 | 1% | 0.012 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 141 | -176.8 | 171.2 | 0 | 0 | 0 | 0 | 110.5 | V87 N91 W98 V99 A101 A114 V122 R124 I129 | V87-V89 HydrophobicContact CG2-CG2 4.13Å; V89-N91 PolarHBondContact O-N 3.11Å; V89-W98 WeakPolarHBondContact O-CA 2.79Å; V89-V99 PolarHBondContact N-O 2.97Å; V89-V99 PolarHBondContact O-N 2.87Å; V89-A101 HydrophobicContact CB-CB 4.22Å; V89-A101 HydrophobicContact CG2-CB 3.64Å; V89-A114 HydrophobicContact CG2-CB 3.74Å; V89-V122 HydrophobicContact CG1-CG2 3.95Å; V89-R124 HydrophobicContact CG1-CB 4.39Å; V89-R124 HydrophobicContact CG1-CG 3.53Å; V89-I129 HydrophobicContact CG2-CG1 4.37Å |
| 90 | R | 92.5 | Very high | 88.4 | Confident | 98 Ų | 98 | 80.9 Ų | 80.9 | 37% | 0.37 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 121.8 | 176.4 | -161.1 | 172.9 | 179.1 | 175.9 | -0.7 | 111.7 | F92 K97 W98 R124 H128 | R90-F92 HydrophobicContact CG-CE1 4.28Å; R90-F92 HydrophobicContact CG-CZ 4.35Å; R90-K97 CarbonylContact C-O 3.6Å; R90-K97 WeakPolarHBondContact CA-O 3.08Å; R90-K97 WeakPolarHBondContact CG-O 3.43Å; R90-W98 HydrophobicContact CB-CE3 4.16Å; R90-W98 HydrophobicContact CB-CH2 4.06Å; R90-W98 HydrophobicContact CB-CZ3 3.83Å; R90-W98 HydrophobicContact CG-CH2 4.49Å; R90-R124 PolarHBondContact O-NE 3.31Å; R90-H128 HydrophobicContact CB-CB 3.99Å; R90-H128 PolarHBondContact N-O 2.79Å |
| 91 | N | 91.7 | Very high | 88.8 | Confident | 41 Ų | 41 | 76.6 Ų | 76.6 | 22% | 0.219 | 40% | 0.403 | C | S | . | . | trans | -93.2 | 130.6 | 170.7 | -173.3 | 9.7 | 0 | 0 | 0 | 109.8 | V89 A93 S94 R96 K97 V99 | V89-N91 PolarHBondContact O-N 3.11Å; N91-A93 PolarHBondContact OD1-N 2.96Å; N91-A93 VanDerWaalsContact OD1-N 3.1Å; N91-S94 WeakPolarHBondContact ND2-CB 3.38Å; N91-R96 WeakPolarHBondContact CB-O 3.45Å; N91-K97 PolarHBondContact N-O 3.09Å; N91-V99 HydrophobicContact CB-CG2 3.67Å | ||
| 92 | F | 88.4 | Confident | 89.3 | Confident | 119 Ų | 119 | 78.4 Ų | 78.4 | 52% | 0.522 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -101.9 | -14.3 | -179.8 | -65 | -71.1 | 0 | 0 | 0 | 113.1 | R90 H128 | R90-F92 HydrophobicContact CG-CE1 4.28Å; R90-F92 HydrophobicContact CG-CZ 4.35Å; F92-H128 AromaticContact CZ-CE1 3.72Å; F92-H128 AromaticContact CZ-ND1 3.64Å |
| 93 | A | 83.4 | Confident | 89.6 | Confident | 99 Ų | 99 | 72.8 Ų | 72.8 | 82% | 0.818 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -91.8 | -15.4 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | N91 | N91-A93 PolarHBondContact OD1-N 2.96Å; N91-A93 VanDerWaalsContact OD1-N 3.1Å |
| 94 | S | 77.4 | Confident | 89.8 | Confident | 70 Ų | 70 | 71.2 Ų | 71.2 | 49% | 0.49 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -139.5 | 175.2 | -166.9 | -157.5 | 0 | 0 | 0 | 0 | 113.1 | N91 | N91-S94 WeakPolarHBondContact ND2-CB 3.38Š|
| 95 | D | 80.9 | Confident | 89.9 | Confident | 133 Ų | 133 | 69.5 Ų | 69.5 | 71% | 0.711 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -66 | -39.7 | -178.5 | 63.8 | -23.8 | 0 | 0 | 0 | 112.6 | K97 | D95-K97 PolarHBondContact O-N 3.11Š|
| 96 | R | 82.7 | Confident | 90.1 | Very high | 189 Ų | 189 | 70.8 Ų | 70.8 | 71% | 0.713 | 38% | 0.379 | S | S | * | . | trans | -75.2 | 96.7 | 175.1 | -66.8 | -172.8 | -177.2 | -157.2 | 1 | 110.3 | N91 W98 | N91-R96 WeakPolarHBondContact CB-O 3.45Å; R96-W98 PolarHBondContact O-N 2.7Å | ||
| 97 | K | 88.2 | Confident | 90.1 | Very high | 134 Ų | 134 | 70.6 Ų | 70.6 | 58% | 0.583 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -59 | -28.3 | -178.6 | -67.7 | -179.7 | -178.6 | 174.5 | 0 | 114.3 | R90 N91 D95 | R90-K97 CarbonylContact C-O 3.6Å; R90-K97 WeakPolarHBondContact CA-O 3.08Å; R90-K97 WeakPolarHBondContact CG-O 3.43Å; N91-K97 PolarHBondContact N-O 3.09Å; D95-K97 PolarHBondContact O-N 3.11Å |
| 98 | W | 92.9 | Very high | 89.8 | Confident | 104 Ų | 104 | 71.6 Ų | 71.6 | 39% | 0.394 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 126.2 | -176.3 | -64 | 104.9 | 0 | 0 | 0 | 110.1 | A88 V89 R90 R96 H128 I130 | A88-W98 HydrophobicContact CB-CB 4.43Å; A88-W98 HydrophobicContact CB-CE3 4.36Å; V89-W98 WeakPolarHBondContact O-CA 2.79Å; R90-W98 HydrophobicContact CB-CE3 4.16Å; R90-W98 HydrophobicContact CB-CH2 4.06Å; R90-W98 HydrophobicContact CB-CZ3 3.83Å; R90-W98 HydrophobicContact CG-CH2 4.49Å; R96-W98 PolarHBondContact O-N 2.7Å; W98-H128 WeakPolarHBondContact CZ3-O 3.21Å; W98-I130 HydrophobicContact CD2-CD1 3.83Å; W98-I130 HydrophobicContact CE3-CD1 3.82Å; W98-I130 HydrophobicContact CE3-CG1 4.13Å; W98-I130 HydrophobicContact CH2-CD1 3.35Å; W98-I130 HydrophobicContact CH2-CG1 3.58Å; W98-I130 HydrophobicContact CZ2-CD1 3.34Å; W98-I130 HydrophobicContact CZ2-CG1 4.12Å; W98-I130 HydrophobicContact CZ3-CB 4.33Å; W98-I130 HydrophobicContact CZ3-CD1 3.58Å; W98-I130 HydrophobicContact CZ3-CG1 3.57Å |
| 99 | V | 91.9 | Very high | 89.5 | Confident | 20 Ų | 20 | 75.3 Ų | 75.3 | 12% | 0.121 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 132.6 | -178 | -176.8 | 0 | 0 | 0 | 0 | 109 | V89 N91 A101 L116 | V89-V99 PolarHBondContact N-O 2.97Å; V89-V99 PolarHBondContact O-N 2.87Å; N91-V99 HydrophobicContact CB-CG2 3.67Å; V99-A101 PolarHBondContact O-N 3.5Å; V99-L116 HydrophobicContact CB-CD1 3.88Å; V99-L116 HydrophobicContact CB-CG 4.36Å; V99-L116 HydrophobicContact CG1-CD1 3.55Å; V99-L116 HydrophobicContact CG1-CD2 3.8Å; V99-L116 HydrophobicContact CG1-CG 3.52Å |
| 100 | P | 93 | Very high | 89.3 | Confident | 91 Ų | 91 | 78 Ų | 78 | 59% | 0.591 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 136 | 178.1 | 27.2 | -35.5 | 0 | 0 | 0 | 111.2 | ||
| 101 | A | 92.7 | Very high | 89.3 | Confident | 6 Ų | 6 | 74.9 Ų | 74.9 | 5% | 0.05 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 164.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | V87 V89 V99 A114 R115 L116 | V87-A101 PolarHBondContact N-O 3.37Å; V87-A101 CarbonylContact O-C 3.49Å; V87-A101 PolarHBondContact O-N 3.11Å; V89-A101 HydrophobicContact CB-CB 4.22Å; V89-A101 HydrophobicContact CG2-CB 3.64Å; V99-A101 PolarHBondContact O-N 3.5Å; A101-A114 HydrophobicContact CB-CB 3.9Å; A101-R115 CarbonylContact C-O 3.57Å; A101-R115 WeakPolarHBondContact CA-O 3.47Å; A101-R115 VanDerWaalsContact CB-O 3.31Å; A101-R115 WeakPolarHBondContact CB-O 3.45Å; A101-L116 HydrophobicContact CB-CD1 3.96Å |
| 102 | T | 94.4 | Very high | 89.4 | Confident | 62 Ų | 62 | 73.3 Ų | 73.3 | 38% | 0.38 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 131.9 | 173 | -54.9 | 0 | 0 | 0 | 0 | 109.6 | N84 T104 A114 R115 | N84-T102 HydrophobicContact CB-CG2 4.45Å; T102-T104 PolarHBondContact O-N 3.15Å; T102-A114 CarbonylContact O-C 3.48Å; T102-A114 WeakPolarHBondContact O-CA 3.36Å; T102-R115 PolarHBondContact N-O 3.37Å; T102-R115 PolarHBondContact O-N 3.21Å |
| 103 | I | 94.3 | Very high | 89.7 | Confident | 1 Ų | 1 | 71 Ų | 71 | 1% | 0.005 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 129.6 | -179.9 | -59.2 | 176.1 | 0 | 0 | 0 | 109.9 | L81 N84 Q85 V87 Y112 | L81-I103 HydrophobicContact CB-CD1 3.51Å; L81-I103 HydrophobicContact CD1-CD1 3.7Å; L81-I103 HydrophobicContact CG-CD1 4.17Å; N84-I103 WeakPolarHBondContact CA-O 3.47Å; N84-I103 PolarHBondContact N-O 3.11Å; Q85-I103 PolarHBondContact O-N 2.84Å; Q85-I103 VanDerWaalsContact O-N 3.17Å; V87-I103 HydrophobicContact CG1-CD1 3.89Å; V87-I103 HydrophobicContact CG1-CG1 4.26Å; V87-I103 HydrophobicContact CG2-CD1 4.09Å; V87-I103 HydrophobicContact CG2-CG1 3.64Å; I103-Y112 HydrophobicContact CG2-CD1 4.03Å |
| 104 | T | 93.2 | Very high | 90.2 | Very high | 45 Ų | 45 | 66.2 Ų | 66.2 | 28% | 0.276 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | -45.3 | 179.3 | -50.7 | 0 | 0 | 0 | 0 | 111.7 | V83 T102 K113 | V83-T104 WeakPolarHBondContact CG1-O 3.43Å; T102-T104 PolarHBondContact O-N 3.15Å; T104-K113 PolarHBondContact N-O 3.22Å |
| 105 | E | 92 | Very high | 91 | Very high | 85 Ų | 85 | 69.1 Ų | 69.1 | 40% | 0.397 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 150.5 | -178.7 | 56.9 | 178.9 | -160.5 | 0 | 0 | 112.3 | Y112 K113 | E105-Y112 WeakPolarHBondContact O-CA 3.5Å; E105-K113 HydrophobicContact CG-CB 3.84Å; E105-K113 HydrophobicContact CG-CD 4.04Å; E105-K113 HydrophobicContact CG-CG 4.03Å; E105-K113 PolarHBondContact N-O 2.81Å; E105-K113 PolarHBondContact O-N 3.39Å; E105-K113 WeakPolarHBondContact OE1-CD 3.43Å; E105-K113 WeakPolarHBondContact OE1-CE 3.16Å; E105-K113 IonicContact OE1-NZ 2.71Å; E105-K113 PolarHBondContact OE1-NZ 2.91Å |
| 106 | S | 91.3 | Very high | 91.6 | Very high | 76 Ų | 76 | 63.9 Ų | 63.9 | 53% | 0.531 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 116 | 168.7 | 55.6 | 0 | 0 | 0 | 0 | 109.7 | ||
| 107 | T | 91.6 | Very high | 91.8 | Very high | 76 Ų | 76 | 59.1 Ų | 59.1 | 47% | 0.466 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | -21.3 | 175.8 | -53.1 | 0 | 0 | 0 | 0 | 112 | S111 | T107-S111 PolarHBondContact N-O 3.08Å |
| 108 | G | 87.3 | Confident | 91.8 | Very high | 27 Ų | 27 | 58.1 Ų | 58.1 | 28% | 0.278 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.8 | -174.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | V110 S111 | G108-V110 PolarHBondContact O-N 2.85Å; G108-V110 VanDerWaalsContact O-N 3.09Å; G108-S111 PolarHBondContact N-O 3.44Å; G108-S111 VanDerWaalsContact N-O 3.14Å; G108-S111 PolarHBondContact O-N 3.06Å |
| 109 | P | 85.9 | Confident | 91.5 | Very high | 104 Ų | 104 | 55.5 Ų | 55.5 | 68% | 0.675 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -31.2 | -173.3 | -24.8 | 33.2 | 0 | 0 | 0 | 113.9 | ||
| 110 | V | 89.8 | Confident | 91.5 | Very high | 57 Ų | 57 | 63 Ų | 63 | 35% | 0.345 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127.5 | 6.3 | -174.8 | -153.8 | 0 | 0 | 0 | 0 | 112.5 | G108 H125 I126 | G108-V110 PolarHBondContact O-N 2.85Å; G108-V110 VanDerWaalsContact O-N 3.09Å; V110-H125 VanDerWaalsContact CG1-CE1 3.45Å; V110-H125 WeakPolarHBondContact CG1-CE1 3.47Å; V110-H125 WeakPolarHBondContact CG1-NE2 3.37Å; V110-H125 CarbonylContact O-C 3.48Å; V110-H125 WeakPolarHBondContact O-CA 3.2Å; V110-H125 PolarHBondContact O-CD2 2.84Å; V110-I126 HydrophobicContact CG1-CB 3.63Å; V110-I126 HydrophobicContact CG1-CG2 3.15Å; V110-I126 PolarHBondContact O-N 2.96Å |
| 111 | S | 92.5 | Very high | 91.4 | Very high | 33 Ų | 33 | 63.4 Ų | 63.4 | 23% | 0.231 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 126.2 | -172.4 | -66.4 | 0 | 0 | 0 | 0 | 111.3 | T107 G108 | T107-S111 PolarHBondContact N-O 3.08Å; G108-S111 PolarHBondContact N-O 3.44Å; G108-S111 VanDerWaalsContact N-O 3.14Å; G108-S111 PolarHBondContact O-N 3.06Å |
| 112 | Y | 93.9 | Very high | 91.4 | Very high | 8 Ų | 8 | 64.4 Ų | 64.4 | 3% | 0.031 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 150.4 | -173.9 | -61.5 | -95.4 | 0 | 0 | 0 | 111.1 | L81 I103 E105 H123 R124 I126 I129 | L81-Y112 HydrophobicContact CB-CD1 4.39Å; L81-Y112 HydrophobicContact CB-CE1 3.82Å; L81-Y112 HydrophobicContact CD1-CD2 4.28Å; L81-Y112 HydrophobicContact CD1-CE2 4.17Å; L81-Y112 HydrophobicContact CG-CE2 4.46Å; L81-Y112 PolarHBondContact N-OH 3.21Å; I103-Y112 HydrophobicContact CG2-CD1 4.03Å; E105-Y112 WeakPolarHBondContact O-CA 3.5Å; Y112-H123 WeakPolarHBondContact O-CA 3.44Å; Y112-R124 PolarHBondContact N-O 2.89Å; Y112-R124 PolarHBondContact O-N 3.37Å; Y112-I126 HydrophobicContact CE2-CB 4.33Å; Y112-I126 HydrophobicContact CE2-CD1 3.92Å; Y112-I126 HydrophobicContact CE2-CG1 4.25Å; Y112-I129 HydrophobicContact CD2-CD1 4.07Å; Y112-I129 HydrophobicContact CG-CD1 4.21Å |
| 113 | K | 95.3 | Very high | 91.4 | Very high | 70 Ų | 70 | 65.8 Ų | 65.8 | 30% | 0.304 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 128.4 | 164.2 | -60.2 | -165.5 | -161.8 | 157.1 | 0 | 109.2 | T104 E105 I121 V122 | T104-K113 PolarHBondContact N-O 3.22Å; E105-K113 HydrophobicContact CG-CB 3.84Å; E105-K113 HydrophobicContact CG-CD 4.04Å; E105-K113 HydrophobicContact CG-CG 4.03Å; E105-K113 PolarHBondContact N-O 2.81Å; E105-K113 PolarHBondContact O-N 3.39Å; E105-K113 WeakPolarHBondContact OE1-CD 3.43Å; E105-K113 WeakPolarHBondContact OE1-CE 3.16Å; E105-K113 IonicContact OE1-NZ 2.71Å; E105-K113 PolarHBondContact OE1-NZ 2.91Å; K113-I121 HydrophobicContact CB-CG2 3.95Å; K113-I121 HydrophobicContact CD-CG2 4.22Å; K113-V122 WeakPolarHBondContact CA-O 3.31Å |
| 114 | A | 93 | Very high | 91.3 | Very high | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 140.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | V89 A101 T102 I121 V122 | V89-A114 HydrophobicContact CG2-CB 3.74Å; A101-A114 HydrophobicContact CB-CB 3.9Å; T102-A114 CarbonylContact O-C 3.48Å; T102-A114 WeakPolarHBondContact O-CA 3.36Å; A114-I121 WeakPolarHBondContact O-CA 3.45Å; A114-V122 HydrophobicContact CB-CG2 4.44Å; A114-V122 PolarHBondContact N-O 3.3Å; A114-V122 PolarHBondContact O-N 3.26Å |
| 115 | R | 94.7 | Very high | 91.4 | Very high | 131 Ų | 131 | 69.1 Ų | 69.1 | 49% | 0.494 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 117.9 | 177 | -177 | -178.8 | -61.8 | 179.2 | 1.7 | 109.4 | A101 T102 | A101-R115 CarbonylContact C-O 3.57Å; A101-R115 WeakPolarHBondContact CA-O 3.47Å; A101-R115 VanDerWaalsContact CB-O 3.31Å; A101-R115 WeakPolarHBondContact CB-O 3.45Å; T102-R115 PolarHBondContact N-O 3.37Å; T102-R115 PolarHBondContact O-N 3.21Å |
| 116 | L | 92.6 | Very high | 91.3 | Very high | 23 Ų | 23 | 65.7 Ų | 65.7 | 12% | 0.12 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 164.1 | 175.6 | -132.1 | 63.1 | 0 | 0 | 0 | 111 | V99 A101 D118 G119 R120 | V99-L116 HydrophobicContact CB-CD1 3.88Å; V99-L116 HydrophobicContact CB-CG 4.36Å; V99-L116 HydrophobicContact CG1-CD1 3.55Å; V99-L116 HydrophobicContact CG1-CD2 3.8Å; V99-L116 HydrophobicContact CG1-CG 3.52Å; A101-L116 HydrophobicContact CB-CD1 3.96Å; L116-D118 PolarHBondContact O-N 3.2Å; L116-D118 VanDerWaalsContact O-N 3.13Å; L116-G119 PolarHBondContact O-N 2.97Å; L116-R120 PolarHBondContact N-O 2.81Å |
| 117 | S | 87.6 | Confident | 91.3 | Very high | 89 Ų | 89 | 66.8 Ų | 66.8 | 62% | 0.622 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | -32.8 | 169.2 | 51 | 0 | 0 | 0 | 0 | 113.1 | G119 | S117-G119 PolarHBondContact O-N 3.06Š|
| 118 | D | 87.4 | Confident | 91.3 | Very high | 112 Ų | 112 | 65.8 Ų | 65.8 | 60% | 0.599 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | 5.3 | -176.2 | -49.4 | -13.5 | 0 | 0 | 0 | 112.6 | L116 R120 | L116-D118 PolarHBondContact O-N 3.2Å; L116-D118 VanDerWaalsContact O-N 3.13Å; D118-R120 PolarHBondContact O-N 3.09Å |
| 119 | G | 87.7 | Confident | 91.5 | Very high | 50 Ų | 50 | 65.2 Ų | 65.2 | 52% | 0.515 | 34% | 0.339 | S | S | . | . | S | Bend | trans | 78.8 | -8.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115 | L116 S117 | L116-G119 PolarHBondContact O-N 2.97Å; S117-G119 PolarHBondContact O-N 3.06Å |
| 120 | R | 90.5 | Very high | 91.7 | Very high | 178 Ų | 178 | 63.1 Ų | 63.1 | 67% | 0.672 | 32% | 0.322 | S | S | * | . | trans | -68.3 | 135.5 | 176.3 | -63.2 | -179.8 | -176.3 | -176 | -0.3 | 110.8 | L116 D118 | L116-R120 PolarHBondContact N-O 2.81Å; D118-R120 PolarHBondContact O-N 3.09Å | ||
| 121 | I | 92.6 | Very high | 91.5 | Very high | 99 Ų | 99 | 61.5 Ų | 61.5 | 51% | 0.508 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 123.9 | 174.9 | -59.3 | 171.7 | 0 | 0 | 0 | 108.6 | K113 A114 | K113-I121 HydrophobicContact CB-CG2 3.95Å; K113-I121 HydrophobicContact CD-CG2 4.22Å; A114-I121 WeakPolarHBondContact O-CA 3.45Å |
| 122 | V | 92.2 | Very high | 90.6 | Very high | 26 Ų | 26 | 64.5 Ų | 64.5 | 16% | 0.158 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 136.6 | 179.5 | -65.4 | 0 | 0 | 0 | 0 | 110.6 | V89 K113 A114 R124 | V89-V122 HydrophobicContact CG1-CG2 3.95Å; K113-V122 WeakPolarHBondContact CA-O 3.31Å; A114-V122 HydrophobicContact CB-CG2 4.44Å; A114-V122 PolarHBondContact N-O 3.3Å; A114-V122 PolarHBondContact O-N 3.26Å; V122-R124 HydrophobicContact CB-CG 4.48Å; V122-R124 HydrophobicContact CG2-CG 4.16Å |
| 123 | H | 94.1 | Very high | 89 | Confident | 91 Ų | 91 | 70.6 Ų | 70.6 | 42% | 0.421 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 129 | 172.4 | -177.2 | 97.4 | 0 | 0 | 0 | 110.1 | Y112 | Y112-H123 WeakPolarHBondContact O-CA 3.44Å |
| 124 | R | 93.2 | Very high | 87.2 | Confident | 49 Ų | 49 | 71.9 Ų | 71.9 | 19% | 0.185 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 147.8 | -173.5 | -64.4 | -71.1 | -175.2 | -94 | 1.7 | 112.3 | V89 R90 Y112 V122 H128 I129 | V89-R124 HydrophobicContact CG1-CB 4.39Å; V89-R124 HydrophobicContact CG1-CG 3.53Å; R90-R124 PolarHBondContact O-NE 3.31Å; Y112-R124 PolarHBondContact N-O 2.89Å; Y112-R124 PolarHBondContact O-N 3.37Å; V122-R124 HydrophobicContact CB-CG 4.48Å; V122-R124 HydrophobicContact CG2-CG 4.16Å; R124-H128 HydrophobicContact CB-CB 4.39Å; R124-I129 HydrophobicContact CB-CD1 4.25Å; R124-I129 HydrophobicContact CB-CG1 4.17Å |
| 125 | H | 94 | Very high | 85 | Confident | 68 Ų | 68 | 81.3 Ų | 81.3 | 32% | 0.315 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 154.8 | 171.2 | -170.5 | -107 | 0 | 0 | 0 | 110.5 | V110 D127 H128 | V110-H125 VanDerWaalsContact CG1-CE1 3.45Å; V110-H125 WeakPolarHBondContact CG1-CE1 3.47Å; V110-H125 WeakPolarHBondContact CG1-NE2 3.37Å; V110-H125 CarbonylContact O-C 3.48Å; V110-H125 WeakPolarHBondContact O-CA 3.2Å; V110-H125 PolarHBondContact O-CD2 2.84Å; H125-D127 IonicContact CE1-OD2 3.45Å; H125-D127 PolarHBondContact CE1-OD2 2.86Å; H125-D127 PolarHBondContact ND1-N 2.84Å; H125-D127 IonicContact ND1-OD2 2.61Å; H125-D127 PolarHBondContact ND1-OD2 3.17Å; H125-D127 VanDerWaalsContact ND1-OD2 3.11Å; H125-D127 PolarHBondContact O-N 2.81Å; H125-H128 WeakPolarHBondContact O-CA 3.46Å; H125-H128 WeakPolarHBondContact O-CB 3.39Å; H125-H128 PolarHBondContact O-N 2.87Å |
| 126 | I | 90.3 | Very high | 82.3 | Confident | 13 Ų | 13 | 82 Ų | 82 | 7% | 0.067 | 42% | 0.421 | C | S | . | . | G | 310 helix | trans | -58.1 | -35.3 | -177.6 | -157 | 157.4 | 0 | 0 | 0 | 113.4 | R79 L81 V110 Y112 H128 I129 | R79-I126 HydrophobicContact CB-CD1 3.33Å; R79-I126 HydrophobicContact CB-CG1 4.29Å; R79-I126 WeakPolarHBondContact O-CD1 3.22Å; L81-I126 HydrophobicContact CD1-CD1 4.16Å; L81-I126 HydrophobicContact CD1-CG1 4Å; L81-I126 HydrophobicContact CG-CD1 4.11Å; L81-I126 HydrophobicContact CG-CG1 4.46Å; V110-I126 HydrophobicContact CG1-CB 3.63Å; V110-I126 HydrophobicContact CG1-CG2 3.15Å; V110-I126 PolarHBondContact O-N 2.96Å; Y112-I126 HydrophobicContact CE2-CB 4.33Å; Y112-I126 HydrophobicContact CE2-CD1 3.92Å; Y112-I126 HydrophobicContact CE2-CG1 4.25Å; I126-H128 PolarHBondContact O-N 3.5Å; I126-H128 VanDerWaalsContact O-N 3.08Å; I126-I129 PolarHBondContact O-N 2.83Å; I126-I129 VanDerWaalsContact O-O 3.05Å |
| 127 | D | 90.6 | Very high | 80.1 | Confident | 99 Ų | 99 | 86.8 Ų | 86.8 | 53% | 0.529 | 45% | 0.454 | S | S | . | . | G | 310 helix | trans | -66.3 | -13 | 177.8 | -60.3 | -29.5 | 0 | 0 | 0 | 112.8 | H125 | H125-D127 IonicContact CE1-OD2 3.45Å; H125-D127 PolarHBondContact CE1-OD2 2.86Å; H125-D127 PolarHBondContact ND1-N 2.84Å; H125-D127 IonicContact ND1-OD2 2.61Å; H125-D127 PolarHBondContact ND1-OD2 3.17Å; H125-D127 VanDerWaalsContact ND1-OD2 3.11Å; H125-D127 PolarHBondContact O-N 2.81Å |
| 128 | H | 92.4 | Very high | 77.5 | Confident | 54 Ų | 54 | 88.5 Ų | 88.5 | 25% | 0.25 | 47% | 0.466 | C | S | . | . | G | 310 helix | trans | -102.5 | 13.6 | 176.1 | -58 | 164.6 | 0 | 0 | 0 | 112.3 | R90 F92 W98 R124 H125 I126 | R90-H128 HydrophobicContact CB-CB 3.99Å; R90-H128 PolarHBondContact N-O 2.79Å; F92-H128 AromaticContact CZ-CE1 3.72Å; F92-H128 AromaticContact CZ-ND1 3.64Å; W98-H128 WeakPolarHBondContact CZ3-O 3.21Å; R124-H128 HydrophobicContact CB-CB 4.39Å; H125-H128 WeakPolarHBondContact O-CA 3.46Å; H125-H128 WeakPolarHBondContact O-CB 3.39Å; H125-H128 PolarHBondContact O-N 2.87Å; I126-H128 PolarHBondContact O-N 3.5Å; I126-H128 VanDerWaalsContact O-N 3.08Å |
| 129 | I | 91.8 | Very high | 74.8 | Confident | 15 Ų | 15 | 86.5 Ų | 86.5 | 8% | 0.077 | 47% | 0.472 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 127.5 | 180 | -54.9 | 176.3 | 0 | 0 | 0 | 108.3 | L81 V87 A88 V89 Y112 R124 I126 | L81-I129 HydrophobicContact CD1-CB 4.23Å; L81-I129 HydrophobicContact CD1-CD1 4.25Å; L81-I129 HydrophobicContact CD1-CG2 3.81Å; V87-I129 HydrophobicContact CB-CG2 3.55Å; V87-I129 HydrophobicContact CG1-CG2 3.9Å; V87-I129 HydrophobicContact CG2-CG2 3.57Å; A88-I129 WeakPolarHBondContact O-CA 3.42Å; V89-I129 HydrophobicContact CG2-CG1 4.37Å; Y112-I129 HydrophobicContact CD2-CD1 4.07Å; Y112-I129 HydrophobicContact CG-CD1 4.21Å; R124-I129 HydrophobicContact CB-CD1 4.25Å; R124-I129 HydrophobicContact CB-CG1 4.17Å; I126-I129 PolarHBondContact O-N 2.83Å; I126-I129 VanDerWaalsContact O-O 3.05Å |
| 130 | I | 90.2 | Very high | 72.1 | Confident | 61 Ų | 61 | 89.8 Ų | 89.8 | 31% | 0.313 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 127 | 178.5 | -66.1 | 177 | 0 | 0 | 0 | 108.3 | V87 A88 W98 T134 | V87-I130 CarbonylContact C-O 3.48Å; V87-I130 WeakPolarHBondContact CA-O 3.44Å; V87-I130 WeakPolarHBondContact CB-O 3.38Å; A88-I130 HydrophobicContact CB-CB 4.4Å; A88-I130 PolarHBondContact N-O 2.88Å; A88-I130 PolarHBondContact O-N 3.3Å; W98-I130 HydrophobicContact CD2-CD1 3.83Å; W98-I130 HydrophobicContact CE3-CD1 3.82Å; W98-I130 HydrophobicContact CE3-CG1 4.13Å; W98-I130 HydrophobicContact CH2-CD1 3.35Å; W98-I130 HydrophobicContact CH2-CG1 3.58Å; W98-I130 HydrophobicContact CZ2-CD1 3.34Å; W98-I130 HydrophobicContact CZ2-CG1 4.12Å; W98-I130 HydrophobicContact CZ3-CB 4.33Å; W98-I130 HydrophobicContact CZ3-CD1 3.58Å; W98-I130 HydrophobicContact CZ3-CG1 3.57Å; I130-T134 WeakPolarHBondContact CG2-OG1 3.07Å |
| 131 | T | 84.9 | Confident | 69.1 | Low | 23 Ų | 23 | 89.2 Ų | 89.2 | 14% | 0.141 | 49% | 0.492 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 145.1 | 169.8 | 54.4 | 0 | 0 | 0 | 0 | 110 | L81 V87 D133 T134 | L81-T131 HydrophobicContact CD2-CG2 3.41Å; L81-T131 VanDerWaalsContact CD2-CG2 3.41Å; V87-T131 HydrophobicContact CG1-CG2 3.89Å; T131-D133 PolarHBondContact O-N 3.24Å; T131-D133 VanDerWaalsContact O-N 3.11Å; T131-T134 PolarHBondContact O-N 3.1Å; T131-T134 PolarHBondContact O-OG1 3.42Å |
| 132 | D | 73.4 | Confident | 66 | Low | 95 Ų | 95 | 90.9 Ų | 90.9 | 51% | 0.508 | 51% | 0.507 | S | S | . | . | G | 310 helix | trans | -60.5 | -21.8 | -179.7 | -82.8 | -34.6 | 0 | 0 | 0 | 113.2 | T134 R135 | D132-T134 PolarHBondContact O-N 3.03Å; D132-T134 VanDerWaalsContact O-N 3.09Å; D132-R135 WeakPolarHBondContact O-CA 3.49Å; D132-R135 WeakPolarHBondContact O-CB 2.99Å; D132-R135 PolarHBondContact O-N 2.83Å |
| 133 | D | 61.7 | Low | 62.9 | Low | 136 Ų | 136 | 93.2 Ų | 93.2 | 73% | 0.727 | 54% | 0.536 | S | S | * | . | G | 310 helix | trans | -59.3 | -23.1 | 173.1 | -61.8 | -28.1 | 0 | 0 | 0 | 112.8 | T131 | T131-D133 PolarHBondContact O-N 3.24Å; T131-D133 VanDerWaalsContact O-N 3.11Å |
| 134 | T | 55.6 | Low | 59.8 | Low | 98 Ų | 98 | 95.7 Ų | 95.7 | 60% | 0.601 | 56% | 0.558 | S | S | * | * | G | 310 helix | trans | -90.1 | 0.3 | 174.8 | 61.1 | 0 | 0 | 0 | 0 | 113.6 | I130 T131 D132 N136 | I130-T134 WeakPolarHBondContact CG2-OG1 3.07Å; T131-T134 PolarHBondContact O-N 3.1Å; T131-T134 PolarHBondContact O-OG1 3.42Å; D132-T134 PolarHBondContact O-N 3.03Å; D132-T134 VanDerWaalsContact O-N 3.09Å; T134-N136 PolarHBondContact O-N 3.14Å; T134-N136 VanDerWaalsContact O-N 3.11Å |
| 135 | R | 47.1 | Very low | 56.9 | Low | 197 Ų | 197 | 97.6 Ų | 97.6 | 74% | 0.743 | 58% | 0.583 | S | S | * | * | trans | -86.3 | 59.3 | 172.8 | -163.1 | -178.6 | -178.6 | 156.8 | -0.7 | 110.7 | D132 | D132-R135 WeakPolarHBondContact O-CA 3.49Å; D132-R135 WeakPolarHBondContact O-CB 2.99Å; D132-R135 PolarHBondContact O-N 2.83Å | ||
| 136 | N | 39.5 | Very low | 53.8 | Low | 145 Ų | 145 | 103.5 Ų | 103.5 | 78% | 0.775 | 61% | 0.611 | S | S | * | * | trans | -79.5 | 129.6 | 158.8 | -95.7 | -21 | 0 | 0 | 0 | 109.2 | T134 S138 | T134-N136 PolarHBondContact O-N 3.14Å; T134-N136 VanDerWaalsContact O-N 3.11Å; N136-S138 PolarHBondContact O-N 2.87Å | ||
| 137 | P | 45.4 | Very low | 51.3 | Low | 124 Ų | 124 | 108.4 Ų | 108.4 | 81% | 0.805 | 64% | 0.644 | S | S | * | * | trans | -85.2 | 107.5 | -166.6 | 33.4 | -31.9 | 0 | 0 | 0 | 110.2 | ||||
| 138 | S | 32.6 | Very low | 49.1 | Very low | 126 Ų | 126 | 109.3 Ų | 109.3 | 88% | 0.881 | 66% | 0.655 | S | S | * | * | trans | -139.7 | 116.9 | 166.3 | -172.3 | 0 | 0 | 0 | 0 | 109 | N136 | N136-S138 PolarHBondContact O-N 2.87Š| ||
| 139 | G | 31.3 | Very low | 46.4 | Very low | 70 Ų | 70 | 113.4 Ų | 113.4 | 72% | 0.722 | 68% | 0.684 | S | S | * | * | trans | 135 | 35.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | E141 | G139-E141 PolarHBondContact O-N 2.81Š| ||
| 140 | S | 31.8 | Very low | 43.6 | Very low | 118 Ų | 118 | 116.7 Ų | 116.7 | 83% | 0.825 | 71% | 0.713 | S | S | * | * | trans | -79.1 | 52.6 | 159.7 | 65.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 141 | E | 27.4 | Very low | 40.8 | Very low | 166 Ų | 166 | 120.3 Ų | 120.3 | 78% | 0.776 | 74% | 0.738 | S | S | * | * | trans | -138.4 | 99.6 | 179 | -67.3 | -166.2 | -155.6 | 0 | 0 | 111.8 | G139 | G139-E141 PolarHBondContact O-N 2.81Š| ||
| 142 | T | 27.2 | Very low | 38.3 | Very low | 135 Ų | 135 | 127 Ų | 127 | 83% | 0.828 | 77% | 0.772 | S | S | * | * | 54.2 | 110.9 | 128.3 | 10 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 143 | G | 27.7 | Very low | 36.3 | Very low | 75 Ų | 75 | 131.4 Ų | 131.4 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | trans | 84.1 | 91.4 | 132.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 144 | V | 28.6 | Very low | 34.8 | Very low | 143 Ų | 143 | 130 Ų | 130 | 87% | 0.867 | 79% | 0.79 | S | S | * | * | trans | -124.7 | 105.9 | 150.8 | -173.1 | 0 | 0 | 0 | 0 | 107.7 | Q146 | V144-Q146 PolarHBondContact O-N 3.41Š| ||
| 145 | A | 31 | Very low | 33.5 | Very low | 88 Ų | 88 | 134 Ų | 134 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | trans | -50.5 | 124.3 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 146 | Q | 28.6 | Very low | 32.6 | Very low | 193 Ų | 193 | 133.5 Ų | 133.5 | 90% | 0.902 | 81% | 0.806 | S | S | * | * | trans | -60.2 | 140.1 | 165.4 | -76.2 | 172.5 | -27 | 0 | 0 | 109.7 | V144 | V144-Q146 PolarHBondContact O-N 3.41Š| ||
| 147 | P | 37.7 | Very low | 32 | Very low | 115 Ų | 115 | 135.8 Ų | 135.8 | 75% | 0.747 | 81% | 0.811 | S | S | * | * | -134.8 | 163.3 | 120.3 | 26.9 | -9.2 | 0 | 0 | 0 | 113.2 | |||||
| 148 | P | 45.4 | Very low | 31.3 | Very low | 118 Ų | 118 | 135 Ų | 135 | 77% | 0.766 | 81% | 0.809 | S | S | * | * | trans | -98.3 | 152.2 | -156.4 | 37.3 | -31.2 | 0 | 0 | 0 | 111.9 | ||||
| 149 | T | 35.6 | Very low | 31.1 | Very low | 141 Ų | 141 | 137.1 Ų | 137.1 | 87% | 0.865 | 81% | 0.811 | S | S | * | * | trans | -147 | 113 | 151.9 | -37.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 150 | A | 32.5 | Very low | 31.3 | Very low | 83 Ų | 83 | 138.8 Ų | 138.8 | 69% | 0.686 | 82% | 0.818 | S | S | * | * | trans | -65.5 | 134.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 151 | V | 33 | Very low | 31.2 | Very low | 137 Ų | 137 | 142.5 Ų | 142.5 | 83% | 0.83 | 82% | 0.822 | S | S | * | * | trans | -148.4 | 97.1 | 149.3 | -97.9 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 152 | L | 31.7 | Very low | 31.4 | Very low | 163 Ų | 163 | 144 Ų | 144 | 85% | 0.853 | 83% | 0.826 | S | S | * | * | trans | -86.2 | 101.3 | 169.8 | -77.7 | 155 | 0 | 0 | 0 | 106.7 | ||||
| 153 | E | 32 | Very low | 31.4 | Very low | 188 Ų | 188 | 146.3 Ų | 146.3 | 88% | 0.879 | 83% | 0.827 | S | S | * | * | trans | -117.7 | 90.3 | 161.9 | -80.1 | 178.8 | 163.7 | 0 | 0 | 107.8 | ||||
| 154 | S | 29.6 | Very low | 31.6 | Very low | 106 Ų | 106 | 149 Ų | 149 | 74% | 0.741 | 83% | 0.829 | S | S | * | * | trans | -69.3 | 133 | 161.5 | -74.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 155 | E | 28.5 | Very low | 31.9 | Very low | 183 Ų | 183 | 146.6 Ų | 146.6 | 86% | 0.855 | 82% | 0.824 | S | S | * | * | trans | 165 | 132.4 | 149.1 | -94.5 | 174.7 | -155.2 | 0 | 0 | 106 | ||||
| 156 | K | 28 | Very low | 32.1 | Very low | 187 Ų | 187 | 149 Ų | 149 | 81% | 0.813 | 83% | 0.829 | S | S | * | * | cis | -165.4 | 145.8 | 18 | -160.5 | 170.3 | -175.2 | 171.5 | 0 | 107.8 | ||||
| 157 | Q | 25.6 | Very low | 32.5 | Very low | 192 Ų | 192 | 145.1 Ų | 145.1 | 90% | 0.897 | 82% | 0.823 | S | S | * | * | trans | -61.4 | 140.5 | 175.3 | -66.7 | 156.1 | -60.9 | 0 | 0 | 112.8 | ||||
| 158 | S | 31 | Very low | 32.9 | Very low | 108 Ų | 108 | 144.8 Ų | 144.8 | 76% | 0.755 | 82% | 0.821 | S | S | * | * | trans | -163.4 | 101 | 141.7 | 62.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 159 | D | 29.4 | Very low | 33.3 | Very low | 171 Ų | 171 | 148.1 Ų | 148.1 | 91% | 0.914 | 83% | 0.827 | S | S | * | * | trans | -134.2 | 99.1 | 159.2 | -86.5 | -46.9 | 0 | 0 | 0 | 106.9 | ||||
| 160 | A | 36.1 | Very low | 34.5 | Very low | 105 Ų | 105 | 147.6 Ų | 147.6 | 87% | 0.868 | 82% | 0.823 | S | S | * | * | trans | -84 | 116.6 | 169.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 161 | E | 28.3 | Very low | 35.9 | Very low | 195 Ų | 195 | 148.2 Ų | 148.2 | 91% | 0.911 | 82% | 0.82 | S | S | * | * | trans | -57.3 | 129.3 | 162.3 | -70.7 | 169.6 | 128.1 | 0 | 0 | 110.3 | ||||
| 162 | K | 31.1 | Very low | 37.5 | Very low | 199 Ų | 199 | 147.1 Ų | 147.1 | 87% | 0.865 | 82% | 0.816 | S | S | * | * | trans | -157 | 109.9 | 134.6 | -152.2 | 161.4 | -178.8 | -179.5 | 0 | 111.4 | ||||
| 163 | Q | 27.3 | Very low | 39.2 | Very low | 182 Ų | 182 | 145.2 Ų | 145.2 | 85% | 0.85 | 81% | 0.813 | S | S | * | * | trans | -65 | 137.3 | 155.9 | -64.8 | 170 | -11.3 | 0 | 0 | 109 | ||||
| 164 | T | 32.2 | Very low | 40.9 | Very low | 133 Ų | 133 | 141.1 Ų | 141.1 | 82% | 0.816 | 81% | 0.805 | S | S | * | * | -176.7 | 118.2 | 127.6 | -69.4 | 0 | 0 | 0 | 0 | 107.1 | |||||
| 165 | A | 34.9 | Very low | 42.8 | Very low | 92 Ų | 92 | 142 Ų | 142 | 76% | 0.76 | 81% | 0.809 | S | S | * | * | trans | -69 | 128.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 166 | V | 36.2 | Very low | 45 | Very low | 137 Ų | 137 | 144.2 Ų | 144.2 | 83% | 0.83 | 81% | 0.809 | S | S | * | * | trans | -156.8 | 134.6 | 134.5 | -176.6 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 167 | S | 36 | Very low | 47.4 | Very low | 112 Ų | 112 | 141.2 Ų | 141.2 | 78% | 0.783 | 81% | 0.809 | S | S | * | * | trans | -29.9 | 124.6 | -175.8 | -61.7 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 168 | P | 47.1 | Very low | 49.8 | Very low | 109 Ų | 109 | 139.5 Ų | 139.5 | 71% | 0.708 | 80% | 0.804 | S | S | * | * | trans | -87.2 | 116 | 178 | 32.6 | -28.8 | 0 | 0 | 0 | 110.9 | V170 | P168-V170 PolarHBondContact O-N 2.79Š| ||
| 169 | E | 53.5 | Low | 52.2 | Low | 188 Ų | 188 | 145.1 Ų | 145.1 | 88% | 0.879 | 81% | 0.809 | S | S | * | * | trans | -52.5 | 114.3 | 148.7 | -176.9 | 110.3 | -167.7 | 0 | 0 | 107 | P171 | E169-P171 WeakPolarHBondContact O-CD 3.07Š| ||
| 170 | V | 61.3 | Low | 54.5 | Low | 129 Ų | 129 | 143.9 Ų | 143.9 | 78% | 0.782 | 80% | 0.802 | S | S | * | * | trans | -57.1 | 106.4 | -174 | 179.5 | 0 | 0 | 0 | 0 | 109.1 | P168 | P168-V170 PolarHBondContact O-N 2.79Š| ||
| 171 | P | 60.9 | Low | 56.6 | Low | 97 Ų | 97 | 150.2 Ų | 150.2 | 63% | 0.63 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 144.2 | 173.3 | 29.9 | -30.2 | 0 | 0 | 0 | 107.9 | E169 | E169-P171 WeakPolarHBondContact O-CD 3.07Š|
| 172 | P | 66.3 | Low | 59.1 | Low | 114 Ų | 114 | 151.5 Ų | 151.5 | 74% | 0.74 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 146.2 | -176.3 | 23 | -33 | 0 | 0 | 0 | 110.6 | S174 | P172-S174 PolarHBondContact O-N 2.87Å; P172-S174 VanDerWaalsContact O-N 3.12Å |
| 173 | P | 67.4 | Low | 61.3 | Low | 122 Ų | 122 | 146.8 Ų | 146.8 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 122.3 | -175.9 | 23.2 | -33.5 | 0 | 0 | 0 | 109.6 | ||
| 174 | S | 68.1 | Low | 63.9 | Low | 103 Ų | 103 | 141.5 Ų | 141.5 | 72% | 0.72 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 133.5 | 175.2 | 52.1 | 0 | 0 | 0 | 0 | 109.2 | P172 R176 | P172-S174 PolarHBondContact O-N 2.87Å; P172-S174 VanDerWaalsContact O-N 3.12Å; S174-R176 PolarHBondContact O-N 2.86Å |
| 175 | P | 69.8 | Low | 66.2 | Low | 125 Ų | 125 | 140.3 Ų | 140.3 | 81% | 0.812 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 136.4 | 179.7 | 22.5 | -30.9 | 0 | 0 | 0 | 109.4 | ||
| 176 | R | 75.3 | Confident | 68.5 | Low | 229 Ų | 229 | 143.4 Ų | 143.4 | 86% | 0.864 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -56 | 136 | 178.6 | -65.7 | -178 | -178.9 | -138.2 | 0.8 | 109 | S174 I178 | S174-R176 PolarHBondContact O-N 2.86Å; R176-I178 PolarHBondContact O-N 2.9Å; R176-I178 VanDerWaalsContact O-N 3.14Å |
| 177 | P | 77 | Confident | 70.5 | Confident | 124 Ų | 124 | 141.1 Ų | 141.1 | 81% | 0.805 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 123.1 | 179.6 | 22.2 | -31.9 | 0 | 0 | 0 | 110 | R179 | P177-R179 PolarHBondContact O-N 3.14Å; P177-R179 VanDerWaalsContact O-N 3.14Å |
| 178 | I | 77.6 | Confident | 72.5 | Confident | 156 Ų | 156 | 139.5 Ų | 139.5 | 80% | 0.8 | 73% | 0.733 | S | S | * | * | trans | -67.1 | 113.1 | 177.4 | -63 | 170.8 | 0 | 0 | 0 | 107.2 | R176 N180 | R176-I178 PolarHBondContact O-N 2.9Å; R176-I178 VanDerWaalsContact O-N 3.14Å; I178-N180 PolarHBondContact O-N 3Å | ||
| 179 | R | 80.1 | Confident | 74.1 | Confident | 225 Ų | 225 | 140.8 Ų | 140.8 | 85% | 0.849 | 73% | 0.734 | S | S | * | * | trans | -72.2 | 117.4 | 174.3 | -75.2 | -175.6 | 173.8 | -175.6 | -2 | 108.9 | P177 R181 | P177-R179 PolarHBondContact O-N 3.14Å; P177-R179 VanDerWaalsContact O-N 3.14Å; R179-R181 PolarHBondContact O-N 3.04Å | ||
| 180 | N | 78.4 | Confident | 74.8 | Confident | 145 Ų | 145 | 140.7 Ų | 140.7 | 78% | 0.775 | 73% | 0.727 | S | S | * | * | trans | -62.2 | 104.6 | 167.7 | -73.8 | -25.9 | 0 | 0 | 0 | 109.1 | I178 R182 | I178-N180 PolarHBondContact O-N 3Å; N180-R182 PolarHBondContact O-N 3.13Å | ||
| 181 | R | 79.5 | Confident | 74.9 | Confident | 239 Ų | 239 | 140.4 Ų | 140.4 | 90% | 0.902 | 73% | 0.725 | S | S | * | * | trans | -79.3 | 102.5 | 174.3 | -63.5 | -168.2 | -179.3 | -157.5 | 1.4 | 108.2 | R179 | R179-R181 PolarHBondContact O-N 3.04Š| ||
| 182 | R | 80.5 | Confident | 74.7 | Confident | 221 Ų | 221 | 145.6 Ų | 145.6 | 83% | 0.834 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -98.7 | 131.1 | 164.3 | -71.5 | -174.9 | 179.4 | 178.4 | -0.1 | 108.6 | N180 | N180-R182 PolarHBondContact O-N 3.13Š|
| 183 | P | 78.8 | Confident | 75.1 | Confident | 100 Ų | 100 | 147.2 Ų | 147.2 | 65% | 0.649 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 150.7 | 171.8 | 26.9 | -32.1 | 0 | 0 | 0 | 110 | ||
| 184 | P | 80.1 | Confident | 75.5 | Confident | 71 Ų | 71 | 148.5 Ų | 148.5 | 46% | 0.461 | 75% | 0.753 | S | S | . | * | P | Polyproline II helix | trans | -57.6 | 144.8 | 173.9 | -21.8 | 32.6 | 0 | 0 | 0 | 111.7 | Y186 L187 | P184-Y186 VanDerWaalsContact C-N 3.27Å; P184-Y186 HydrophobicContact CB-CD1 3.59Å; P184-Y186 HydrophobicContact CB-CE1 3.29Å; P184-Y186 HydrophobicContact CG-CE1 3.93Å; P184-Y186 PolarHBondContact O-N 2.61Å; P184-L187 PolarHBondContact O-N 3.37Å; P184-L187 VanDerWaalsContact O-N 3.15Å |
| 185 | S | 81 | Confident | 75.9 | Confident | 109 Ų | 109 | 151.1 Ų | 151.1 | 76% | 0.762 | 76% | 0.755 | S | S | * | * | G | 310 helix | trans | -59.3 | -33.4 | -173.6 | 61.1 | 0 | 0 | 0 | 0 | 113.9 | L187 S188 | S185-L187 PolarHBondContact O-N 3.14Å; S185-L187 VanDerWaalsContact O-N 3.11Å; S185-S188 PolarHBondContact O-N 3.24Å; S185-S188 PolarHBondContact O-OG 2.91Å |
| 186 | Y | 82.6 | Confident | 76.3 | Confident | 157 Ų | 157 | 152.6 Ų | 152.6 | 62% | 0.616 | 75% | 0.752 | S | S | * | * | G | 310 helix | trans | -68.6 | -8.5 | -178.2 | 72.9 | -93.5 | 0 | 0 | 0 | 114.3 | P184 | P184-Y186 VanDerWaalsContact C-N 3.27Å; P184-Y186 HydrophobicContact CB-CD1 3.59Å; P184-Y186 HydrophobicContact CB-CE1 3.29Å; P184-Y186 HydrophobicContact CG-CE1 3.93Å; P184-Y186 PolarHBondContact O-N 2.61Å |
| 187 | L | 79.7 | Confident | 76.3 | Confident | 88 Ų | 88 | 147.8 Ų | 147.8 | 46% | 0.461 | 75% | 0.745 | S | S | . | * | G | 310 helix | trans | -90.1 | -6.3 | 179.4 | -136 | 94.3 | 0 | 0 | 0 | 113.3 | P184 S185 D189 Y190 | P184-L187 PolarHBondContact O-N 3.37Å; P184-L187 VanDerWaalsContact O-N 3.15Å; S185-L187 PolarHBondContact O-N 3.14Å; S185-L187 VanDerWaalsContact O-N 3.11Å; L187-D189 PolarHBondContact O-N 3.32Å; L187-Y190 PolarHBondContact O-N 3.24Å |
| 188 | S | 76.8 | Confident | 76.3 | Confident | 79 Ų | 79 | 149.4 Ų | 149.4 | 55% | 0.552 | 74% | 0.741 | S | S | * | * | G | 310 helix | trans | -60.9 | -28.3 | 177.3 | 52.3 | 0 | 0 | 0 | 0 | 112.8 | S185 Y190 | S185-S188 PolarHBondContact O-N 3.24Å; S185-S188 PolarHBondContact O-OG 2.91Å; S188-Y190 PolarHBondContact O-N 3.12Å |
| 189 | D | 81 | Confident | 76.2 | Confident | 135 Ų | 135 | 148.9 Ų | 148.9 | 72% | 0.722 | 74% | 0.737 | S | S | * | * | G | 310 helix | trans | -82.8 | -5.8 | -171.3 | -56 | -9 | 0 | 0 | 0 | 112.2 | L187 | L187-D189 PolarHBondContact O-N 3.32Š|
| 190 | Y | 69.5 | Low | 75.9 | Confident | 187 Ų | 187 | 143.1 Ų | 143.1 | 73% | 0.733 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -113 | 31.4 | -178 | -66.5 | -81.8 | 0 | 0 | 0 | 113 | L187 S188 V192 | L187-Y190 PolarHBondContact O-N 3.24Å; S188-Y190 PolarHBondContact O-N 3.12Å; Y190-V192 PolarHBondContact O-N 3.2Å |
| 191 | V | 61.9 | Low | 75.7 | Confident | 123 Ų | 123 | 142.9 Ų | 142.9 | 75% | 0.745 | 72% | 0.724 | S | S | * | * | trans | -87.3 | 107 | 168 | -175.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 192 | V | 56.7 | Low | 75.3 | Confident | 206 Ų | 206 | 134.2 Ų | 134.2 | 100% | 1.248 | 71% | 0.708 | S | S | * | * | trans | -67.6 | 0 | 166.6 | 178.2 | 0 | 0 | 0 | 0 | 109.8 | Y190 | Y190-V192 PolarHBondContact O-N 3.2Š|
Retrieved 192 of 192 residues in 266 ms
(Link to these results)