| 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 | 54.5 | Low | 76.7 | Confident | 217 Ų | 217 | 118.5 Ų | 118.5 | 100% | 1.069 | 61% | 0.606 | S | S | * | * | 0 | 143.8 | 0 | -71.4 | 171.5 | 170.5 | 0 | 0 | 108.2 | |||||
| 2 | T | 69.5 | Low | 77.4 | Confident | 97 Ų | 97 | 117.2 Ų | 117.2 | 60% | 0.595 | 60% | 0.601 | S | S | * | * | trans | -77.1 | 145.4 | 178.1 | 44.8 | 0 | 0 | 0 | 0 | 111.5 | E4 R5 | T2-E4 PolarHBondContact O-N 2.94Å; T2-R5 PolarHBondContact O-N 3.15Å | ||
| 3 | C | 74.4 | Confident | 78.1 | Confident | 99 Ų | 99 | 119.9 Ų | 119.9 | 67% | 0.669 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -52.9 | -39.4 | -178.2 | -177.5 | 0 | 0 | 0 | 0 | 112.4 | R5 L6 V7 | C3-R5 VanDerWaalsContact C-N 3.29Å; C3-R5 PolarHBondContact O-N 3Å; C3-L6 WeakPolarHBondContact O-CA 3.38Å; C3-L6 VanDerWaalsContact O-CB 3.27Å; C3-L6 WeakPolarHBondContact O-CB 3.21Å; C3-L6 PolarHBondContact O-N 3.29Å; C3-V7 PolarHBondContact O-N 3Å |
| 4 | E | 74.7 | Confident | 78.5 | Confident | 115 Ų | 115 | 119.7 Ų | 119.7 | 54% | 0.537 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -56.3 | -36.8 | 178.7 | -152.5 | -158.5 | 145.7 | 0 | 0 | 113.9 | T2 L6 V7 R8 | T2-E4 PolarHBondContact O-N 2.94Å; E4-L6 VanDerWaalsContact C-N 3.3Å; E4-L6 PolarHBondContact O-N 3.07Å; E4-V7 PolarHBondContact O-N 3.36Å; E4-R8 VanDerWaalsContact O-CG 3.32Å; E4-R8 WeakPolarHBondContact O-CG 3.45Å; E4-R8 PolarHBondContact O-N 3.26Å; E4-R8 IonicContact OE1-CZ 2.91Å; E4-R8 VanDerWaalsContact OE1-CZ 3.29Å; E4-R8 IonicContact OE1-NE 3.62Å; E4-R8 PolarHBondContact OE1-NE 3.44Å; E4-R8 VanDerWaalsContact OE1-NE 3.14Å; E4-R8 IonicContact OE1-NH2 2.85Å; E4-R8 PolarHBondContact OE1-NH2 2.88Å |
| 5 | R | 73.6 | Confident | 78.4 | Confident | 170 Ų | 170 | 117.5 Ų | 117.5 | 64% | 0.642 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -67.7 | -33.8 | 175.3 | -120.5 | -177.2 | -174.3 | -174.7 | 2.8 | 111.6 | T2 C3 L9 | T2-R5 PolarHBondContact O-N 3.15Å; C3-R5 VanDerWaalsContact C-N 3.29Å; C3-R5 PolarHBondContact O-N 3Å; R5-L9 WeakPolarHBondContact O-CB 3.37Å; R5-L9 VanDerWaalsContact O-CG 3.28Å; R5-L9 WeakPolarHBondContact O-CG 3.47Å; R5-L9 PolarHBondContact O-N 3.27Å |
| 6 | L | 79.8 | Confident | 78.3 | Confident | 106 Ų | 106 | 117.5 Ų | 117.5 | 56% | 0.555 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -73.7 | -40.5 | 179.1 | -141.9 | 162.5 | 0 | 0 | 0 | 110.7 | C3 E4 L9 L10 | C3-L6 WeakPolarHBondContact O-CA 3.38Å; C3-L6 VanDerWaalsContact O-CB 3.27Å; C3-L6 WeakPolarHBondContact O-CB 3.21Å; C3-L6 PolarHBondContact O-N 3.29Å; E4-L6 VanDerWaalsContact C-N 3.3Å; E4-L6 PolarHBondContact O-N 3.07Å; L6-L9 PolarHBondContact O-N 3.23Å; L6-L10 HydrophobicContact CD2-CD1 3.82Å; L6-L10 HydrophobicContact CD2-CG 4.26Å; L6-L10 WeakPolarHBondContact O-CG 3.26Å; L6-L10 PolarHBondContact O-N 3.42Å |
| 7 | V | 81.6 | Confident | 78 | Confident | 85 Ų | 85 | 113.7 Ų | 113.7 | 52% | 0.515 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -61.6 | -45.4 | 171.5 | 175.7 | 0 | 0 | 0 | 0 | 111.4 | C3 E4 L9 L10 A11 | C3-V7 PolarHBondContact O-N 3Å; E4-V7 PolarHBondContact O-N 3.36Å; V7-L9 VanDerWaalsContact C-N 3.35Å; V7-L9 PolarHBondContact O-N 3.32Å; V7-L10 PolarHBondContact O-N 3.39Å; V7-A11 WeakPolarHBondContact O-CB 3.48Å; V7-A11 PolarHBondContact O-N 3.36Å |
| 8 | R | 82.5 | Confident | 77.7 | Confident | 160 Ų | 160 | 110.9 Ų | 110.9 | 60% | 0.604 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -63.1 | -38.1 | 176.5 | -70.3 | 175.1 | -172.3 | -135.2 | 9.2 | 112.4 | E4 A11 L12 | E4-R8 VanDerWaalsContact O-CG 3.32Å; E4-R8 WeakPolarHBondContact O-CG 3.45Å; E4-R8 PolarHBondContact O-N 3.26Å; E4-R8 IonicContact OE1-CZ 2.91Å; E4-R8 VanDerWaalsContact OE1-CZ 3.29Å; E4-R8 IonicContact OE1-NE 3.62Å; E4-R8 PolarHBondContact OE1-NE 3.44Å; E4-R8 VanDerWaalsContact OE1-NE 3.14Å; E4-R8 IonicContact OE1-NH2 2.85Å; E4-R8 PolarHBondContact OE1-NH2 2.88Å; R8-A11 PolarHBondContact O-N 2.93Å; R8-L12 WeakPolarHBondContact O-CG 3.5Å; R8-L12 PolarHBondContact O-N 3.31Å |
| 9 | L | 85.5 | Confident | 77.2 | Confident | 109 Ų | 109 | 108.4 Ų | 108.4 | 57% | 0.571 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -67.8 | -40.8 | 174.8 | -75.1 | 167.9 | 0 | 0 | 0 | 112.6 | R5 L6 V7 L12 Y13 | R5-L9 WeakPolarHBondContact O-CB 3.37Å; R5-L9 VanDerWaalsContact O-CG 3.28Å; R5-L9 WeakPolarHBondContact O-CG 3.47Å; R5-L9 PolarHBondContact O-N 3.27Å; L6-L9 PolarHBondContact O-N 3.23Å; V7-L9 VanDerWaalsContact C-N 3.35Å; V7-L9 PolarHBondContact O-N 3.32Å; L9-L12 PolarHBondContact O-N 3.42Å; L9-Y13 WeakPolarHBondContact O-CB 3.36Å; L9-Y13 PolarHBondContact O-N 3.5Å |
| 10 | L | 84.9 | Confident | 76.6 | Confident | 95 Ų | 95 | 106.4 Ų | 106.4 | 50% | 0.497 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -63.4 | -42 | 173.6 | -79.4 | 164.8 | 0 | 0 | 0 | 112 | L6 V7 Y13 L14 | L6-L10 HydrophobicContact CD2-CD1 3.82Å; L6-L10 HydrophobicContact CD2-CG 4.26Å; L6-L10 WeakPolarHBondContact O-CG 3.26Å; L6-L10 PolarHBondContact O-N 3.42Å; V7-L10 PolarHBondContact O-N 3.39Å; L10-Y13 PolarHBondContact O-N 2.93Å; L10-L14 WeakPolarHBondContact O-CB 3.37Å; L10-L14 VanDerWaalsContact O-CG 3.29Å; L10-L14 WeakPolarHBondContact O-CG 3.24Å; L10-L14 PolarHBondContact O-N 2.97Å |
| 11 | A | 82.6 | Confident | 76.4 | Confident | 50 Ų | 50 | 104 Ų | 104 | 41% | 0.413 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -61.6 | -46.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | V7 R8 Y13 L14 T15 | V7-A11 WeakPolarHBondContact O-CB 3.48Å; V7-A11 PolarHBondContact O-N 3.36Å; R8-A11 PolarHBondContact O-N 2.93Å; A11-Y13 PolarHBondContact O-N 2.88Å; A11-L14 PolarHBondContact O-N 3.32Å; A11-T15 PolarHBondContact O-N 2.85Å; A11-T15 PolarHBondContact O-OG1 3.45Å |
| 12 | L | 85.1 | Confident | 77.2 | Confident | 103 Ų | 103 | 96.3 Ų | 96.3 | 54% | 0.539 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -59.4 | -46.1 | 175.3 | -75 | 167.7 | 0 | 0 | 0 | 111.9 | R8 L9 L14 T15 L16 | R8-L12 WeakPolarHBondContact O-CG 3.5Å; R8-L12 PolarHBondContact O-N 3.31Å; L9-L12 PolarHBondContact O-N 3.42Å; L12-L14 PolarHBondContact O-N 3.43Å; L12-T15 WeakPolarHBondContact CA-OG1 3.16Å; L12-T15 PolarHBondContact O-N 3.07Å; L12-T15 PolarHBondContact O-OG1 2.92Å; L12-L16 WeakPolarHBondContact O-CG 3.36Å; L12-L16 PolarHBondContact O-N 3.33Å |
| 13 | Y | 86.8 | Confident | 77.6 | Confident | 153 Ų | 153 | 93.6 Ų | 93.6 | 60% | 0.6 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -59.4 | -46.5 | 176.5 | -179.4 | -102.8 | 0 | 0 | 0 | 112 | L9 L10 A11 T15 L16 C17 | L9-Y13 WeakPolarHBondContact O-CB 3.36Å; L9-Y13 PolarHBondContact O-N 3.5Å; L10-Y13 PolarHBondContact O-N 2.93Å; A11-Y13 PolarHBondContact O-N 2.88Å; Y13-T15 PolarHBondContact O-N 2.86Å; Y13-L16 PolarHBondContact O-N 3.11Å; Y13-C17 VanDerWaalsContact CZ-SG 3.6Å; Y13-C17 PolarHBondContact O-N 2.61Å; Y13-C17 PolarHBondContact O-SG 3.18Å; Y13-C17 VanDerWaalsContact O-SG 3.37Å |
| 14 | L | 84.1 | Confident | 77.9 | Confident | 117 Ų | 117 | 92.5 Ų | 92.5 | 61% | 0.613 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.1 | -39.9 | 176.2 | -71.8 | 169 | 0 | 0 | 0 | 112.3 | L10 A11 L12 C17 A18 | L10-L14 WeakPolarHBondContact O-CB 3.37Å; L10-L14 VanDerWaalsContact O-CG 3.29Å; L10-L14 WeakPolarHBondContact O-CG 3.24Å; L10-L14 PolarHBondContact O-N 2.97Å; A11-L14 PolarHBondContact O-N 3.32Å; L12-L14 PolarHBondContact O-N 3.43Å; L14-C17 PolarHBondContact O-N 3.08Å; L14-A18 WeakPolarHBondContact O-CB 3.47Å; L14-A18 PolarHBondContact O-N 3.41Å |
| 15 | T | 76.8 | Confident | 78.5 | Confident | 86 Ų | 86 | 89.1 Ų | 89.1 | 53% | 0.528 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.9 | -35.7 | 174.6 | 52.8 | 0 | 0 | 0 | 0 | 113 | A11 L12 Y13 A18 A19 | A11-T15 PolarHBondContact O-N 2.85Å; A11-T15 PolarHBondContact O-OG1 3.45Å; L12-T15 WeakPolarHBondContact CA-OG1 3.16Å; L12-T15 PolarHBondContact O-N 3.07Å; L12-T15 PolarHBondContact O-OG1 2.92Å; Y13-T15 PolarHBondContact O-N 2.86Å; T15-A18 PolarHBondContact O-N 2.69Å; T15-A19 WeakPolarHBondContact O-CB 3.18Å; T15-A19 PolarHBondContact O-N 2.87Å |
| 16 | L | 76.4 | Confident | 79.2 | Confident | 118 Ų | 118 | 87 Ų | 87 | 62% | 0.618 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -67.7 | -43.3 | 175.2 | -74.9 | 162.1 | 0 | 0 | 0 | 111.5 | L12 Y13 A19 A20 | L12-L16 WeakPolarHBondContact O-CG 3.36Å; L12-L16 PolarHBondContact O-N 3.33Å; Y13-L16 PolarHBondContact O-N 3.11Å; L16-A19 PolarHBondContact O-N 2.81Å; L16-A20 WeakPolarHBondContact O-CB 3.27Å; L16-A20 PolarHBondContact O-N 3.47Å |
| 17 | C | 73.6 | Confident | 79.6 | Confident | 53 Ų | 53 | 84.6 Ų | 84.6 | 36% | 0.358 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.2 | -41.5 | 174.2 | -69.1 | 0 | 0 | 0 | 0 | 112.3 | Y13 L14 A20 A21 | Y13-C17 VanDerWaalsContact CZ-SG 3.6Å; Y13-C17 PolarHBondContact O-N 2.61Å; Y13-C17 PolarHBondContact O-SG 3.18Å; Y13-C17 VanDerWaalsContact O-SG 3.37Å; L14-C17 PolarHBondContact O-N 3.08Å; C17-A20 PolarHBondContact O-N 3.31Å; C17-A21 WeakPolarHBondContact O-CB 3.43Å; C17-A21 PolarHBondContact O-N 3.29Å |
| 18 | A | 72 | Confident | 80 | Confident | 63 Ų | 63 | 80.8 Ų | 80.8 | 52% | 0.521 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.8 | -41 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L14 T15 A22 | L14-A18 WeakPolarHBondContact O-CB 3.47Å; L14-A18 PolarHBondContact O-N 3.41Å; T15-A18 PolarHBondContact O-N 2.69Å; A18-A22 WeakPolarHBondContact O-CB 3.35Å; A18-A22 PolarHBondContact O-N 2.86Å |
| 19 | A | 67.9 | Low | 80.5 | Confident | 64 Ų | 64 | 76.2 Ų | 76.2 | 53% | 0.529 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -65 | -42.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | T15 L16 A22 G23 | T15-A19 WeakPolarHBondContact O-CB 3.18Å; T15-A19 PolarHBondContact O-N 2.87Å; L16-A19 PolarHBondContact O-N 2.81Å; A19-A22 PolarHBondContact O-N 3.1Å; A19-G23 PolarHBondContact O-N 2.97Å |
| 20 | A | 66.6 | Low | 80.7 | Confident | 67 Ų | 67 | 75.9 Ų | 75.9 | 55% | 0.554 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -63.3 | -44.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L16 C17 A22 G23 D24 | L16-A20 WeakPolarHBondContact O-CB 3.27Å; L16-A20 PolarHBondContact O-N 3.47Å; C17-A20 PolarHBondContact O-N 3.31Å; A20-A22 VanDerWaalsContact C-N 3.34Å; A20-A22 PolarHBondContact O-N 2.78Å; A20-G23 PolarHBondContact O-N 3.09Å; A20-G23 VanDerWaalsContact O-N 3.15Å; A20-D24 PolarHBondContact O-N 3.35Å |
| 21 | A | 71.4 | Confident | 81.1 | Confident | 57 Ų | 57 | 71.7 Ų | 71.7 | 47% | 0.471 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -66.2 | -34.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | C17 G23 V25 | C17-A21 WeakPolarHBondContact O-CB 3.43Å; C17-A21 PolarHBondContact O-N 3.29Å; A21-G23 VanDerWaalsContact C-N 3.33Å; A21-V25 WeakPolarHBondContact O-CG2 3.38Å; A21-V25 PolarHBondContact O-N 2.77Å |
| 22 | A | 71.7 | Confident | 81.7 | Confident | 56 Ų | 56 | 69.4 Ų | 69.4 | 46% | 0.463 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -66.3 | -35.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112 | A18 A19 A20 Q26 | A18-A22 WeakPolarHBondContact O-CB 3.35Å; A18-A22 PolarHBondContact O-N 2.86Å; A19-A22 PolarHBondContact O-N 3.1Å; A20-A22 VanDerWaalsContact C-N 3.34Å; A20-A22 PolarHBondContact O-N 2.78Å; A22-Q26 VanDerWaalsContact O-CG 3.31Å; A22-Q26 WeakPolarHBondContact O-CG 3.38Å; A22-Q26 PolarHBondContact O-N 3.3Å |
| 23 | G | 78.1 | Confident | 82.1 | Confident | 39 Ų | 39 | 67 Ų | 67 | 40% | 0.402 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -61.2 | -54.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | A19 A20 A21 V25 Q26 D27 | A19-G23 PolarHBondContact O-N 2.97Å; A20-G23 PolarHBondContact O-N 3.09Å; A20-G23 VanDerWaalsContact O-N 3.15Å; A21-G23 VanDerWaalsContact C-N 3.33Å; G23-V25 VanDerWaalsContact C-N 3.29Å; G23-V25 PolarHBondContact O-N 2.83Å; G23-Q26 PolarHBondContact O-N 3.32Å; G23-D27 PolarHBondContact O-N 2.99Å |
| 24 | D | 81.1 | Confident | 82.4 | Confident | 76 Ų | 76 | 61.4 Ų | 61.4 | 41% | 0.406 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -50.4 | -46.6 | 176.5 | 176.1 | 74.1 | 0 | 0 | 0 | 112.2 | A20 Q26 D27 F28 R101 | A20-D24 PolarHBondContact O-N 3.35Å; D24-Q26 PolarHBondContact O-N 2.84Å; D24-D27 PolarHBondContact O-N 3.47Å; D24-F28 WeakPolarHBondContact O-CB 3.46Å; D24-F28 PolarHBondContact O-N 3.38Å; D24-R101 VanDerWaalsContact CG-NH2 3.27Å; D24-R101 IonicContact OD1-NH2 3.12Å; D24-R101 PolarHBondContact OD1-NH2 3.44Å; D24-R101 IonicContact OD2-CZ 2.62Å; D24-R101 IonicContact OD2-NH1 2.67Å; D24-R101 PolarHBondContact OD2-NH1 3.48Å; D24-R101 IonicContact OD2-NH2 2.77Å; D24-R101 PolarHBondContact OD2-NH2 3.19Å |
| 25 | V | 86.4 | Confident | 83 | Confident | 45 Ų | 45 | 55.8 Ų | 55.8 | 27% | 0.273 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -68 | -32 | -179.7 | 170.7 | 0 | 0 | 0 | 0 | 113.1 | A21 G23 K29 L89 | A21-V25 WeakPolarHBondContact O-CG2 3.38Å; A21-V25 PolarHBondContact O-N 2.77Å; G23-V25 VanDerWaalsContact C-N 3.29Å; G23-V25 PolarHBondContact O-N 2.83Å; V25-K29 WeakPolarHBondContact O-CD 3.24Å; V25-K29 VanDerWaalsContact O-CG 3.24Å; V25-K29 WeakPolarHBondContact O-CG 3.35Å; V25-K29 PolarHBondContact O-N 2.85Å; V25-L89 HydrophobicContact CG1-CD1 4.37Å; V25-L89 HydrophobicContact CG1-CD2 4.24Å; V25-L89 HydrophobicContact CG2-CD2 4.27Å |
| 26 | Q | 87.6 | Confident | 83.8 | Confident | 126 Ų | 126 | 54.8 Ų | 54.8 | 59% | 0.589 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -79.9 | -37.5 | 177.2 | -66.3 | -69.6 | 20.3 | 0 | 0 | 112.3 | A22 G23 D24 K29 R30 | A22-Q26 VanDerWaalsContact O-CG 3.31Å; A22-Q26 WeakPolarHBondContact O-CG 3.38Å; A22-Q26 PolarHBondContact O-N 3.3Å; G23-Q26 PolarHBondContact O-N 3.32Å; D24-Q26 PolarHBondContact O-N 2.84Å; Q26-K29 WeakPolarHBondContact O-CB 3.24Å; Q26-K29 PolarHBondContact O-N 3.49Å; Q26-R30 PolarHBondContact O-N 3.46Å |
| 27 | D | 88.9 | Confident | 84.6 | Confident | 54 Ų | 54 | 56.5 Ų | 56.5 | 29% | 0.289 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -68.4 | -43.2 | 176.6 | -171.1 | 69.8 | 0 | 0 | 0 | 111.6 | G23 D24 K29 R30 K31 | G23-D27 PolarHBondContact O-N 2.99Å; D24-D27 PolarHBondContact O-N 3.47Å; D27-K29 PolarHBondContact O-N 2.85Å; D27-R30 WeakPolarHBondContact O-CA 3.31Å; D27-R30 WeakPolarHBondContact O-CB 3.32Å; D27-R30 PolarHBondContact O-N 3.49Å; D27-K31 PolarHBondContact O-N 3.45Å; D27-K31 VanDerWaalsContact OD2-CE 3.28Å; D27-K31 WeakPolarHBondContact OD2-CE 3.38Å; D27-K31 IonicContact OD2-NZ 3.65Å; D27-K31 PolarHBondContact OD2-NZ 2.79Å |
| 28 | F | 91.2 | Very high | 85.5 | Confident | 6 Ų | 6 | 59.9 Ų | 59.9 | 3% | 0.026 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -54.7 | -40.5 | 169.8 | 175.6 | -95.1 | 0 | 0 | 0 | 112 | D24 K31 A32 F46 V54 F56 L89 L97 L99 | D24-F28 WeakPolarHBondContact O-CB 3.46Å; D24-F28 PolarHBondContact O-N 3.38Å; F28-K31 PolarHBondContact O-N 2.88Å; F28-A32 HydrophobicContact CE1-CB 4.26Å; F28-A32 HydrophobicContact CZ-CB 4.42Å; F28-A32 VanDerWaalsContact O-CB 3.23Å; F28-A32 WeakPolarHBondContact O-CB 3.3Å; F28-A32 PolarHBondContact O-N 2.91Å; F28-F46 HydrophobicContact CD2-CE1 4.35Å; F28-F46 AromaticContact CD2-CZ 3.95Å; F28-F46 HydrophobicContact CD2-CZ 3.95Å; F28-F46 AromaticContact CE2-CE1 3.91Å; F28-F46 HydrophobicContact CE2-CE1 3.91Å; F28-F46 AromaticContact CE2-CZ 3.96Å; F28-F46 HydrophobicContact CE2-CZ 3.96Å; F28-V54 HydrophobicContact CD2-CG1 4.43Å; F28-V54 HydrophobicContact CE2-CG1 3.73Å; F28-F56 HydrophobicContact CE2-CD1 4.37Å; F28-F56 HydrophobicContact CZ-CB 4.1Å; F28-F56 AromaticContact CZ-CD1 3.99Å; F28-F56 HydrophobicContact CZ-CD1 3.99Å; F28-F56 HydrophobicContact CZ-CG 4.02Å; F28-L89 HydrophobicContact CD1-CD1 3.58Å; F28-L89 HydrophobicContact CE1-CD1 3.91Å; F28-L97 HydrophobicContact CE1-CD1 4.35Å; F28-L99 HydrophobicContact CD1-CD2 4.15Å; F28-L99 HydrophobicContact CE1-CD2 3.61Å; F28-L99 HydrophobicContact CE2-CD2 4.32Å; F28-L99 HydrophobicContact CZ-CB 4.12Å; F28-L99 HydrophobicContact CZ-CD2 3.71Å; F28-L99 HydrophobicContact CZ-CG 4.49Å |
| 29 | K | 91.1 | Very high | 86.5 | Confident | 63 Ų | 63 | 58 Ų | 58 | 27% | 0.274 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -65.7 | -36.5 | 175.8 | -78.7 | 172.2 | 173.1 | -166.9 | 0 | 113 | V25 Q26 D27 S33 R90 | V25-K29 WeakPolarHBondContact O-CD 3.24Å; V25-K29 VanDerWaalsContact O-CG 3.24Å; V25-K29 WeakPolarHBondContact O-CG 3.35Å; V25-K29 PolarHBondContact O-N 2.85Å; Q26-K29 WeakPolarHBondContact O-CB 3.24Å; Q26-K29 PolarHBondContact O-N 3.49Å; D27-K29 PolarHBondContact O-N 2.85Å; K29-S33 PolarHBondContact O-N 3.49Å; K29-S33 PolarHBondContact O-OG 3.01Å; K29-R90 WeakPolarHBondContact CE-O 3.3Å; K29-R90 PolarHBondContact NZ-O 2.85Å |
| 30 | R | 91.1 | Very high | 87.6 | Confident | 102 Ų | 102 | 60.1 Ų | 60.1 | 39% | 0.385 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -66.6 | -42.5 | 174.9 | -165.6 | -179.9 | -171.9 | -159.8 | -1.9 | 111.3 | Q26 D27 S33 I34 A223 W224 | Q26-R30 PolarHBondContact O-N 3.46Å; D27-R30 WeakPolarHBondContact O-CA 3.31Å; D27-R30 WeakPolarHBondContact O-CB 3.32Å; D27-R30 PolarHBondContact O-N 3.49Å; R30-S33 PolarHBondContact O-OG 3.31Å; R30-S33 VanDerWaalsContact O-OG 3.13Å; R30-I34 WeakPolarHBondContact O-CG1 3.45Å; R30-I34 PolarHBondContact O-N 3.26Å; R30-A223 HydrophobicContact CG-CB 4.47Å; R30-W224 PolarHBondContact NH2-O 3.42Å |
| 31 | K | 93.5 | Very high | 88.8 | Confident | 8 Ų | 8 | 63.5 Ų | 63.5 | 4% | 0.035 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -65.1 | -43.7 | 173.4 | -75.3 | 168.6 | 172.4 | 152.3 | 0 | 111.8 | D27 F28 S33 I34 L35 F46 E48 L134 D136 | D27-K31 PolarHBondContact O-N 3.45Å; D27-K31 VanDerWaalsContact OD2-CE 3.28Å; D27-K31 WeakPolarHBondContact OD2-CE 3.38Å; D27-K31 IonicContact OD2-NZ 3.65Å; D27-K31 PolarHBondContact OD2-NZ 2.79Å; F28-K31 PolarHBondContact O-N 2.88Å; K31-S33 PolarHBondContact O-N 2.9Å; K31-I34 PolarHBondContact O-N 2.91Å; K31-L35 PolarHBondContact O-N 3.47Å; K31-F46 HydrophobicContact CB-CE2 4.38Å; K31-F46 HydrophobicContact CB-CZ 4.11Å; K31-F46 HydrophobicContact CD-CE2 3.99Å; K31-F46 HydrophobicContact CD-CZ 4.37Å; K31-E48 VanDerWaalsContact CD-OE1 3.24Å; K31-E48 WeakPolarHBondContact CD-OE1 3.46Å; K31-E48 WeakPolarHBondContact CE-OE1 3.44Å; K31-E48 IonicContact NZ-OE1 3.72Å; K31-E48 PolarHBondContact NZ-OE1 2.97Å; K31-E48 IonicContact NZ-OE2 3.55Å; K31-E48 PolarHBondContact NZ-OE2 3.37Å; K31-L134 HydrophobicContact CB-CD2 3.67Å; K31-L134 HydrophobicContact CB-CG 4.48Å; K31-L134 HydrophobicContact CG-CD2 3.89Å; K31-L134 HydrophobicContact CG-CG 4.17Å; K31-D136 WeakPolarHBondContact CE-OD1 3.49Å; K31-D136 IonicContact NZ-OD1 2.64Å; K31-D136 PolarHBondContact NZ-OD1 2.93Å |
| 32 | A | 93.7 | Very high | 89.9 | Confident | 1 Ų | 1 | 63.3 Ų | 63.3 | 1% | 0.008 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.9 | -39.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | F28 I34 L35 L36 F56 | F28-A32 HydrophobicContact CE1-CB 4.26Å; F28-A32 HydrophobicContact CZ-CB 4.42Å; F28-A32 VanDerWaalsContact O-CB 3.23Å; F28-A32 WeakPolarHBondContact O-CB 3.3Å; F28-A32 PolarHBondContact O-N 2.91Å; A32-I34 VanDerWaalsContact C-N 3.31Å; A32-I34 PolarHBondContact O-N 3.47Å; A32-L35 PolarHBondContact O-N 3.09Å; A32-L36 WeakPolarHBondContact O-CB 3.28Å; A32-L36 VanDerWaalsContact O-CG 3.27Å; A32-L36 WeakPolarHBondContact O-CG 3.37Å; A32-L36 PolarHBondContact O-N 3.32Å; A32-F56 HydrophobicContact CB-CE1 4.1Å; A32-F56 HydrophobicContact CB-CE2 3.9Å; A32-F56 HydrophobicContact CB-CZ 3.62Å |
| 33 | S | 93.4 | Very high | 91 | Very high | 53 Ų | 53 | 60.7 Ų | 60.7 | 37% | 0.371 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -71.7 | -22 | 179.9 | 72.7 | 0 | 0 | 0 | 0 | 114.1 | K29 R30 K31 K37 | K29-S33 PolarHBondContact O-N 3.49Å; K29-S33 PolarHBondContact O-OG 3.01Å; R30-S33 PolarHBondContact O-OG 3.31Å; R30-S33 VanDerWaalsContact O-OG 3.13Å; K31-S33 PolarHBondContact O-N 2.9Å; S33-K37 WeakPolarHBondContact O-CG 3.45Å |
| 34 | I | 94 | Very high | 91.9 | Very high | 35 Ų | 35 | 59.3 Ų | 59.3 | 18% | 0.179 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -70.9 | -50.8 | 167.7 | -64.9 | 166.1 | 0 | 0 | 0 | 109.6 | R30 K31 A32 L36 K37 E38 A223 | R30-I34 WeakPolarHBondContact O-CG1 3.45Å; R30-I34 PolarHBondContact O-N 3.26Å; K31-I34 PolarHBondContact O-N 2.91Å; A32-I34 VanDerWaalsContact C-N 3.31Å; A32-I34 PolarHBondContact O-N 3.47Å; I34-L36 VanDerWaalsContact C-N 3.32Å; I34-L36 PolarHBondContact O-N 3.48Å; I34-K37 WeakPolarHBondContact O-CA 3.42Å; I34-K37 WeakPolarHBondContact O-CB 3.3Å; I34-K37 PolarHBondContact O-N 3.35Å; I34-E38 HydrophobicContact CG2-CG 4.4Å; I34-E38 PolarHBondContact O-N 3.26Å; I34-A223 HydrophobicContact CD1-CB 3.99Å |
| 35 | L | 95.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.5 | -29.3 | -178 | -66.3 | 169.3 | 0 | 0 | 0 | 113.4 | K31 A32 K37 E39 K44 F46 F56 L134 Y220 | K31-L35 PolarHBondContact O-N 3.47Å; A32-L35 PolarHBondContact O-N 3.09Å; L35-K37 PolarHBondContact O-N 2.86Å; L35-E39 WeakPolarHBondContact O-CB 3.32Å; L35-E39 PolarHBondContact O-N 2.95Å; L35-K44 HydrophobicContact CB-CB 4.48Å; L35-F46 HydrophobicContact CD1-CB 3.92Å; L35-F46 HydrophobicContact CD1-CD1 3.22Å; L35-F46 HydrophobicContact CD1-CE1 3.89Å; L35-F46 HydrophobicContact CD1-CG 3.78Å; L35-F56 HydrophobicContact CB-CE1 4.27Å; L35-F56 HydrophobicContact CB-CZ 4.05Å; L35-F56 HydrophobicContact CD1-CE1 3.89Å; L35-F56 HydrophobicContact CD1-CZ 4.48Å; L35-L134 HydrophobicContact CD1-CD2 3.67Å; L35-L134 HydrophobicContact CD2-CD2 4.22Å; L35-L134 HydrophobicContact CG-CD2 3.78Å; L35-Y220 HydrophobicContact CD2-CD1 3.79Å; L35-Y220 HydrophobicContact CD2-CD2 3.5Å; L35-Y220 VanDerWaalsContact CD2-CD2 3.5Å; L35-Y220 HydrophobicContact CD2-CE1 3.78Å; L35-Y220 HydrophobicContact CD2-CE2 3.47Å; L35-Y220 VanDerWaalsContact CD2-CE2 3.47Å; L35-Y220 HydrophobicContact CD2-CG 3.63Å |
| 36 | L | 94.1 | Very high | 93.1 | Very high | 64 Ų | 64 | 53.6 Ų | 53.6 | 34% | 0.335 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.4 | -19.3 | 169.8 | -75.1 | 164.9 | 0 | 0 | 0 | 113.1 | A32 I34 K44 F56 E58 | A32-L36 WeakPolarHBondContact O-CB 3.28Å; A32-L36 VanDerWaalsContact O-CG 3.27Å; A32-L36 WeakPolarHBondContact O-CG 3.37Å; A32-L36 PolarHBondContact O-N 3.32Å; I34-L36 VanDerWaalsContact C-N 3.32Å; I34-L36 PolarHBondContact O-N 3.48Å; L36-K44 HydrophobicContact CD2-CD 3.96Å; L36-K44 HydrophobicContact CG-CD 4.42Å; L36-F56 HydrophobicContact CD2-CE2 4.38Å; L36-F56 HydrophobicContact CG-CE2 4.21Å; L36-E58 HydrophobicContact CD2-CB 4.11Å |
| 37 | K | 93 | Very high | 93.4 | Very high | 154 Ų | 154 | 47.6 Ų | 47.6 | 67% | 0.67 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -98 | -39.3 | 177.2 | -65.4 | 173.1 | -177.1 | -180 | 0 | 112.4 | S33 I34 L35 | S33-K37 WeakPolarHBondContact O-CG 3.45Å; I34-K37 WeakPolarHBondContact O-CA 3.42Å; I34-K37 WeakPolarHBondContact O-CB 3.3Å; I34-K37 PolarHBondContact O-N 3.35Å; L35-K37 PolarHBondContact O-N 2.86Å |
| 38 | E | 92.6 | Very high | 93.5 | Very high | 124 Ų | 124 | 47.9 Ų | 47.9 | 58% | 0.579 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -92.8 | -32 | -174.2 | -65.6 | -62.5 | 155.8 | 0 | 0 | 115 | I34 P40 Y220 | I34-E38 HydrophobicContact CG2-CG 4.4Å; I34-E38 PolarHBondContact O-N 3.26Å; E38-P40 WeakPolarHBondContact O-CD 3.35Å; E38-Y220 HydrophobicContact CB-CD1 4.29Å |
| 39 | E | 93.3 | Very high | 93.4 | Very high | 23 Ų | 23 | 50.4 Ų | 50.4 | 11% | 0.107 | 25% | 0.249 | C | C | . | . | trans | -105.2 | 106.6 | -172.6 | 173.5 | 54.9 | -104.2 | 0 | 0 | 112.4 | L35 K41 K44 R125 Y220 | L35-E39 WeakPolarHBondContact O-CB 3.32Å; L35-E39 PolarHBondContact O-N 2.95Å; E39-K41 PolarHBondContact O-N 2.88Å; E39-K41 WeakPolarHBondContact OE1-CB 3.36Å; E39-K41 PolarHBondContact OE1-N 3.49Å; E39-K44 HydrophobicContact CB-CG 4.15Å; E39-K44 HydrophobicContact CG-CB 4.5Å; E39-K44 HydrophobicContact CG-CG 3.82Å; E39-K44 WeakPolarHBondContact O-CE 3.33Å; E39-K44 PolarHBondContact O-NZ 3.28Å; E39-R125 VanDerWaalsContact CD-NH1 3.25Å; E39-R125 VanDerWaalsContact CD-NH2 3.35Å; E39-R125 IonicContact OE1-NH1 3.5Å; E39-R125 PolarHBondContact OE1-NH1 3.19Å; E39-R125 IonicContact OE1-NH2 2.8Å; E39-R125 IonicContact OE2-CZ 3.45Å; E39-R125 IonicContact OE2-NH1 3.49Å; E39-R125 PolarHBondContact OE2-NH1 3.36Å; E39-R125 IonicContact OE2-NH2 2.91Å; E39-R125 PolarHBondContact OE2-NH2 2.94Å; E39-Y220 HydrophobicContact CB-CE1 4.12Å; E39-Y220 PolarHBondContact OE2-OH 3.33Å | ||
| 40 | P | 91.1 | Very high | 93.3 | Very high | 110 Ų | 110 | 50.2 Ų | 50.2 | 71% | 0.714 | 25% | 0.248 | S | C | * | . | trans | -76.5 | -16.8 | -176 | 30.6 | -37.3 | 0 | 0 | 0 | 115.2 | E38 | E38-P40 WeakPolarHBondContact O-CD 3.35Š| ||
| 41 | K | 92 | Very high | 93.2 | Very high | 137 Ų | 137 | 53 Ų | 53 | 60% | 0.596 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -94.2 | 150.1 | -177.9 | -63.1 | 175.7 | -179.3 | 174 | 0 | 111.7 | E39 K44 R125 | E39-K41 PolarHBondContact O-N 2.88Å; E39-K41 WeakPolarHBondContact OE1-CB 3.36Å; E39-K41 PolarHBondContact OE1-N 3.49Å; K41-K44 WeakPolarHBondContact O-CG 3.48Å; K41-K44 PolarHBondContact O-NZ 3.4Å; K41-R125 PolarHBondContact O-NH1 2.77Å |
| 42 | D | 94.1 | Very high | 93 | Very high | 54 Ų | 54 | 54.5 Ų | 54.5 | 29% | 0.289 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -116.6 | 145 | 174 | -72.8 | -68.2 | 0 | 0 | 0 | 112 | K44 | D42-K44 IonicContact OD1-NZ 2.72Å; D42-K44 PolarHBondContact OD1-NZ 3.29Å; D42-K44 IonicContact OD2-NZ 3.81Å; D42-K44 PolarHBondContact OD2-NZ 2.87Å |
| 43 | P | 95.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 27% | 0.272 | C | S | . | . | S | Bend | cis | -65.6 | 151.9 | -6.8 | 29.8 | -35.6 | 0 | 0 | 0 | 112.2 | C55 F56 F72 I113 V115 R125 | P43-C55 HydrophobicContact CB-CB 4.36Å; P43-F56 CarbonylContact C-O 3.57Å; P43-F56 WeakPolarHBondContact CA-O 3.38Å; P43-F56 WeakPolarHBondContact CB-O 3.34Å; P43-F72 HydrophobicContact CG-CE2 4.44Å; P43-I113 HydrophobicContact CG-CG2 3.86Å; P43-V115 HydrophobicContact CG-CG2 4.33Å; P43-R125 WeakPolarHBondContact O-CD 3.31Å; P43-R125 PolarHBondContact O-NH1 3.5Å |
| 44 | K | 96.9 | Very high | 93.2 | Very high | 11 Ų | 11 | 52.5 Ų | 52.5 | 5% | 0.048 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 131.2 | 170.3 | -74.4 | 153.1 | 179.6 | 52.8 | 0 | 107.7 | L35 L36 E39 K41 D42 C55 F56 | L35-K44 HydrophobicContact CB-CB 4.48Å; L36-K44 HydrophobicContact CD2-CD 3.96Å; L36-K44 HydrophobicContact CG-CD 4.42Å; E39-K44 HydrophobicContact CB-CG 4.15Å; E39-K44 HydrophobicContact CG-CB 4.5Å; E39-K44 HydrophobicContact CG-CG 3.82Å; E39-K44 WeakPolarHBondContact O-CE 3.33Å; E39-K44 PolarHBondContact O-NZ 3.28Å; K41-K44 WeakPolarHBondContact O-CG 3.48Å; K41-K44 PolarHBondContact O-NZ 3.4Å; D42-K44 IonicContact OD1-NZ 2.72Å; D42-K44 PolarHBondContact OD1-NZ 3.29Å; D42-K44 IonicContact OD2-NZ 3.81Å; D42-K44 PolarHBondContact OD2-NZ 2.87Å; K44-C55 CarbonylContact O-C 3.33Å; K44-C55 VanDerWaalsContact O-CA 3.32Å; K44-C55 WeakPolarHBondContact O-CA 3.45Å; K44-F56 HydrophobicContact CB-CD1 4.2Å; K44-F56 HydrophobicContact CB-CE1 3.72Å; K44-F56 HydrophobicContact CB-CE2 4.2Å; K44-F56 HydrophobicContact CB-CZ 3.72Å; K44-F56 HydrophobicContact CD-CE2 4.17Å; K44-F56 HydrophobicContact CD-CZ 4.12Å; K44-F56 PolarHBondContact N-O 3.49Å; K44-F56 WeakPolarHBondContact O-CD1 3.42Å; K44-F56 PolarHBondContact O-N 3.05Å |
| 45 | C | 96.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 148.6 | -174.5 | -53.4 | 0 | 0 | 0 | 0 | 111.9 | F53 V54 C55 L127 L132 | C45-F53 HydrophobicContact CB-CE1 4.01Å; C45-F53 HydrophobicContact CB-CE2 3.75Å; C45-F53 HydrophobicContact CB-CZ 3.32Å; C45-V54 CarbonylContact C-O 3.6Å; C45-V54 WeakPolarHBondContact CA-O 3.5Å; C45-C55 HydrophobicContact CB-CB 4.08Å; C45-C55 WeakPolarHBondContact CB-SG 3.5Å; C45-C55 WeakPolarHBondContact SG-CB 3.1Å; C45-C55 CovalentContact SG-SG 2.04Å; C45-C55 PolarHBondContact SG-SG 2.79Å; C45-L127 HydrophobicContact CB-CD2 4.21Å; C45-L132 HydrophobicContact CB-CD1 4.44Å |
| 46 | F | 96 | Very high | 93.4 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 162.9 | 176.4 | 66 | -80.6 | 0 | 0 | 0 | 112.9 | F28 K31 L35 E48 F53 V54 F56 L132 L134 | F28-F46 HydrophobicContact CD2-CE1 4.35Å; F28-F46 AromaticContact CD2-CZ 3.95Å; F28-F46 HydrophobicContact CD2-CZ 3.95Å; F28-F46 AromaticContact CE2-CE1 3.91Å; F28-F46 HydrophobicContact CE2-CE1 3.91Å; F28-F46 AromaticContact CE2-CZ 3.96Å; F28-F46 HydrophobicContact CE2-CZ 3.96Å; K31-F46 HydrophobicContact CB-CE2 4.38Å; K31-F46 HydrophobicContact CB-CZ 4.11Å; K31-F46 HydrophobicContact CD-CE2 3.99Å; K31-F46 HydrophobicContact CD-CZ 4.37Å; L35-F46 HydrophobicContact CD1-CB 3.92Å; L35-F46 HydrophobicContact CD1-CD1 3.22Å; L35-F46 HydrophobicContact CD1-CE1 3.89Å; L35-F46 HydrophobicContact CD1-CG 3.78Å; F46-E48 HydrophobicContact CD2-CG 4.05Å; F46-E48 HydrophobicContact CE2-CG 3.8Å; F46-E48 WeakPolarHBondContact CE2-OE1 3.31Å; F46-F53 WeakPolarHBondContact O-CD2 3.37Å; F46-V54 HydrophobicContact CE1-CB 4.11Å; F46-V54 HydrophobicContact CE1-CG1 4.48Å; F46-V54 HydrophobicContact CZ-CB 4.16Å; F46-V54 PolarHBondContact N-O 3.05Å; F46-V54 PolarHBondContact O-N 2.75Å; F46-F56 HydrophobicContact CD1-CE1 4.47Å; F46-F56 HydrophobicContact CE1-CD1 4.38Å; F46-F56 HydrophobicContact CE1-CE1 4.27Å; F46-L132 CarbonylContact C-O 3.53Å; F46-L132 WeakPolarHBondContact CA-O 3.4Å; F46-L134 HydrophobicContact CB-CB 3.81Å; F46-L134 HydrophobicContact CD2-CB 3.93Å; F46-L134 HydrophobicContact CD2-CD2 4.33Å; F46-L134 HydrophobicContact CG-CB 4.1Å; F46-L134 HydrophobicContact CG-CD2 4.3Å |
| 47 | A | 94.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.234 | C | C | . | . | B | Isolated β-bridge | trans | -121.9 | 143.1 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | D52 F53 I129 L132 F133 L134 | A47-D52 WeakPolarHBondContact CB-O 3.46Å; A47-F53 HydrophobicContact CB-CD2 4.22Å; A47-I129 HydrophobicContact CB-CG2 4.13Å; A47-L132 PolarHBondContact N-O 3.2Å; A47-F133 HydrophobicContact CB-CD1 4.09Å; A47-F133 HydrophobicContact CB-CE1 3.78Å; A47-F133 HydrophobicContact CB-CZ 4.26Å; A47-F133 CarbonylContact O-C 3.6Å; A47-F133 WeakPolarHBondContact O-CA 3.24Å; A47-F133 VanDerWaalsContact O-CD1 3.31Å; A47-F133 WeakPolarHBondContact O-CD1 3.36Å; A47-L134 PolarHBondContact O-N 3.08Å |
| 48 | E | 90.8 | Very high | 93.4 | Very high | 60 Ų | 60 | 43 Ų | 43 | 28% | 0.28 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -99.2 | -33.5 | 173.1 | -51.5 | -170.7 | -178.4 | 0 | 0 | 111 | K31 F46 D52 | K31-E48 VanDerWaalsContact CD-OE1 3.24Å; K31-E48 WeakPolarHBondContact CD-OE1 3.46Å; K31-E48 WeakPolarHBondContact CE-OE1 3.44Å; K31-E48 IonicContact NZ-OE1 3.72Å; K31-E48 PolarHBondContact NZ-OE1 2.97Å; K31-E48 IonicContact NZ-OE2 3.55Å; K31-E48 PolarHBondContact NZ-OE2 3.37Å; F46-E48 HydrophobicContact CD2-CG 4.05Å; F46-E48 HydrophobicContact CE2-CG 3.8Å; F46-E48 WeakPolarHBondContact CE2-OE1 3.31Å; E48-D52 WeakPolarHBondContact CB-OD2 3.24Å; E48-D52 PolarHBondContact N-OD2 2.83Å |
| 49 | T | 89.1 | Confident | 93.4 | Very high | 60 Ų | 60 | 38.4 Ų | 38.4 | 37% | 0.368 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -135.3 | -179.4 | 177.2 | 88.9 | 0 | 0 | 0 | 0 | 111.6 | K51 D52 | T49-K51 PolarHBondContact O-N 2.81Å; T49-K51 PolarHBondContact OG1-N 2.94Å; T49-D52 VanDerWaalsContact CA-OD1 3.3Å; T49-D52 WeakPolarHBondContact CA-OD1 3.27Å; T49-D52 WeakPolarHBondContact CB-OD1 3.46Å; T49-D52 PolarHBondContact N-OD1 3.46Å; T49-D52 PolarHBondContact N-OD2 3.37Å; T49-D52 PolarHBondContact OG1-OD1 3.44Å |
| 50 | K | 88.4 | Confident | 93.3 | Very high | 58 Ų | 58 | 39.8 Ų | 39.8 | 25% | 0.252 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -77.5 | 23.6 | 179.8 | -52 | -164.8 | 170.2 | 177.6 | 0 | 114.6 | M107 K162 Y163 M164 Y217 | K50-M107 HydrophobicContact CB-CE 3.7Å; K50-M107 HydrophobicContact CB-SD 4.21Å; K50-M107 HydrophobicContact CD-CE 4.49Å; K50-M107 HydrophobicContact CD-SD 4.41Å; K50-M107 HydrophobicContact CG-CE 3.88Å; K50-M107 HydrophobicContact CG-SD 4.39Å; K50-K162 WeakPolarHBondContact CE-O 3.48Å; K50-K162 PolarHBondContact NZ-O 2.88Å; K50-Y163 PolarHBondContact NZ-O 2.94Å; K50-Y163 VanDerWaalsContact NZ-O 3.14Å; K50-M164 HydrophobicContact CD-CE 4.41Å; K50-M164 HydrophobicContact CD-SD 4.48Å; K50-M164 WeakPolarHBondContact CE-SD 3.39Å; K50-M164 HydrophobicContact CG-CE 4.32Å; K50-M164 HydrophobicContact CG-SD 4.49Å; K50-Y217 PolarHBondContact NZ-OH 3.01Å |
| 51 | K | 88.4 | Confident | 93.1 | Very high | 161 Ų | 161 | 37.4 Ų | 37.4 | 70% | 0.7 | 18% | 0.178 | S | C | * | . | S | Bend | trans | -143 | -29.3 | -170.2 | -68.6 | -171.1 | 178.9 | -177.5 | 0 | 115.4 | T49 V105 | T49-K51 PolarHBondContact O-N 2.81Å; T49-K51 PolarHBondContact OG1-N 2.94Å; K51-V105 VanDerWaalsContact C-CG2 3.49Å; K51-V105 WeakPolarHBondContact O-CG2 3.39Å |
| 52 | D | 90.8 | Very high | 92.7 | Very high | 40 Ų | 40 | 40.2 Ų | 40.2 | 21% | 0.214 | 19% | 0.194 | C | C | . | . | trans | -99.6 | 151.6 | 176.7 | 56.7 | -72.6 | 0 | 0 | 0 | 110.3 | A47 E48 T49 | A47-D52 WeakPolarHBondContact CB-O 3.46Å; E48-D52 WeakPolarHBondContact CB-OD2 3.24Å; E48-D52 PolarHBondContact N-OD2 2.83Å; T49-D52 VanDerWaalsContact CA-OD1 3.3Å; T49-D52 WeakPolarHBondContact CA-OD1 3.27Å; T49-D52 WeakPolarHBondContact CB-OD1 3.46Å; T49-D52 PolarHBondContact N-OD1 3.46Å; T49-D52 PolarHBondContact N-OD2 3.37Å; T49-D52 PolarHBondContact OG1-OD1 3.44Å | ||
| 53 | F | 95.1 | Very high | 92.3 | Very high | 1 Ų | 1 | 45.5 Ų | 45.5 | 0% | 0.004 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 131.1 | 165.3 | -176.5 | -119 | 0 | 0 | 0 | 108.1 | C45 F46 A47 C55 L102 V105 L111 I113 L127 I129 L132 | C45-F53 HydrophobicContact CB-CE1 4.01Å; C45-F53 HydrophobicContact CB-CE2 3.75Å; C45-F53 HydrophobicContact CB-CZ 3.32Å; F46-F53 WeakPolarHBondContact O-CD2 3.37Å; A47-F53 HydrophobicContact CB-CD2 4.22Å; F53-C55 WeakPolarHBondContact CE1-SG 3.21Å; F53-L102 HydrophobicContact CB-CB 4.42Å; F53-L102 HydrophobicContact CD1-CD1 4.17Å; F53-L102 HydrophobicContact CD1-CD2 4.42Å; F53-L102 PolarHBondContact N-O 2.93Å; F53-L102 PolarHBondContact O-N 2.95Å; F53-V105 HydrophobicContact CB-CG1 3.49Å; F53-V105 VanDerWaalsContact CB-CG1 3.49Å; F53-L111 HydrophobicContact CD1-CD2 3.9Å; F53-L111 HydrophobicContact CE1-CD2 3.61Å; F53-I113 HydrophobicContact CE1-CD1 3.93Å; F53-L127 HydrophobicContact CE1-CD1 4.04Å; F53-L127 HydrophobicContact CE1-CD2 4.46Å; F53-L127 HydrophobicContact CE2-CD1 4.41Å; F53-L127 HydrophobicContact CZ-CD1 3.53Å; F53-L127 HydrophobicContact CZ-CD2 3.87Å; F53-L127 HydrophobicContact CZ-CG 4.38Å; F53-I129 HydrophobicContact CB-CD1 4.3Å; F53-I129 HydrophobicContact CB-CG2 4.5Å; F53-I129 HydrophobicContact CD1-CD1 4.13Å; F53-I129 HydrophobicContact CD1-CG1 4.32Å; F53-I129 HydrophobicContact CD2-CB 4.46Å; F53-I129 HydrophobicContact CD2-CD1 4.46Å; F53-I129 HydrophobicContact CD2-CG1 4.17Å; F53-I129 HydrophobicContact CD2-CG2 3.79Å; F53-I129 HydrophobicContact CE1-CG1 4.32Å; F53-I129 HydrophobicContact CE2-CG1 4.16Å; F53-I129 HydrophobicContact CE2-CG2 4.23Å; F53-I129 HydrophobicContact CG-CD1 4.08Å; F53-I129 HydrophobicContact CG-CG1 4.24Å; F53-I129 HydrophobicContact CG-CG2 4.29Å; F53-I129 HydrophobicContact CZ-CG1 4.22Å; F53-L132 HydrophobicContact CE2-CB 4.44Å; F53-L132 HydrophobicContact CE2-CD1 4.02Å; F53-L132 HydrophobicContact CZ-CD1 4.08Å |
| 54 | V | 96.1 | Very high | 91.5 | Very high | 11 Ų | 11 | 45.9 Ų | 45.9 | 7% | 0.067 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 124.5 | -174.8 | -166.6 | 0 | 0 | 0 | 0 | 109 | F28 C45 F46 L99 C100 R101 | F28-V54 HydrophobicContact CD2-CG1 4.43Å; F28-V54 HydrophobicContact CE2-CG1 3.73Å; C45-V54 CarbonylContact C-O 3.6Å; C45-V54 WeakPolarHBondContact CA-O 3.5Å; F46-V54 HydrophobicContact CE1-CB 4.11Å; F46-V54 HydrophobicContact CE1-CG1 4.48Å; F46-V54 HydrophobicContact CZ-CB 4.16Å; F46-V54 PolarHBondContact N-O 3.05Å; F46-V54 PolarHBondContact O-N 2.75Å; V54-L99 HydrophobicContact CG1-CD1 4.38Å; V54-C100 WeakPolarHBondContact CA-O 3.5Å; V54-R101 HydrophobicContact CG1-CG 3.95Å; V54-R101 HydrophobicContact CG2-CG 4.04Å |
| 55 | C | 96.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 139.3 | 174 | -75 | 0 | 0 | 0 | 0 | 110.2 | P43 K44 C45 F53 F72 L99 C100 I113 | P43-C55 HydrophobicContact CB-CB 4.36Å; K44-C55 CarbonylContact O-C 3.33Å; K44-C55 VanDerWaalsContact O-CA 3.32Å; K44-C55 WeakPolarHBondContact O-CA 3.45Å; C45-C55 HydrophobicContact CB-CB 4.08Å; C45-C55 WeakPolarHBondContact CB-SG 3.5Å; C45-C55 WeakPolarHBondContact SG-CB 3.1Å; C45-C55 CovalentContact SG-SG 2.04Å; C45-C55 PolarHBondContact SG-SG 2.79Å; F53-C55 WeakPolarHBondContact CE1-SG 3.21Å; C55-F72 HydrophobicContact CB-CE2 3.75Å; C55-F72 HydrophobicContact CB-CZ 3.63Å; C55-L99 CarbonylContact O-C 3.11Å; C55-L99 VanDerWaalsContact O-CA 3.3Å; C55-L99 WeakPolarHBondContact O-CA 3.48Å; C55-C100 PolarHBondContact N-O 3.26Å; C55-C100 PolarHBondContact O-N 3.4Å; C55-I113 WeakPolarHBondContact SG-CD1 3.33Å |
| 56 | F | 96.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 165.7 | 176.8 | 74.5 | -84.3 | 0 | 0 | 0 | 112.4 | F28 A32 L35 L36 P43 K44 F46 L97 F98 L99 | F28-F56 HydrophobicContact CE2-CD1 4.37Å; F28-F56 HydrophobicContact CZ-CB 4.1Å; F28-F56 AromaticContact CZ-CD1 3.99Å; F28-F56 HydrophobicContact CZ-CD1 3.99Å; F28-F56 HydrophobicContact CZ-CG 4.02Å; A32-F56 HydrophobicContact CB-CE1 4.1Å; A32-F56 HydrophobicContact CB-CE2 3.9Å; A32-F56 HydrophobicContact CB-CZ 3.62Å; L35-F56 HydrophobicContact CB-CE1 4.27Å; L35-F56 HydrophobicContact CB-CZ 4.05Å; L35-F56 HydrophobicContact CD1-CE1 3.89Å; L35-F56 HydrophobicContact CD1-CZ 4.48Å; L36-F56 HydrophobicContact CD2-CE2 4.38Å; L36-F56 HydrophobicContact CG-CE2 4.21Å; P43-F56 CarbonylContact C-O 3.57Å; P43-F56 WeakPolarHBondContact CA-O 3.38Å; P43-F56 WeakPolarHBondContact CB-O 3.34Å; K44-F56 HydrophobicContact CB-CD1 4.2Å; K44-F56 HydrophobicContact CB-CE1 3.72Å; K44-F56 HydrophobicContact CB-CE2 4.2Å; K44-F56 HydrophobicContact CB-CZ 3.72Å; K44-F56 HydrophobicContact CD-CE2 4.17Å; K44-F56 HydrophobicContact CD-CZ 4.12Å; K44-F56 PolarHBondContact N-O 3.49Å; K44-F56 WeakPolarHBondContact O-CD1 3.42Å; K44-F56 PolarHBondContact O-N 3.05Å; F46-F56 HydrophobicContact CD1-CE1 4.47Å; F46-F56 HydrophobicContact CE1-CD1 4.38Å; F46-F56 HydrophobicContact CE1-CE1 4.27Å; F56-L97 HydrophobicContact CD2-CD2 3.8Å; F56-L97 HydrophobicContact CE2-CD2 4.02Å; F56-F98 CarbonylContact C-O 3.46Å; F56-F98 WeakPolarHBondContact CA-O 3.27Å; F56-F98 VanDerWaalsContact CB-O 3.29Å; F56-F98 WeakPolarHBondContact CB-O 3.46Å; F56-L99 HydrophobicContact CB-CB 3.77Å |
| 57 | W | 95.2 | Very high | 90.1 | Very high | 4 Ų | 4 | 52.1 Ų | 52.1 | 2% | 0.015 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 163.6 | 163.8 | 68.4 | 98.5 | 0 | 0 | 0 | 109.5 | Y70 F72 L86 L97 F98 V115 H123 | W57-Y70 AromaticContact CZ2-CD1 3.72Å; W57-Y70 HydrophobicContact CZ2-CD1 3.72Å; W57-Y70 HydrophobicContact CZ2-CE1 4.33Å; W57-Y70 HydrophobicContact CZ2-CG 4.33Å; W57-F72 AromaticContact CZ3-CD2 3.95Å; W57-F72 HydrophobicContact CZ3-CD2 3.95Å; W57-L86 HydrophobicContact CH2-CD1 3.81Å; W57-L86 HydrophobicContact CH2-CD2 3.62Å; W57-L86 HydrophobicContact CH2-CG 4.39Å; W57-L86 HydrophobicContact CZ3-CD2 3.8Å; W57-L97 WeakPolarHBondContact O-CA 3.4Å; W57-F98 HydrophobicContact CD2-CB 3.9Å; W57-F98 AromaticContact CE2-CD2 3.99Å; W57-F98 AromaticContact CE2-CG 3.89Å; W57-F98 HydrophobicContact CE3-CB 4.05Å; W57-F98 HydrophobicContact CH2-CB 3.53Å; W57-F98 HydrophobicContact CH2-CG 4.24Å; W57-F98 HydrophobicContact CZ2-CB 3.34Å; W57-F98 HydrophobicContact CZ2-CD1 4.13Å; W57-F98 HydrophobicContact CZ2-CD2 4.14Å; W57-F98 AromaticContact CZ2-CG 3.64Å; W57-F98 HydrophobicContact CZ2-CG 3.64Å; W57-F98 HydrophobicContact CZ3-CB 3.87Å; W57-F98 PolarHBondContact N-O 2.76Å; W57-F98 AromaticContact NE1-CD2 3.74Å; W57-F98 PolarHBondContact O-N 2.86Å; W57-F98 VanDerWaalsContact O-N 3.08Å; W57-V115 HydrophobicContact CE3-CG1 4.38Å; W57-V115 HydrophobicContact CE3-CG2 4.3Å; W57-V115 HydrophobicContact CH2-CG1 3.52Å; W57-V115 HydrophobicContact CZ2-CG1 3.67Å; W57-V115 HydrophobicContact CZ3-CG1 3.92Å; W57-V115 HydrophobicContact CZ3-CG2 4.11Å; W57-H123 AromaticContact CD1-NE2 3.72Å; W57-H123 AromaticContact CG-NE2 3.79Å |
| 58 | E | 93.4 | Very high | 89.8 | Confident | 49 Ų | 49 | 59 Ų | 59 | 23% | 0.229 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 134.4 | -179.1 | -166.5 | 176.4 | -120 | 0 | 0 | 110.4 | L36 S91 K95 L97 | L36-E58 HydrophobicContact CD2-CB 4.11Å; E58-S91 PolarHBondContact OE1-OG 3.35Å; E58-K95 HydrophobicContact CG-CB 3.96Å; E58-K95 HydrophobicContact CG-CD 3.74Å; E58-K95 WeakPolarHBondContact OE2-CD 3.31Å; E58-K95 IonicContact OE2-NZ 2.69Å; E58-K95 PolarHBondContact OE2-NZ 3.01Å; E58-L97 HydrophobicContact CB-CD2 3.74Å; E58-L97 HydrophobicContact CG-CD2 3.81Å |
| 59 | E | 92.1 | Very high | 89.8 | Confident | 27 Ų | 27 | 59 Ų | 59 | 13% | 0.126 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 143 | 174.4 | -168.9 | 175.3 | 174.6 | 0 | 0 | 110.6 | R63 A64 Y70 R96 F98 R117 | E59-R63 HydrophobicContact CG-CB 4.13Å; E59-R63 VanDerWaalsContact OE1-C 3.31Å; E59-R63 WeakPolarHBondContact OE1-CB 3.39Å; E59-A64 HydrophobicContact CB-CB 4.39Å; E59-A64 HydrophobicContact CG-CB 4.31Å; E59-Y70 WeakPolarHBondContact OE2-CE1 3.28Å; E59-Y70 PolarHBondContact OE2-OH 2.97Å; E59-R96 PolarHBondContact N-O 3.35Å; E59-R96 PolarHBondContact O-N 3.19Å; E59-F98 HydrophobicContact CB-CE2 4.2Å; E59-R117 IonicContact OE1-CZ 2.77Å; E59-R117 IonicContact OE1-NH1 3.53Å; E59-R117 PolarHBondContact OE1-NH1 3.35Å; E59-R117 IonicContact OE2-NH1 2.65Å |
| 60 | D | 90.6 | Very high | 90.1 | Very high | 52 Ų | 52 | 56.9 Ų | 56.9 | 28% | 0.278 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 138.5 | 179.8 | -51 | -56.5 | 0 | 0 | 0 | 111.2 | E62 R63 A64 | D60-E62 PolarHBondContact O-N 2.87Å; D60-E62 VanDerWaalsContact O-N 3.1Å; D60-R63 HydrophobicContact CB-CG 4.39Å; D60-R63 PolarHBondContact O-N 2.84Å; D60-R63 IonicContact OD2-CZ 2.69Å; D60-R63 IonicContact OD2-NE 3.12Å; D60-R63 IonicContact OD2-NH1 3.46Å; D60-R63 PolarHBondContact OD2-NH1 2.96Å; D60-R63 IonicContact OD2-NH2 2.75Å; D60-A64 WeakPolarHBondContact O-CB 3.42Å; D60-A64 PolarHBondContact O-N 3.02Å |
| 61 | E | 86.6 | Confident | 90.4 | Very high | 60 Ų | 60 | 56 Ų | 56 | 28% | 0.28 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -23.1 | -173.1 | 178.6 | 140.1 | -135.4 | 0 | 0 | 113.3 | R90 G94 R96 | E61-R90 IonicContact OE1-NE 2.75Å; E61-R90 PolarHBondContact OE1-NE 3.17Å; E61-R90 IonicContact OE1-NH2 3.29Å; E61-R90 IonicContact OE2-NE 3.14Å; E61-G94 WeakPolarHBondContact CB-O 3.3Å; E61-G94 PolarHBondContact N-O 2.9Å; E61-R96 HydrophobicContact CB-CG 4.27Å; E61-R96 HydrophobicContact CG-CG 4.42Å; E61-R96 IonicContact OE1-CZ 2.65Å; E61-R96 VanDerWaalsContact OE1-CZ 3.23Å; E61-R96 IonicContact OE1-NE 3.88Å; E61-R96 PolarHBondContact OE1-NE 3.04Å; E61-R96 IonicContact OE1-NH2 3.27Å; E61-R96 PolarHBondContact OE1-NH2 3.05Å |
| 62 | E | 84.3 | Confident | 90.8 | Very high | 197 Ų | 197 | 48.3 Ų | 48.3 | 92% | 0.921 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -26.3 | 172.6 | -59.4 | -175.6 | 163.2 | 0 | 0 | 113.8 | D60 | D60-E62 PolarHBondContact O-N 2.87Å; D60-E62 VanDerWaalsContact O-N 3.1Å |
| 63 | R | 84.8 | Confident | 91 | Very high | 164 Ų | 164 | 52.3 Ų | 52.3 | 62% | 0.619 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.8 | -31.2 | -179 | -60.7 | -179.5 | -172.6 | 145.8 | 13.1 | 112 | E59 D60 G65 R117 | E59-R63 HydrophobicContact CG-CB 4.13Å; E59-R63 VanDerWaalsContact OE1-C 3.31Å; E59-R63 WeakPolarHBondContact OE1-CB 3.39Å; D60-R63 HydrophobicContact CB-CG 4.39Å; D60-R63 PolarHBondContact O-N 2.84Å; D60-R63 IonicContact OD2-CZ 2.69Å; D60-R63 IonicContact OD2-NE 3.12Å; D60-R63 IonicContact OD2-NH1 3.46Å; D60-R63 PolarHBondContact OD2-NH1 2.96Å; D60-R63 IonicContact OD2-NH2 2.75Å; R63-G65 PolarHBondContact O-N 2.9Å; R63-R117 PolarHBondContact O-NH2 3.26Å |
| 64 | A | 80.7 | Confident | 91 | Very high | 8 Ų | 8 | 54.4 Ų | 54.4 | 7% | 0.066 | 27% | 0.269 | C | S | . | . | trans | -64.1 | 112.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | E59 D60 R96 F98 | E59-A64 HydrophobicContact CB-CB 4.39Å; E59-A64 HydrophobicContact CG-CB 4.31Å; D60-A64 WeakPolarHBondContact O-CB 3.42Å; D60-A64 PolarHBondContact O-N 3.02Å; A64-R96 HydrophobicContact CB-CB 4.28Å; A64-R96 HydrophobicContact CB-CG 4.3Å; A64-R96 PolarHBondContact O-NH1 3.16Å; A64-F98 HydrophobicContact CB-CE2 3.91Å; A64-F98 HydrophobicContact CB-CZ 4.01Å | ||
| 65 | G | 82.5 | Confident | 90.9 | Very high | 23 Ų | 23 | 55 Ų | 55 | 24% | 0.237 | 28% | 0.276 | C | S | . | . | trans | -79.5 | -153.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | R63 Y70 R96 | R63-G65 PolarHBondContact O-N 2.9Å; G65-Y70 PolarHBondContact N-OH 3.14Å; G65-R96 PolarHBondContact O-NH1 3.02Å | ||
| 66 | S | 86.6 | Confident | 90.8 | Very high | 65 Ų | 65 | 55.5 Ų | 55.5 | 46% | 0.455 | 28% | 0.277 | S | S | . | . | trans | -74.8 | 149.3 | 170.3 | -159.4 | 0 | 0 | 0 | 0 | 110.3 | D68 Q69 Y70 | S66-D68 WeakPolarHBondContact CB-OD2 3.47Å; S66-D68 PolarHBondContact O-N 3.04Å; S66-D68 PolarHBondContact OG-OD2 2.65Å; S66-Q69 WeakPolarHBondContact O-CB 3.38Å; S66-Q69 PolarHBondContact O-N 3.04Å; S66-Q69 VanDerWaalsContact O-N 3.08Å; S66-Y70 VanDerWaalsContact O-CD2 3.28Å; S66-Y70 WeakPolarHBondContact O-CD2 3.44Å; S66-Y70 WeakPolarHBondContact O-CE2 3.47Å | ||
| 67 | V | 88.7 | Confident | 90.5 | Very high | 54 Ų | 54 | 59.9 Ų | 59.9 | 33% | 0.327 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -58.8 | -33.2 | -179.5 | -162.6 | 0 | 0 | 0 | 0 | 111.3 | Q69 Y70 L86 V88 | V67-Q69 PolarHBondContact O-N 2.95Å; V67-Y70 PolarHBondContact O-N 2.8Å; V67-L86 HydrophobicContact CG1-CB 3.8Å; V67-V88 HydrophobicContact CB-CG2 4.39Å; V67-V88 HydrophobicContact CG1-CG2 3.83Å; V67-V88 HydrophobicContact CG2-CB 4.47Å; V67-V88 HydrophobicContact CG2-CG2 3.66Å |
| 68 | D | 88.2 | Confident | 89.9 | Confident | 144 Ų | 144 | 69 Ų | 69 | 77% | 0.77 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | -64.6 | -18.6 | -179.6 | -33.9 | -87.2 | 0 | 0 | 0 | 113.7 | S66 | S66-D68 WeakPolarHBondContact CB-OD2 3.47Å; S66-D68 PolarHBondContact O-N 3.04Å; S66-D68 PolarHBondContact OG-OD2 2.65Å |
| 69 | Q | 92.5 | Very high | 89.6 | Confident | 62 Ų | 62 | 71.4 Ų | 71.4 | 29% | 0.29 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -74.2 | -17.1 | 173 | -70 | 171.8 | -46 | 0 | 0 | 112.2 | S66 V67 R117 E118 | S66-Q69 WeakPolarHBondContact O-CB 3.38Å; S66-Q69 PolarHBondContact O-N 3.04Å; S66-Q69 VanDerWaalsContact O-N 3.08Å; V67-Q69 PolarHBondContact O-N 2.95Å; Q69-R117 CarbonylContact O-C 3.59Å; Q69-R117 WeakPolarHBondContact O-CA 3.28Å; Q69-E118 HydrophobicContact CB-CG 3.88Å; Q69-E118 HydrophobicContact CG-CG 3.94Å; Q69-E118 PolarHBondContact NE2-OE1 2.94Å; Q69-E118 PolarHBondContact O-N 3.43Å |
| 70 | Y | 94.1 | Very high | 89.4 | Confident | 14 Ų | 14 | 77.3 Ų | 77.3 | 6% | 0.055 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 133.2 | -174.1 | -58.7 | -103.5 | 0 | 0 | 0 | 111.1 | W57 E59 G65 S66 V67 F98 Y116 R117 I122 | W57-Y70 AromaticContact CZ2-CD1 3.72Å; W57-Y70 HydrophobicContact CZ2-CD1 3.72Å; W57-Y70 HydrophobicContact CZ2-CE1 4.33Å; W57-Y70 HydrophobicContact CZ2-CG 4.33Å; E59-Y70 WeakPolarHBondContact OE2-CE1 3.28Å; E59-Y70 PolarHBondContact OE2-OH 2.97Å; G65-Y70 PolarHBondContact N-OH 3.14Å; S66-Y70 VanDerWaalsContact O-CD2 3.28Å; S66-Y70 WeakPolarHBondContact O-CD2 3.44Å; S66-Y70 WeakPolarHBondContact O-CE2 3.47Å; V67-Y70 PolarHBondContact O-N 2.8Å; Y70-F98 HydrophobicContact CD2-CD1 4.48Å; Y70-F98 AromaticContact CD2-CE1 3.76Å; Y70-F98 HydrophobicContact CD2-CE1 3.76Å; Y70-F98 HydrophobicContact CD2-CZ 4.11Å; Y70-F98 HydrophobicContact CE1-CE2 4.47Å; Y70-F98 HydrophobicContact CE1-CZ 4.29Å; Y70-F98 AromaticContact CE2-CE1 3.77Å; Y70-F98 HydrophobicContact CE2-CE1 3.77Å; Y70-F98 AromaticContact CE2-CZ 3.62Å; Y70-F98 HydrophobicContact CE2-CZ 3.62Å; Y70-F98 HydrophobicContact CG-CE1 4.22Å; Y70-F98 AromaticContact CZ-CZ 3.69Å; Y70-Y116 CarbonylContact C-O 3.48Å; Y70-Y116 VanDerWaalsContact CA-O 3.27Å; Y70-Y116 WeakPolarHBondContact CA-O 3.45Å; Y70-R117 HydrophobicContact CD1-CB 4.21Å; Y70-R117 HydrophobicContact CD1-CG 4.34Å; Y70-R117 HydrophobicContact CE1-CB 4.32Å; Y70-R117 HydrophobicContact CE1-CG 4.12Å; Y70-R117 PolarHBondContact OH-NH1 3.44Å; Y70-I122 HydrophobicContact CD1-CD1 4.3Å; Y70-I122 HydrophobicContact CE1-CD1 4.31Å |
| 71 | S | 95 | Very high | 89.2 | Confident | 40 Ų | 40 | 77.7 Ų | 77.7 | 28% | 0.28 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 112.7 | 176.2 | -175.9 | 0 | 0 | 0 | 0 | 109.7 | Y116 | S71-Y116 PolarHBondContact N-O 3.49Å; S71-Y116 PolarHBondContact O-N 2.82Å |
| 72 | F | 96.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 77.3 Ų | 77.3 | 0% | 0 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 121.4 | 172.8 | -172.2 | -77 | 0 | 0 | 0 | 109.4 | P43 C55 W57 Y74 T83 C84 L86 C100 I113 V115 | P43-F72 HydrophobicContact CG-CE2 4.44Å; C55-F72 HydrophobicContact CB-CE2 3.75Å; C55-F72 HydrophobicContact CB-CZ 3.63Å; W57-F72 AromaticContact CZ3-CD2 3.95Å; W57-F72 HydrophobicContact CZ3-CD2 3.95Å; F72-Y74 HydrophobicContact CD1-CD1 4.3Å; F72-Y74 HydrophobicContact CE1-CD1 4.16Å; F72-T83 WeakPolarHBondContact O-CA 3.38Å; F72-C84 HydrophobicContact CB-CB 4.16Å; F72-C84 HydrophobicContact CD1-CB 3.47Å; F72-C84 VanDerWaalsContact CD1-CB 3.47Å; F72-C84 HydrophobicContact CE1-CB 4.18Å; F72-C84 HydrophobicContact CG-CB 4.11Å; F72-C84 PolarHBondContact O-N 2.95Å; F72-L86 HydrophobicContact CB-CD1 4.47Å; F72-L86 HydrophobicContact CB-CD2 3.94Å; F72-L86 HydrophobicContact CB-CG 4.22Å; F72-L86 HydrophobicContact CD2-CD2 4.41Å; F72-L86 HydrophobicContact CG-CD2 4.48Å; F72-C100 HydrophobicContact CD1-CB 3.98Å; F72-C100 HydrophobicContact CD2-CB 3.97Å; F72-C100 HydrophobicContact CE1-CB 3.94Å; F72-C100 WeakPolarHBondContact CE1-SG 3.49Å; F72-C100 HydrophobicContact CE2-CB 3.95Å; F72-C100 HydrophobicContact CG-CB 3.97Å; F72-C100 HydrophobicContact CZ-CB 3.92Å; F72-I113 HydrophobicContact CD2-CG2 4.5Å; F72-I113 HydrophobicContact CE1-CG2 3.89Å; F72-I113 HydrophobicContact CE2-CG2 3.66Å; F72-I113 HydrophobicContact CZ-CD1 4.45Å; F72-I113 HydrophobicContact CZ-CG2 3.3Å; F72-V115 HydrophobicContact CD2-CG2 3.81Å; F72-V115 HydrophobicContact CE2-CG2 4.18Å |
| 73 | R | 95.1 | Very high | 90 | Very high | 124 Ų | 124 | 72.6 Ų | 72.6 | 47% | 0.468 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 141.4 | 177.7 | -57.4 | -166.5 | 176.3 | -160.5 | -3 | 109.9 | S82 T83 Q114 Y116 | R73-S82 WeakPolarHBondContact CA-O 3.47Å; R73-T83 HydrophobicContact CG-CG2 4.28Å; R73-Q114 HydrophobicContact CB-CB 4.44Å; R73-Q114 PolarHBondContact N-O 3.01Å; R73-Q114 PolarHBondContact O-N 2.79Å; R73-Y116 HydrophobicContact CB-CE2 4.44Å; R73-Y116 HydrophobicContact CG-CD2 4.21Å; R73-Y116 HydrophobicContact CG-CE2 4.15Å |
| 74 | Y | 95 | Very high | 90.4 | Very high | 45 Ų | 45 | 65.9 Ų | 65.9 | 18% | 0.176 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 144.4 | 176.7 | 69.9 | -89.4 | 0 | 0 | 0 | 110.8 | F72 Y76 G81 S82 C84 L102 L111 D112 | F72-Y74 HydrophobicContact CD1-CD1 4.3Å; F72-Y74 HydrophobicContact CE1-CD1 4.16Å; Y74-Y76 HydrophobicContact CD2-CE2 4.49Å; Y74-Y76 HydrophobicContact CE2-CE2 4.35Å; Y74-G81 CarbonylContact O-C 3.54Å; Y74-G81 WeakPolarHBondContact O-CA 3.49Å; Y74-S82 VanDerWaalsContact CZ-CB 3.47Å; Y74-S82 PolarHBondContact N-O 2.97Å; Y74-S82 PolarHBondContact O-N 3.06Å; Y74-C84 HydrophobicContact CD1-CB 4.26Å; Y74-C84 HydrophobicContact CE1-CB 4.18Å; Y74-L102 HydrophobicContact CD1-CD2 4.25Å; Y74-L102 HydrophobicContact CD2-CD2 3.7Å; Y74-L102 HydrophobicContact CE1-CD2 4.26Å; Y74-L102 HydrophobicContact CE1-CG 4.39Å; Y74-L102 HydrophobicContact CE2-CD2 3.71Å; Y74-L102 HydrophobicContact CG-CD2 3.98Å; Y74-L111 HydrophobicContact CD2-CD1 3.99Å; Y74-L111 HydrophobicContact CG-CD1 4.46Å; Y74-D112 CarbonylContact C-O 3.55Å; Y74-D112 VanDerWaalsContact CA-O 3.28Å; Y74-D112 WeakPolarHBondContact CA-O 3.32Å |
| 75 | A | 94.9 | Very high | 91 | Very high | 24 Ų | 24 | 69.5 Ų | 69.5 | 20% | 0.198 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 131.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | L111 D112 | A75-L111 WeakPolarHBondContact O-CD1 3.35Å; A75-D112 PolarHBondContact N-O 3.46Å; A75-D112 PolarHBondContact O-N 2.92Å |
| 76 | Y | 94.3 | Very high | 91.6 | Very high | 9 Ų | 9 | 69.9 Ų | 69.9 | 4% | 0.035 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 149.6 | 163.9 | -68.2 | -72.4 | 0 | 0 | 0 | 109.8 | Y74 K78 E79 V105 Q106 V109 L111 I129 | Y74-Y76 HydrophobicContact CD2-CE2 4.49Å; Y74-Y76 HydrophobicContact CE2-CE2 4.35Å; Y76-K78 PolarHBondContact O-N 2.59Å; Y76-K78 VanDerWaalsContact O-N 3.12Å; Y76-E79 WeakPolarHBondContact CD2-OE2 3.33Å; Y76-E79 PolarHBondContact O-N 2.79Å; Y76-V105 WeakPolarHBondContact OH-CA 3.37Å; Y76-Q106 HydrophobicContact CD1-CB 3.93Å; Y76-Q106 HydrophobicContact CD1-CG 4.43Å; Y76-Q106 HydrophobicContact CD2-CG 4.2Å; Y76-Q106 HydrophobicContact CE1-CB 3.77Å; Y76-Q106 HydrophobicContact CE1-CG 4.33Å; Y76-Q106 HydrophobicContact CE2-CB 4.42Å; Y76-Q106 HydrophobicContact CE2-CG 4.09Å; Y76-Q106 HydrophobicContact CG-CB 4.36Å; Y76-Q106 HydrophobicContact CG-CG 4.38Å; Y76-Q106 PolarHBondContact OH-N 3.18Å; Y76-V109 HydrophobicContact CD1-CB 4.36Å; Y76-V109 HydrophobicContact CD1-CG1 4.15Å; Y76-L111 HydrophobicContact CD1-CB 4.15Å; Y76-L111 HydrophobicContact CD1-CD1 4Å; Y76-L111 HydrophobicContact CE1-CB 3.91Å; Y76-L111 HydrophobicContact CE1-CD1 3.79Å; Y76-L111 HydrophobicContact CE1-CD2 4.14Å; Y76-L111 HydrophobicContact CE1-CG 4.16Å; Y76-L111 HydrophobicContact CE2-CD1 4.32Å; Y76-L111 HydrophobicContact CG-CD1 4.34Å; Y76-I129 HydrophobicContact CE1-CD1 4.2Å |
| 77 | Q | 89.9 | Confident | 91.9 | Very high | 93 Ų | 93 | 70.9 Ų | 70.9 | 44% | 0.435 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | 120.4 | -178.9 | -161.8 | -163.1 | 75.3 | 0 | 0 | 111.5 | V109 Q110 | Q77-V109 HydrophobicContact CB-CG1 4.07Å; Q77-Q110 HydrophobicContact CB-CB 4.41Å; Q77-Q110 PolarHBondContact N-O 3.34Å |
| 78 | K | 81.6 | Confident | 92 | Very high | 195 Ų | 195 | 70.9 Ų | 70.9 | 85% | 0.848 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.4 | 4.9 | -176 | -48.7 | 151.6 | -170.7 | 156.5 | 0 | 115.8 | Y76 | Y76-K78 PolarHBondContact O-N 2.59Å; Y76-K78 VanDerWaalsContact O-N 3.12Å |
| 79 | E | 87.8 | Confident | 92.2 | Very high | 100 Ų | 100 | 65.7 Ų | 65.7 | 47% | 0.467 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -97.3 | 166.9 | 171.6 | -64 | -165 | 162.8 | 0 | 0 | 112.9 | Y76 Q106 | Y76-E79 WeakPolarHBondContact CD2-OE2 3.33Å; Y76-E79 PolarHBondContact O-N 2.79Å; E79-Q106 PolarHBondContact OE1-NE2 3.48Å; E79-Q106 PolarHBondContact OE2-NE2 3.07Å |
| 80 | N | 87.2 | Confident | 92 | Very high | 151 Ų | 151 | 70.7 Ų | 70.7 | 81% | 0.807 | 38% | 0.376 | S | S | * | . | P | Polyproline II helix | trans | -76.3 | 136.5 | 171.6 | -71 | -34.2 | 0 | 0 | 0 | 110.6 | S82 | N80-S82 PolarHBondContact O-N 2.77Š|
| 81 | G | 87.9 | Confident | 91.5 | Very high | 60 Ų | 60 | 71.6 Ų | 71.6 | 62% | 0.619 | 39% | 0.385 | S | S | * | . | P | Polyproline II helix | trans | -61.3 | 127.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y74 | Y74-G81 CarbonylContact O-C 3.54Å; Y74-G81 WeakPolarHBondContact O-CA 3.49Å |
| 82 | S | 92.8 | Very high | 90.7 | Very high | 51 Ų | 51 | 73.6 Ų | 73.6 | 36% | 0.357 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 156.1 | 176.8 | -67.5 | 0 | 0 | 0 | 0 | 111.3 | R73 Y74 N80 | R73-S82 WeakPolarHBondContact CA-O 3.47Å; Y74-S82 VanDerWaalsContact CZ-CB 3.47Å; Y74-S82 PolarHBondContact N-O 2.97Å; Y74-S82 PolarHBondContact O-N 3.06Å; N80-S82 PolarHBondContact O-N 2.77Å |
| 83 | T | 93.8 | Very high | 90 | Very high | 99 Ų | 99 | 77.4 Ų | 77.4 | 61% | 0.607 | 44% | 0.443 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 134.9 | 178.1 | 53.7 | 0 | 0 | 0 | 0 | 111.3 | F72 R73 | F72-T83 WeakPolarHBondContact O-CA 3.38Å; R73-T83 HydrophobicContact CG-CG2 4.28Å |
| 84 | C | 94.2 | Very high | 89.5 | Confident | 22 Ų | 22 | 73.6 Ų | 73.6 | 15% | 0.149 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 141.6 | 178.9 | -168.8 | 0 | 0 | 0 | 0 | 111.9 | F72 Y74 C100 | F72-C84 HydrophobicContact CB-CB 4.16Å; F72-C84 HydrophobicContact CD1-CB 3.47Å; F72-C84 VanDerWaalsContact CD1-CB 3.47Å; F72-C84 HydrophobicContact CE1-CB 4.18Å; F72-C84 HydrophobicContact CG-CB 4.11Å; F72-C84 PolarHBondContact O-N 2.95Å; Y74-C84 HydrophobicContact CD1-CB 4.26Å; Y74-C84 HydrophobicContact CE1-CB 4.18Å; C84-C100 HydrophobicContact CB-CB 3.94Å; C84-C100 WeakPolarHBondContact CB-SG 3.29Å; C84-C100 WeakPolarHBondContact SG-CB 3.28Å; C84-C100 CovalentContact SG-SG 2.02Å; C84-C100 PolarHBondContact SG-SG 3.49Å |
| 85 | A | 92.7 | Very high | 89.2 | Confident | 84 Ų | 84 | 74.7 Ų | 74.7 | 69% | 0.694 | 45% | 0.448 | S | S | * | . | P | Polyproline II helix | trans | -79.1 | 119.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 86 | L | 94.7 | Very high | 89.1 | Confident | 31 Ų | 31 | 76 Ų | 76 | 16% | 0.162 | 45% | 0.448 | C | S | . | . | P | Polyproline II helix | trans | -78.5 | 131.5 | -178.6 | -72.1 | 168.8 | 0 | 0 | 0 | 111.7 | W57 V67 F72 L99 C100 | W57-L86 HydrophobicContact CH2-CD1 3.81Å; W57-L86 HydrophobicContact CH2-CD2 3.62Å; W57-L86 HydrophobicContact CH2-CG 4.39Å; W57-L86 HydrophobicContact CZ3-CD2 3.8Å; V67-L86 HydrophobicContact CG1-CB 3.8Å; F72-L86 HydrophobicContact CB-CD1 4.47Å; F72-L86 HydrophobicContact CB-CD2 3.94Å; F72-L86 HydrophobicContact CB-CG 4.22Å; F72-L86 HydrophobicContact CD2-CD2 4.41Å; F72-L86 HydrophobicContact CG-CD2 4.48Å; L86-L99 WeakPolarHBondContact CA-O 3.49Å; L86-C100 HydrophobicContact CD2-CB 4.26Å |
| 87 | Q | 92.6 | Very high | 89 | Confident | 87 Ų | 87 | 75.7 Ų | 75.7 | 41% | 0.407 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 147 | 166.5 | -59 | 173.3 | 16.8 | 0 | 0 | 107.8 | L99 R101 | Q87-L99 HydrophobicContact CB-CD1 3.85Å; Q87-L99 HydrophobicContact CB-CG 3.94Å; Q87-L99 HydrophobicContact CG-CD1 4.4Å; Q87-L99 PolarHBondContact N-O 3Å; Q87-L99 PolarHBondContact O-N 3.49Å; Q87-R101 VanDerWaalsContact OE1-NH1 3.1Å |
| 88 | V | 91.9 | Very high | 89.2 | Confident | 53 Ų | 53 | 71.3 Ų | 71.3 | 32% | 0.321 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 126.3 | -179.1 | -179.4 | 0 | 0 | 0 | 0 | 110.8 | V67 R96 L97 F98 | V67-V88 HydrophobicContact CB-CG2 4.39Å; V67-V88 HydrophobicContact CG1-CG2 3.83Å; V67-V88 HydrophobicContact CG2-CB 4.47Å; V67-V88 HydrophobicContact CG2-CG2 3.66Å; V88-R96 HydrophobicContact CG1-CB 4.18Å; V88-L97 WeakPolarHBondContact CA-O 3.37Å; V88-F98 HydrophobicContact CG2-CD1 3.46Å; V88-F98 VanDerWaalsContact CG2-CD1 3.46Å; V88-F98 HydrophobicContact CG2-CE1 3.79Å; V88-F98 HydrophobicContact CG2-CG 4.19Å |
| 89 | L | 91.5 | Very high | 89.9 | Confident | 35 Ų | 35 | 62 Ų | 62 | 18% | 0.183 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 145.1 | 177.6 | -60.4 | 178.6 | 0 | 0 | 0 | 110.2 | V25 F28 R96 L97 L99 | V25-L89 HydrophobicContact CG1-CD1 4.37Å; V25-L89 HydrophobicContact CG1-CD2 4.24Å; V25-L89 HydrophobicContact CG2-CD2 4.27Å; F28-L89 HydrophobicContact CD1-CD1 3.58Å; F28-L89 HydrophobicContact CE1-CD1 3.91Å; L89-R96 WeakPolarHBondContact O-CA 3.32Å; L89-L97 HydrophobicContact CB-CB 4.46Å; L89-L97 PolarHBondContact N-O 2.81Å; L89-L97 PolarHBondContact O-N 2.87Å; L89-L99 HydrophobicContact CD1-CD2 3.5Å; L89-L99 HydrophobicContact CG-CD2 3.84Å |
| 90 | R | 87.6 | Confident | 90.2 | Very high | 167 Ų | 167 | 57.2 Ų | 57.2 | 63% | 0.63 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 125.3 | 169.6 | -68.9 | -170.6 | 176.6 | 89 | 0.8 | 110.3 | K29 E61 | K29-R90 WeakPolarHBondContact CE-O 3.3Å; K29-R90 PolarHBondContact NZ-O 2.85Å; E61-R90 IonicContact OE1-NE 2.75Å; E61-R90 PolarHBondContact OE1-NE 3.17Å; E61-R90 IonicContact OE1-NH2 3.29Å; E61-R90 IonicContact OE2-NE 3.14Å |
| 91 | S | 84.1 | Confident | 90.6 | Very high | 34 Ų | 34 | 53.9 Ų | 53.9 | 24% | 0.238 | 34% | 0.339 | C | S | . | . | trans | -89.5 | 177.6 | 173.7 | -161.2 | 0 | 0 | 0 | 0 | 110.6 | E58 K95 | E58-S91 PolarHBondContact OE1-OG 3.35Å; S91-K95 WeakPolarHBondContact CB-O 3.15Å; S91-K95 PolarHBondContact N-O 3.45Å | ||
| 92 | A | 79.5 | Confident | 90.9 | Very high | 82 Ų | 82 | 51.2 Ų | 51.2 | 68% | 0.678 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -70.3 | 162.7 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | G94 | A92-G94 VanDerWaalsContact C-N 3.34Å; A92-G94 PolarHBondContact O-N 2.84Å |
| 93 | G | 80.6 | Confident | 90.4 | Very high | 80 Ų | 80 | 56 Ų | 56 | 83% | 0.825 | 33% | 0.332 | S | S | * | . | S | Bend | trans | 69.1 | 22.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 94 | G | 84.2 | Confident | 90 | Very high | 44 Ų | 44 | 61.5 Ų | 61.5 | 45% | 0.454 | 34% | 0.342 | S | S | . | . | S | Bend | trans | 74.3 | 38.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | E61 A92 | E61-G94 WeakPolarHBondContact CB-O 3.3Å; E61-G94 PolarHBondContact N-O 2.9Å; A92-G94 VanDerWaalsContact C-N 3.34Å; A92-G94 PolarHBondContact O-N 2.84Å |
| 95 | K | 89.9 | Confident | 89.8 | Confident | 68 Ų | 68 | 61.8 Ų | 61.8 | 30% | 0.296 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 152.3 | -179.5 | -58.9 | -173.3 | 175.7 | -179.4 | 0 | 112.5 | E58 S91 | E58-K95 HydrophobicContact CG-CB 3.96Å; E58-K95 HydrophobicContact CG-CD 3.74Å; E58-K95 WeakPolarHBondContact OE2-CD 3.31Å; E58-K95 IonicContact OE2-NZ 2.69Å; E58-K95 PolarHBondContact OE2-NZ 3.01Å; S91-K95 WeakPolarHBondContact CB-O 3.15Å; S91-K95 PolarHBondContact N-O 3.45Å |
| 96 | R | 91.6 | Very high | 89.7 | Confident | 51 Ų | 51 | 61.3 Ų | 61.3 | 19% | 0.192 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 135.2 | 174 | -62.3 | -170.7 | -172.6 | 141.1 | 7.9 | 110.4 | E59 E61 A64 G65 V88 L89 F98 | E59-R96 PolarHBondContact N-O 3.35Å; E59-R96 PolarHBondContact O-N 3.19Å; E61-R96 HydrophobicContact CB-CG 4.27Å; E61-R96 HydrophobicContact CG-CG 4.42Å; E61-R96 IonicContact OE1-CZ 2.65Å; E61-R96 VanDerWaalsContact OE1-CZ 3.23Å; E61-R96 IonicContact OE1-NE 3.88Å; E61-R96 PolarHBondContact OE1-NE 3.04Å; E61-R96 IonicContact OE1-NH2 3.27Å; E61-R96 PolarHBondContact OE1-NH2 3.05Å; A64-R96 HydrophobicContact CB-CB 4.28Å; A64-R96 HydrophobicContact CB-CG 4.3Å; A64-R96 PolarHBondContact O-NH1 3.16Å; G65-R96 PolarHBondContact O-NH1 3.02Å; V88-R96 HydrophobicContact CG1-CB 4.18Å; L89-R96 WeakPolarHBondContact O-CA 3.32Å; R96-F98 HydrophobicContact CB-CE2 4.31Å |
| 97 | L | 93.4 | Very high | 89.6 | Confident | 2 Ų | 2 | 61.5 Ų | 61.5 | 1% | 0.01 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 116.2 | 170.3 | -64.8 | 165.2 | 0 | 0 | 0 | 107.7 | F28 F56 W57 E58 V88 L89 | F28-L97 HydrophobicContact CE1-CD1 4.35Å; F56-L97 HydrophobicContact CD2-CD2 3.8Å; F56-L97 HydrophobicContact CE2-CD2 4.02Å; W57-L97 WeakPolarHBondContact O-CA 3.4Å; E58-L97 HydrophobicContact CB-CD2 3.74Å; E58-L97 HydrophobicContact CG-CD2 3.81Å; V88-L97 WeakPolarHBondContact CA-O 3.37Å; L89-L97 HydrophobicContact CB-CB 4.46Å; L89-L97 PolarHBondContact N-O 2.81Å; L89-L97 PolarHBondContact O-N 2.87Å |
| 98 | F | 94.6 | Very high | 89.6 | Confident | 1 Ų | 1 | 63 Ų | 63 | 0% | 0.004 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 125.7 | 168.8 | -66.2 | -98.3 | 0 | 0 | 0 | 107.5 | F56 W57 E59 A64 Y70 V88 R96 | F56-F98 CarbonylContact C-O 3.46Å; F56-F98 WeakPolarHBondContact CA-O 3.27Å; F56-F98 VanDerWaalsContact CB-O 3.29Å; F56-F98 WeakPolarHBondContact CB-O 3.46Å; W57-F98 HydrophobicContact CD2-CB 3.9Å; W57-F98 AromaticContact CE2-CD2 3.99Å; W57-F98 AromaticContact CE2-CG 3.89Å; W57-F98 HydrophobicContact CE3-CB 4.05Å; W57-F98 HydrophobicContact CH2-CB 3.53Å; W57-F98 HydrophobicContact CH2-CG 4.24Å; W57-F98 HydrophobicContact CZ2-CB 3.34Å; W57-F98 HydrophobicContact CZ2-CD1 4.13Å; W57-F98 HydrophobicContact CZ2-CD2 4.14Å; W57-F98 AromaticContact CZ2-CG 3.64Å; W57-F98 HydrophobicContact CZ2-CG 3.64Å; W57-F98 HydrophobicContact CZ3-CB 3.87Å; W57-F98 PolarHBondContact N-O 2.76Å; W57-F98 AromaticContact NE1-CD2 3.74Å; W57-F98 PolarHBondContact O-N 2.86Å; W57-F98 VanDerWaalsContact O-N 3.08Å; E59-F98 HydrophobicContact CB-CE2 4.2Å; A64-F98 HydrophobicContact CB-CE2 3.91Å; A64-F98 HydrophobicContact CB-CZ 4.01Å; Y70-F98 HydrophobicContact CD2-CD1 4.48Å; Y70-F98 AromaticContact CD2-CE1 3.76Å; Y70-F98 HydrophobicContact CD2-CE1 3.76Å; Y70-F98 HydrophobicContact CD2-CZ 4.11Å; Y70-F98 HydrophobicContact CE1-CE2 4.47Å; Y70-F98 HydrophobicContact CE1-CZ 4.29Å; Y70-F98 AromaticContact CE2-CE1 3.77Å; Y70-F98 HydrophobicContact CE2-CE1 3.77Å; Y70-F98 AromaticContact CE2-CZ 3.62Å; Y70-F98 HydrophobicContact CE2-CZ 3.62Å; Y70-F98 HydrophobicContact CG-CE1 4.22Å; Y70-F98 AromaticContact CZ-CZ 3.69Å; V88-F98 HydrophobicContact CG2-CD1 3.46Å; V88-F98 VanDerWaalsContact CG2-CD1 3.46Å; V88-F98 HydrophobicContact CG2-CE1 3.79Å; V88-F98 HydrophobicContact CG2-CG 4.19Å; R96-F98 HydrophobicContact CB-CE2 4.31Å |
| 99 | L | 95.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 148.1 | -177.6 | 74.8 | 92.1 | 0 | 0 | 0 | 112.7 | F28 V54 C55 F56 L86 Q87 L89 R101 | F28-L99 HydrophobicContact CD1-CD2 4.15Å; F28-L99 HydrophobicContact CE1-CD2 3.61Å; F28-L99 HydrophobicContact CE2-CD2 4.32Å; F28-L99 HydrophobicContact CZ-CB 4.12Å; F28-L99 HydrophobicContact CZ-CD2 3.71Å; F28-L99 HydrophobicContact CZ-CG 4.49Å; V54-L99 HydrophobicContact CG1-CD1 4.38Å; C55-L99 CarbonylContact O-C 3.11Å; C55-L99 VanDerWaalsContact O-CA 3.3Å; C55-L99 WeakPolarHBondContact O-CA 3.48Å; F56-L99 HydrophobicContact CB-CB 3.77Å; L86-L99 WeakPolarHBondContact CA-O 3.49Å; Q87-L99 HydrophobicContact CB-CD1 3.85Å; Q87-L99 HydrophobicContact CB-CG 3.94Å; Q87-L99 HydrophobicContact CG-CD1 4.4Å; Q87-L99 PolarHBondContact N-O 3Å; Q87-L99 PolarHBondContact O-N 3.49Å; L89-L99 HydrophobicContact CD1-CD2 3.5Å; L89-L99 HydrophobicContact CG-CD2 3.84Å; L99-R101 HydrophobicContact CD1-CG 3.87Å |
| 100 | C | 95.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 133 | 172.7 | 163.6 | 0 | 0 | 0 | 0 | 108.4 | V54 C55 F72 C84 L86 L102 | V54-C100 WeakPolarHBondContact CA-O 3.5Å; C55-C100 PolarHBondContact N-O 3.26Å; C55-C100 PolarHBondContact O-N 3.4Å; F72-C100 HydrophobicContact CD1-CB 3.98Å; F72-C100 HydrophobicContact CD2-CB 3.97Å; F72-C100 HydrophobicContact CE1-CB 3.94Å; F72-C100 WeakPolarHBondContact CE1-SG 3.49Å; F72-C100 HydrophobicContact CE2-CB 3.95Å; F72-C100 HydrophobicContact CG-CB 3.97Å; F72-C100 HydrophobicContact CZ-CB 3.92Å; C84-C100 HydrophobicContact CB-CB 3.94Å; C84-C100 WeakPolarHBondContact CB-SG 3.29Å; C84-C100 WeakPolarHBondContact SG-CB 3.28Å; C84-C100 CovalentContact SG-SG 2.02Å; C84-C100 PolarHBondContact SG-SG 3.49Å; L86-C100 HydrophobicContact CD2-CB 4.26Å; C100-L102 WeakPolarHBondContact SG-CD1 3.45Å |
| 101 | R | 94.8 | Very high | 90.3 | Very high | 80 Ų | 80 | 56.3 Ų | 56.3 | 30% | 0.302 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 129.8 | 174 | -75.1 | 168.2 | 154.2 | 157.9 | -17.3 | 108.4 | D24 V54 Q87 L99 | D24-R101 VanDerWaalsContact CG-NH2 3.27Å; D24-R101 IonicContact OD1-NH2 3.12Å; D24-R101 PolarHBondContact OD1-NH2 3.44Å; D24-R101 IonicContact OD2-CZ 2.62Å; D24-R101 IonicContact OD2-NH1 2.67Å; D24-R101 PolarHBondContact OD2-NH1 3.48Å; D24-R101 IonicContact OD2-NH2 2.77Å; D24-R101 PolarHBondContact OD2-NH2 3.19Å; V54-R101 HydrophobicContact CG1-CG 3.95Å; V54-R101 HydrophobicContact CG2-CG 4.04Å; Q87-R101 VanDerWaalsContact OE1-NH1 3.1Å; L99-R101 HydrophobicContact CD1-CG 3.87Å |
| 102 | L | 93.4 | Very high | 90.8 | Very high | 5 Ų | 5 | 56.8 Ų | 56.8 | 3% | 0.026 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 111.7 | 177.3 | -70.8 | 79.4 | 0 | 0 | 0 | 109.7 | F53 Y74 C100 R104 V105 L111 | F53-L102 HydrophobicContact CB-CB 4.42Å; F53-L102 HydrophobicContact CD1-CD1 4.17Å; F53-L102 HydrophobicContact CD1-CD2 4.42Å; F53-L102 PolarHBondContact N-O 2.93Å; F53-L102 PolarHBondContact O-N 2.95Å; Y74-L102 HydrophobicContact CD1-CD2 4.25Å; Y74-L102 HydrophobicContact CD2-CD2 3.7Å; Y74-L102 HydrophobicContact CE1-CD2 4.26Å; Y74-L102 HydrophobicContact CE1-CG 4.39Å; Y74-L102 HydrophobicContact CE2-CD2 3.71Å; Y74-L102 HydrophobicContact CG-CD2 3.98Å; C100-L102 WeakPolarHBondContact SG-CD1 3.45Å; L102-R104 VanDerWaalsContact C-N 3.25Å; L102-R104 PolarHBondContact O-N 3.24Å; L102-V105 HydrophobicContact CB-CG1 4.21Å; L102-L111 HydrophobicContact CD2-CD2 4.29Å |
| 103 | D | 82.8 | Confident | 91.6 | Very high | 150 Ų | 150 | 52.9 Ų | 52.9 | 80% | 0.802 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -81.6 | -1.7 | 177.8 | -50.8 | -49.6 | 0 | 0 | 0 | 113.7 | ||
| 104 | R | 85 | Confident | 92.3 | Very high | 216 Ų | 216 | 52.2 Ų | 52.2 | 82% | 0.815 | 25% | 0.25 | S | C | * | . | S | Bend | trans | -138.9 | 89.9 | -175.9 | -66.5 | -171.6 | -176.6 | -167.4 | 1.9 | 109.7 | L102 | L102-R104 VanDerWaalsContact C-N 3.25Å; L102-R104 PolarHBondContact O-N 3.24Å |
| 105 | V | 90.5 | Very high | 92.9 | Very high | 28 Ų | 28 | 50.1 Ų | 50.1 | 17% | 0.17 | 23% | 0.228 | C | C | . | . | trans | -101.9 | 147 | -177.5 | -56.3 | 0 | 0 | 0 | 0 | 111.9 | K51 F53 Y76 L102 I129 | K51-V105 VanDerWaalsContact C-CG2 3.49Å; K51-V105 WeakPolarHBondContact O-CG2 3.39Å; F53-V105 HydrophobicContact CB-CG1 3.49Å; F53-V105 VanDerWaalsContact CB-CG1 3.49Å; Y76-V105 WeakPolarHBondContact OH-CA 3.37Å; L102-V105 HydrophobicContact CB-CG1 4.21Å; V105-I129 HydrophobicContact CB-CD1 3.86Å; V105-I129 HydrophobicContact CG1-CD1 4.19Å | ||
| 106 | Q | 91.3 | Very high | 93.1 | Very high | 74 Ų | 74 | 49.1 Ų | 49.1 | 35% | 0.346 | 22% | 0.223 | S | C | . | . | trans | -118.2 | 129.3 | 168.8 | -54.5 | -166 | 61.3 | 0 | 0 | 108.9 | Y76 E79 | Y76-Q106 HydrophobicContact CD1-CB 3.93Å; Y76-Q106 HydrophobicContact CD1-CG 4.43Å; Y76-Q106 HydrophobicContact CD2-CG 4.2Å; Y76-Q106 HydrophobicContact CE1-CB 3.77Å; Y76-Q106 HydrophobicContact CE1-CG 4.33Å; Y76-Q106 HydrophobicContact CE2-CB 4.42Å; Y76-Q106 HydrophobicContact CE2-CG 4.09Å; Y76-Q106 HydrophobicContact CG-CB 4.36Å; Y76-Q106 HydrophobicContact CG-CG 4.38Å; Y76-Q106 PolarHBondContact OH-N 3.18Å; E79-Q106 PolarHBondContact OE1-NE2 3.48Å; E79-Q106 PolarHBondContact OE2-NE2 3.07Å | ||
| 107 | M | 91.4 | Very high | 93.2 | Very high | 35 Ų | 35 | 49.7 Ų | 49.7 | 17% | 0.172 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -94.2 | 158.8 | 174.2 | -69.3 | 177.9 | 162.7 | 0 | 0 | 110.5 | K50 V109 F133 Y217 | K50-M107 HydrophobicContact CB-CE 3.7Å; K50-M107 HydrophobicContact CB-SD 4.21Å; K50-M107 HydrophobicContact CD-CE 4.49Å; K50-M107 HydrophobicContact CD-SD 4.41Å; K50-M107 HydrophobicContact CG-CE 3.88Å; K50-M107 HydrophobicContact CG-SD 4.39Å; M107-V109 PolarHBondContact O-N 3.45Å; M107-F133 HydrophobicContact CE-CE2 4.28Å; M107-F133 HydrophobicContact CE-CZ 3.64Å; M107-Y217 HydrophobicContact SD-CE1 4.35Å |
| 108 | F | 92.8 | Very high | 93.2 | Very high | 119 Ų | 119 | 55.9 Ų | 55.9 | 52% | 0.522 | 25% | 0.254 | S | S | . | . | S | Bend | trans | 63.5 | 23.3 | 178.1 | -41.8 | -61.7 | 0 | 0 | 0 | 113 | E130 T216 Y217 | F108-E130 WeakPolarHBondContact CA-OE1 3.42Å; F108-E130 HydrophobicContact CD1-CG 3.9Å; F108-E130 HydrophobicContact CE1-CB 4.09Å; F108-E130 HydrophobicContact CE1-CG 3.86Å; F108-E130 PolarHBondContact N-OE1 3.49Å; F108-E130 VanDerWaalsContact N-OE1 3.15Å; F108-E130 PolarHBondContact N-OE2 2.97Å; F108-T216 HydrophobicContact CE1-CG2 3.75Å; F108-T216 HydrophobicContact CZ-CG2 4.03Å; F108-Y217 HydrophobicContact CE1-CE1 4.3Å; F108-Y217 AromaticContact CZ-CE1 3.8Å; F108-Y217 HydrophobicContact CZ-CE1 3.8Å; F108-Y217 AromaticContact CZ-CZ 3.97Å |
| 109 | V | 94.1 | Very high | 92.9 | Very high | 41 Ų | 41 | 58.9 Ų | 58.9 | 25% | 0.248 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -136.9 | 130.4 | 177.3 | -176.9 | 0 | 0 | 0 | 0 | 108.3 | Y76 Q77 M107 L111 | Y76-V109 HydrophobicContact CD1-CB 4.36Å; Y76-V109 HydrophobicContact CD1-CG1 4.15Å; Q77-V109 HydrophobicContact CB-CG1 4.07Å; M107-V109 PolarHBondContact O-N 3.45Å; V109-L111 PolarHBondContact O-N 3.04Å |
| 110 | Q | 95.4 | Very high | 92.8 | Very high | 72 Ų | 72 | 64.9 Ų | 64.9 | 34% | 0.336 | 32% | 0.316 | S | S | . | . | trans | -60.8 | 127.5 | 175.3 | -176.7 | -178.9 | -45.4 | 0 | 0 | 110.4 | Q77 D112 L127 L128 | Q77-Q110 HydrophobicContact CB-CB 4.41Å; Q77-Q110 PolarHBondContact N-O 3.34Å; Q110-D112 PolarHBondContact NE2-OD1 3.31Å; Q110-L127 WeakPolarHBondContact CA-O 3.36Å; Q110-L128 HydrophobicContact CB-CD2 4.42Å | ||
| 111 | L | 95.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 117.2 | 173 | 177.5 | 57.5 | 0 | 0 | 0 | 108.7 | F53 Y74 A75 Y76 L102 V109 I113 S126 L127 I129 | F53-L111 HydrophobicContact CD1-CD2 3.9Å; F53-L111 HydrophobicContact CE1-CD2 3.61Å; Y74-L111 HydrophobicContact CD2-CD1 3.99Å; Y74-L111 HydrophobicContact CG-CD1 4.46Å; A75-L111 WeakPolarHBondContact O-CD1 3.35Å; Y76-L111 HydrophobicContact CD1-CB 4.15Å; Y76-L111 HydrophobicContact CD1-CD1 4Å; Y76-L111 HydrophobicContact CE1-CB 3.91Å; Y76-L111 HydrophobicContact CE1-CD1 3.79Å; Y76-L111 HydrophobicContact CE1-CD2 4.14Å; Y76-L111 HydrophobicContact CE1-CG 4.16Å; Y76-L111 HydrophobicContact CE2-CD1 4.32Å; Y76-L111 HydrophobicContact CG-CD1 4.34Å; L102-L111 HydrophobicContact CD2-CD2 4.29Å; V109-L111 PolarHBondContact O-N 3.04Å; L111-I113 HydrophobicContact CD2-CD1 4.03Å; L111-I113 HydrophobicContact CD2-CG1 4.32Å; L111-I113 HydrophobicContact CG-CD1 4.11Å; L111-I113 HydrophobicContact CG-CG1 3.88Å; L111-S126 WeakPolarHBondContact O-CA 3.45Å; L111-L127 HydrophobicContact CB-CD1 3.97Å; L111-L127 HydrophobicContact CD2-CD1 4.25Å; L111-L127 HydrophobicContact CG-CD1 4.41Å; L111-L127 PolarHBondContact N-O 2.91Å; L111-L127 PolarHBondContact O-N 3.32Å; L111-I129 HydrophobicContact CD2-CD1 3.92Å; L111-I129 HydrophobicContact CD2-CG1 4.18Å |
| 112 | D | 95.4 | Very high | 92.8 | Very high | 45 Ų | 45 | 68.4 Ų | 68.4 | 24% | 0.241 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 126.2 | 175.4 | -66.7 | -37.3 | 0 | 0 | 0 | 109.6 | Y74 A75 Q110 S126 | Y74-D112 CarbonylContact C-O 3.55Å; Y74-D112 VanDerWaalsContact CA-O 3.28Å; Y74-D112 WeakPolarHBondContact CA-O 3.32Å; A75-D112 PolarHBondContact N-O 3.46Å; A75-D112 PolarHBondContact O-N 2.92Å; Q110-D112 PolarHBondContact NE2-OD1 3.31Å; D112-S126 WeakPolarHBondContact OD1-CB 3.3Å; D112-S126 PolarHBondContact OD1-OG 2.95Å |
| 113 | I | 96.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 127.3 | -172.8 | -53.4 | -175.4 | 0 | 0 | 0 | 110.1 | P43 F53 C55 F72 L111 N124 R125 L127 | P43-I113 HydrophobicContact CG-CG2 3.86Å; F53-I113 HydrophobicContact CE1-CD1 3.93Å; C55-I113 WeakPolarHBondContact SG-CD1 3.33Å; F72-I113 HydrophobicContact CD2-CG2 4.5Å; F72-I113 HydrophobicContact CE1-CG2 3.89Å; F72-I113 HydrophobicContact CE2-CG2 3.66Å; F72-I113 HydrophobicContact CZ-CD1 4.45Å; F72-I113 HydrophobicContact CZ-CG2 3.3Å; L111-I113 HydrophobicContact CD2-CD1 4.03Å; L111-I113 HydrophobicContact CD2-CG1 4.32Å; L111-I113 HydrophobicContact CG-CD1 4.11Å; L111-I113 HydrophobicContact CG-CG1 3.88Å; I113-N124 CarbonylContact O-C 3.56Å; I113-N124 WeakPolarHBondContact O-CA 3.37Å; I113-R125 WeakPolarHBondContact CB-O 3.36Å; I113-R125 PolarHBondContact N-O 3.42Å; I113-R125 PolarHBondContact O-N 2.92Å; I113-L127 HydrophobicContact CD1-CD2 3.74Å; I113-L127 HydrophobicContact CD1-CG 4.27Å |
| 114 | Q | 95.4 | Very high | 93.5 | Very high | 65 Ų | 65 | 67.6 Ų | 67.6 | 30% | 0.304 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 124 | -176.6 | -66.6 | 164.7 | -11.7 | 0 | 0 | 109.7 | R73 Y116 H123 | R73-Q114 HydrophobicContact CB-CB 4.44Å; R73-Q114 PolarHBondContact N-O 3.01Å; R73-Q114 PolarHBondContact O-N 2.79Å; Q114-Y116 HydrophobicContact CB-CD2 4.39Å; Q114-Y116 HydrophobicContact CB-CE2 3.57Å; Q114-Y116 PolarHBondContact OE1-OH 3.38Å; Q114-Y116 VanDerWaalsContact OE1-OH 3.11Å; Q114-H123 WeakPolarHBondContact CA-O 3.38Å |
| 115 | V | 96.4 | Very high | 94 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 123.5 | 174.7 | -171.1 | 0 | 0 | 0 | 0 | 108.4 | P43 W57 F72 I122 H123 | P43-V115 HydrophobicContact CG-CG2 4.33Å; W57-V115 HydrophobicContact CE3-CG1 4.38Å; W57-V115 HydrophobicContact CE3-CG2 4.3Å; W57-V115 HydrophobicContact CH2-CG1 3.52Å; W57-V115 HydrophobicContact CZ2-CG1 3.67Å; W57-V115 HydrophobicContact CZ3-CG1 3.92Å; W57-V115 HydrophobicContact CZ3-CG2 4.11Å; F72-V115 HydrophobicContact CD2-CG2 3.81Å; F72-V115 HydrophobicContact CE2-CG2 4.18Å; V115-I122 HydrophobicContact CB-CG1 4.06Å; V115-I122 HydrophobicContact CG1-CD1 3.91Å; V115-I122 HydrophobicContact CG1-CG1 3.9Å; V115-I122 VanDerWaalsContact O-CG1 3.3Å; V115-I122 WeakPolarHBondContact O-CG1 3.48Å; V115-I122 PolarHBondContact O-N 3.5Å; V115-H123 HydrophobicContact CB-CB 3.98Å; V115-H123 HydrophobicContact CG2-CB 4.05Å; V115-H123 PolarHBondContact N-O 3.23Å; V115-H123 PolarHBondContact O-N 2.9Å |
| 116 | Y | 94.9 | Very high | 94.2 | Very high | 47 Ų | 47 | 60.3 Ų | 60.3 | 18% | 0.184 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 144.5 | 176.2 | -61.4 | -91.8 | 0 | 0 | 0 | 110.6 | Y70 S71 R73 Q114 I120 Q121 | Y70-Y116 CarbonylContact C-O 3.48Å; Y70-Y116 VanDerWaalsContact CA-O 3.27Å; Y70-Y116 WeakPolarHBondContact CA-O 3.45Å; S71-Y116 PolarHBondContact N-O 3.49Å; S71-Y116 PolarHBondContact O-N 2.82Å; R73-Y116 HydrophobicContact CB-CE2 4.44Å; R73-Y116 HydrophobicContact CG-CD2 4.21Å; R73-Y116 HydrophobicContact CG-CE2 4.15Å; Q114-Y116 HydrophobicContact CB-CD2 4.39Å; Q114-Y116 HydrophobicContact CB-CE2 3.57Å; Q114-Y116 PolarHBondContact OE1-OH 3.38Å; Q114-Y116 VanDerWaalsContact OE1-OH 3.11Å; Y116-I120 CarbonylContact C-O 3.53Å; Y116-I120 VanDerWaalsContact CA-O 3.23Å; Y116-I120 WeakPolarHBondContact CA-O 3.49Å; Y116-Q121 HydrophobicContact CD1-CB 3.82Å; Y116-Q121 HydrophobicContact CD1-CG 4.23Å; Y116-Q121 HydrophobicContact CE1-CB 3.56Å; Y116-Q121 HydrophobicContact CE1-CG 3.77Å; Y116-Q121 PolarHBondContact OH-OE1 2.91Å |
| 117 | R | 94.4 | Very high | 94.4 | Very high | 63 Ų | 63 | 57.5 Ų | 57.5 | 24% | 0.238 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 120.2 | 167.3 | 179.8 | -176.9 | -177.6 | 153.5 | 9.8 | 108.5 | E59 R63 Q69 Y70 G119 I120 I122 | E59-R117 IonicContact OE1-CZ 2.77Å; E59-R117 IonicContact OE1-NH1 3.53Å; E59-R117 PolarHBondContact OE1-NH1 3.35Å; E59-R117 IonicContact OE2-NH1 2.65Å; R63-R117 PolarHBondContact O-NH2 3.26Å; Q69-R117 CarbonylContact O-C 3.59Å; Q69-R117 WeakPolarHBondContact O-CA 3.28Å; Y70-R117 HydrophobicContact CD1-CB 4.21Å; Y70-R117 HydrophobicContact CD1-CG 4.34Å; Y70-R117 HydrophobicContact CE1-CB 4.32Å; Y70-R117 HydrophobicContact CE1-CG 4.12Å; Y70-R117 PolarHBondContact OH-NH1 3.44Å; R117-G119 PolarHBondContact O-N 3.49Å; R117-I120 PolarHBondContact N-O 3.46Å; R117-I120 WeakPolarHBondContact O-CB 3.31Å; R117-I120 PolarHBondContact O-N 2.94Å; R117-I122 HydrophobicContact CB-CD1 4.23Å; R117-I122 HydrophobicContact CB-CG2 3.88Å |
| 118 | E | 91.6 | Very high | 94.6 | Very high | 132 Ų | 132 | 58.9 Ų | 58.9 | 62% | 0.617 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 30.9 | -178.7 | -56.5 | -171.9 | 125.9 | 0 | 0 | 113.5 | Q69 | Q69-E118 HydrophobicContact CB-CG 3.88Å; Q69-E118 HydrophobicContact CG-CG 3.94Å; Q69-E118 PolarHBondContact NE2-OE1 2.94Å; Q69-E118 PolarHBondContact O-N 3.43Å |
| 119 | G | 89.4 | Confident | 94.7 | Very high | 64 Ų | 64 | 53.2 Ų | 53.2 | 66% | 0.66 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.7 | -12.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | R117 | R117-G119 PolarHBondContact O-N 3.49Š|
| 120 | I | 93.6 | Very high | 94.6 | Very high | 126 Ų | 126 | 51.7 Ų | 51.7 | 65% | 0.646 | 27% | 0.272 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 130.4 | 175.3 | -56.7 | 177 | 0 | 0 | 0 | 109.4 | Y116 R117 I122 | Y116-I120 CarbonylContact C-O 3.53Å; Y116-I120 VanDerWaalsContact CA-O 3.23Å; Y116-I120 WeakPolarHBondContact CA-O 3.49Å; R117-I120 PolarHBondContact N-O 3.46Å; R117-I120 WeakPolarHBondContact O-CB 3.31Å; R117-I120 PolarHBondContact O-N 2.94Å; I120-I122 PolarHBondContact O-N 3.32Å |
| 121 | Q | 95 | Very high | 94.6 | Very high | 88 Ų | 88 | 51.6 Ų | 51.6 | 41% | 0.411 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 113.8 | 177.3 | -163.2 | 176.7 | -82.8 | 0 | 0 | 110.3 | Y116 | Y116-Q121 HydrophobicContact CD1-CB 3.82Å; Y116-Q121 HydrophobicContact CD1-CG 4.23Å; Y116-Q121 HydrophobicContact CE1-CB 3.56Å; Y116-Q121 HydrophobicContact CE1-CG 3.77Å; Y116-Q121 PolarHBondContact OH-OE1 2.91Å |
| 122 | I | 94.8 | Very high | 94.6 | Very high | 66 Ų | 66 | 52.2 Ų | 52.2 | 34% | 0.338 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | -31.5 | -179.6 | 58.5 | 165.7 | 0 | 0 | 0 | 112.8 | Y70 V115 R117 I120 | Y70-I122 HydrophobicContact CD1-CD1 4.3Å; Y70-I122 HydrophobicContact CE1-CD1 4.31Å; V115-I122 HydrophobicContact CB-CG1 4.06Å; V115-I122 HydrophobicContact CG1-CD1 3.91Å; V115-I122 HydrophobicContact CG1-CG1 3.9Å; V115-I122 VanDerWaalsContact O-CG1 3.3Å; V115-I122 WeakPolarHBondContact O-CG1 3.48Å; V115-I122 PolarHBondContact O-N 3.5Å; R117-I122 HydrophobicContact CB-CD1 4.23Å; R117-I122 HydrophobicContact CB-CG2 3.88Å; I120-I122 PolarHBondContact O-N 3.32Å |
| 123 | H | 95.4 | Very high | 94.5 | Very high | 45 Ų | 45 | 50 Ų | 50 | 21% | 0.208 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 146.2 | 176.6 | -53 | -55.3 | 0 | 0 | 0 | 111.1 | W57 Q114 V115 | W57-H123 AromaticContact CD1-NE2 3.72Å; W57-H123 AromaticContact CG-NE2 3.79Å; Q114-H123 WeakPolarHBondContact CA-O 3.38Å; V115-H123 HydrophobicContact CB-CB 3.98Å; V115-H123 HydrophobicContact CG2-CB 4.05Å; V115-H123 PolarHBondContact N-O 3.23Å; V115-H123 PolarHBondContact O-N 2.9Å |
| 124 | N | 94.8 | Very high | 94.5 | Very high | 94 Ų | 94 | 50.1 Ų | 50.1 | 50% | 0.503 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 117.9 | 175.9 | -176.7 | 31.2 | 0 | 0 | 0 | 108.9 | I113 | I113-N124 CarbonylContact O-C 3.56Å; I113-N124 WeakPolarHBondContact O-CA 3.37Å |
| 125 | R | 95 | Very high | 94.4 | Very high | 23 Ų | 23 | 47.2 Ų | 47.2 | 9% | 0.087 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 117.5 | -174.8 | -176.9 | -179.9 | 177.3 | 142.7 | 7.8 | 110.5 | E39 K41 P43 I113 L127 | E39-R125 VanDerWaalsContact CD-NH1 3.25Å; E39-R125 VanDerWaalsContact CD-NH2 3.35Å; E39-R125 IonicContact OE1-NH1 3.5Å; E39-R125 PolarHBondContact OE1-NH1 3.19Å; E39-R125 IonicContact OE1-NH2 2.8Å; E39-R125 IonicContact OE2-CZ 3.45Å; E39-R125 IonicContact OE2-NH1 3.49Å; E39-R125 PolarHBondContact OE2-NH1 3.36Å; E39-R125 IonicContact OE2-NH2 2.91Å; E39-R125 PolarHBondContact OE2-NH2 2.94Å; K41-R125 PolarHBondContact O-NH1 2.77Å; P43-R125 WeakPolarHBondContact O-CD 3.31Å; P43-R125 PolarHBondContact O-NH1 3.5Å; I113-R125 WeakPolarHBondContact CB-O 3.36Å; I113-R125 PolarHBondContact N-O 3.42Å; I113-R125 PolarHBondContact O-N 2.92Å; R125-L127 HydrophobicContact CG-CD2 4.14Å |
| 126 | S | 95.3 | Very high | 94.2 | Very high | 67 Ų | 67 | 49.5 Ų | 49.5 | 47% | 0.469 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 137.7 | 164.3 | -55.5 | 0 | 0 | 0 | 0 | 109.7 | L111 D112 | L111-S126 WeakPolarHBondContact O-CA 3.45Å; D112-S126 WeakPolarHBondContact OD1-CB 3.3Å; D112-S126 PolarHBondContact OD1-OG 2.95Å |
| 127 | L | 95.3 | Very high | 94.2 | Very high | 16 Ų | 16 | 48.3 Ų | 48.3 | 8% | 0.084 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 171.6 | -178.6 | 58.9 | 80.6 | 0 | 0 | 0 | 112.8 | C45 F53 Q110 L111 I113 R125 I129 L132 | C45-L127 HydrophobicContact CB-CD2 4.21Å; F53-L127 HydrophobicContact CE1-CD1 4.04Å; F53-L127 HydrophobicContact CE1-CD2 4.46Å; F53-L127 HydrophobicContact CE2-CD1 4.41Å; F53-L127 HydrophobicContact CZ-CD1 3.53Å; F53-L127 HydrophobicContact CZ-CD2 3.87Å; F53-L127 HydrophobicContact CZ-CG 4.38Å; Q110-L127 WeakPolarHBondContact CA-O 3.36Å; L111-L127 HydrophobicContact CB-CD1 3.97Å; L111-L127 HydrophobicContact CD2-CD1 4.25Å; L111-L127 HydrophobicContact CG-CD1 4.41Å; L111-L127 PolarHBondContact N-O 2.91Å; L111-L127 PolarHBondContact O-N 3.32Å; I113-L127 HydrophobicContact CD1-CD2 3.74Å; I113-L127 HydrophobicContact CD1-CG 4.27Å; R125-L127 HydrophobicContact CG-CD2 4.14Å; L127-I129 HydrophobicContact CD1-CG1 4.19Å; L127-L132 HydrophobicContact CB-CD1 4.04Å; L127-L132 HydrophobicContact CD1-CD1 3.9Å; L127-L132 HydrophobicContact CD2-CD1 3.76Å; L127-L132 HydrophobicContact CG-CD1 4.11Å |
| 128 | L | 95.1 | Very high | 94.1 | Very high | 64 Ų | 64 | 45.6 Ų | 45.6 | 34% | 0.335 | 25% | 0.252 | S | S | . | . | trans | -114.3 | 137.5 | 165.7 | -68 | 172.7 | 0 | 0 | 0 | 107.8 | Q110 E130 L131 | Q110-L128 HydrophobicContact CB-CD2 4.42Å; L128-E130 HydrophobicContact CB-CG 4.43Å; L128-L131 HydrophobicContact CB-CD1 4.24Å; L128-L131 HydrophobicContact CB-CG 4.22Å; L128-L131 HydrophobicContact CD1-CD1 3.99Å | ||
| 129 | I | 94.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -73 | -36.7 | -175.5 | -63.5 | -177.7 | 0 | 0 | 0 | 110.5 | A47 F53 Y76 V105 L111 L127 L131 L132 | A47-I129 HydrophobicContact CB-CG2 4.13Å; F53-I129 HydrophobicContact CB-CD1 4.3Å; F53-I129 HydrophobicContact CB-CG2 4.5Å; F53-I129 HydrophobicContact CD1-CD1 4.13Å; F53-I129 HydrophobicContact CD1-CG1 4.32Å; F53-I129 HydrophobicContact CD2-CB 4.46Å; F53-I129 HydrophobicContact CD2-CD1 4.46Å; F53-I129 HydrophobicContact CD2-CG1 4.17Å; F53-I129 HydrophobicContact CD2-CG2 3.79Å; F53-I129 HydrophobicContact CE1-CG1 4.32Å; F53-I129 HydrophobicContact CE2-CG1 4.16Å; F53-I129 HydrophobicContact CE2-CG2 4.23Å; F53-I129 HydrophobicContact CG-CD1 4.08Å; F53-I129 HydrophobicContact CG-CG1 4.24Å; F53-I129 HydrophobicContact CG-CG2 4.29Å; F53-I129 HydrophobicContact CZ-CG1 4.22Å; Y76-I129 HydrophobicContact CE1-CD1 4.2Å; V105-I129 HydrophobicContact CB-CD1 3.86Å; V105-I129 HydrophobicContact CG1-CD1 4.19Å; L111-I129 HydrophobicContact CD2-CD1 3.92Å; L111-I129 HydrophobicContact CD2-CG1 4.18Å; L127-I129 HydrophobicContact CD1-CG1 4.19Å; I129-L131 PolarHBondContact O-N 3.38Å; I129-L131 VanDerWaalsContact O-N 3.12Å; I129-L132 PolarHBondContact O-N 2.98Å |
| 130 | E | 93.6 | Very high | 94.2 | Very high | 9 Ų | 9 | 47.8 Ų | 47.8 | 4% | 0.042 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -64 | -13.6 | -178.7 | 59 | -86.1 | -167.3 | 0 | 0 | 115.2 | F108 L128 Y217 D218 | F108-E130 WeakPolarHBondContact CA-OE1 3.42Å; F108-E130 HydrophobicContact CD1-CG 3.9Å; F108-E130 HydrophobicContact CE1-CB 4.09Å; F108-E130 HydrophobicContact CE1-CG 3.86Å; F108-E130 PolarHBondContact N-OE1 3.49Å; F108-E130 VanDerWaalsContact N-OE1 3.15Å; F108-E130 PolarHBondContact N-OE2 2.97Å; L128-E130 HydrophobicContact CB-CG 4.43Å; E130-Y217 HydrophobicContact CB-CD1 3.88Å; E130-Y217 HydrophobicContact CB-CE1 4.27Å; E130-Y217 VanDerWaalsContact O-CA 3.3Å; E130-Y217 WeakPolarHBondContact O-CA 3.49Å; E130-D218 PolarHBondContact O-N 3.46Å |
| 131 | L | 94.4 | Very high | 94.3 | Very high | 69 Ų | 69 | 42.6 Ų | 42.6 | 36% | 0.361 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -104.3 | 16 | 178.9 | -52.3 | -178.6 | 0 | 0 | 0 | 113.3 | L128 I129 D218 | L128-L131 HydrophobicContact CB-CD1 4.24Å; L128-L131 HydrophobicContact CB-CG 4.22Å; L128-L131 HydrophobicContact CD1-CD1 3.99Å; I129-L131 PolarHBondContact O-N 3.38Å; I129-L131 VanDerWaalsContact O-N 3.12Å; L131-D218 CarbonylContact C-O 3.56Å; L131-D218 WeakPolarHBondContact CA-O 3.4Å; L131-D218 HydrophobicContact CB-CB 4.33Å; L131-D218 HydrophobicContact CD2-CB 3.86Å |
| 132 | L | 95.1 | Very high | 94.3 | Very high | 13 Ų | 13 | 42 Ų | 42 | 7% | 0.068 | 22% | 0.224 | C | C | . | . | trans | -134.9 | 36.1 | -173.2 | -60.9 | 174.7 | 0 | 0 | 0 | 112.2 | C45 F46 A47 F53 L127 I129 D218 Y220 | C45-L132 HydrophobicContact CB-CD1 4.44Å; F46-L132 CarbonylContact C-O 3.53Å; F46-L132 WeakPolarHBondContact CA-O 3.4Å; A47-L132 PolarHBondContact N-O 3.2Å; F53-L132 HydrophobicContact CE2-CB 4.44Å; F53-L132 HydrophobicContact CE2-CD1 4.02Å; F53-L132 HydrophobicContact CZ-CD1 4.08Å; L127-L132 HydrophobicContact CB-CD1 4.04Å; L127-L132 HydrophobicContact CD1-CD1 3.9Å; L127-L132 HydrophobicContact CD2-CD1 3.76Å; L127-L132 HydrophobicContact CG-CD1 4.11Å; I129-L132 PolarHBondContact O-N 2.98Å; L132-D218 PolarHBondContact N-O 3.35Å; L132-Y220 HydrophobicContact CB-CE2 4.32Å; L132-Y220 HydrophobicContact CD2-CE2 3.94Å; L132-Y220 VanDerWaalsContact CD2-OH 3.3Å; L132-Y220 WeakPolarHBondContact CD2-OH 3.33Å | ||
| 133 | F | 94.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 137.9 | 175.9 | -81.9 | -77.6 | 0 | 0 | 0 | 112.2 | A47 M107 L135 M164 L212 Y217 D218 G219 Y220 | A47-F133 HydrophobicContact CB-CD1 4.09Å; A47-F133 HydrophobicContact CB-CE1 3.78Å; A47-F133 HydrophobicContact CB-CZ 4.26Å; A47-F133 CarbonylContact O-C 3.6Å; A47-F133 WeakPolarHBondContact O-CA 3.24Å; A47-F133 VanDerWaalsContact O-CD1 3.31Å; A47-F133 WeakPolarHBondContact O-CD1 3.36Å; M107-F133 HydrophobicContact CE-CE2 4.28Å; M107-F133 HydrophobicContact CE-CZ 3.64Å; F133-L135 HydrophobicContact CB-CD2 4.08Å; F133-L135 HydrophobicContact CD1-CD2 3.93Å; F133-L135 HydrophobicContact CG-CD2 4.38Å; F133-M164 HydrophobicContact CD1-CE 4.41Å; F133-M164 HydrophobicContact CD2-CE 3.86Å; F133-M164 HydrophobicContact CE1-CE 3.93Å; F133-M164 HydrophobicContact CE2-CE 3.27Å; F133-M164 HydrophobicContact CG-CE 4.4Å; F133-M164 HydrophobicContact CZ-CE 3.35Å; F133-L212 HydrophobicContact CB-CD1 3.86Å; F133-L212 HydrophobicContact CB-CG 4.39Å; F133-L212 HydrophobicContact CD1-CD1 4.42Å; F133-L212 HydrophobicContact CD2-CD1 3.71Å; F133-L212 HydrophobicContact CE2-CD1 4.46Å; F133-L212 HydrophobicContact CG-CD1 3.7Å; F133-Y217 HydrophobicContact CE2-CD1 4.05Å; F133-D218 PolarHBondContact N-O 3.2Å; F133-D218 VanDerWaalsContact N-O 3.07Å; F133-G219 CarbonylContact O-C 3.58Å; F133-G219 WeakPolarHBondContact O-CA 3.44Å; F133-Y220 PolarHBondContact O-N 2.77Å |
| 134 | L | 95.6 | Very high | 94.1 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 98.5 | 166.8 | 174.6 | 55.3 | 0 | 0 | 0 | 108 | K31 L35 F46 A47 Y220 | K31-L134 HydrophobicContact CB-CD2 3.67Å; K31-L134 HydrophobicContact CB-CG 4.48Å; K31-L134 HydrophobicContact CG-CD2 3.89Å; K31-L134 HydrophobicContact CG-CG 4.17Å; L35-L134 HydrophobicContact CD1-CD2 3.67Å; L35-L134 HydrophobicContact CD2-CD2 4.22Å; L35-L134 HydrophobicContact CG-CD2 3.78Å; F46-L134 HydrophobicContact CB-CB 3.81Å; F46-L134 HydrophobicContact CD2-CB 3.93Å; F46-L134 HydrophobicContact CD2-CD2 4.33Å; F46-L134 HydrophobicContact CG-CB 4.1Å; F46-L134 HydrophobicContact CG-CD2 4.3Å; A47-L134 PolarHBondContact O-N 3.08Å; L134-Y220 HydrophobicContact CB-CD2 4.44Å |
| 135 | L | 93.5 | Very high | 93.8 | Very high | 4 Ų | 4 | 38.3 Ų | 38.3 | 2% | 0.021 | 22% | 0.215 | C | C | . | . | P | Polyproline II helix | trans | -82.9 | 157.7 | -171.4 | -54.1 | -167.7 | 0 | 0 | 0 | 112.2 | F133 P159 L161 V210 L212 S222 | F133-L135 HydrophobicContact CB-CD2 4.08Å; F133-L135 HydrophobicContact CD1-CD2 3.93Å; F133-L135 HydrophobicContact CG-CD2 4.38Å; L135-P159 HydrophobicContact CD1-CG 4.37Å; L135-L161 HydrophobicContact CD1-CD1 3.75Å; L135-L161 HydrophobicContact CD2-CD1 3.58Å; L135-L161 HydrophobicContact CG-CD1 4.31Å; L135-V210 HydrophobicContact CB-CG1 3.91Å; L135-V210 HydrophobicContact CD1-CG1 4.23Å; L135-V210 HydrophobicContact CD1-CG2 4.33Å; L135-L212 HydrophobicContact CD1-CD2 4.09Å; L135-L212 HydrophobicContact CD1-CG 4.12Å; L135-S222 WeakPolarHBondContact O-CB 3.24Å |
| 136 | D | 92.4 | Very high | 93.3 | Very high | 48 Ų | 48 | 39.3 Ų | 39.3 | 26% | 0.257 | 22% | 0.224 | S | C | . | . | P | Polyproline II helix | trans | -58.9 | 147.1 | 163 | -85.7 | 11 | 0 | 0 | 0 | 111 | K31 K139 V210 | K31-D136 WeakPolarHBondContact CE-OD1 3.49Å; K31-D136 IonicContact NZ-OD1 2.64Å; K31-D136 PolarHBondContact NZ-OD1 2.93Å; D136-K139 WeakPolarHBondContact OD2-CE 3.19Å; D136-K139 IonicContact OD2-NZ 3.73Å; D136-K139 PolarHBondContact OD2-NZ 3.14Å; D136-V210 WeakPolarHBondContact O-CG1 3.49Å |
| 137 | P | 93.8 | Very high | 92.7 | Very high | 22 Ų | 22 | 38.9 Ų | 38.9 | 14% | 0.143 | 23% | 0.23 | C | C | . | . | P | Polyproline II helix | trans | -56.6 | 146.7 | 167.6 | 23.5 | -32.8 | 0 | 0 | 0 | 111.5 | K139 A223 | P137-K139 PolarHBondContact O-N 3.41Å; P137-A223 WeakPolarHBondContact CB-O 3.03Å |
| 138 | P | 93.8 | Very high | 92.1 | Very high | 6 Ų | 6 | 43.7 Ų | 43.7 | 4% | 0.039 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -55.5 | 139 | 174.4 | -27.1 | 37.2 | 0 | 0 | 0 | 112.3 | W156 Y170 V208 V210 | P138-W156 HydrophobicContact CB-CB 4.1Å; P138-W156 HydrophobicContact CB-CG 4.06Å; P138-Y170 HydrophobicContact CG-CD1 3.95Å; P138-Y170 HydrophobicContact CG-CE1 3.92Å; P138-V208 HydrophobicContact CG-CB 4.44Å; P138-V208 HydrophobicContact CG-CG1 4.03Å; P138-V210 HydrophobicContact CG-CB 4.02Å; P138-V210 HydrophobicContact CG-CG1 4.19Å |
| 139 | K | 90.5 | Very high | 91.4 | Very high | 119 Ų | 119 | 44.6 Ų | 44.6 | 52% | 0.517 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 156.2 | -174.4 | -67.8 | 170.3 | -172.1 | 170.5 | 0 | 110.1 | D136 P137 V141 V157 | D136-K139 WeakPolarHBondContact OD2-CE 3.19Å; D136-K139 IonicContact OD2-NZ 3.73Å; D136-K139 PolarHBondContact OD2-NZ 3.14Å; P137-K139 PolarHBondContact O-N 3.41Å; K139-V141 VanDerWaalsContact C-N 3.34Å; K139-V141 PolarHBondContact O-N 2.92Å; K139-V157 WeakPolarHBondContact O-CB 3.14Å; K139-V157 PolarHBondContact O-N 3.44Å |
| 140 | N | 92.6 | Very high | 90.9 | Very high | 123 Ų | 123 | 45 Ų | 45 | 66% | 0.658 | 26% | 0.259 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 51.7 | 48.5 | -175.2 | -55.5 | -12.2 | 0 | 0 | 0 | 112.9 | T142 V157 | N140-T142 PolarHBondContact O-N 2.79Å; N140-V157 HydrophobicContact CB-CG2 4.02Å |
| 141 | V | 94.4 | Very high | 90.8 | Very high | 18 Ų | 18 | 46.5 Ų | 46.5 | 11% | 0.109 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 124.2 | 166.8 | -177.6 | 0 | 0 | 0 | 0 | 107.9 | K139 V154 S155 W156 V208 V228 | K139-V141 VanDerWaalsContact C-N 3.34Å; K139-V141 PolarHBondContact O-N 2.92Å; V141-V154 HydrophobicContact CG1-CG1 4.22Å; V141-S155 CarbonylContact C-O 3.54Å; V141-S155 WeakPolarHBondContact CA-O 3.49Å; V141-W156 HydrophobicContact CG2-CB 4.08Å; V141-V208 HydrophobicContact CG1-CG2 3.84Å; V141-V208 HydrophobicContact CG2-CB 4.18Å; V141-V208 HydrophobicContact CG2-CG2 3.95Å; V141-V228 HydrophobicContact CB-CG2 3.91Å; V141-V228 HydrophobicContact CG1-CG2 3.84Å; V141-V228 WeakPolarHBondContact O-CG2 3.47Å |
| 142 | T | 94.6 | Very high | 90.8 | Very high | 75 Ų | 75 | 43.2 Ų | 43.2 | 46% | 0.46 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 140.2 | 175.6 | 62.2 | 0 | 0 | 0 | 0 | 109.4 | N140 V154 S155 | N140-T142 PolarHBondContact O-N 2.79Å; T142-V154 WeakPolarHBondContact O-CA 3.28Å; T142-S155 PolarHBondContact N-O 3.27Å; T142-S155 PolarHBondContact O-N 3.4Å; T142-S155 PolarHBondContact OG1-O 3.49Å; T142-S155 PolarHBondContact OG1-OG 3.27Å; T142-S155 VanDerWaalsContact OG1-OG 3.14Å |
| 143 | V | 94.6 | Very high | 90.7 | Very high | 24 Ų | 24 | 43.8 Ų | 43.8 | 15% | 0.145 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 131.1 | 176.4 | -167.4 | 0 | 0 | 0 | 0 | 108.7 | L152 N153 V154 V206 V228 T230 | V143-L152 HydrophobicContact CG1-CB 3.9Å; V143-L152 HydrophobicContact CG1-CD1 4.09Å; V143-L152 HydrophobicContact CG1-CD2 4.3Å; V143-L152 HydrophobicContact CG1-CG 4.33Å; V143-N153 CarbonylContact C-O 3.57Å; V143-N153 WeakPolarHBondContact CA-O 3.26Å; V143-V154 HydrophobicContact CG1-CG2 4Å; V143-V154 HydrophobicContact CG2-CG1 4.26Å; V143-V154 HydrophobicContact CG2-CG2 4.18Å; V143-V206 HydrophobicContact CG2-CB 4.03Å; V143-V206 HydrophobicContact CG2-CG1 4.19Å; V143-V206 HydrophobicContact CG2-CG2 4.19Å; V143-V228 HydrophobicContact CB-CG1 4.31Å; V143-V228 HydrophobicContact CG2-CB 4.09Å; V143-V228 HydrophobicContact CG2-CG1 3.8Å; V143-T230 HydrophobicContact CB-CG2 4.09Å; V143-T230 HydrophobicContact CG1-CG2 3.64Å |
| 144 | S | 91.4 | Very high | 90.8 | Very high | 53 Ų | 53 | 43.8 Ų | 43.8 | 37% | 0.371 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 151.9 | -176.8 | 57.7 | 0 | 0 | 0 | 0 | 110.4 | N153 | S144-N153 PolarHBondContact N-O 2.77Å; S144-N153 PolarHBondContact O-N 2.94Å; S144-N153 PolarHBondContact OG-O 2.85Å |
| 145 | S | 88.3 | Confident | 90.8 | Very high | 50 Ų | 50 | 45.1 Ų | 45.1 | 35% | 0.35 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 138 | 170.7 | 179.5 | 0 | 0 | 0 | 0 | 109.6 | G147 L233 | S145-G147 PolarHBondContact O-N 2.87Å; S145-G147 PolarHBondContact OG-N 2.85Å; S145-G147 VanDerWaalsContact OG-N 3.17Å; S145-L233 WeakPolarHBondContact OG-CD1 3.42Å; S145-L233 WeakPolarHBondContact OG-CG 3.42Å |
| 146 | T | 86.3 | Confident | 90.9 | Very high | 45 Ų | 45 | 45.5 Ų | 45.5 | 28% | 0.276 | 26% | 0.262 | S | S | . | . | trans | -75.4 | -3.6 | 171.8 | 56.1 | 0 | 0 | 0 | 0 | 113.2 | H148 Q151 N153 I194 | T146-H148 PolarHBondContact O-N 2.97Å; T146-H148 PolarHBondContact OG1-N 2.85Å; T146-Q151 HydrophobicContact CG2-CB 4.44Å; T146-Q151 VanDerWaalsContact OG1-CB 3.3Å; T146-Q151 WeakPolarHBondContact OG1-CB 3.41Å; T146-N153 HydrophobicContact CG2-CB 3.87Å; T146-I194 HydrophobicContact CG2-CG2 4.06Å | ||
| 147 | G | 82.1 | Confident | 90.9 | Very high | 58 Ų | 58 | 46.9 Ų | 46.9 | 60% | 0.598 | 27% | 0.272 | S | S | * | . | S | Bend | trans | 81.3 | -5.1 | -167.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | S145 | S145-G147 PolarHBondContact O-N 2.87Å; S145-G147 PolarHBondContact OG-N 2.85Å; S145-G147 VanDerWaalsContact OG-N 3.17Å |
| 148 | H | 81.4 | Confident | 90.6 | Very high | 116 Ų | 116 | 47.3 Ų | 47.3 | 54% | 0.537 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -101.2 | 144.6 | 174.4 | -60.1 | -61.2 | 0 | 0 | 0 | 111.6 | T146 Q151 | T146-H148 PolarHBondContact O-N 2.97Å; T146-H148 PolarHBondContact OG1-N 2.85Å; H148-Q151 HydrophobicContact CB-CB 4.31Å; H148-Q151 HydrophobicContact CB-CG 4.32Å |
| 149 | Q | 82.2 | Confident | 90.2 | Very high | 84 Ų | 84 | 48.2 Ų | 48.2 | 39% | 0.393 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | 145.5 | 174.7 | -65.4 | 179.4 | 63.7 | 0 | 0 | 111.5 | Q151 E236 | Q149-Q151 PolarHBondContact O-N 2.87Å; Q149-Q151 VanDerWaalsContact O-N 3.16Å; Q149-E236 HydrophobicContact CG-CB 4.5Å |
| 150 | G | 84.7 | Confident | 89.8 | Confident | 9 Ų | 9 | 49.1 Ų | 49.1 | 9% | 0.093 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.8 | 21.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | R196 G197 L198 | G150-R196 CarbonylContact O-C 3.53Å; G150-G197 PolarHBondContact O-N 2.87Å; G150-L198 WeakPolarHBondContact CA-O 3.33Å; G150-L198 PolarHBondContact O-N 2.83Å |
| 151 | Q | 90.9 | Very high | 89.3 | Confident | 40 Ų | 40 | 44 Ų | 44 | 19% | 0.187 | 27% | 0.272 | C | S | . | . | trans | -130.6 | 141 | -179.5 | -67.7 | 179.9 | 41 | 0 | 0 | 112.3 | T146 H148 Q149 L195 R196 | T146-Q151 HydrophobicContact CG2-CB 4.44Å; T146-Q151 VanDerWaalsContact OG1-CB 3.3Å; T146-Q151 WeakPolarHBondContact OG1-CB 3.41Å; H148-Q151 HydrophobicContact CB-CB 4.31Å; H148-Q151 HydrophobicContact CB-CG 4.32Å; Q149-Q151 PolarHBondContact O-N 2.87Å; Q149-Q151 VanDerWaalsContact O-N 3.16Å; Q151-L195 VanDerWaalsContact CA-O 3.3Å; Q151-L195 WeakPolarHBondContact CA-O 3.48Å; Q151-R196 HydrophobicContact CG-CG 4.34Å | ||
| 152 | L | 93.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 133.4 | 173.4 | -68.7 | 175 | 0 | 0 | 0 | 109.2 | V143 I194 L195 L198 T230 T232 | V143-L152 HydrophobicContact CG1-CB 3.9Å; V143-L152 HydrophobicContact CG1-CD1 4.09Å; V143-L152 HydrophobicContact CG1-CD2 4.3Å; V143-L152 HydrophobicContact CG1-CG 4.33Å; L152-I194 CarbonylContact O-C 3.53Å; L152-I194 WeakPolarHBondContact O-CA 3.31Å; L152-L195 PolarHBondContact N-O 2.92Å; L152-L195 PolarHBondContact O-N 3.05Å; L152-L198 HydrophobicContact CB-CD1 3.93Å; L152-L198 HydrophobicContact CD1-CD1 3.56Å; L152-L198 HydrophobicContact CG-CD1 3.59Å; L152-T230 HydrophobicContact CD1-CG2 3.51Å; L152-T230 HydrophobicContact CD2-CG2 3.89Å; L152-T230 HydrophobicContact CG-CG2 4.35Å; L152-T232 HydrophobicContact CD1-CG2 4.09Å; L152-T232 HydrophobicContact CD2-CG2 4.42Å; L152-T232 HydrophobicContact CG-CG2 4.15Å |
| 153 | N | 94.3 | Very high | 88 | Confident | 24 Ų | 24 | 56.6 Ų | 56.6 | 13% | 0.128 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 118.9 | 169.9 | -174.6 | 28.9 | 0 | 0 | 0 | 109.5 | V143 S144 T146 E192 M193 I194 | V143-N153 CarbonylContact C-O 3.57Å; V143-N153 WeakPolarHBondContact CA-O 3.26Å; S144-N153 PolarHBondContact N-O 2.77Å; S144-N153 PolarHBondContact O-N 2.94Å; S144-N153 PolarHBondContact OG-O 2.85Å; T146-N153 HydrophobicContact CG2-CB 3.87Å; N153-E192 PolarHBondContact ND2-OE1 3.25Å; N153-E192 VanDerWaalsContact OD1-CG 3.26Å; N153-E192 WeakPolarHBondContact OD1-CG 3.28Å; N153-M193 PolarHBondContact OD1-O 3.25Å; N153-I194 HydrophobicContact CB-CG1 4.48Å |
| 154 | V | 96.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 123 | 179 | -175.3 | 0 | 0 | 0 | 0 | 107.6 | V141 T142 V143 W156 V172 E192 M193 L195 V206 V208 | V141-V154 HydrophobicContact CG1-CG1 4.22Å; T142-V154 WeakPolarHBondContact O-CA 3.28Å; V143-V154 HydrophobicContact CG1-CG2 4Å; V143-V154 HydrophobicContact CG2-CG1 4.26Å; V143-V154 HydrophobicContact CG2-CG2 4.18Å; V154-W156 HydrophobicContact CB-CZ3 4.27Å; V154-W156 HydrophobicContact CG1-CE3 3.94Å; V154-W156 HydrophobicContact CG1-CZ3 3.86Å; V154-W156 WeakPolarHBondContact O-CZ3 3.49Å; V154-V172 HydrophobicContact CG1-CG1 4.32Å; V154-E192 CarbonylContact O-C 3.5Å; V154-E192 WeakPolarHBondContact O-CA 3.24Å; V154-M193 PolarHBondContact N-O 3.34Å; V154-M193 PolarHBondContact O-N 3.33Å; V154-L195 HydrophobicContact CG2-CD1 3.68Å; V154-L195 HydrophobicContact CG2-CG 3.85Å; V154-V206 HydrophobicContact CG1-CG1 3.89Å; V154-V206 HydrophobicContact CG2-CG1 3.96Å; V154-V208 HydrophobicContact CG1-CG2 4.18Å |
| 155 | S | 95.7 | Very high | 87.2 | Confident | 30 Ų | 30 | 56.7 Ų | 56.7 | 21% | 0.21 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 151.4 | 176.5 | 63.1 | 0 | 0 | 0 | 0 | 112 | V141 T142 S191 | V141-S155 CarbonylContact C-O 3.54Å; V141-S155 WeakPolarHBondContact CA-O 3.49Å; T142-S155 PolarHBondContact N-O 3.27Å; T142-S155 PolarHBondContact O-N 3.4Å; T142-S155 PolarHBondContact OG1-O 3.49Å; T142-S155 PolarHBondContact OG1-OG 3.27Å; T142-S155 VanDerWaalsContact OG1-OG 3.14Å; S155-S191 VanDerWaalsContact CA-O 3.31Å; S155-S191 WeakPolarHBondContact CA-O 3.48Å |
| 156 | W | 95 | Very high | 87 | Confident | 11 Ų | 11 | 60.6 Ų | 60.6 | 4% | 0.042 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 166 | -172.6 | 54.6 | 91.5 | 0 | 0 | 0 | 112 | P138 V141 V154 Y170 V172 I187 C190 S191 M193 V208 | P138-W156 HydrophobicContact CB-CB 4.1Å; P138-W156 HydrophobicContact CB-CG 4.06Å; V141-W156 HydrophobicContact CG2-CB 4.08Å; V154-W156 HydrophobicContact CB-CZ3 4.27Å; V154-W156 HydrophobicContact CG1-CE3 3.94Å; V154-W156 HydrophobicContact CG1-CZ3 3.86Å; V154-W156 WeakPolarHBondContact O-CZ3 3.49Å; W156-Y170 AromaticContact CD1-CE1 3.77Å; W156-Y170 AromaticContact CE2-CD1 3.82Å; W156-Y170 AromaticContact CE2-CG 3.88Å; W156-Y170 HydrophobicContact CZ2-CD1 4.11Å; W156-Y170 HydrophobicContact CZ2-CD2 4.06Å; W156-Y170 AromaticContact CZ2-CG 3.69Å; W156-Y170 HydrophobicContact CZ2-CG 3.69Å; W156-Y170 AromaticContact NE1-CD1 3.14Å; W156-Y170 AromaticContact NE1-CD2 3.94Å; W156-Y170 AromaticContact NE1-CE1 3.14Å; W156-Y170 AromaticContact NE1-CE2 3.97Å; W156-Y170 AromaticContact NE1-CG 3.55Å; W156-Y170 AromaticContact NE1-CZ 3.59Å; W156-V172 HydrophobicContact CH2-CG2 3.73Å; W156-V172 HydrophobicContact CZ3-CG2 3.87Å; W156-I187 HydrophobicContact CH2-CG2 3.99Å; W156-I187 HydrophobicContact CZ2-CG2 4.03Å; W156-C190 WeakPolarHBondContact CZ2-O 3.11Å; W156-S191 PolarHBondContact N-O 2.84Å; W156-S191 WeakPolarHBondContact O-CB 3.4Å; W156-M193 HydrophobicContact CH2-CB 4Å; W156-M193 HydrophobicContact CZ3-CB 4.2Å; W156-V208 HydrophobicContact CD2-CG1 3.96Å; W156-V208 HydrophobicContact CD2-CG2 4.33Å; W156-V208 HydrophobicContact CE3-CG1 4.24Å; W156-V208 HydrophobicContact CE3-CG2 3.96Å; W156-V208 HydrophobicContact CG-CG1 4.4Å; W156-V208 HydrophobicContact CZ2-CG1 4.24Å; W156-V208 HydrophobicContact CZ3-CG2 4.35Å |
| 157 | V | 91.9 | Very high | 87.1 | Confident | 77 Ų | 77 | 59.7 Ų | 59.7 | 47% | 0.467 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 119 | 172.6 | 179.4 | 0 | 0 | 0 | 0 | 109.4 | K139 N140 | K139-V157 WeakPolarHBondContact O-CB 3.14Å; K139-V157 PolarHBondContact O-N 3.44Å; N140-V157 HydrophobicContact CB-CG2 4.02Å |
| 158 | A | 87.8 | Confident | 87.6 | Confident | 32 Ų | 32 | 57 Ų | 57 | 26% | 0.264 | 30% | 0.295 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 143.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | T160 M168 Y170 | A158-T160 PolarHBondContact O-N 3.41Å; A158-M168 HydrophobicContact CB-SD 4.46Å; A158-Y170 VanDerWaalsContact CB-OH 3.25Å; A158-Y170 WeakPolarHBondContact CB-OH 3.45Å |
| 159 | P | 86.7 | Confident | 88.2 | Confident | 25 Ų | 25 | 52.6 Ų | 52.6 | 16% | 0.162 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -58.2 | 131.5 | 171.9 | -22.7 | 33.6 | 0 | 0 | 0 | 111.5 | L135 L161 M168 V210 | L135-P159 HydrophobicContact CD1-CG 4.37Å; P159-L161 VanDerWaalsContact C-N 3.29Å; P159-L161 HydrophobicContact CB-CD1 4.4Å; P159-L161 PolarHBondContact O-N 3.2Å; P159-M168 WeakPolarHBondContact O-CE 3.49Å; P159-V210 HydrophobicContact CG-CG1 4.18Å |
| 160 | T | 80.6 | Confident | 88.9 | Confident | 137 Ų | 137 | 48.8 Ų | 48.8 | 84% | 0.84 | 26% | 0.257 | S | S | * | . | trans | -79.6 | 69.5 | -171.9 | 58.4 | 0 | 0 | 0 | 0 | 113 | A158 | A158-T160 PolarHBondContact O-N 3.41Š| ||
| 161 | L | 83.4 | Confident | 89.4 | Confident | 17 Ų | 17 | 49.8 Ų | 49.8 | 9% | 0.089 | 26% | 0.259 | C | S | . | . | trans | -109 | 101.4 | -177.1 | -71.6 | 170.3 | 0 | 0 | 0 | 111.6 | L135 P159 Y163 M164 M168 | L135-L161 HydrophobicContact CD1-CD1 3.75Å; L135-L161 HydrophobicContact CD2-CD1 3.58Å; L135-L161 HydrophobicContact CG-CD1 4.31Å; P159-L161 VanDerWaalsContact C-N 3.29Å; P159-L161 HydrophobicContact CB-CD1 4.4Å; P159-L161 PolarHBondContact O-N 3.2Å; L161-Y163 PolarHBondContact O-N 3.36Å; L161-M164 HydrophobicContact CB-CB 4.03Å; L161-M164 HydrophobicContact CB-SD 3.75Å; L161-M164 HydrophobicContact CD1-SD 4.01Å; L161-M164 HydrophobicContact CD2-SD 4.38Å; L161-M164 HydrophobicContact CG-SD 4.27Å; L161-M164 PolarHBondContact O-N 3.35Å; L161-M168 HydrophobicContact CB-CE 3.91Å; L161-M168 HydrophobicContact CD1-CE 4.39Å | ||
| 162 | K | 80.5 | Confident | 89.7 | Confident | 161 Ų | 161 | 47.9 Ų | 47.9 | 70% | 0.7 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | 127.2 | -176.9 | -62.2 | -171.6 | 177 | -170.1 | 0 | 112.6 | K50 | K50-K162 WeakPolarHBondContact CE-O 3.48Å; K50-K162 PolarHBondContact NZ-O 2.88Å |
| 163 | Y | 80.5 | Confident | 89.8 | Confident | 195 Ų | 195 | 48.5 Ų | 48.5 | 77% | 0.765 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.1 | 48.3 | 177.7 | -35.1 | -76.8 | 0 | 0 | 0 | 111.6 | K50 L161 D165 Y217 | K50-Y163 PolarHBondContact NZ-O 2.94Å; K50-Y163 VanDerWaalsContact NZ-O 3.14Å; L161-Y163 PolarHBondContact O-N 3.36Å; Y163-D165 PolarHBondContact N-OD2 3.28Å; Y163-Y217 WeakPolarHBondContact O-CE2 3.27Å |
| 164 | M | 85.6 | Confident | 89.8 | Confident | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.01 | 25% | 0.25 | C | C | . | . | trans | -143.9 | -9.3 | 173.5 | -89.7 | 161.5 | 162.7 | 0 | 0 | 112.7 | K50 F133 L161 D166 S167 M168 L212 Y217 | K50-M164 HydrophobicContact CD-CE 4.41Å; K50-M164 HydrophobicContact CD-SD 4.48Å; K50-M164 WeakPolarHBondContact CE-SD 3.39Å; K50-M164 HydrophobicContact CG-CE 4.32Å; K50-M164 HydrophobicContact CG-SD 4.49Å; F133-M164 HydrophobicContact CD1-CE 4.41Å; F133-M164 HydrophobicContact CD2-CE 3.86Å; F133-M164 HydrophobicContact CE1-CE 3.93Å; F133-M164 HydrophobicContact CE2-CE 3.27Å; F133-M164 HydrophobicContact CG-CE 4.4Å; F133-M164 HydrophobicContact CZ-CE 3.35Å; L161-M164 HydrophobicContact CB-CB 4.03Å; L161-M164 HydrophobicContact CB-SD 3.75Å; L161-M164 HydrophobicContact CD1-SD 4.01Å; L161-M164 HydrophobicContact CD2-SD 4.38Å; L161-M164 HydrophobicContact CG-SD 4.27Å; L161-M164 PolarHBondContact O-N 3.35Å; M164-D166 VanDerWaalsContact C-N 3.32Å; M164-D166 PolarHBondContact O-N 3.44Å; M164-S167 WeakPolarHBondContact O-CA 3.24Å; M164-S167 WeakPolarHBondContact O-CB 3.44Å; M164-S167 PolarHBondContact O-N 3.38Å; M164-M168 HydrophobicContact CB-CE 4.14Å; M164-M168 PolarHBondContact O-N 3.35Å; M164-L212 HydrophobicContact CB-CD2 4.4Å; M164-L212 HydrophobicContact CE-CD1 3.69Å; M164-L212 HydrophobicContact CG-CD1 4.13Å; M164-L212 HydrophobicContact SD-CD1 3.94Å; M164-Y217 HydrophobicContact CE-CD1 3.34Å; M164-Y217 HydrophobicContact CE-CD2 4.06Å; M164-Y217 HydrophobicContact CE-CE1 3.69Å; M164-Y217 HydrophobicContact CE-CE2 4.38Å; M164-Y217 HydrophobicContact CE-CG 3.53Å; M164-Y217 HydrophobicContact CG-CD2 3.7Å; M164-Y217 HydrophobicContact CG-CE2 3.99Å; M164-Y217 HydrophobicContact CG-CG 4.05Å | ||
| 165 | D | 83.8 | Confident | 89.7 | Confident | 77 Ų | 77 | 48 Ų | 48 | 41% | 0.412 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -58.3 | -41.9 | -168.1 | -45 | -101.6 | 0 | 0 | 0 | 111.8 | Y163 S167 M168 | Y163-D165 PolarHBondContact N-OD2 3.28Å; D165-S167 PolarHBondContact O-N 2.98Å; D165-M168 PolarHBondContact O-N 3.37Å |
| 166 | D | 84.3 | Confident | 89.5 | Confident | 133 Ų | 133 | 48.3 Ų | 48.3 | 71% | 0.711 | 25% | 0.252 | S | S | * | . | G | 310 helix | trans | -69.2 | -18.1 | 176.4 | -47.9 | -51.2 | 0 | 0 | 0 | 113.7 | M164 | M164-D166 VanDerWaalsContact C-N 3.32Å; M164-D166 PolarHBondContact O-N 3.44Å |
| 167 | S | 89.1 | Confident | 89.3 | Confident | 26 Ų | 26 | 49.2 Ų | 49.2 | 18% | 0.182 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -95.6 | -2 | 178.1 | -52 | 0 | 0 | 0 | 0 | 113 | M164 D165 L212 D213 | M164-S167 WeakPolarHBondContact O-CA 3.24Å; M164-S167 WeakPolarHBondContact O-CB 3.44Å; M164-S167 PolarHBondContact O-N 3.38Å; D165-S167 PolarHBondContact O-N 2.98Å; S167-L212 WeakPolarHBondContact O-CA 3.04Å; S167-D213 PolarHBondContact O-N 2.89Å |
| 168 | M | 92 | Very high | 89 | Confident | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 127.7 | 177.8 | -64.8 | 176.2 | -168.7 | 0 | 0 | 110.7 | A158 P159 L161 M164 D165 Y170 A189 V210 N211 L212 | A158-M168 HydrophobicContact CB-SD 4.46Å; P159-M168 WeakPolarHBondContact O-CE 3.49Å; L161-M168 HydrophobicContact CB-CE 3.91Å; L161-M168 HydrophobicContact CD1-CE 4.39Å; M164-M168 HydrophobicContact CB-CE 4.14Å; M164-M168 PolarHBondContact O-N 3.35Å; D165-M168 PolarHBondContact O-N 3.37Å; M168-Y170 HydrophobicContact CB-CE2 3.8Å; M168-Y170 PolarHBondContact SD-OH 2.89Å; M168-A189 PolarHBondContact O-N 2.94Å; M168-V210 HydrophobicContact CB-CG2 4.38Å; M168-N211 WeakPolarHBondContact CA-O 3.39Å; M168-L212 HydrophobicContact CB-CD2 4.45Å; M168-L212 HydrophobicContact CG-CD2 3.63Å |
| 169 | I | 94.4 | Very high | 88.9 | Confident | 24 Ų | 24 | 53 Ų | 53 | 12% | 0.123 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 144.1 | 164.2 | 60.2 | 165.2 | 0 | 0 | 0 | 109.6 | Q188 V210 N211 D213 W221 | I169-Q188 HydrophobicContact CG2-CB 4.04Å; I169-Q188 HydrophobicContact CG2-CG 3.87Å; I169-V210 CarbonylContact O-C 3.55Å; I169-V210 WeakPolarHBondContact O-CA 3.45Å; I169-V210 WeakPolarHBondContact O-CG2 3.05Å; I169-N211 HydrophobicContact CD1-CB 4.26Å; I169-N211 HydrophobicContact CG1-CB 3.89Å; I169-N211 PolarHBondContact N-O 3.45Å; I169-N211 PolarHBondContact O-N 3.13Å; I169-D213 HydrophobicContact CD1-CB 3.51Å; I169-D213 HydrophobicContact CG1-CB 3.77Å; I169-D213 HydrophobicContact CG2-CB 3.97Å; I169-W221 HydrophobicContact CB-CH2 4.42Å; I169-W221 HydrophobicContact CD1-CH2 3.53Å; I169-W221 HydrophobicContact CD1-CZ2 3.52Å; I169-W221 HydrophobicContact CD1-CZ3 4.48Å; I169-W221 HydrophobicContact CG1-CH2 3.73Å; I169-W221 HydrophobicContact CG1-CZ2 4.21Å; I169-W221 HydrophobicContact CG1-CZ3 4.3Å |
| 170 | Y | 95.6 | Very high | 88.5 | Confident | 4 Ų | 4 | 57.9 Ų | 57.9 | 2% | 0.016 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 145 | 178.8 | -59.9 | -88.2 | 0 | 0 | 0 | 109.7 | P138 W156 A158 M168 A186 I187 C190 V208 R209 V210 | P138-Y170 HydrophobicContact CG-CD1 3.95Å; P138-Y170 HydrophobicContact CG-CE1 3.92Å; W156-Y170 AromaticContact CD1-CE1 3.77Å; W156-Y170 AromaticContact CE2-CD1 3.82Å; W156-Y170 AromaticContact CE2-CG 3.88Å; W156-Y170 HydrophobicContact CZ2-CD1 4.11Å; W156-Y170 HydrophobicContact CZ2-CD2 4.06Å; W156-Y170 AromaticContact CZ2-CG 3.69Å; W156-Y170 HydrophobicContact CZ2-CG 3.69Å; W156-Y170 AromaticContact NE1-CD1 3.14Å; W156-Y170 AromaticContact NE1-CD2 3.94Å; W156-Y170 AromaticContact NE1-CE1 3.14Å; W156-Y170 AromaticContact NE1-CE2 3.97Å; W156-Y170 AromaticContact NE1-CG 3.55Å; W156-Y170 AromaticContact NE1-CZ 3.59Å; A158-Y170 VanDerWaalsContact CB-OH 3.25Å; A158-Y170 WeakPolarHBondContact CB-OH 3.45Å; M168-Y170 HydrophobicContact CB-CE2 3.8Å; M168-Y170 PolarHBondContact SD-OH 2.89Å; Y170-A186 CarbonylContact O-C 3.54Å; Y170-A186 VanDerWaalsContact O-CA 3.3Å; Y170-A186 WeakPolarHBondContact O-CA 3.47Å; Y170-I187 PolarHBondContact N-O 3.5Å; Y170-I187 PolarHBondContact O-N 2.92Å; Y170-C190 VanDerWaalsContact CD2-O 3.28Å; Y170-C190 WeakPolarHBondContact CD2-O 3.41Å; Y170-V208 HydrophobicContact CD1-CG1 4.31Å; Y170-R209 VanDerWaalsContact CA-O 3.27Å; Y170-R209 WeakPolarHBondContact CA-O 3.28Å; Y170-V210 HydrophobicContact CD1-CB 3.69Å; Y170-V210 HydrophobicContact CD1-CG2 3.7Å; Y170-V210 HydrophobicContact CE1-CB 3.69Å; Y170-V210 HydrophobicContact CE1-CG2 3.38Å; Y170-V210 HydrophobicContact CG-CG2 4.44Å |
| 171 | E | 96.4 | Very high | 88.6 | Confident | 29 Ų | 29 | 55.1 Ų | 55.1 | 14% | 0.136 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 132.3 | 166 | -91.2 | -179.6 | -167.3 | 0 | 0 | 109 | V184 E185 A186 V208 R209 W221 W224 | E171-V184 HydrophobicContact CB-CG1 3.88Å; E171-V184 HydrophobicContact CG-CG1 3.67Å; E171-E185 CarbonylContact C-O 3.53Å; E171-E185 WeakPolarHBondContact CA-O 3.34Å; E171-A186 HydrophobicContact CG-CB 4.15Å; E171-V208 CarbonylContact O-C 3.55Å; E171-V208 WeakPolarHBondContact O-CA 3.47Å; E171-R209 HydrophobicContact CB-CG 3.86Å; E171-R209 PolarHBondContact N-O 3Å; E171-R209 PolarHBondContact O-N 3.49Å; E171-R209 IonicContact OE1-NH2 3.23Å; E171-R209 PolarHBondContact OE1-NH2 3.33Å; E171-R209 IonicContact OE2-CZ 3.83Å; E171-R209 IonicContact OE2-NE 2.8Å; E171-R209 PolarHBondContact OE2-NE 3.47Å; E171-R209 IonicContact OE2-NH2 2.8Å; E171-R209 PolarHBondContact OE2-NH2 3.42Å; E171-W221 HydrophobicContact CB-CH2 4.03Å; E171-W221 HydrophobicContact CB-CZ3 4.04Å; E171-W221 HydrophobicContact CG-CH2 3.56Å; E171-W221 HydrophobicContact CG-CZ2 3.9Å; E171-W221 HydrophobicContact CG-CZ3 4.08Å; E171-W221 WeakPolarHBondContact OE1-CZ2 3.27Å; E171-W224 HydrophobicContact CB-CH2 4.05Å; E171-W224 HydrophobicContact CB-CZ3 4.28Å |
| 172 | V | 96.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 108.8 | 174 | -174.7 | 0 | 0 | 0 | 0 | 108.2 | V154 W156 V184 E185 L195 V206 Q207 V208 | V154-V172 HydrophobicContact CG1-CG1 4.32Å; W156-V172 HydrophobicContact CH2-CG2 3.73Å; W156-V172 HydrophobicContact CZ3-CG2 3.87Å; V172-V184 WeakPolarHBondContact O-CA 3.39Å; V172-E185 PolarHBondContact N-O 3.42Å; V172-E185 PolarHBondContact O-N 2.93Å; V172-L195 HydrophobicContact CG1-CD1 4.43Å; V172-L195 HydrophobicContact CG1-CD2 4.14Å; V172-V206 HydrophobicContact CG1-CG1 3.83Å; V172-Q207 WeakPolarHBondContact CA-O 3.43Å; V172-V208 HydrophobicContact CG2-CG1 4.39Å; V172-V208 HydrophobicContact CG2-CG2 4.34Å |
| 173 | L | 95.2 | Very high | 89.2 | Confident | 13 Ų | 13 | 52.4 Ų | 52.4 | 7% | 0.068 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 126.6 | 170 | 170.4 | 68.8 | 0 | 0 | 0 | 108.7 | Q183 V184 V206 Q207 W224 | L173-Q183 WeakPolarHBondContact CA-O 3.35Å; L173-V184 HydrophobicContact CB-CG2 4.3Å; L173-V184 HydrophobicContact CD1-CG2 3.69Å; L173-V206 CarbonylContact O-C 3.51Å; L173-V206 WeakPolarHBondContact O-CA 3.46Å; L173-Q207 HydrophobicContact CB-CB 4.43Å; L173-Q207 PolarHBondContact N-O 3.38Å; L173-Q207 PolarHBondContact O-N 2.85Å; L173-W224 HydrophobicContact CB-CD2 4.49Å; L173-W224 HydrophobicContact CB-CE3 3.92Å; L173-W224 HydrophobicContact CB-CH2 3.56Å; L173-W224 HydrophobicContact CB-CZ2 4.14Å; L173-W224 HydrophobicContact CB-CZ3 3.41Å; L173-W224 VanDerWaalsContact CB-CZ3 3.41Å; L173-W224 HydrophobicContact CD2-CD2 4.28Å; L173-W224 HydrophobicContact CD2-CE3 4.48Å; L173-W224 HydrophobicContact CD2-CZ2 4.32Å |
| 174 | Y | 94.2 | Very high | 89.9 | Confident | 11 Ų | 11 | 45 Ų | 45 | 4% | 0.043 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 144.5 | 171.5 | 63.4 | -84.3 | 0 | 0 | 0 | 112 | G182 Q183 E185 L195 L198 Y204 R205 | Y174-G182 CarbonylContact O-C 3.56Å; Y174-G182 VanDerWaalsContact O-CA 3.31Å; Y174-G182 WeakPolarHBondContact O-CA 3.36Å; Y174-Q183 HydrophobicContact CD2-CB 4.39Å; Y174-Q183 HydrophobicContact CE1-CB 3.93Å; Y174-Q183 HydrophobicContact CE2-CB 3.76Å; Y174-Q183 HydrophobicContact CE2-CG 4.44Å; Y174-Q183 VanDerWaalsContact CZ-CB 3.49Å; Y174-Q183 VanDerWaalsContact CZ-OE1 3.3Å; Y174-Q183 PolarHBondContact N-O 2.98Å; Y174-Q183 PolarHBondContact O-N 3.28Å; Y174-Q183 WeakPolarHBondContact OH-CB 3.09Å; Y174-Q183 PolarHBondContact OH-OE1 2.95Å; Y174-E185 HydrophobicContact CE1-CG 3.95Å; Y174-E185 PolarHBondContact OH-OE1 3.48Å; Y174-L195 HydrophobicContact CD1-CD1 3.8Å; Y174-L195 HydrophobicContact CD1-CD2 3.65Å; Y174-L195 HydrophobicContact CD1-CG 4.34Å; Y174-L195 HydrophobicContact CD2-CD1 4.37Å; Y174-L195 HydrophobicContact CE1-CD1 4.49Å; Y174-L195 HydrophobicContact CE1-CD2 3.7Å; Y174-L195 HydrophobicContact CG-CD1 3.74Å; Y174-L195 HydrophobicContact CG-CD2 4.4Å; Y174-L198 HydrophobicContact CD2-CD2 3.65Å; Y174-L198 HydrophobicContact CE2-CD2 3.6Å; Y174-Y204 HydrophobicContact CD2-CD1 4.35Å; Y174-Y204 HydrophobicContact CD2-CE1 4.31Å; Y174-R205 VanDerWaalsContact CA-O 3.32Å; Y174-R205 WeakPolarHBondContact CA-O 3.45Å |
| 175 | A | 94.3 | Very high | 90.3 | Very high | 2 Ų | 2 | 47.6 Ų | 47.6 | 2% | 0.017 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 153.4 | 178 | 0 | 0 | 0 | 0 | 0 | 110.1 | Y204 R205 | A175-Y204 CarbonylContact O-C 3.53Å; A175-Y204 VanDerWaalsContact O-CA 3.28Å; A175-Y204 WeakPolarHBondContact O-CA 3.1Å; A175-Y204 VanDerWaalsContact O-CD1 3.3Å; A175-Y204 WeakPolarHBondContact O-CD1 3.13Å; A175-R205 HydrophobicContact CB-CG 3.99Å; A175-R205 PolarHBondContact N-O 2.8Å; A175-R205 WeakPolarHBondContact O-CG 3.47Å; A175-R205 PolarHBondContact O-N 3.42Å |
| 176 | P | 93 | Very high | 90.7 | Very high | 38 Ų | 38 | 47.6 Ų | 47.6 | 25% | 0.247 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -52.2 | 144 | 159.5 | -23.4 | 33.6 | 0 | 0 | 0 | 110.2 | D178 S179 T202 K203 Y204 | P176-D178 PolarHBondContact O-N 3.15Å; P176-S179 WeakPolarHBondContact O-CB 3.47Å; P176-S179 PolarHBondContact O-N 3.49Å; P176-T202 HydrophobicContact CB-CG2 4.08Å; P176-K203 CarbonylContact C-O 3.54Å; P176-K203 WeakPolarHBondContact CA-O 3.23Å; P176-Y204 HydrophobicContact CG-CE1 4.01Å |
| 177 | A | 89.7 | Confident | 91 | Very high | 29 Ų | 29 | 43 Ų | 43 | 24% | 0.24 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -35.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | S179 K203 F229 | A177-S179 VanDerWaalsContact C-N 3.3Å; A177-S179 PolarHBondContact O-N 3.06Å; A177-K203 HydrophobicContact CB-CB 4.12Å; A177-K203 HydrophobicContact CB-CD 4.14Å; A177-K203 HydrophobicContact CB-CG 3.98Å; A177-K203 PolarHBondContact N-O 2.8Å; A177-F229 HydrophobicContact CB-CD1 4.37Å; A177-F229 HydrophobicContact CB-CE1 4.42Å |
| 178 | D | 85.3 | Confident | 91 | Very high | 155 Ų | 155 | 47.4 Ų | 47.4 | 83% | 0.829 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | 3.5 | 178.1 | -48 | -67.9 | 0 | 0 | 0 | 113.4 | P176 | P176-D178 PolarHBondContact O-N 3.15Š|
| 179 | S | 86.6 | Confident | 90.7 | Very high | 34 Ų | 34 | 49.4 Ų | 49.4 | 24% | 0.238 | 28% | 0.278 | C | S | . | . | trans | -106.2 | 126.6 | -178.6 | -179.5 | 0 | 0 | 0 | 0 | 112.7 | P176 A177 V181 R205 | P176-S179 WeakPolarHBondContact O-CB 3.47Å; P176-S179 PolarHBondContact O-N 3.49Å; A177-S179 VanDerWaalsContact C-N 3.3Å; A177-S179 PolarHBondContact O-N 3.06Å; S179-V181 VanDerWaalsContact C-N 3.29Å; S179-V181 PolarHBondContact OG-N 3.45Å; S179-V181 PolarHBondContact OG-O 3.06Å; S179-R205 PolarHBondContact O-NE 2.81Å; S179-R205 PolarHBondContact O-NH2 3.27Å | ||
| 180 | H | 77 | Confident | 90.3 | Very high | 127 Ų | 127 | 49.1 Ų | 49.1 | 59% | 0.588 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -76.1 | -15.2 | 167.8 | -61.4 | -83.7 | 0 | 0 | 0 | 113.3 | V536 | H180-V536 PolarHBondContact O-N 3.2Š|
| 181 | V | 83.4 | Confident | 90.1 | Very high | 80 Ų | 80 | 51 Ų | 51 | 49% | 0.485 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 121.1 | 175.8 | -177 | 0 | 0 | 0 | 0 | 109.2 | S179 | S179-V181 VanDerWaalsContact C-N 3.29Å; S179-V181 PolarHBondContact OG-N 3.45Å; S179-V181 PolarHBondContact OG-O 3.06Å |
| 182 | G | 85.8 | Confident | 89.9 | Confident | 3 Ų | 3 | 54.2 Ų | 54.2 | 3% | 0.031 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 159 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y174 | Y174-G182 CarbonylContact O-C 3.56Å; Y174-G182 VanDerWaalsContact O-CA 3.31Å; Y174-G182 WeakPolarHBondContact O-CA 3.36Å |
| 183 | Q | 91.6 | Very high | 89.7 | Confident | 117 Ų | 117 | 56.6 Ų | 56.6 | 55% | 0.547 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 148.4 | 169.3 | -68.4 | 174.3 | -7.5 | 0 | 0 | 108.6 | L173 Y174 | L173-Q183 WeakPolarHBondContact CA-O 3.35Å; Y174-Q183 HydrophobicContact CD2-CB 4.39Å; Y174-Q183 HydrophobicContact CE1-CB 3.93Å; Y174-Q183 HydrophobicContact CE2-CB 3.76Å; Y174-Q183 HydrophobicContact CE2-CG 4.44Å; Y174-Q183 VanDerWaalsContact CZ-CB 3.49Å; Y174-Q183 VanDerWaalsContact CZ-OE1 3.3Å; Y174-Q183 PolarHBondContact N-O 2.98Å; Y174-Q183 PolarHBondContact O-N 3.28Å; Y174-Q183 WeakPolarHBondContact OH-CB 3.09Å; Y174-Q183 PolarHBondContact OH-OE1 2.95Å |
| 184 | V | 94.3 | Very high | 89.7 | Confident | 39 Ų | 39 | 58.8 Ų | 58.8 | 24% | 0.236 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 121.5 | -179.5 | -179.5 | 0 | 0 | 0 | 0 | 108.3 | E171 V172 L173 W224 | E171-V184 HydrophobicContact CB-CG1 3.88Å; E171-V184 HydrophobicContact CG-CG1 3.67Å; V172-V184 WeakPolarHBondContact O-CA 3.39Å; L173-V184 HydrophobicContact CB-CG2 4.3Å; L173-V184 HydrophobicContact CD1-CG2 3.69Å; V184-W224 HydrophobicContact CG1-CH2 4.33Å; V184-W224 HydrophobicContact CG2-CH2 4.47Å |
| 185 | E | 93.3 | Very high | 89.6 | Confident | 58 Ų | 58 | 58.3 Ų | 58.3 | 27% | 0.271 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 140.5 | 172.9 | -74.3 | 178.5 | 169.7 | 0 | 0 | 109.6 | E171 V172 Y174 M193 L195 | E171-E185 CarbonylContact C-O 3.53Å; E171-E185 WeakPolarHBondContact CA-O 3.34Å; V172-E185 PolarHBondContact N-O 3.42Å; V172-E185 PolarHBondContact O-N 2.93Å; Y174-E185 HydrophobicContact CE1-CG 3.95Å; Y174-E185 PolarHBondContact OH-OE1 3.48Å; E185-M193 WeakPolarHBondContact OE2-CE 3.44Å; E185-L195 VanDerWaalsContact OE2-CD2 3.24Å; E185-L195 WeakPolarHBondContact OE2-CD2 3.46Å |
| 186 | A | 92.9 | Very high | 89.5 | Confident | 76 Ų | 76 | 64.9 Ų | 64.9 | 63% | 0.628 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 141 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y170 E171 | Y170-A186 CarbonylContact O-C 3.54Å; Y170-A186 VanDerWaalsContact O-CA 3.3Å; Y170-A186 WeakPolarHBondContact O-CA 3.47Å; E171-A186 HydrophobicContact CG-CB 4.15Å |
| 187 | I | 91.6 | Very high | 89.3 | Confident | 36 Ų | 36 | 67 Ų | 67 | 19% | 0.185 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 137.9 | 179.2 | -170.8 | 169.1 | 0 | 0 | 0 | 110.8 | W156 Y170 C190 E192 M193 | W156-I187 HydrophobicContact CH2-CG2 3.99Å; W156-I187 HydrophobicContact CZ2-CG2 4.03Å; Y170-I187 PolarHBondContact N-O 3.5Å; Y170-I187 PolarHBondContact O-N 2.92Å; I187-C190 HydrophobicContact CD1-CB 3.81Å; I187-C190 HydrophobicContact CG1-CB 4.07Å; I187-E192 WeakPolarHBondContact CD1-O 3.39Å; I187-M193 HydrophobicContact CD1-CB 4.21Å; I187-M193 HydrophobicContact CD1-SD 4.04Å |
| 188 | Q | 88.4 | Confident | 89.3 | Confident | 119 Ų | 119 | 66.2 Ų | 66.2 | 56% | 0.556 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 141 | -177.9 | -174.9 | 167 | 27.7 | 0 | 0 | 111.3 | I169 C190 | I169-Q188 HydrophobicContact CG2-CB 4.04Å; I169-Q188 HydrophobicContact CG2-CG 3.87Å; Q188-C190 PolarHBondContact O-N 2.98Å |
| 189 | A | 84.9 | Confident | 89.5 | Confident | 44 Ų | 44 | 64.6 Ų | 64.6 | 36% | 0.364 | 36% | 0.36 | S | S | . | . | S | Bend | trans | 53 | 13.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | M168 | M168-A189 PolarHBondContact O-N 2.94Š|
| 190 | C | 87.1 | Confident | 89.5 | Confident | 18 Ų | 18 | 64.7 Ų | 64.7 | 12% | 0.122 | 36% | 0.363 | C | S | . | . | trans | -128.7 | 143.3 | -178.2 | -155 | 0 | 0 | 0 | 0 | 111.1 | W156 Y170 I187 Q188 C402 | W156-C190 WeakPolarHBondContact CZ2-O 3.11Å; Y170-C190 VanDerWaalsContact CD2-O 3.28Å; Y170-C190 WeakPolarHBondContact CD2-O 3.41Å; I187-C190 HydrophobicContact CD1-CB 3.81Å; I187-C190 HydrophobicContact CG1-CB 4.07Å; Q188-C190 PolarHBondContact O-N 2.98Å; C190-C402 VanDerWaalsContact CA-SG 3.6Å; C190-C402 HydrophobicContact CB-CB 3.96Å; C190-C402 WeakPolarHBondContact CB-SG 3.4Å; C190-C402 WeakPolarHBondContact SG-CB 3.21Å; C190-C402 CovalentContact SG-SG 2.04Å; C190-C402 PolarHBondContact SG-SG 2.77Å | ||
| 191 | S | 89.9 | Confident | 90 | Very high | 42 Ų | 42 | 60.9 Ų | 60.9 | 29% | 0.294 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -111.8 | 19.6 | -175.3 | 56.7 | 0 | 0 | 0 | 0 | 113.9 | S155 W156 | S155-S191 VanDerWaalsContact CA-O 3.31Å; S155-S191 WeakPolarHBondContact CA-O 3.48Å; W156-S191 PolarHBondContact N-O 2.84Å; W156-S191 WeakPolarHBondContact O-CB 3.4Å |
| 192 | E | 92.7 | Very high | 90.3 | Very high | 98 Ų | 98 | 58.4 Ų | 58.4 | 46% | 0.458 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 135.5 | 179.5 | -177.1 | 166.7 | -134.6 | 0 | 0 | 108.6 | N153 V154 I187 | N153-E192 PolarHBondContact ND2-OE1 3.25Å; N153-E192 VanDerWaalsContact OD1-CG 3.26Å; N153-E192 WeakPolarHBondContact OD1-CG 3.28Å; V154-E192 CarbonylContact O-C 3.5Å; V154-E192 WeakPolarHBondContact O-CA 3.24Å; I187-E192 WeakPolarHBondContact CD1-O 3.39Å |
| 193 | M | 93.2 | Very high | 90.6 | Very high | 49 Ų | 49 | 62.4 Ų | 62.4 | 24% | 0.241 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 134.3 | -178 | 178 | 53.2 | 179.2 | 0 | 0 | 110.9 | N153 V154 W156 E185 I187 L195 | N153-M193 PolarHBondContact OD1-O 3.25Å; V154-M193 PolarHBondContact N-O 3.34Å; V154-M193 PolarHBondContact O-N 3.33Å; W156-M193 HydrophobicContact CH2-CB 4Å; W156-M193 HydrophobicContact CZ3-CB 4.2Å; E185-M193 WeakPolarHBondContact OE2-CE 3.44Å; I187-M193 HydrophobicContact CD1-CB 4.21Å; I187-M193 HydrophobicContact CD1-SD 4.04Å; M193-L195 HydrophobicContact CG-CD2 4.42Å |
| 194 | I | 93.9 | Very high | 90.7 | Very high | 59 Ų | 59 | 57.6 Ų | 57.6 | 30% | 0.303 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 104.4 | 176.1 | -58.6 | 174.4 | 0 | 0 | 0 | 108.8 | T146 L152 N153 R196 | T146-I194 HydrophobicContact CG2-CG2 4.06Å; L152-I194 CarbonylContact O-C 3.53Å; L152-I194 WeakPolarHBondContact O-CA 3.31Å; N153-I194 HydrophobicContact CB-CG1 4.48Å; I194-R196 HydrophobicContact CG2-CG 4.26Å |
| 195 | L | 93 | Very high | 90.7 | Very high | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.005 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 141.2 | 169.3 | -57.5 | -178.2 | 0 | 0 | 0 | 109.6 | Q151 L152 V154 V172 Y174 E185 M193 L198 V206 | Q151-L195 VanDerWaalsContact CA-O 3.3Å; Q151-L195 WeakPolarHBondContact CA-O 3.48Å; L152-L195 PolarHBondContact N-O 2.92Å; L152-L195 PolarHBondContact O-N 3.05Å; V154-L195 HydrophobicContact CG2-CD1 3.68Å; V154-L195 HydrophobicContact CG2-CG 3.85Å; V172-L195 HydrophobicContact CG1-CD1 4.43Å; V172-L195 HydrophobicContact CG1-CD2 4.14Å; Y174-L195 HydrophobicContact CD1-CD1 3.8Å; Y174-L195 HydrophobicContact CD1-CD2 3.65Å; Y174-L195 HydrophobicContact CD1-CG 4.34Å; Y174-L195 HydrophobicContact CD2-CD1 4.37Å; Y174-L195 HydrophobicContact CE1-CD1 4.49Å; Y174-L195 HydrophobicContact CE1-CD2 3.7Å; Y174-L195 HydrophobicContact CG-CD1 3.74Å; Y174-L195 HydrophobicContact CG-CD2 4.4Å; E185-L195 VanDerWaalsContact OE2-CD2 3.24Å; E185-L195 WeakPolarHBondContact OE2-CD2 3.46Å; M193-L195 HydrophobicContact CG-CD2 4.42Å; L195-L198 HydrophobicContact CB-CD1 4.01Å; L195-L198 HydrophobicContact CB-CG 4.48Å; L195-V206 HydrophobicContact CD1-CG2 4.41Å |
| 196 | R | 91.7 | Very high | 90.8 | Very high | 140 Ų | 140 | 54.6 Ų | 54.6 | 53% | 0.528 | 32% | 0.319 | S | S | . | . | trans | -134.9 | 160.6 | -175.3 | -56 | -175.9 | -176.9 | -79.4 | 0.1 | 111.5 | G150 Q151 I194 L198 | G150-R196 CarbonylContact O-C 3.53Å; Q151-R196 HydrophobicContact CG-CG 4.34Å; I194-R196 HydrophobicContact CG2-CG 4.26Å; R196-L198 VanDerWaalsContact C-N 3.26Å; R196-L198 PolarHBondContact O-N 3.02Å | ||
| 197 | G | 88.3 | Confident | 91 | Very high | 82 Ų | 82 | 52.5 Ų | 52.5 | 85% | 0.845 | 30% | 0.296 | S | S | * | . | S | Bend | trans | 71.7 | 19.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | G150 | G150-G197 PolarHBondContact O-N 2.87Š|
| 198 | L | 90.7 | Very high | 91.2 | Very high | 13 Ų | 13 | 50.8 Ų | 50.8 | 7% | 0.068 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -73.9 | 149.1 | 178.4 | -54.9 | 173.7 | 0 | 0 | 0 | 110.9 | G150 L152 Y174 L195 R196 Y204 T232 | G150-L198 WeakPolarHBondContact CA-O 3.33Å; G150-L198 PolarHBondContact O-N 2.83Å; L152-L198 HydrophobicContact CB-CD1 3.93Å; L152-L198 HydrophobicContact CD1-CD1 3.56Å; L152-L198 HydrophobicContact CG-CD1 3.59Å; Y174-L198 HydrophobicContact CD2-CD2 3.65Å; Y174-L198 HydrophobicContact CE2-CD2 3.6Å; L195-L198 HydrophobicContact CB-CD1 4.01Å; L195-L198 HydrophobicContact CB-CG 4.48Å; R196-L198 VanDerWaalsContact C-N 3.26Å; R196-L198 PolarHBondContact O-N 3.02Å; L198-Y204 HydrophobicContact CB-CE2 3.96Å; L198-Y204 HydrophobicContact CD2-CD1 4.2Å; L198-Y204 HydrophobicContact CD2-CE1 3.73Å; L198-Y204 HydrophobicContact CD2-CE2 4.46Å; L198-T232 HydrophobicContact CB-CG2 3.94Å; L198-T232 HydrophobicContact CD1-CG2 4.08Å |
| 199 | E | 89 | Confident | 91.5 | Very high | 122 Ų | 122 | 46.8 Ų | 46.8 | 57% | 0.57 | 27% | 0.267 | S | S | * | . | P | Polyproline II helix | trans | -66.5 | 143 | 173.7 | -168.7 | 178.6 | -143.3 | 0 | 0 | 110.4 | T202 Y204 T232 | E199-T202 VanDerWaalsContact CD-OG1 3.28Å; E199-T202 WeakPolarHBondContact CG-OG1 3.38Å; E199-T202 PolarHBondContact OE2-OG1 2.82Å; E199-Y204 PolarHBondContact N-OH 2.79Å; E199-T232 WeakPolarHBondContact O-CB 3.42Å; E199-T232 WeakPolarHBondContact O-CG2 3.44Å; E199-T232 PolarHBondContact O-OG1 3.46Å |
| 200 | A | 87.8 | Confident | 92 | Very high | 35 Ų | 35 | 44.7 Ų | 44.7 | 29% | 0.289 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92 | 133.7 | -171.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | T202 L233 A235 | A200-T202 PolarHBondContact O-N 3.4Å; A200-L233 CarbonylContact C-O 3.58Å; A200-L233 WeakPolarHBondContact CA-O 3.37Å; A200-L233 WeakPolarHBondContact CB-O 3.25Å; A200-A235 HydrophobicContact CB-CB 3.94Å |
| 201 | G | 86.4 | Confident | 92.4 | Very high | 48 Ų | 48 | 44.4 Ų | 44.4 | 50% | 0.495 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74 | 10.3 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | T232 L233 | G201-T232 PolarHBondContact N-OG1 2.91Å; G201-L233 PolarHBondContact N-O 2.98Å |
| 202 | T | 90.1 | Very high | 92.6 | Very high | 27 Ų | 27 | 42.4 Ų | 42.4 | 17% | 0.166 | 23% | 0.232 | C | C | . | . | trans | -96.7 | 139.4 | -178.3 | -67.4 | 0 | 0 | 0 | 0 | 110.5 | P176 E199 A200 Y204 T232 | P176-T202 HydrophobicContact CB-CG2 4.08Å; E199-T202 VanDerWaalsContact CD-OG1 3.28Å; E199-T202 WeakPolarHBondContact CG-OG1 3.38Å; E199-T202 PolarHBondContact OE2-OG1 2.82Å; A200-T202 PolarHBondContact O-N 3.4Å; T202-Y204 HydrophobicContact CG2-CD2 4.13Å; T202-Y204 HydrophobicContact CG2-CE2 3.73Å; T202-Y204 WeakPolarHBondContact O-CD2 3.39Å; T202-T232 PolarHBondContact N-OG1 3.01Å; T202-T232 PolarHBondContact O-N 2.81Å; T202-T232 PolarHBondContact O-OG1 3.47Å | ||
| 203 | K | 92.4 | Very high | 92.4 | Very high | 87 Ų | 87 | 42.1 Ų | 42.1 | 38% | 0.378 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 124.3 | 173.9 | -169.1 | 175.6 | -159.1 | 118.3 | 0 | 110.2 | P176 A177 T230 E231 | P176-K203 CarbonylContact C-O 3.54Å; P176-K203 WeakPolarHBondContact CA-O 3.23Å; A177-K203 HydrophobicContact CB-CB 4.12Å; A177-K203 HydrophobicContact CB-CD 4.14Å; A177-K203 HydrophobicContact CB-CG 3.98Å; A177-K203 PolarHBondContact N-O 2.8Å; K203-T230 CarbonylContact C-O 3.38Å; K203-T230 WeakPolarHBondContact CA-O 3.37Å; K203-E231 HydrophobicContact CB-CG 3.74Å; K203-E231 HydrophobicContact CD-CG 4.46Å; K203-E231 HydrophobicContact CG-CG 3.86Å; K203-E231 IonicContact NZ-OE1 2.97Å; K203-E231 PolarHBondContact NZ-OE1 2.93Å |
| 204 | Y | 93.2 | Very high | 92.1 | Very high | 17 Ų | 17 | 40.6 Ų | 40.6 | 7% | 0.067 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 143.1 | 176.4 | -80 | -96.7 | 0 | 0 | 0 | 111.5 | Y174 A175 P176 L198 E199 T202 F229 T230 T232 | Y174-Y204 HydrophobicContact CD2-CD1 4.35Å; Y174-Y204 HydrophobicContact CD2-CE1 4.31Å; A175-Y204 CarbonylContact O-C 3.53Å; A175-Y204 VanDerWaalsContact O-CA 3.28Å; A175-Y204 WeakPolarHBondContact O-CA 3.1Å; A175-Y204 VanDerWaalsContact O-CD1 3.3Å; A175-Y204 WeakPolarHBondContact O-CD1 3.13Å; P176-Y204 HydrophobicContact CG-CE1 4.01Å; L198-Y204 HydrophobicContact CB-CE2 3.96Å; L198-Y204 HydrophobicContact CD2-CD1 4.2Å; L198-Y204 HydrophobicContact CD2-CE1 3.73Å; L198-Y204 HydrophobicContact CD2-CE2 4.46Å; E199-Y204 PolarHBondContact N-OH 2.79Å; T202-Y204 HydrophobicContact CG2-CD2 4.13Å; T202-Y204 HydrophobicContact CG2-CE2 3.73Å; T202-Y204 WeakPolarHBondContact O-CD2 3.39Å; Y204-F229 WeakPolarHBondContact O-CA 3.45Å; Y204-T230 PolarHBondContact N-O 2.6Å; Y204-T230 PolarHBondContact O-N 3.42Å; Y204-T232 HydrophobicContact CD2-CG2 3.79Å; Y204-T232 HydrophobicContact CE2-CG2 3.9Å |
| 205 | R | 94.8 | Very high | 91.7 | Very high | 34 Ų | 34 | 46.4 Ų | 46.4 | 13% | 0.128 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 135.7 | 160.3 | 59.9 | -179.9 | 177.1 | 118.8 | -2.5 | 109 | Y174 A175 S179 V228 F229 | Y174-R205 VanDerWaalsContact CA-O 3.32Å; Y174-R205 WeakPolarHBondContact CA-O 3.45Å; A175-R205 HydrophobicContact CB-CG 3.99Å; A175-R205 PolarHBondContact N-O 2.8Å; A175-R205 WeakPolarHBondContact O-CG 3.47Å; A175-R205 PolarHBondContact O-N 3.42Å; S179-R205 PolarHBondContact O-NE 2.81Å; S179-R205 PolarHBondContact O-NH2 3.27Å; R205-V228 WeakPolarHBondContact CA-O 3.45Å; R205-F229 HydrophobicContact CB-CD1 3.91Å; R205-F229 HydrophobicContact CB-CE1 3.66Å; R205-F229 HydrophobicContact CB-CZ 4.28Å |
| 206 | V | 95.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 133.9 | 179.5 | -176 | 0 | 0 | 0 | 0 | 109.5 | V143 V154 V172 L173 L195 V228 | V143-V206 HydrophobicContact CG2-CB 4.03Å; V143-V206 HydrophobicContact CG2-CG1 4.19Å; V143-V206 HydrophobicContact CG2-CG2 4.19Å; V154-V206 HydrophobicContact CG1-CG1 3.89Å; V154-V206 HydrophobicContact CG2-CG1 3.96Å; V172-V206 HydrophobicContact CG1-CG1 3.83Å; L173-V206 CarbonylContact O-C 3.51Å; L173-V206 WeakPolarHBondContact O-CA 3.46Å; L195-V206 HydrophobicContact CD1-CG2 4.41Å; V206-V228 PolarHBondContact N-O 2.62Å; V206-V228 PolarHBondContact O-N 2.69Å |
| 207 | Q | 95.9 | Very high | 91.5 | Very high | 32 Ų | 32 | 44.7 Ų | 44.7 | 15% | 0.15 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 146.3 | 176.1 | -69.8 | 178.2 | -90.1 | 0 | 0 | 109.9 | V172 L173 W224 S225 P227 | V172-Q207 WeakPolarHBondContact CA-O 3.43Å; L173-Q207 HydrophobicContact CB-CB 4.43Å; L173-Q207 PolarHBondContact N-O 3.38Å; L173-Q207 PolarHBondContact O-N 2.85Å; Q207-W224 HydrophobicContact CB-CB 4.32Å; Q207-W224 HydrophobicContact CB-CE3 4Å; Q207-S225 PolarHBondContact NE2-O 2.91Å; Q207-P227 HydrophobicContact CG-CB 3.84Å |
| 208 | V | 96.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 142.7 | 178.7 | -167.7 | 0 | 0 | 0 | 0 | 109.7 | P138 V141 V154 W156 Y170 E171 V172 S225 | P138-V208 HydrophobicContact CG-CB 4.44Å; P138-V208 HydrophobicContact CG-CG1 4.03Å; V141-V208 HydrophobicContact CG1-CG2 3.84Å; V141-V208 HydrophobicContact CG2-CB 4.18Å; V141-V208 HydrophobicContact CG2-CG2 3.95Å; V154-V208 HydrophobicContact CG1-CG2 4.18Å; W156-V208 HydrophobicContact CD2-CG1 3.96Å; W156-V208 HydrophobicContact CD2-CG2 4.33Å; W156-V208 HydrophobicContact CE3-CG1 4.24Å; W156-V208 HydrophobicContact CE3-CG2 3.96Å; W156-V208 HydrophobicContact CG-CG1 4.4Å; W156-V208 HydrophobicContact CZ2-CG1 4.24Å; W156-V208 HydrophobicContact CZ3-CG2 4.35Å; Y170-V208 HydrophobicContact CD1-CG1 4.31Å; E171-V208 CarbonylContact O-C 3.55Å; E171-V208 WeakPolarHBondContact O-CA 3.47Å; V172-V208 HydrophobicContact CG2-CG1 4.39Å; V172-V208 HydrophobicContact CG2-CG2 4.34Å; V208-S225 PolarHBondContact N-OG 2.85Å; V208-S225 VanDerWaalsContact O-CB 3.31Å; V208-S225 WeakPolarHBondContact O-CB 3.44Å; V208-S225 PolarHBondContact O-N 2.97Å |
| 209 | R | 95.7 | Very high | 91.9 | Very high | 35 Ų | 35 | 43.9 Ų | 43.9 | 13% | 0.132 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 162.9 | 167.2 | 68.3 | 178.4 | -176.6 | 154.6 | 4.7 | 110.8 | Y170 E171 W221 S222 W224 | Y170-R209 VanDerWaalsContact CA-O 3.27Å; Y170-R209 WeakPolarHBondContact CA-O 3.28Å; E171-R209 HydrophobicContact CB-CG 3.86Å; E171-R209 PolarHBondContact N-O 3Å; E171-R209 PolarHBondContact O-N 3.49Å; E171-R209 IonicContact OE1-NH2 3.23Å; E171-R209 PolarHBondContact OE1-NH2 3.33Å; E171-R209 IonicContact OE2-CZ 3.83Å; E171-R209 IonicContact OE2-NE 2.8Å; E171-R209 PolarHBondContact OE2-NE 3.47Å; E171-R209 IonicContact OE2-NH2 2.8Å; E171-R209 PolarHBondContact OE2-NH2 3.42Å; R209-W221 HydrophobicContact CB-CE3 4.48Å; R209-W221 HydrophobicContact CG-CD2 4.45Å; R209-W221 HydrophobicContact CG-CE3 3.65Å; R209-W221 HydrophobicContact CG-CZ3 4.03Å; R209-W221 VanDerWaalsContact CZ-CG 3.49Å; R209-W221 VanDerWaalsContact NH1-CB 3.26Å; R209-S222 WeakPolarHBondContact CA-OG 3.43Å; R209-S222 WeakPolarHBondContact CB-OG 3.36Å; R209-W224 HydrophobicContact CB-CD2 4.23Å; R209-W224 HydrophobicContact CB-CE3 3.8Å; R209-W224 HydrophobicContact CB-CZ3 4.07Å; R209-W224 HydrophobicContact CG-CD2 4.19Å; R209-W224 HydrophobicContact CG-CE3 3.73Å; R209-W224 HydrophobicContact CG-CH2 3.75Å; R209-W224 HydrophobicContact CG-CZ2 4.22Å; R209-W224 HydrophobicContact CG-CZ3 3.5Å |
| 210 | V | 95.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 149.2 | -176.7 | 65 | 0 | 0 | 0 | 0 | 111 | L135 D136 P138 P159 M168 I169 Y170 S222 | L135-V210 HydrophobicContact CB-CG1 3.91Å; L135-V210 HydrophobicContact CD1-CG1 4.23Å; L135-V210 HydrophobicContact CD1-CG2 4.33Å; D136-V210 WeakPolarHBondContact O-CG1 3.49Å; P138-V210 HydrophobicContact CG-CB 4.02Å; P138-V210 HydrophobicContact CG-CG1 4.19Å; P159-V210 HydrophobicContact CG-CG1 4.18Å; M168-V210 HydrophobicContact CB-CG2 4.38Å; I169-V210 CarbonylContact O-C 3.55Å; I169-V210 WeakPolarHBondContact O-CA 3.45Å; I169-V210 WeakPolarHBondContact O-CG2 3.05Å; Y170-V210 HydrophobicContact CD1-CB 3.69Å; Y170-V210 HydrophobicContact CD1-CG2 3.7Å; Y170-V210 HydrophobicContact CE1-CB 3.69Å; Y170-V210 HydrophobicContact CE1-CG2 3.38Å; Y170-V210 HydrophobicContact CG-CG2 4.44Å; V210-S222 PolarHBondContact N-OG 3.5Å; V210-S222 WeakPolarHBondContact O-CB 3.3Å; V210-S222 PolarHBondContact O-N 3.13Å; V210-S222 PolarHBondContact O-OG 2.8Å |
| 211 | N | 94.8 | Very high | 92.6 | Very high | 11 Ų | 11 | 40.5 Ų | 40.5 | 6% | 0.059 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 167.1 | 163.9 | -170.6 | 29.9 | 0 | 0 | 0 | 109.5 | M168 I169 G219 Y220 W221 | M168-N211 WeakPolarHBondContact CA-O 3.39Å; I169-N211 HydrophobicContact CD1-CB 4.26Å; I169-N211 HydrophobicContact CG1-CB 3.89Å; I169-N211 PolarHBondContact N-O 3.45Å; I169-N211 PolarHBondContact O-N 3.13Å; N211-G219 PolarHBondContact ND2-O 2.67Å; N211-G219 PolarHBondContact OD1-O 2.93Å; N211-Y220 PolarHBondContact OD1-N 2.64Å; N211-Y220 PolarHBondContact OD1-O 2.83Å; N211-W221 HydrophobicContact CB-CD2 3.76Å; N211-W221 HydrophobicContact CB-CE3 3.61Å; N211-W221 HydrophobicContact CB-CG 4.31Å; N211-W221 HydrophobicContact CB-CH2 4.26Å; N211-W221 HydrophobicContact CB-CZ2 4.4Å; N211-W221 HydrophobicContact CB-CZ3 3.87Å |
| 212 | L | 93.7 | Very high | 93 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 128.3 | 157.7 | -59.2 | -177.2 | 0 | 0 | 0 | 108.5 | F133 L135 M164 S167 M168 G219 | F133-L212 HydrophobicContact CB-CD1 3.86Å; F133-L212 HydrophobicContact CB-CG 4.39Å; F133-L212 HydrophobicContact CD1-CD1 4.42Å; F133-L212 HydrophobicContact CD2-CD1 3.71Å; F133-L212 HydrophobicContact CE2-CD1 4.46Å; F133-L212 HydrophobicContact CG-CD1 3.7Å; L135-L212 HydrophobicContact CD1-CD2 4.09Å; L135-L212 HydrophobicContact CD1-CG 4.12Å; M164-L212 HydrophobicContact CB-CD2 4.4Å; M164-L212 HydrophobicContact CE-CD1 3.69Å; M164-L212 HydrophobicContact CG-CD1 4.13Å; M164-L212 HydrophobicContact SD-CD1 3.94Å; S167-L212 WeakPolarHBondContact O-CA 3.04Å; M168-L212 HydrophobicContact CB-CD2 4.45Å; M168-L212 HydrophobicContact CG-CD2 3.63Å; L212-G219 PolarHBondContact O-N 2.82Å |
| 213 | D | 89.8 | Confident | 93.3 | Very high | 92 Ų | 92 | 37.9 Ų | 37.9 | 49% | 0.492 | 19% | 0.194 | S | C | . | . | B | Isolated β-bridge | trans | -133.3 | 79 | 174.8 | -177.6 | 14.6 | 0 | 0 | 0 | 107.7 | S167 I169 | S167-D213 PolarHBondContact O-N 2.89Å; I169-D213 HydrophobicContact CD1-CB 3.51Å; I169-D213 HydrophobicContact CG1-CB 3.77Å; I169-D213 HydrophobicContact CG2-CB 3.97Å |
| 214 | G | 86 | Confident | 93.4 | Very high | 17 Ų | 17 | 36.7 Ų | 36.7 | 18% | 0.175 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -144.7 | 149.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | T216 Y217 | G214-T216 PolarHBondContact O-N 3.1Å; G214-Y217 CarbonylContact C-O 3.59Å; G214-Y217 WeakPolarHBondContact CA-O 3.43Å; G214-Y217 PolarHBondContact N-O 2.69Å; G214-Y217 CarbonylContact O-C 3.58Å; G214-Y217 PolarHBondContact O-N 2.85Å |
| 215 | I | 85.4 | Confident | 93.5 | Very high | 181 Ų | 181 | 36.1 Ų | 36.1 | 93% | 0.928 | 19% | 0.186 | S | C | * | . | S | Bend | trans | -59.1 | -27.2 | -176.2 | -55.5 | 167 | 0 | 0 | 0 | 112.2 | ||
| 216 | T | 89.4 | Confident | 93.4 | Very high | 75 Ų | 75 | 40.5 Ų | 40.5 | 46% | 0.46 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -100.5 | -23.9 | -179.3 | -49.7 | 0 | 0 | 0 | 0 | 113.6 | F108 G214 | F108-T216 HydrophobicContact CE1-CG2 3.75Å; F108-T216 HydrophobicContact CZ-CG2 4.03Å; G214-T216 PolarHBondContact O-N 3.1Å |
| 217 | Y | 91.6 | Very high | 93.3 | Very high | 30 Ų | 30 | 43.4 Ų | 43.4 | 12% | 0.118 | 23% | 0.23 | C | C | . | . | trans | -145.3 | 122.3 | -177.3 | -56.1 | -70.8 | 0 | 0 | 0 | 109.9 | K50 M107 F108 E130 F133 Y163 M164 G214 | K50-Y217 PolarHBondContact NZ-OH 3.01Å; M107-Y217 HydrophobicContact SD-CE1 4.35Å; F108-Y217 HydrophobicContact CE1-CE1 4.3Å; F108-Y217 AromaticContact CZ-CE1 3.8Å; F108-Y217 HydrophobicContact CZ-CE1 3.8Å; F108-Y217 AromaticContact CZ-CZ 3.97Å; E130-Y217 HydrophobicContact CB-CD1 3.88Å; E130-Y217 HydrophobicContact CB-CE1 4.27Å; E130-Y217 VanDerWaalsContact O-CA 3.3Å; E130-Y217 WeakPolarHBondContact O-CA 3.49Å; F133-Y217 HydrophobicContact CE2-CD1 4.05Å; Y163-Y217 WeakPolarHBondContact O-CE2 3.27Å; M164-Y217 HydrophobicContact CE-CD1 3.34Å; M164-Y217 HydrophobicContact CE-CD2 4.06Å; M164-Y217 HydrophobicContact CE-CE1 3.69Å; M164-Y217 HydrophobicContact CE-CE2 4.38Å; M164-Y217 HydrophobicContact CE-CG 3.53Å; M164-Y217 HydrophobicContact CG-CD2 3.7Å; M164-Y217 HydrophobicContact CG-CE2 3.99Å; M164-Y217 HydrophobicContact CG-CG 4.05Å; G214-Y217 CarbonylContact C-O 3.59Å; G214-Y217 WeakPolarHBondContact CA-O 3.43Å; G214-Y217 PolarHBondContact N-O 2.69Å; G214-Y217 CarbonylContact O-C 3.58Å; G214-Y217 PolarHBondContact O-N 2.85Å | ||
| 218 | D | 93.4 | Very high | 93.2 | Very high | 63 Ų | 63 | 43.8 Ų | 43.8 | 34% | 0.337 | 24% | 0.235 | S | C | . | . | B | Isolated β-bridge | trans | -135.9 | 168.5 | -174.9 | -175.1 | 19.1 | 0 | 0 | 0 | 109.3 | E130 L131 L132 F133 | E130-D218 PolarHBondContact O-N 3.46Å; L131-D218 CarbonylContact C-O 3.56Å; L131-D218 WeakPolarHBondContact CA-O 3.4Å; L131-D218 HydrophobicContact CB-CB 4.33Å; L131-D218 HydrophobicContact CD2-CB 3.86Å; L132-D218 PolarHBondContact N-O 3.35Å; F133-D218 PolarHBondContact N-O 3.2Å; F133-D218 VanDerWaalsContact N-O 3.07Å |
| 219 | G | 94.4 | Very high | 93.1 | Very high | 15 Ų | 15 | 49 Ų | 49 | 16% | 0.155 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 176.8 | -150.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | F133 N211 L212 | F133-G219 CarbonylContact O-C 3.58Å; F133-G219 WeakPolarHBondContact O-CA 3.44Å; N211-G219 PolarHBondContact ND2-O 2.67Å; N211-G219 PolarHBondContact OD1-O 2.93Å; L212-G219 PolarHBondContact O-N 2.82Å |
| 220 | Y | 95.3 | Very high | 92.8 | Very high | 28 Ų | 28 | 49 Ų | 49 | 11% | 0.11 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 140 | -175.2 | -50.2 | -87.7 | 0 | 0 | 0 | 110.3 | L35 E38 E39 L132 F133 L134 N211 S222 | L35-Y220 HydrophobicContact CD2-CD1 3.79Å; L35-Y220 HydrophobicContact CD2-CD2 3.5Å; L35-Y220 VanDerWaalsContact CD2-CD2 3.5Å; L35-Y220 HydrophobicContact CD2-CE1 3.78Å; L35-Y220 HydrophobicContact CD2-CE2 3.47Å; L35-Y220 VanDerWaalsContact CD2-CE2 3.47Å; L35-Y220 HydrophobicContact CD2-CG 3.63Å; E38-Y220 HydrophobicContact CB-CD1 4.29Å; E39-Y220 HydrophobicContact CB-CE1 4.12Å; E39-Y220 PolarHBondContact OE2-OH 3.33Å; L132-Y220 HydrophobicContact CB-CE2 4.32Å; L132-Y220 HydrophobicContact CD2-CE2 3.94Å; L132-Y220 VanDerWaalsContact CD2-OH 3.3Å; L132-Y220 WeakPolarHBondContact CD2-OH 3.33Å; F133-Y220 PolarHBondContact O-N 2.77Å; L134-Y220 HydrophobicContact CB-CD2 4.44Å; N211-Y220 PolarHBondContact OD1-N 2.64Å; N211-Y220 PolarHBondContact OD1-O 2.83Å; Y220-S222 PolarHBondContact O-N 3.3Å |
| 221 | W | 95.8 | Very high | 92.6 | Very high | 59 Ų | 59 | 54.5 Ų | 54.5 | 22% | 0.223 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -50.4 | 128.8 | 170.3 | -75.1 | 108.7 | 0 | 0 | 0 | 112.3 | I169 E171 R209 N211 | I169-W221 HydrophobicContact CB-CH2 4.42Å; I169-W221 HydrophobicContact CD1-CH2 3.53Å; I169-W221 HydrophobicContact CD1-CZ2 3.52Å; I169-W221 HydrophobicContact CD1-CZ3 4.48Å; I169-W221 HydrophobicContact CG1-CH2 3.73Å; I169-W221 HydrophobicContact CG1-CZ2 4.21Å; I169-W221 HydrophobicContact CG1-CZ3 4.3Å; E171-W221 HydrophobicContact CB-CH2 4.03Å; E171-W221 HydrophobicContact CB-CZ3 4.04Å; E171-W221 HydrophobicContact CG-CH2 3.56Å; E171-W221 HydrophobicContact CG-CZ2 3.9Å; E171-W221 HydrophobicContact CG-CZ3 4.08Å; E171-W221 WeakPolarHBondContact OE1-CZ2 3.27Å; R209-W221 HydrophobicContact CB-CE3 4.48Å; R209-W221 HydrophobicContact CG-CD2 4.45Å; R209-W221 HydrophobicContact CG-CE3 3.65Å; R209-W221 HydrophobicContact CG-CZ3 4.03Å; R209-W221 VanDerWaalsContact CZ-CG 3.49Å; R209-W221 VanDerWaalsContact NH1-CB 3.26Å; N211-W221 HydrophobicContact CB-CD2 3.76Å; N211-W221 HydrophobicContact CB-CE3 3.61Å; N211-W221 HydrophobicContact CB-CG 4.31Å; N211-W221 HydrophobicContact CB-CH2 4.26Å; N211-W221 HydrophobicContact CB-CZ2 4.4Å; N211-W221 HydrophobicContact CB-CZ3 3.87Å |
| 222 | S | 95.4 | Very high | 92.3 | Very high | 4 Ų | 4 | 54.3 Ų | 54.3 | 3% | 0.028 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -57.1 | 165.1 | 170.1 | 75.9 | 0 | 0 | 0 | 0 | 111.2 | L135 R209 V210 Y220 | L135-S222 WeakPolarHBondContact O-CB 3.24Å; R209-S222 WeakPolarHBondContact CA-OG 3.43Å; R209-S222 WeakPolarHBondContact CB-OG 3.36Å; V210-S222 PolarHBondContact N-OG 3.5Å; V210-S222 WeakPolarHBondContact O-CB 3.3Å; V210-S222 PolarHBondContact O-N 3.13Å; V210-S222 PolarHBondContact O-OG 2.8Å; Y220-S222 PolarHBondContact O-N 3.3Å |
| 223 | A | 94.8 | Very high | 91.8 | Very high | 16 Ų | 16 | 57.3 Ų | 57.3 | 13% | 0.132 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -54.3 | 157 | 158.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | R30 I34 P137 | R30-A223 HydrophobicContact CG-CB 4.47Å; I34-A223 HydrophobicContact CD1-CB 3.99Å; P137-A223 WeakPolarHBondContact CB-O 3.03Å |
| 224 | W | 94.8 | Very high | 91.4 | Very high | 62 Ų | 62 | 57.4 Ų | 57.4 | 24% | 0.235 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -65.4 | 142.9 | 165.5 | -65.5 | 106.5 | 0 | 0 | 0 | 110.5 | R30 E171 L173 V184 Q207 R209 | R30-W224 PolarHBondContact NH2-O 3.42Å; E171-W224 HydrophobicContact CB-CH2 4.05Å; E171-W224 HydrophobicContact CB-CZ3 4.28Å; L173-W224 HydrophobicContact CB-CD2 4.49Å; L173-W224 HydrophobicContact CB-CE3 3.92Å; L173-W224 HydrophobicContact CB-CH2 3.56Å; L173-W224 HydrophobicContact CB-CZ2 4.14Å; L173-W224 HydrophobicContact CB-CZ3 3.41Å; L173-W224 VanDerWaalsContact CB-CZ3 3.41Å; L173-W224 HydrophobicContact CD2-CD2 4.28Å; L173-W224 HydrophobicContact CD2-CE3 4.48Å; L173-W224 HydrophobicContact CD2-CZ2 4.32Å; V184-W224 HydrophobicContact CG1-CH2 4.33Å; V184-W224 HydrophobicContact CG2-CH2 4.47Å; Q207-W224 HydrophobicContact CB-CB 4.32Å; Q207-W224 HydrophobicContact CB-CE3 4Å; R209-W224 HydrophobicContact CB-CD2 4.23Å; R209-W224 HydrophobicContact CB-CE3 3.8Å; R209-W224 HydrophobicContact CB-CZ3 4.07Å; R209-W224 HydrophobicContact CG-CD2 4.19Å; R209-W224 HydrophobicContact CG-CE3 3.73Å; R209-W224 HydrophobicContact CG-CH2 3.75Å; R209-W224 HydrophobicContact CG-CZ2 4.22Å; R209-W224 HydrophobicContact CG-CZ3 3.5Å |
| 225 | S | 95.3 | Very high | 90.9 | Very high | 5 Ų | 5 | 59.8 Ų | 59.8 | 4% | 0.035 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -56.9 | 165.9 | 167.6 | 74.7 | 0 | 0 | 0 | 0 | 111.6 | Q207 V208 | Q207-S225 PolarHBondContact NE2-O 2.91Å; V208-S225 PolarHBondContact N-OG 2.85Å; V208-S225 VanDerWaalsContact O-CB 3.31Å; V208-S225 WeakPolarHBondContact O-CB 3.44Å; V208-S225 PolarHBondContact O-N 2.97Å |
| 226 | D | 92.9 | Very high | 90.1 | Very high | 126 Ų | 126 | 57.8 Ų | 57.8 | 67% | 0.674 | 31% | 0.312 | S | S | * | . | P | Polyproline II helix | trans | -58.3 | 142.8 | 165.5 | -56.3 | -51.1 | 0 | 0 | 0 | 110 | V228 | D226-V228 PolarHBondContact O-N 2.75Š|
| 227 | P | 93.8 | Very high | 89.1 | Confident | 60 Ų | 60 | 60.7 Ų | 60.7 | 39% | 0.39 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -74.9 | 122.6 | -176.1 | 28.7 | -34 | 0 | 0 | 0 | 112 | Q207 F229 | Q207-P227 HydrophobicContact CG-CB 3.84Å; P227-F229 HydrophobicContact CB-CE2 3.92Å; P227-F229 HydrophobicContact CB-CZ 4.24Å; P227-F229 HydrophobicContact CG-CE2 3.97Å; P227-F229 HydrophobicContact CG-CZ 4.41Å |
| 228 | V | 94.3 | Very high | 88.3 | Confident | 40 Ų | 40 | 62.6 Ų | 62.6 | 24% | 0.242 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 129.1 | 170.9 | -174.7 | 0 | 0 | 0 | 0 | 108.6 | V141 V143 R205 V206 D226 | V141-V228 HydrophobicContact CB-CG2 3.91Å; V141-V228 HydrophobicContact CG1-CG2 3.84Å; V141-V228 WeakPolarHBondContact O-CG2 3.47Å; V143-V228 HydrophobicContact CB-CG1 4.31Å; V143-V228 HydrophobicContact CG2-CB 4.09Å; V143-V228 HydrophobicContact CG2-CG1 3.8Å; R205-V228 WeakPolarHBondContact CA-O 3.45Å; V206-V228 PolarHBondContact N-O 2.62Å; V206-V228 PolarHBondContact O-N 2.69Å; D226-V228 PolarHBondContact O-N 2.75Å |
| 229 | F | 93 | Very high | 87.6 | Confident | 111 Ų | 111 | 64.2 Ų | 64.2 | 49% | 0.487 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 132.7 | 177.1 | -64.3 | -94.4 | 0 | 0 | 0 | 110.3 | A177 Y204 R205 P227 | A177-F229 HydrophobicContact CB-CD1 4.37Å; A177-F229 HydrophobicContact CB-CE1 4.42Å; Y204-F229 WeakPolarHBondContact O-CA 3.45Å; R205-F229 HydrophobicContact CB-CD1 3.91Å; R205-F229 HydrophobicContact CB-CE1 3.66Å; R205-F229 HydrophobicContact CB-CZ 4.28Å; P227-F229 HydrophobicContact CB-CE2 3.92Å; P227-F229 HydrophobicContact CB-CZ 4.24Å; P227-F229 HydrophobicContact CG-CE2 3.97Å; P227-F229 HydrophobicContact CG-CZ 4.41Å |
| 230 | T | 90.8 | Very high | 87.1 | Confident | 34 Ų | 34 | 68.8 Ų | 68.8 | 21% | 0.209 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 163.6 | 174.2 | -165.8 | 0 | 0 | 0 | 0 | 110.7 | V143 L152 K203 Y204 | V143-T230 HydrophobicContact CB-CG2 4.09Å; V143-T230 HydrophobicContact CG1-CG2 3.64Å; L152-T230 HydrophobicContact CD1-CG2 3.51Å; L152-T230 HydrophobicContact CD2-CG2 3.89Å; L152-T230 HydrophobicContact CG-CG2 4.35Å; K203-T230 CarbonylContact C-O 3.38Å; K203-T230 WeakPolarHBondContact CA-O 3.37Å; Y204-T230 PolarHBondContact N-O 2.6Å; Y204-T230 PolarHBondContact O-N 3.42Å |
| 231 | E | 89.8 | Confident | 86.5 | Confident | 115 Ų | 115 | 72 Ų | 72 | 54% | 0.537 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 134.8 | 176.7 | -77.3 | 152.1 | -146.5 | 0 | 0 | 109.1 | K203 | K203-E231 HydrophobicContact CB-CG 3.74Å; K203-E231 HydrophobicContact CD-CG 4.46Å; K203-E231 HydrophobicContact CG-CG 3.86Å; K203-E231 IonicContact NZ-OE1 2.97Å; K203-E231 PolarHBondContact NZ-OE1 2.93Å |
| 232 | T | 88.8 | Confident | 86.1 | Confident | 7 Ų | 7 | 72 Ų | 72 | 4% | 0.043 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 156.7 | 172.7 | 52.8 | 0 | 0 | 0 | 0 | 110.2 | L152 L198 E199 G201 T202 Y204 | L152-T232 HydrophobicContact CD1-CG2 4.09Å; L152-T232 HydrophobicContact CD2-CG2 4.42Å; L152-T232 HydrophobicContact CG-CG2 4.15Å; L198-T232 HydrophobicContact CB-CG2 3.94Å; L198-T232 HydrophobicContact CD1-CG2 4.08Å; E199-T232 WeakPolarHBondContact O-CB 3.42Å; E199-T232 WeakPolarHBondContact O-CG2 3.44Å; E199-T232 PolarHBondContact O-OG1 3.46Å; G201-T232 PolarHBondContact N-OG1 2.91Å; T202-T232 PolarHBondContact N-OG1 3.01Å; T202-T232 PolarHBondContact O-N 2.81Å; T202-T232 PolarHBondContact O-OG1 3.47Å; Y204-T232 HydrophobicContact CD2-CG2 3.79Å; Y204-T232 HydrophobicContact CE2-CG2 3.9Å |
| 233 | L | 83.7 | Confident | 85.8 | Confident | 64 Ų | 64 | 74.5 Ų | 74.5 | 34% | 0.335 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -56.3 | 140.4 | 171.6 | -69 | 173.2 | 0 | 0 | 0 | 110 | S145 A200 G201 | S145-L233 WeakPolarHBondContact OG-CD1 3.42Å; S145-L233 WeakPolarHBondContact OG-CG 3.42Å; A200-L233 CarbonylContact C-O 3.58Å; A200-L233 WeakPolarHBondContact CA-O 3.37Å; A200-L233 WeakPolarHBondContact CB-O 3.25Å; G201-L233 PolarHBondContact N-O 2.98Å |
| 234 | P | 80.5 | Confident | 85.7 | Confident | 94 Ų | 94 | 77.8 Ų | 77.8 | 61% | 0.61 | 43% | 0.427 | S | S | * | . | P | Polyproline II helix | trans | -61.5 | 156.1 | 175.9 | 28.5 | -35.8 | 0 | 0 | 0 | 110.5 | E236 | P234-E236 PolarHBondContact O-N 3.25Š|
| 235 | A | 75.3 | Confident | 85.6 | Confident | 66 Ų | 66 | 78.6 Ų | 78.6 | 55% | 0.545 | 44% | 0.439 | S | S | . | . | trans | -61.2 | 112.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | A200 L237 | A200-A235 HydrophobicContact CB-CB 3.94Å; A235-L237 PolarHBondContact O-N 2.04Å | ||
| 236 | E | 69.6 | Low | 85.5 | Confident | 140 Ų | 140 | 85.7 Ų | 85.7 | 65% | 0.654 | 47% | 0.47 | S | S | * | . | trans | -76.4 | 115.4 | 168.4 | -149.3 | -179.4 | 179.3 | 0 | 0 | 106.1 | Q149 P234 D238 | Q149-E236 HydrophobicContact CG-CB 4.5Å; P234-E236 PolarHBondContact O-N 3.25Å; E236-D238 PolarHBondContact O-N 3.08Å | ||
| 237 | L | 67.9 | Low | 85.6 | Confident | 135 Ų | 135 | 83.7 Ų | 83.7 | 71% | 0.707 | 46% | 0.458 | S | S | * | . | trans | -61.7 | 109.2 | 177 | -66 | 171 | 0 | 0 | 0 | 108.2 | A235 P239 V242 | A235-L237 PolarHBondContact O-N 2.04Å; L237-P239 WeakPolarHBondContact O-CD 3.43Å; L237-P239 VanDerWaalsContact O-N 3.14Å; L237-V242 HydrophobicContact CB-CG2 3.61Å | ||
| 238 | D | 74.6 | Confident | 85.6 | Confident | 71 Ų | 71 | 85.4 Ų | 85.4 | 38% | 0.38 | 46% | 0.463 | S | S | . | . | trans | -44.5 | 120.9 | -179 | 172.5 | 6.1 | 0 | 0 | 0 | 110 | E236 L240 I241 V242 | E236-D238 PolarHBondContact O-N 3.08Å; D238-L240 PolarHBondContact O-N 3.23Å; D238-L240 VanDerWaalsContact OD1-CB 3.28Å; D238-L240 WeakPolarHBondContact OD1-CB 3.39Å; D238-L240 PolarHBondContact OD1-N 3.3Å; D238-L240 WeakPolarHBondContact OD2-CB 3.35Å; D238-I241 HydrophobicContact CB-CB 4.22Å; D238-I241 HydrophobicContact CB-CD1 3.93Å; D238-I241 HydrophobicContact CB-CG1 3.91Å; D238-I241 WeakPolarHBondContact O-CA 3.48Å; D238-I241 WeakPolarHBondContact O-CB 3.3Å; D238-I241 PolarHBondContact O-N 2.95Å; D238-V242 PolarHBondContact O-N 2.88Å | ||
| 239 | P | 79.9 | Confident | 85.7 | Confident | 97 Ų | 97 | 86.8 Ų | 86.8 | 63% | 0.63 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -52.1 | -27.4 | 178.2 | -29.2 | 36.3 | 0 | 0 | 0 | 113.6 | L237 S243 | L237-P239 WeakPolarHBondContact O-CD 3.43Å; L237-P239 VanDerWaalsContact O-N 3.14Å; P239-S243 WeakPolarHBondContact O-CB 3.31Å; P239-S243 PolarHBondContact O-N 3.27Å |
| 240 | L | 82.5 | Confident | 85.8 | Confident | 110 Ų | 110 | 87.7 Ų | 87.7 | 58% | 0.576 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -66.3 | -46.7 | 171.9 | -167.1 | 76.1 | 0 | 0 | 0 | 111.8 | D238 S243 L244 | D238-L240 PolarHBondContact O-N 3.23Å; D238-L240 VanDerWaalsContact OD1-CB 3.28Å; D238-L240 WeakPolarHBondContact OD1-CB 3.39Å; D238-L240 PolarHBondContact OD1-N 3.3Å; D238-L240 WeakPolarHBondContact OD2-CB 3.35Å; L240-S243 PolarHBondContact O-N 2.86Å; L240-L244 HydrophobicContact CD2-CD1 4.47Å; L240-L244 HydrophobicContact CG-CD1 4.03Å; L240-L244 WeakPolarHBondContact O-CB 3.47Å; L240-L244 WeakPolarHBondContact O-CG 3.4Å; L240-L244 PolarHBondContact O-N 2.96Å |
| 241 | I | 83.5 | Confident | 86.1 | Confident | 97 Ų | 97 | 90.2 Ų | 90.2 | 50% | 0.497 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.5 | -42.3 | 177.5 | -61.8 | 177.7 | 0 | 0 | 0 | 110.7 | D238 L244 T245 | D238-I241 HydrophobicContact CB-CB 4.22Å; D238-I241 HydrophobicContact CB-CD1 3.93Å; D238-I241 HydrophobicContact CB-CG1 3.91Å; D238-I241 WeakPolarHBondContact O-CA 3.48Å; D238-I241 WeakPolarHBondContact O-CB 3.3Å; D238-I241 PolarHBondContact O-N 2.95Å; I241-L244 PolarHBondContact O-N 2.84Å; I241-T245 WeakPolarHBondContact O-CB 3.29Å; I241-T245 WeakPolarHBondContact O-CG2 3.11Å; I241-T245 PolarHBondContact O-N 3.19Å; I241-T245 PolarHBondContact O-OG1 2.76Å |
| 242 | V | 86.3 | Confident | 86.4 | Confident | 57 Ų | 57 | 89.4 Ų | 89.4 | 35% | 0.345 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64 | -42 | 175.5 | -178 | 0 | 0 | 0 | 0 | 111.1 | L237 D238 T245 F246 | L237-V242 HydrophobicContact CB-CG2 3.61Å; D238-V242 PolarHBondContact O-N 2.88Å; V242-T245 WeakPolarHBondContact CA-OG1 3.45Å; V242-T245 PolarHBondContact O-OG1 3.2Å; V242-F246 HydrophobicContact CG1-CD2 4.46Å; V242-F246 PolarHBondContact O-N 3.29Å; V242-F246 VanDerWaalsContact O-N 3.08Å |
| 243 | S | 89.6 | Confident | 86.7 | Confident | 58 Ų | 58 | 93.3 Ų | 93.3 | 41% | 0.406 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.3 | -49.1 | 174.8 | -177.9 | 0 | 0 | 0 | 0 | 112.1 | P239 L240 T245 F246 I247 | P239-S243 WeakPolarHBondContact O-CB 3.31Å; P239-S243 PolarHBondContact O-N 3.27Å; L240-S243 PolarHBondContact O-N 2.86Å; S243-T245 PolarHBondContact O-N 2.82Å; S243-F246 WeakPolarHBondContact O-CB 3.36Å; S243-F246 PolarHBondContact O-N 2.6Å; S243-I247 VanDerWaalsContact O-CG1 3.27Å; S243-I247 WeakPolarHBondContact O-CG1 3.28Å; S243-I247 PolarHBondContact O-N 3.3Å |
| 244 | L | 92.2 | Very high | 87.3 | Confident | 84 Ų | 84 | 93.9 Ų | 93.9 | 44% | 0.44 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.6 | -42.7 | 179.7 | -74.1 | 169.2 | 0 | 0 | 0 | 112.1 | L240 I241 I247 I248 | L240-L244 HydrophobicContact CD2-CD1 4.47Å; L240-L244 HydrophobicContact CG-CD1 4.03Å; L240-L244 WeakPolarHBondContact O-CB 3.47Å; L240-L244 WeakPolarHBondContact O-CG 3.4Å; L240-L244 PolarHBondContact O-N 2.96Å; I241-L244 PolarHBondContact O-N 2.84Å; L244-I247 PolarHBondContact O-N 2.94Å; L244-I248 WeakPolarHBondContact O-CB 3.47Å; L244-I248 WeakPolarHBondContact O-CD1 3.2Å; L244-I248 VanDerWaalsContact O-CG1 3.24Å; L244-I248 WeakPolarHBondContact O-CG1 3.32Å; L244-I248 PolarHBondContact O-N 3.37Å |
| 245 | T | 92.6 | Very high | 88 | Confident | 79 Ų | 79 | 94 Ų | 94 | 49% | 0.485 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.3 | -37.8 | 175.6 | 49 | 0 | 0 | 0 | 0 | 112.3 | I241 V242 S243 S249 | I241-T245 WeakPolarHBondContact O-CB 3.29Å; I241-T245 WeakPolarHBondContact O-CG2 3.11Å; I241-T245 PolarHBondContact O-N 3.19Å; I241-T245 PolarHBondContact O-OG1 2.76Å; V242-T245 WeakPolarHBondContact CA-OG1 3.45Å; V242-T245 PolarHBondContact O-OG1 3.2Å; S243-T245 PolarHBondContact O-N 2.82Å; T245-S249 VanDerWaalsContact O-CB 3.24Å; T245-S249 WeakPolarHBondContact O-CB 3.17Å; T245-S249 PolarHBondContact O-N 2.88Å |
| 246 | F | 93.3 | Very high | 88.9 | Confident | 155 Ų | 155 | 95 Ų | 95 | 68% | 0.68 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.7 | -44.4 | 170.6 | -108.9 | -86.4 | 0 | 0 | 0 | 112.7 | V242 S243 S249 F250 | V242-F246 HydrophobicContact CG1-CD2 4.46Å; V242-F246 PolarHBondContact O-N 3.29Å; V242-F246 VanDerWaalsContact O-N 3.08Å; S243-F246 WeakPolarHBondContact O-CB 3.36Å; S243-F246 PolarHBondContact O-N 2.6Å; F246-S249 PolarHBondContact O-N 2.65Å; F246-F250 WeakPolarHBondContact O-CB 3.38Å; F246-F250 PolarHBondContact O-N 3.11Å |
| 247 | I | 95.1 | Very high | 90 | Very high | 83 Ų | 83 | 92.8 Ų | 92.8 | 43% | 0.426 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.6 | -46.5 | 179.2 | -69.4 | 162.3 | 0 | 0 | 0 | 110.7 | S243 L244 F250 I251 | S243-I247 VanDerWaalsContact O-CG1 3.27Å; S243-I247 WeakPolarHBondContact O-CG1 3.28Å; S243-I247 PolarHBondContact O-N 3.3Å; L244-I247 PolarHBondContact O-N 2.94Å; I247-F250 PolarHBondContact O-N 3.14Å; I247-I251 HydrophobicContact CG2-CD1 3.82Å; I247-I251 VanDerWaalsContact O-CG1 3.31Å; I247-I251 WeakPolarHBondContact O-CG1 3.46Å; I247-I251 PolarHBondContact O-N 3.1Å |
| 248 | I | 95.1 | Very high | 91.1 | Very high | 97 Ų | 97 | 90.1 Ų | 90.1 | 50% | 0.497 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.9 | -44.6 | 177.2 | -68.8 | 163.6 | 0 | 0 | 0 | 110.5 | L244 F250 I251 L252 | L244-I248 WeakPolarHBondContact O-CB 3.47Å; L244-I248 WeakPolarHBondContact O-CD1 3.2Å; L244-I248 VanDerWaalsContact O-CG1 3.24Å; L244-I248 WeakPolarHBondContact O-CG1 3.32Å; L244-I248 PolarHBondContact O-N 3.37Å; I248-F250 PolarHBondContact O-N 3.44Å; I248-I251 PolarHBondContact O-N 2.99Å; I248-L252 HydrophobicContact CG2-CD1 3.98Å; I248-L252 WeakPolarHBondContact O-CB 3.3Å; I248-L252 WeakPolarHBondContact O-CG 3.35Å; I248-L252 PolarHBondContact O-N 3.25Å |
| 249 | S | 95.8 | Very high | 91.9 | Very high | 68 Ų | 68 | 93 Ų | 93 | 48% | 0.476 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.6 | -45.1 | 175.3 | -175.1 | 0 | 0 | 0 | 0 | 111.9 | T245 F246 L252 V253 | T245-S249 VanDerWaalsContact O-CB 3.24Å; T245-S249 WeakPolarHBondContact O-CB 3.17Å; T245-S249 PolarHBondContact O-N 2.88Å; F246-S249 PolarHBondContact O-N 2.65Å; S249-L252 PolarHBondContact O-N 2.98Å; S249-V253 WeakPolarHBondContact O-CG2 3.3Å; S249-V253 PolarHBondContact O-N 2.73Å |
| 250 | F | 95.9 | Very high | 92.4 | Very high | 131 Ų | 131 | 94.9 Ų | 94.9 | 58% | 0.575 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.5 | -42.7 | 177.8 | -176.7 | -111 | 0 | 0 | 0 | 112.6 | F246 I247 I248 V253 L254 | F246-F250 WeakPolarHBondContact O-CB 3.38Å; F246-F250 PolarHBondContact O-N 3.11Å; I247-F250 PolarHBondContact O-N 3.14Å; I248-F250 PolarHBondContact O-N 3.44Å; F250-V253 PolarHBondContact O-N 2.91Å; F250-L254 HydrophobicContact CD1-CD1 3.95Å; F250-L254 HydrophobicContact CE1-CD1 3.51Å; F250-L254 HydrophobicContact CE1-CG 4.31Å; F250-L254 HydrophobicContact CZ-CD1 3.84Å; F250-L254 HydrophobicContact CZ-CD2 4.48Å; F250-L254 HydrophobicContact CZ-CG 4.27Å; F250-L254 WeakPolarHBondContact O-CG 3.22Å; F250-L254 PolarHBondContact O-N 3.44Å |
| 251 | I | 96.3 | Very high | 92.6 | Very high | 86 Ų | 86 | 93.5 Ų | 93.5 | 44% | 0.441 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.5 | -45 | 175 | -68.3 | 165.6 | 0 | 0 | 0 | 110.7 | I247 I248 V253 L254 L255 | I247-I251 HydrophobicContact CG2-CD1 3.82Å; I247-I251 VanDerWaalsContact O-CG1 3.31Å; I247-I251 WeakPolarHBondContact O-CG1 3.46Å; I247-I251 PolarHBondContact O-N 3.1Å; I248-I251 PolarHBondContact O-N 2.99Å; I251-V253 PolarHBondContact O-N 3.46Å; I251-L254 PolarHBondContact O-N 2.78Å; I251-L255 HydrophobicContact CG2-CD1 3.95Å; I251-L255 HydrophobicContact CG2-CG 4.42Å; I251-L255 WeakPolarHBondContact O-CG 3.37Å; I251-L255 PolarHBondContact O-N 3.18Å |
| 252 | L | 95.8 | Very high | 92.6 | Very high | 99 Ų | 99 | 91.6 Ų | 91.6 | 52% | 0.518 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.3 | -44.1 | 175.9 | -75.2 | 167.2 | 0 | 0 | 0 | 111.9 | I248 S249 L254 L255 C256 | I248-L252 HydrophobicContact CG2-CD1 3.98Å; I248-L252 WeakPolarHBondContact O-CB 3.3Å; I248-L252 WeakPolarHBondContact O-CG 3.35Å; I248-L252 PolarHBondContact O-N 3.25Å; S249-L252 PolarHBondContact O-N 2.98Å; L252-L254 PolarHBondContact O-N 2.84Å; L252-L255 PolarHBondContact O-N 2.87Å; L252-C256 WeakPolarHBondContact O-CB 3.42Å; L252-C256 PolarHBondContact O-N 3.3Å; L252-C256 PolarHBondContact O-SG 3.03Å; L252-C256 VanDerWaalsContact O-SG 3.36Å |
| 253 | V | 95.6 | Very high | 92.4 | Very high | 88 Ų | 88 | 94.1 Ų | 94.1 | 53% | 0.533 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.9 | -41.8 | 175.8 | 169.5 | 0 | 0 | 0 | 0 | 111.5 | S249 F250 I251 C256 L257 | S249-V253 WeakPolarHBondContact O-CG2 3.3Å; S249-V253 PolarHBondContact O-N 2.73Å; F250-V253 PolarHBondContact O-N 2.91Å; I251-V253 PolarHBondContact O-N 3.46Å; V253-C256 PolarHBondContact O-N 3.11Å; V253-L257 VanDerWaalsContact O-CB 3.28Å; V253-L257 WeakPolarHBondContact O-CB 3.2Å; V253-L257 PolarHBondContact O-N 2.94Å |
| 254 | L | 95.4 | Very high | 91.9 | Very high | 76 Ų | 76 | 95.6 Ų | 95.6 | 40% | 0.398 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.2 | -39.1 | 175.1 | -72.7 | 176.7 | 0 | 0 | 0 | 112.7 | F250 I251 L252 L257 T258 | F250-L254 HydrophobicContact CD1-CD1 3.95Å; F250-L254 HydrophobicContact CE1-CD1 3.51Å; F250-L254 HydrophobicContact CE1-CG 4.31Å; F250-L254 HydrophobicContact CZ-CD1 3.84Å; F250-L254 HydrophobicContact CZ-CD2 4.48Å; F250-L254 HydrophobicContact CZ-CG 4.27Å; F250-L254 WeakPolarHBondContact O-CG 3.22Å; F250-L254 PolarHBondContact O-N 3.44Å; I251-L254 PolarHBondContact O-N 2.78Å; L252-L254 PolarHBondContact O-N 2.84Å; L254-L257 PolarHBondContact O-N 2.89Å; L254-T258 WeakPolarHBondContact O-CB 2.93Å; L254-T258 WeakPolarHBondContact O-CG2 3.41Å; L254-T258 PolarHBondContact O-N 2.98Å; L254-T258 PolarHBondContact O-OG1 3.17Å |
| 255 | L | 95.4 | Very high | 91 | Very high | 98 Ų | 98 | 100.2 Ų | 100.2 | 51% | 0.513 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.1 | -44.5 | 175.2 | -70.9 | 170.7 | 0 | 0 | 0 | 111.4 | I251 L252 L257 T258 M259 | I251-L255 HydrophobicContact CG2-CD1 3.95Å; I251-L255 HydrophobicContact CG2-CG 4.42Å; I251-L255 WeakPolarHBondContact O-CG 3.37Å; I251-L255 PolarHBondContact O-N 3.18Å; L252-L255 PolarHBondContact O-N 2.87Å; L255-L257 PolarHBondContact O-N 3.35Å; L255-T258 WeakPolarHBondContact CA-OG1 3.05Å; L255-T258 PolarHBondContact O-N 3.06Å; L255-T258 PolarHBondContact O-OG1 2.86Å; L255-T258 VanDerWaalsContact O-OG1 3.09Å; L255-M259 VanDerWaalsContact O-CB 3.32Å; L255-M259 WeakPolarHBondContact O-CB 3.22Å; L255-M259 VanDerWaalsContact O-CG 3.3Å; L255-M259 WeakPolarHBondContact O-CG 3.42Å; L255-M259 PolarHBondContact O-N 2.79Å |
| 256 | C | 93.9 | Very high | 90.1 | Very high | 86 Ų | 86 | 102.3 Ų | 102.3 | 58% | 0.581 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.3 | -42.3 | 172.8 | -71.1 | 0 | 0 | 0 | 0 | 112.2 | L252 V253 F260 | L252-C256 WeakPolarHBondContact O-CB 3.42Å; L252-C256 PolarHBondContact O-N 3.3Å; L252-C256 PolarHBondContact O-SG 3.03Å; L252-C256 VanDerWaalsContact O-SG 3.36Å; V253-C256 PolarHBondContact O-N 3.11Å; C256-F260 VanDerWaalsContact O-CB 3.3Å; C256-F260 WeakPolarHBondContact O-CB 3.41Å; C256-F260 PolarHBondContact O-N 2.96Å |
| 257 | L | 93.3 | Very high | 89 | Confident | 94 Ų | 94 | 98.8 Ų | 98.8 | 49% | 0.492 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.8 | -43.9 | 178.8 | -167.5 | 78.9 | 0 | 0 | 0 | 111.7 | V253 L254 L255 F260 L261 | V253-L257 VanDerWaalsContact O-CB 3.28Å; V253-L257 WeakPolarHBondContact O-CB 3.2Å; V253-L257 PolarHBondContact O-N 2.94Å; L254-L257 PolarHBondContact O-N 2.89Å; L255-L257 PolarHBondContact O-N 3.35Å; L257-F260 PolarHBondContact O-N 3.27Å; L257-L261 HydrophobicContact CD2-CD1 4.4Å; L257-L261 HydrophobicContact CG-CD1 4.09Å; L257-L261 WeakPolarHBondContact O-CB 3.42Å; L257-L261 VanDerWaalsContact O-CG 3.24Å; L257-L261 WeakPolarHBondContact O-CG 3.27Å; L257-L261 PolarHBondContact O-N 2.89Å |
| 258 | T | 91.6 | Very high | 87.6 | Confident | 79 Ų | 79 | 99 Ų | 99 | 49% | 0.485 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.3 | -36.4 | 178 | 49.1 | 0 | 0 | 0 | 0 | 112.3 | L254 L255 L261 S262 | L254-T258 WeakPolarHBondContact O-CB 2.93Å; L254-T258 WeakPolarHBondContact O-CG2 3.41Å; L254-T258 PolarHBondContact O-N 2.98Å; L254-T258 PolarHBondContact O-OG1 3.17Å; L255-T258 WeakPolarHBondContact CA-OG1 3.05Å; L255-T258 PolarHBondContact O-N 3.06Å; L255-T258 PolarHBondContact O-OG1 2.86Å; L255-T258 VanDerWaalsContact O-OG1 3.09Å; T258-L261 PolarHBondContact O-N 3.04Å; T258-S262 WeakPolarHBondContact O-CB 3.34Å; T258-S262 PolarHBondContact O-N 2.82Å; T258-S262 PolarHBondContact O-OG 3.08Å |
| 259 | M | 90.6 | Very high | 86.2 | Confident | 130 Ų | 130 | 102.6 Ų | 102.6 | 64% | 0.64 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -67.3 | -39.5 | 170.7 | -74.7 | -63.3 | -69.6 | 0 | 0 | 112.5 | L255 S262 H263 | L255-M259 VanDerWaalsContact O-CB 3.32Å; L255-M259 WeakPolarHBondContact O-CB 3.22Å; L255-M259 VanDerWaalsContact O-CG 3.3Å; L255-M259 WeakPolarHBondContact O-CG 3.42Å; L255-M259 PolarHBondContact O-N 2.79Å; M259-S262 PolarHBondContact O-N 2.79Å; M259-S262 PolarHBondContact O-OG 3.18Å; M259-H263 VanDerWaalsContact O-CB 3.24Å; M259-H263 WeakPolarHBondContact O-CB 3.04Å; M259-H263 PolarHBondContact O-N 2.78Å |
| 260 | F | 90.2 | Very high | 84.8 | Confident | 138 Ų | 138 | 107 Ų | 107 | 61% | 0.605 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.9 | -43.4 | 173.8 | -178.8 | -97.8 | 0 | 0 | 0 | 111.4 | C256 L257 H263 H264 | C256-F260 VanDerWaalsContact O-CB 3.3Å; C256-F260 WeakPolarHBondContact O-CB 3.41Å; C256-F260 PolarHBondContact O-N 2.96Å; L257-F260 PolarHBondContact O-N 3.27Å; F260-H263 PolarHBondContact O-N 3.06Å; F260-H264 WeakPolarHBondContact O-CB 3.06Å; F260-H264 PolarHBondContact O-N 2.94Å |
| 261 | L | 86.6 | Confident | 83.2 | Confident | 80 Ų | 80 | 107.5 Ų | 107.5 | 42% | 0.419 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -70.2 | -32.4 | 177.9 | -70.9 | 171.1 | 0 | 0 | 0 | 113 | L257 T258 R265 | L257-L261 HydrophobicContact CD2-CD1 4.4Å; L257-L261 HydrophobicContact CG-CD1 4.09Å; L257-L261 WeakPolarHBondContact O-CB 3.42Å; L257-L261 VanDerWaalsContact O-CG 3.24Å; L257-L261 WeakPolarHBondContact O-CG 3.27Å; L257-L261 PolarHBondContact O-N 2.89Å; T258-L261 PolarHBondContact O-N 3.04Å; L261-R265 WeakPolarHBondContact O-CB 3.44Å; L261-R265 WeakPolarHBondContact O-CG 3.48Å; L261-R265 PolarHBondContact O-N 3.02Å |
| 262 | S | 84.9 | Confident | 81.4 | Confident | 57 Ų | 57 | 112.2 Ų | 112.2 | 40% | 0.399 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -70.7 | -45.1 | 173 | 73.3 | 0 | 0 | 0 | 0 | 110.7 | T258 M259 R265 F266 | T258-S262 WeakPolarHBondContact O-CB 3.34Å; T258-S262 PolarHBondContact O-N 2.82Å; T258-S262 PolarHBondContact O-OG 3.08Å; M259-S262 PolarHBondContact O-N 2.79Å; M259-S262 PolarHBondContact O-OG 3.18Å; S262-R265 PolarHBondContact O-N 2.71Å; S262-F266 VanDerWaalsContact O-CB 3.31Å; S262-F266 WeakPolarHBondContact O-CB 3.42Å; S262-F266 PolarHBondContact O-N 2.94Å |
| 263 | H | 80.9 | Confident | 79.5 | Confident | 110 Ų | 110 | 112.3 Ų | 112.3 | 51% | 0.509 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.7 | -39.6 | 175.6 | -163.2 | -102.6 | 0 | 0 | 0 | 111.9 | M259 F260 F266 L267 | M259-H263 VanDerWaalsContact O-CB 3.24Å; M259-H263 WeakPolarHBondContact O-CB 3.04Å; M259-H263 PolarHBondContact O-N 2.78Å; F260-H263 PolarHBondContact O-N 3.06Å; H263-F266 PolarHBondContact O-N 3.41Å; H263-L267 WeakPolarHBondContact ND1-CD1 3.18Å; H263-L267 WeakPolarHBondContact O-CB 3.3Å; H263-L267 VanDerWaalsContact O-CG 3.27Å; H263-L267 WeakPolarHBondContact O-CG 3.45Å; H263-L267 PolarHBondContact O-N 3.44Å |
| 264 | H | 78.8 | Confident | 77.7 | Confident | 90 Ų | 90 | 112.7 Ų | 112.7 | 42% | 0.417 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -66.6 | -41.9 | 175.1 | -172.2 | -111.4 | 0 | 0 | 0 | 112.1 | F260 F266 L267 I268 | F260-H264 WeakPolarHBondContact O-CB 3.06Å; F260-H264 PolarHBondContact O-N 2.94Å; H264-F266 VanDerWaalsContact C-N 3.32Å; H264-F266 PolarHBondContact O-N 2.83Å; H264-L267 PolarHBondContact O-N 2.79Å; H264-I268 VanDerWaalsContact CE1-CD1 3.5Å; H264-I268 WeakPolarHBondContact CE1-CD1 3.4Å; H264-I268 WeakPolarHBondContact O-CG1 3.42Å; H264-I268 PolarHBondContact O-N 2.77Å |
| 265 | R | 74.9 | Confident | 75.6 | Confident | 180 Ų | 180 | 115.6 Ų | 115.6 | 68% | 0.679 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -66.6 | -32.4 | 172.7 | -75.6 | -163.2 | -71.6 | -179.4 | -3.1 | 112.7 | L261 S262 K269 | L261-R265 WeakPolarHBondContact O-CB 3.44Å; L261-R265 WeakPolarHBondContact O-CG 3.48Å; L261-R265 PolarHBondContact O-N 3.02Å; S262-R265 PolarHBondContact O-N 2.71Å; R265-K269 WeakPolarHBondContact O-CB 3.42Å; R265-K269 WeakPolarHBondContact O-CG 3.23Å; R265-K269 PolarHBondContact O-N 3.33Å; R265-K269 VanDerWaalsContact O-N 3.09Å |
| 266 | F | 73.2 | Confident | 73.4 | Confident | 124 Ų | 124 | 116.5 Ų | 116.5 | 54% | 0.544 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -69.5 | -43.6 | 172.9 | -178.2 | -101.9 | 0 | 0 | 0 | 111.9 | S262 H263 H264 K269 K270 | S262-F266 VanDerWaalsContact O-CB 3.31Å; S262-F266 WeakPolarHBondContact O-CB 3.42Å; S262-F266 PolarHBondContact O-N 2.94Å; H263-F266 PolarHBondContact O-N 3.41Å; H264-F266 VanDerWaalsContact C-N 3.32Å; H264-F266 PolarHBondContact O-N 2.83Å; F266-K269 PolarHBondContact O-N 3.49Å; F266-K270 HydrophobicContact CE1-CD 4.32Å; F266-K270 WeakPolarHBondContact O-CB 3.19Å; F266-K270 PolarHBondContact O-N 2.9Å |
| 267 | L | 69.1 | Low | 71.5 | Confident | 81 Ų | 81 | 116.7 Ų | 116.7 | 42% | 0.424 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -62.4 | -44.9 | 174.3 | -75.4 | 173.5 | 0 | 0 | 0 | 111.8 | H263 H264 K269 K270 L271 | H263-L267 WeakPolarHBondContact ND1-CD1 3.18Å; H263-L267 WeakPolarHBondContact O-CB 3.3Å; H263-L267 VanDerWaalsContact O-CG 3.27Å; H263-L267 WeakPolarHBondContact O-CG 3.45Å; H263-L267 PolarHBondContact O-N 3.44Å; H264-L267 PolarHBondContact O-N 2.79Å; L267-K269 PolarHBondContact O-N 3.32Å; L267-K270 CarbonylContact O-C 3.53Å; L267-K270 PolarHBondContact O-N 2.91Å; L267-K270 VanDerWaalsContact O-N 3.1Å; L267-L271 VanDerWaalsContact O-CB 3.24Å; L267-L271 WeakPolarHBondContact O-CB 3.49Å; L267-L271 PolarHBondContact O-N 3.22Å |
| 268 | I | 66.5 | Low | 69.6 | Low | 87 Ų | 87 | 115.3 Ų | 115.3 | 45% | 0.446 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -56.9 | -50.1 | 173.1 | -75.8 | 175.1 | 0 | 0 | 0 | 110.4 | H264 K270 L271 W272 | H264-I268 VanDerWaalsContact CE1-CD1 3.5Å; H264-I268 WeakPolarHBondContact CE1-CD1 3.4Å; H264-I268 WeakPolarHBondContact O-CG1 3.42Å; H264-I268 PolarHBondContact O-N 2.77Å; I268-K270 PolarHBondContact O-N 2.83Å; I268-L271 PolarHBondContact O-N 2.72Å; I268-W272 PolarHBondContact O-N 3.45Å |
| 269 | K | 65.1 | Low | 67.8 | Low | 172 Ų | 172 | 114.7 Ų | 114.7 | 75% | 0.748 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -62.1 | -22.2 | 177.2 | -78 | -175 | 172.4 | -167.9 | 0 | 114.4 | R265 F266 L267 | R265-K269 WeakPolarHBondContact O-CB 3.42Å; R265-K269 WeakPolarHBondContact O-CG 3.23Å; R265-K269 PolarHBondContact O-N 3.33Å; R265-K269 VanDerWaalsContact O-N 3.09Å; F266-K269 PolarHBondContact O-N 3.49Å; L267-K269 PolarHBondContact O-N 3.32Å |
| 270 | K | 66.6 | Low | 66.3 | Low | 160 Ų | 160 | 113.5 Ų | 113.5 | 70% | 0.696 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -94.8 | -26.2 | 179.8 | -168.4 | 173.9 | -178.7 | -179 | 0 | 113.3 | F266 L267 I268 | F266-K270 HydrophobicContact CE1-CD 4.32Å; F266-K270 WeakPolarHBondContact O-CB 3.19Å; F266-K270 PolarHBondContact O-N 2.9Å; L267-K270 CarbonylContact O-C 3.53Å; L267-K270 PolarHBondContact O-N 2.91Å; L267-K270 VanDerWaalsContact O-N 3.1Å; I268-K270 PolarHBondContact O-N 2.83Å |
| 271 | L | 63.2 | Low | 64.6 | Low | 142 Ų | 142 | 115.4 Ų | 115.4 | 74% | 0.743 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -93.4 | -31.9 | -179.6 | -169.1 | 67.3 | 0 | 0 | 0 | 112.3 | L267 I268 | L267-L271 VanDerWaalsContact O-CB 3.24Å; L267-L271 WeakPolarHBondContact O-CB 3.49Å; L267-L271 PolarHBondContact O-N 3.22Å; I268-L271 PolarHBondContact O-N 2.72Å |
| 272 | W | 58 | Low | 63.3 | Low | 185 Ų | 185 | 115.4 Ų | 115.4 | 70% | 0.701 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -123.4 | 92.8 | 174.1 | -78.6 | 69.6 | 0 | 0 | 0 | 109.2 | I268 | I268-W272 PolarHBondContact O-N 3.45Š|
| 273 | P | 55.1 | Low | 62 | Low | 102 Ų | 102 | 118.2 Ų | 118.2 | 66% | 0.662 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 155.1 | 161.9 | 28.5 | -34.5 | 0 | 0 | 0 | 109.6 | I275 | P273-I275 PolarHBondContact O-N 3.04Š|
| 274 | A | 59.1 | Low | 60.9 | Low | 96 Ų | 96 | 117.9 Ų | 117.9 | 79% | 0.793 | 60% | 0.6 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 133.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | P276 | A274-P276 WeakPolarHBondContact O-CD 3.46Å; A274-P276 VanDerWaalsContact O-N 3.15Å |
| 275 | I | 50 | Low | 60.2 | Low | 136 Ų | 136 | 113.7 Ų | 113.7 | 70% | 0.697 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 120.7 | 178.8 | -60.8 | 169.8 | 0 | 0 | 0 | 107.5 | P273 T277 | P273-I275 PolarHBondContact O-N 3.04Å; I275-T277 PolarHBondContact O-N 3.46Å; I275-T277 VanDerWaalsContact O-N 3.11Å |
| 276 | P | 49.9 | Very low | 59.4 | Low | 118 Ų | 118 | 109.3 Ų | 109.3 | 77% | 0.766 | 57% | 0.566 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 116.2 | -179 | 25.9 | -32.9 | 0 | 0 | 0 | 108.7 | A274 | A274-P276 WeakPolarHBondContact O-CD 3.46Å; A274-P276 VanDerWaalsContact O-N 3.15Å |
| 277 | T | 54.3 | Low | 58.9 | Low | 89 Ų | 89 | 108 Ų | 108 | 55% | 0.546 | 57% | 0.569 | S | S | . | * | P | Polyproline II helix | trans | -65.6 | 136.2 | 178.9 | 52.1 | 0 | 0 | 0 | 0 | 109.6 | I275 D279 | I275-T277 PolarHBondContact O-N 3.46Å; I275-T277 VanDerWaalsContact O-N 3.11Å; T277-D279 WeakPolarHBondContact CB-OD1 3.35Å; T277-D279 WeakPolarHBondContact CB-OD2 3.36Å; T277-D279 PolarHBondContact O-N 2.82Å; T277-D279 VanDerWaalsContact O-N 3.08Å; T277-D279 PolarHBondContact OG1-OD2 2.97Å |
| 278 | P | 54.1 | Low | 58.4 | Low | 65 Ų | 65 | 109 Ų | 109 | 42% | 0.422 | 58% | 0.578 | S | S | . | * | G | 310 helix | trans | -78.6 | 10.4 | -170.3 | 34.1 | -37.6 | 0 | 0 | 0 | 113.6 | S280 K281 F282 F286 | P278-S280 PolarHBondContact O-N 2.82Å; P278-S280 VanDerWaalsContact O-N 3.07Å; P278-K281 PolarHBondContact O-N 3.28Å; P278-F282 HydrophobicContact CB-CD2 4.06Å; P278-F282 HydrophobicContact CB-CE2 4.38Å; P278-F282 PolarHBondContact O-N 3.42Å; P278-F286 HydrophobicContact CG-CE2 4.29Å |
| 279 | D | 52.6 | Low | 58.1 | Low | 67 Ų | 67 | 109.3 Ų | 109.3 | 36% | 0.358 | 57% | 0.574 | S | S | . | * | G | 310 helix | trans | -53 | -31.1 | -175.4 | -37.9 | -28.4 | 0 | 0 | 0 | 113.3 | T277 K281 Q283 | T277-D279 WeakPolarHBondContact CB-OD1 3.35Å; T277-D279 WeakPolarHBondContact CB-OD2 3.36Å; T277-D279 PolarHBondContact O-N 2.82Å; T277-D279 VanDerWaalsContact O-N 3.08Å; T277-D279 PolarHBondContact OG1-OD2 2.97Å; D279-K281 VanDerWaalsContact C-N 3.27Å; D279-K281 PolarHBondContact O-N 3.49Å; D279-Q283 PolarHBondContact O-N 3.43Å; D279-Q283 PolarHBondContact O-NE2 3.46Å |
| 280 | S | 58.7 | Low | 58 | Low | 105 Ų | 105 | 104.5 Ų | 104.5 | 73% | 0.734 | 57% | 0.573 | S | S | * | * | G | 310 helix | trans | -72.6 | -13.9 | 176.6 | 59.2 | 0 | 0 | 0 | 0 | 114.6 | P278 | P278-S280 PolarHBondContact O-N 2.82Å; P278-S280 VanDerWaalsContact O-N 3.07Å |
| 281 | K | 55.2 | Low | 57.9 | Low | 177 Ų | 177 | 98.2 Ų | 98.2 | 77% | 0.77 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.8 | -16.5 | 176.9 | -72.8 | -160.7 | 173.5 | -170.1 | 0 | 114.7 | P278 D279 | P278-K281 PolarHBondContact O-N 3.28Å; D279-K281 VanDerWaalsContact C-N 3.27Å; D279-K281 PolarHBondContact O-N 3.49Å |
| 282 | F | 59.4 | Low | 58 | Low | 81 Ų | 81 | 95.8 Ų | 95.8 | 36% | 0.355 | 54% | 0.542 | S | S | . | . | trans | -129.6 | 49.7 | -179.4 | -57.8 | -83.9 | 0 | 0 | 0 | 111.7 | P278 D284 L285 F286 W296 | P278-F282 HydrophobicContact CB-CD2 4.06Å; P278-F282 HydrophobicContact CB-CE2 4.38Å; P278-F282 PolarHBondContact O-N 3.42Å; F282-D284 VanDerWaalsContact C-N 3.32Å; F282-D284 PolarHBondContact O-N 2.92Å; F282-L285 HydrophobicContact CB-CB 4.13Å; F282-L285 HydrophobicContact CB-CD2 4.27Å; F282-L285 PolarHBondContact O-N 3.45Å; F282-F286 HydrophobicContact CB-CD2 4.35Å; F282-F286 HydrophobicContact CB-CE2 4.18Å; F282-F286 WeakPolarHBondContact O-CD2 3.3Å; F282-F286 PolarHBondContact O-N 3.48Å; F282-W296 AromaticContact CD1-CH2 3.92Å; F282-W296 HydrophobicContact CD1-CH2 3.92Å; F282-W296 HydrophobicContact CD1-CZ2 4.33Å; F282-W296 HydrophobicContact CE1-CH2 4.05Å | ||
| 283 | Q | 58 | Low | 58.2 | Low | 115 Ų | 115 | 92 Ų | 92 | 54% | 0.537 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -48.3 | -51.9 | 179.4 | -69 | -83.7 | -72.1 | 0 | 0 | 111.8 | D279 L285 F286 T287 | D279-Q283 PolarHBondContact O-N 3.43Å; D279-Q283 PolarHBondContact O-NE2 3.46Å; Q283-L285 VanDerWaalsContact C-N 3.35Å; Q283-L285 PolarHBondContact O-N 3.04Å; Q283-F286 PolarHBondContact O-N 3.32Å; Q283-T287 WeakPolarHBondContact O-CB 3.46Å; Q283-T287 WeakPolarHBondContact O-CG2 3.28Å; Q283-T287 PolarHBondContact O-N 2.87Å; Q283-T287 PolarHBondContact O-OG1 2.55Å |
| 284 | D | 57.8 | Low | 58.6 | Low | 104 Ų | 104 | 94 Ų | 94 | 56% | 0.556 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63.8 | -36.5 | -174.3 | -53.9 | -26.6 | 0 | 0 | 0 | 113 | F282 V288 Y289 | F282-D284 VanDerWaalsContact C-N 3.32Å; F282-D284 PolarHBondContact O-N 2.92Å; D284-V288 WeakPolarHBondContact O-CA 3.48Å; D284-V288 VanDerWaalsContact O-CB 3.26Å; D284-V288 WeakPolarHBondContact O-CB 3.46Å; D284-V288 PolarHBondContact O-N 3.29Å; D284-Y289 PolarHBondContact O-N 2.02Å |
| 285 | L | 63.7 | Low | 58.7 | Low | 1 Ų | 1 | 95.6 Ų | 95.6 | 1% | 0.005 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -61.2 | -47.6 | 178.4 | 170.8 | 65.9 | 0 | 0 | 0 | 111.2 | F282 Q283 Y289 G290 G291 F293 W296 | F282-L285 HydrophobicContact CB-CB 4.13Å; F282-L285 HydrophobicContact CB-CD2 4.27Å; F282-L285 PolarHBondContact O-N 3.45Å; Q283-L285 VanDerWaalsContact C-N 3.35Å; Q283-L285 PolarHBondContact O-N 3.04Å; L285-Y289 CarbonylContact O-C 3.56Å; L285-Y289 PolarHBondContact O-N 2.87Å; L285-G290 PolarHBondContact O-N 2.9Å; L285-G291 PolarHBondContact O-N 3.29Å; L285-F293 HydrophobicContact CD1-CB 4.48Å; L285-F293 HydrophobicContact CD1-CD2 4.23Å; L285-F293 HydrophobicContact CD1-CG 4.34Å; L285-F293 HydrophobicContact CD2-CD2 3.48Å; L285-F293 VanDerWaalsContact CD2-CD2 3.48Å; L285-F293 HydrophobicContact CD2-CE2 3.37Å; L285-F293 HydrophobicContact CD2-CG 4.3Å; L285-F293 HydrophobicContact CD2-CZ 4.12Å; L285-F293 HydrophobicContact CG-CD2 4.49Å; L285-W296 HydrophobicContact CB-CD2 4.44Å; L285-W296 HydrophobicContact CB-CG 4.42Å; L285-W296 HydrophobicContact CD1-CB 3.73Å; L285-W296 HydrophobicContact CD1-CD2 4.33Å; L285-W296 HydrophobicContact CD1-CE3 4.48Å; L285-W296 HydrophobicContact CD1-CG 4.02Å |
| 286 | F | 58.2 | Low | 59.3 | Low | 88 Ų | 88 | 93.4 Ų | 93.4 | 39% | 0.386 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -85.8 | -21.7 | -175.9 | -64.1 | -68 | 0 | 0 | 0 | 113.6 | P278 F282 Q283 | P278-F286 HydrophobicContact CG-CE2 4.29Å; F282-F286 HydrophobicContact CB-CD2 4.35Å; F282-F286 HydrophobicContact CB-CE2 4.18Å; F282-F286 WeakPolarHBondContact O-CD2 3.3Å; F282-F286 PolarHBondContact O-N 3.48Å; Q283-F286 PolarHBondContact O-N 3.32Å |
| 287 | T | 62.1 | Low | 59.9 | Low | 98 Ų | 98 | 93.1 Ų | 93.1 | 60% | 0.601 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -98 | -34.7 | -179.9 | 59.5 | 0 | 0 | 0 | 0 | 114.2 | Q283 | Q283-T287 WeakPolarHBondContact O-CB 3.46Å; Q283-T287 WeakPolarHBondContact O-CG2 3.28Å; Q283-T287 PolarHBondContact O-N 2.87Å; Q283-T287 PolarHBondContact O-OG1 2.55Å |
| 288 | V | 59.3 | Low | 59.9 | Low | 102 Ų | 102 | 91.5 Ų | 91.5 | 62% | 0.618 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.9 | -44.7 | -178.1 | -174 | 0 | 0 | 0 | 0 | 111.4 | D284 | D284-V288 WeakPolarHBondContact O-CA 3.48Å; D284-V288 VanDerWaalsContact O-CB 3.26Å; D284-V288 WeakPolarHBondContact O-CB 3.46Å; D284-V288 PolarHBondContact O-N 3.29Å |
| 289 | Y | 59.8 | Low | 59.7 | Low | 93 Ų | 93 | 95.6 Ų | 95.6 | 37% | 0.365 | 51% | 0.509 | S | S | . | . | S | Bend | trans | -99.4 | 9.1 | -177.3 | -62.3 | -81.8 | 0 | 0 | 0 | 113.6 | D284 L285 G291 D292 E295 W296 | D284-Y289 PolarHBondContact O-N 2.02Å; L285-Y289 CarbonylContact O-C 3.56Å; L285-Y289 PolarHBondContact O-N 2.87Å; Y289-G291 PolarHBondContact O-N 2.97Å; Y289-D292 PolarHBondContact O-N 3.32Å; Y289-E295 HydrophobicContact CD1-CB 3.94Å; Y289-E295 HydrophobicContact CD1-CG 3.81Å; Y289-E295 HydrophobicContact CE1-CB 4.43Å; Y289-E295 HydrophobicContact CE1-CG 3.91Å; Y289-W296 HydrophobicContact CD2-CB 4.08Å; Y289-W296 AromaticContact CD2-CD1 3.77Å; Y289-W296 HydrophobicContact CD2-CG 4.32Å; Y289-W296 AromaticContact CE2-CD1 3.83Å; Y289-W296 HydrophobicContact CG-CB 4.23Å |
| 290 | G | 63.2 | Low | 59.2 | Low | 70 Ų | 70 | 98.8 Ų | 98.8 | 72% | 0.722 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.1 | 14.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | L285 | L285-G290 PolarHBondContact O-N 2.9Š|
| 291 | G | 64.1 | Low | 58.6 | Low | 29 Ų | 29 | 100.1 Ų | 100.1 | 30% | 0.299 | 54% | 0.541 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.5 | 0.7 | -173 | 0 | 0 | 0 | 0 | 0 | 115.8 | L285 Y289 F293 | L285-G291 PolarHBondContact O-N 3.29Å; Y289-G291 PolarHBondContact O-N 2.97Å; G291-F293 PolarHBondContact O-N 2.82Å; G291-F293 VanDerWaalsContact O-N 3.07Å |
| 292 | D | 66.3 | Low | 57.8 | Low | 91 Ų | 91 | 95 Ų | 95 | 49% | 0.487 | 54% | 0.538 | S | S | . | . | trans | -76.7 | 97.6 | 174.5 | -162.2 | -30.6 | 0 | 0 | 0 | 111.5 | Y289 K294 E295 W296 | Y289-D292 PolarHBondContact O-N 3.32Å; D292-K294 PolarHBondContact O-N 2.9Å; D292-K294 VanDerWaalsContact O-N 3.15Å; D292-K294 WeakPolarHBondContact OD1-CB 3.34Å; D292-K294 PolarHBondContact OD1-N 2.86Å; D292-E295 PolarHBondContact O-N 2.04Å; D292-W296 PolarHBondContact O-N 3.07Å | ||
| 293 | F | 62.3 | Low | 56.8 | Low | 106 Ų | 106 | 96.9 Ų | 96.9 | 47% | 0.465 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -59.6 | -22.8 | 179.1 | -131.4 | -74 | 0 | 0 | 0 | 113.7 | L285 G291 W296 L297 | L285-F293 HydrophobicContact CD1-CB 4.48Å; L285-F293 HydrophobicContact CD1-CD2 4.23Å; L285-F293 HydrophobicContact CD1-CG 4.34Å; L285-F293 HydrophobicContact CD2-CD2 3.48Å; L285-F293 VanDerWaalsContact CD2-CD2 3.48Å; L285-F293 HydrophobicContact CD2-CE2 3.37Å; L285-F293 HydrophobicContact CD2-CG 4.3Å; L285-F293 HydrophobicContact CD2-CZ 4.12Å; L285-F293 HydrophobicContact CG-CD2 4.49Å; G291-F293 PolarHBondContact O-N 2.82Å; G291-F293 VanDerWaalsContact O-N 3.07Å; F293-W296 HydrophobicContact CD1-CE3 4.06Å; F293-W296 HydrophobicContact CD1-CZ3 4.42Å; F293-W296 AromaticContact CE1-CE3 3.76Å; F293-W296 HydrophobicContact CE1-CE3 3.76Å; F293-W296 AromaticContact CE1-CZ3 3.66Å; F293-W296 HydrophobicContact CE1-CZ3 3.66Å; F293-W296 HydrophobicContact CZ-CE3 4.29Å; F293-W296 HydrophobicContact CZ-CZ3 4Å; F293-L297 HydrophobicContact CD1-CD1 3.92Å; F293-L297 HydrophobicContact CD1-CG 4.23Å; F293-L297 HydrophobicContact CE1-CD1 4.32Å; F293-L297 WeakPolarHBondContact O-CG 3.49Å; F293-L297 PolarHBondContact O-N 3.2Å |
| 294 | K | 62.7 | Low | 55.8 | Low | 144 Ų | 144 | 99.4 Ų | 99.4 | 63% | 0.626 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -79.3 | -35.3 | -175.3 | -168 | 178.3 | 178.2 | -177.3 | 0 | 112.2 | D292 | D292-K294 PolarHBondContact O-N 2.9Å; D292-K294 VanDerWaalsContact O-N 3.15Å; D292-K294 WeakPolarHBondContact OD1-CB 3.34Å; D292-K294 PolarHBondContact OD1-N 2.86Å |
| 295 | E | 61 | Low | 54.9 | Low | 129 Ų | 129 | 105.5 Ų | 105.5 | 60% | 0.603 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -77.2 | -39.7 | 177.4 | -163 | 170.1 | -133.7 | 0 | 0 | 111.2 | Y289 D292 L297 G298 | Y289-E295 HydrophobicContact CD1-CB 3.94Å; Y289-E295 HydrophobicContact CD1-CG 3.81Å; Y289-E295 HydrophobicContact CE1-CB 4.43Å; Y289-E295 HydrophobicContact CE1-CG 3.91Å; D292-E295 PolarHBondContact O-N 2.04Å; E295-L297 VanDerWaalsContact C-N 3.26Å; E295-L297 PolarHBondContact O-N 3.23Å; E295-G298 PolarHBondContact O-N 3.04Å |
| 296 | W | 63 | Low | 53.6 | Low | 90 Ų | 90 | 114 Ų | 114 | 34% | 0.341 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -58.8 | -32.8 | 175.2 | -177.8 | 66 | 0 | 0 | 0 | 113.7 | F282 L285 Y289 D292 F293 G298 | F282-W296 AromaticContact CD1-CH2 3.92Å; F282-W296 HydrophobicContact CD1-CH2 3.92Å; F282-W296 HydrophobicContact CD1-CZ2 4.33Å; F282-W296 HydrophobicContact CE1-CH2 4.05Å; L285-W296 HydrophobicContact CB-CD2 4.44Å; L285-W296 HydrophobicContact CB-CG 4.42Å; L285-W296 HydrophobicContact CD1-CB 3.73Å; L285-W296 HydrophobicContact CD1-CD2 4.33Å; L285-W296 HydrophobicContact CD1-CE3 4.48Å; L285-W296 HydrophobicContact CD1-CG 4.02Å; Y289-W296 HydrophobicContact CD2-CB 4.08Å; Y289-W296 AromaticContact CD2-CD1 3.77Å; Y289-W296 HydrophobicContact CD2-CG 4.32Å; Y289-W296 AromaticContact CE2-CD1 3.83Å; Y289-W296 HydrophobicContact CG-CB 4.23Å; D292-W296 PolarHBondContact O-N 3.07Å; F293-W296 HydrophobicContact CD1-CE3 4.06Å; F293-W296 HydrophobicContact CD1-CZ3 4.42Å; F293-W296 AromaticContact CE1-CE3 3.76Å; F293-W296 HydrophobicContact CE1-CE3 3.76Å; F293-W296 AromaticContact CE1-CZ3 3.66Å; F293-W296 HydrophobicContact CE1-CZ3 3.66Å; F293-W296 HydrophobicContact CZ-CE3 4.29Å; F293-W296 HydrophobicContact CZ-CZ3 4Å; W296-G298 PolarHBondContact O-N 3.05Å |
| 297 | L | 61.8 | Low | 52.4 | Low | 111 Ų | 111 | 115.6 Ų | 115.6 | 58% | 0.581 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | 5.3 | 174.9 | -70.1 | 174.5 | 0 | 0 | 0 | 114.1 | F293 E295 Q299 | F293-L297 HydrophobicContact CD1-CD1 3.92Å; F293-L297 HydrophobicContact CD1-CG 4.23Å; F293-L297 HydrophobicContact CE1-CD1 4.32Å; F293-L297 WeakPolarHBondContact O-CG 3.49Å; F293-L297 PolarHBondContact O-N 3.2Å; E295-L297 VanDerWaalsContact C-N 3.26Å; E295-L297 PolarHBondContact O-N 3.23Å; L297-Q299 VanDerWaalsContact C-N 3.31Å; L297-Q299 PolarHBondContact O-N 3.12Å |
| 298 | G | 55.2 | Low | 50.9 | Low | 56 Ų | 56 | 116.2 Ų | 116.2 | 58% | 0.577 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 73.3 | 12.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | E295 W296 T300 | E295-G298 PolarHBondContact O-N 3.04Å; W296-G298 PolarHBondContact O-N 3.05Å; G298-T300 PolarHBondContact O-N 2.93Å |
| 299 | Q | 49 | Very low | 50.2 | Low | 150 Ų | 150 | 116.1 Ų | 116.1 | 70% | 0.701 | 66% | 0.664 | S | S | * | * | trans | -80.9 | 78.3 | 179.7 | -71.8 | -164.3 | -9 | 0 | 0 | 112.6 | L297 | L297-Q299 VanDerWaalsContact C-N 3.31Å; L297-Q299 PolarHBondContact O-N 3.12Å | ||
| 300 | T | 42.1 | Very low | 49 | Very low | 134 Ų | 134 | 121.3 Ų | 121.3 | 82% | 0.822 | 69% | 0.689 | S | S | * | * | trans | -67.5 | 143.5 | 165.4 | 51.1 | 0 | 0 | 0 | 0 | 111.2 | G298 G302 | G298-T300 PolarHBondContact O-N 2.93Å; T300-G302 PolarHBondContact O-N 2.8Å | ||
| 301 | S | 47.3 | Very low | 47.7 | Very low | 134 Ų | 134 | 126.1 Ų | 126.1 | 94% | 0.937 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -77.6 | 88.1 | -174.1 | 56.2 | 0 | 0 | 0 | 0 | 112.4 | ||
| 302 | G | 37.7 | Very low | 46.3 | Very low | 69 Ų | 69 | 132.6 Ų | 132.6 | 71% | 0.711 | 72% | 0.723 | S | S | * | * | trans | -138.4 | 114 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | T300 | T300-G302 PolarHBondContact O-N 2.8Š| ||
| 303 | S | 38.9 | Very low | 44.9 | Very low | 120 Ų | 120 | 132.6 Ų | 132.6 | 84% | 0.839 | 73% | 0.73 | S | S | * | * | trans | -84 | 131.7 | 177.5 | 48.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 304 | L | 36.4 | Very low | 43.6 | Very low | 168 Ų | 168 | 136.6 Ų | 136.6 | 88% | 0.88 | 75% | 0.75 | S | S | * | * | trans | -168.4 | 155.2 | 140.5 | -104.9 | 160.9 | 0 | 0 | 0 | 110.8 | ||||
| 305 | W | 39.8 | Very low | 42.3 | Very low | 233 Ų | 233 | 138 Ų | 138 | 88% | 0.883 | 76% | 0.759 | S | S | * | * | trans | -85.1 | 139.1 | -165.8 | -63.9 | 61 | 0 | 0 | 0 | 112.7 | ||||
| 306 | L | 36.4 | Very low | 41.3 | Very low | 180 Ų | 180 | 137.6 Ų | 137.6 | 94% | 0.942 | 77% | 0.769 | S | S | * | * | trans | -157.7 | 163.1 | 137.3 | -134.8 | 71.5 | 0 | 0 | 0 | 111.2 | ||||
| 307 | T | 33.2 | Very low | 40.2 | Very low | 120 Ų | 120 | 139.5 Ų | 139.5 | 74% | 0.736 | 79% | 0.793 | S | S | * | * | trans | -122.3 | 126.4 | -152.7 | -28.8 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 308 | S | 30.9 | Very low | 39 | Very low | 112 Ų | 112 | 138.6 Ų | 138.6 | 78% | 0.783 | 80% | 0.796 | S | S | * | * | trans | 63 | 171.3 | 156.4 | -112.2 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 309 | P | 44.4 | Very low | 38.4 | Very low | 99 Ų | 99 | 141.9 Ų | 141.9 | 64% | 0.643 | 81% | 0.807 | S | S | * | * | cis | -118.8 | -164.5 | -12.1 | 40.6 | -26.7 | 0 | 0 | 0 | 112.9 | ||||
| 310 | F | 34.5 | Very low | 37.8 | Very low | 202 Ų | 202 | 142.5 Ų | 142.5 | 89% | 0.886 | 81% | 0.814 | S | S | * | * | trans | 87.5 | 66 | -178.4 | -57.2 | -68.1 | 0 | 0 | 0 | 116.9 | ||||
| 311 | I | 34.8 | Very low | 37.8 | Very low | 172 Ų | 172 | 145.1 Ų | 145.1 | 88% | 0.882 | 82% | 0.817 | S | S | * | * | trans | -119.9 | 124.9 | 149.3 | -65.6 | -179.4 | 0 | 0 | 0 | 108 | ||||
| 312 | L | 35.3 | Very low | 37.5 | Very low | 165 Ų | 165 | 145.4 Ų | 145.4 | 86% | 0.864 | 81% | 0.813 | S | S | * | * | trans | -161.9 | 122.7 | 175 | -177.3 | 95.9 | 0 | 0 | 0 | 106.1 | ||||
| 313 | S | 36.4 | Very low | 37.4 | Very low | 90 Ų | 90 | 150.2 Ų | 150.2 | 63% | 0.629 | 82% | 0.822 | S | S | * | * | cis | -152.7 | 145.3 | -14.4 | -82.6 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 314 | E | 35.7 | Very low | 37.5 | Very low | 190 Ų | 190 | 149.6 Ų | 149.6 | 89% | 0.888 | 82% | 0.817 | S | S | * | * | trans | -151.8 | 142 | 152.4 | -155 | 126.2 | -143.7 | 0 | 0 | 110.4 | ||||
| 315 | E | 33.8 | Very low | 37.4 | Very low | 175 Ų | 175 | 149.6 Ų | 149.6 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -70 | 135.6 | -162.6 | -133.6 | 78.7 | 165.5 | 0 | 0 | 113.6 | ||
| 316 | C | 41.1 | Very low | 37.1 | Very low | 119 Ų | 119 | 145 Ų | 145 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -92.4 | 120.5 | 167 | -69.9 | 0 | 0 | 0 | 0 | 110.7 | ||
| 317 | P | 40.3 | Very low | 36.8 | Very low | 130 Ų | 130 | 142.7 Ų | 142.7 | 84% | 0.844 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -69 | 132.2 | 167.9 | 28.9 | -32.6 | 0 | 0 | 0 | 110.2 | ||
| 318 | S | 35.2 | Very low | 36.7 | Very low | 93 Ų | 93 | 145.4 Ų | 145.4 | 65% | 0.65 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 152.5 | -173.8 | 49.9 | 0 | 0 | 0 | 0 | 113.7 | ||
| 319 | P | 44.3 | Very low | 36.8 | Very low | 124 Ų | 124 | 145.2 Ų | 145.2 | 81% | 0.805 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 135.3 | 162.4 | 31.3 | -32.9 | 0 | 0 | 0 | 109.5 | ||
| 320 | L | 36.2 | Very low | 36.9 | Very low | 163 Ų | 163 | 145.7 Ų | 145.7 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | trans | -111.3 | 112.1 | 173.2 | -90.5 | 165.3 | 0 | 0 | 0 | 109.8 | ||||
| 321 | E | 42.3 | Very low | 36.8 | Very low | 190 Ų | 190 | 142 Ų | 142 | 89% | 0.888 | 80% | 0.799 | S | S | * | * | trans | -77.9 | 152.8 | 172.8 | -63.4 | -172.3 | 137.4 | 0 | 0 | 111.3 | ||||
| 322 | V | 40.9 | Very low | 36.7 | Very low | 140 Ų | 140 | 141.1 Ų | 141.1 | 85% | 0.848 | 80% | 0.796 | S | S | * | * | trans | -98.2 | 113.4 | -179.3 | 177.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 323 | L | 34.5 | Very low | 36.4 | Very low | 170 Ų | 170 | 138.3 Ų | 138.3 | 89% | 0.89 | 79% | 0.79 | S | S | * | * | trans | -136.3 | 142.8 | 156 | -76.7 | 180 | 0 | 0 | 0 | 110.7 | ||||
| 324 | S | 41.3 | Very low | 36 | Very low | 106 Ų | 106 | 139.5 Ų | 139.5 | 74% | 0.741 | 80% | 0.798 | S | S | * | * | trans | -78.8 | 164.1 | 173.1 | 52.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 325 | E | 35.2 | Very low | 36.2 | Very low | 169 Ų | 169 | 136.4 Ų | 136.4 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | trans | -169.4 | 167.1 | 131.1 | -94.8 | -84.3 | 174.1 | 0 | 0 | 111 | ||||
| 326 | L | 32.5 | Very low | 36.4 | Very low | 135 Ų | 135 | 133.6 Ų | 133.6 | 71% | 0.707 | 79% | 0.791 | S | S | * | * | trans | -58.7 | 144.7 | -156.2 | -95.9 | 52.1 | 0 | 0 | 0 | 122.9 | ||||
| 327 | N | 30.6 | Very low | 36.5 | Very low | 132 Ų | 132 | 136.3 Ų | 136.3 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | trans | 52.4 | 123.2 | 130.7 | -65.2 | -18 | 0 | 0 | 0 | 124.1 | ||||
| 328 | L | 30.5 | Very low | 36.6 | Very low | 178 Ų | 178 | 135.1 Ų | 135.1 | 93% | 0.932 | 79% | 0.789 | S | S | * | * | -158.9 | 154.3 | 119 | -104.3 | 161.1 | 0 | 0 | 0 | 110.2 | |||||
| 329 | C | 33.4 | Very low | 37 | Very low | 107 Ų | 107 | 136.7 Ų | 136.7 | 72% | 0.723 | 80% | 0.797 | S | S | * | * | trans | -133.3 | -177.1 | -170.1 | -43.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 330 | P | 45.4 | Very low | 36.4 | Very low | 109 Ų | 109 | 140.7 Ų | 140.7 | 71% | 0.708 | 80% | 0.802 | S | S | * | * | cis | -126.7 | -165.8 | -15.2 | 38.6 | -20 | 0 | 0 | 0 | 112.5 | ||||
| 331 | P | 34.2 | Very low | 36.1 | Very low | 125 Ų | 125 | 137.3 Ų | 137.3 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | -138.9 | 173.9 | 103.2 | 39.7 | -29 | 0 | 0 | 0 | 116 | |||||
| 332 | L | 31.4 | Very low | 35.6 | Very low | 154 Ų | 154 | 133.5 Ų | 133.5 | 81% | 0.806 | 79% | 0.792 | S | S | * | * | trans | -66.3 | 164.3 | 174.3 | -90.9 | 73.3 | 0 | 0 | 0 | 113 | ||||
| 333 | S | 30 | Very low | 35.1 | Very low | 106 Ų | 106 | 136.8 Ų | 136.8 | 74% | 0.741 | 79% | 0.794 | S | S | * | * | cis | -173 | 151.9 | -11.4 | 48.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 334 | S | 27.4 | Very low | 34.6 | Very low | 114 Ų | 114 | 132.7 Ų | 132.7 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | trans | -145 | 153.4 | 153.5 | 60 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 335 | P | 39.9 | Very low | 34 | Very low | 126 Ų | 126 | 135.9 Ų | 135.9 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | -87.4 | 156 | -162.7 | 33.4 | -36.1 | 0 | 0 | 0 | 114.9 | ||||
| 336 | P | 38.2 | Very low | 33.5 | Very low | 116 Ų | 116 | 132.2 Ų | 132.2 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | trans | -100.4 | 158.5 | -167.9 | 38.5 | -36.8 | 0 | 0 | 0 | 116.2 | ||||
| 337 | L | 41.9 | Very low | 33.2 | Very low | 175 Ų | 175 | 133.5 Ų | 133.5 | 92% | 0.916 | 80% | 0.798 | S | S | * | * | trans | -115.9 | 126.3 | 154.5 | -95.8 | 166.7 | 0 | 0 | 0 | 109 | ||||
| 338 | P | 42.8 | Very low | 33 | Very low | 106 Ų | 106 | 133.4 Ų | 133.4 | 69% | 0.688 | 80% | 0.802 | S | S | * | * | trans | -150.7 | -177.1 | 143.8 | 36.1 | -17.8 | 0 | 0 | 0 | 113.2 | ||||
| 339 | P | 44.1 | Very low | 32.8 | Very low | 125 Ų | 125 | 134.5 Ų | 134.5 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | cis | -130.6 | -171.6 | -41.7 | 35.1 | -17.9 | 0 | 0 | 0 | 112.8 | ||||
| 340 | K | 32.6 | Very low | 32.7 | Very low | 208 Ų | 208 | 134.2 Ų | 134.2 | 90% | 0.904 | 79% | 0.786 | S | S | * | * | trans | -108.6 | 145 | 166.5 | -66.6 | 175.8 | 177.5 | 175.1 | 0 | 111.4 | ||||
| 341 | A | 29.9 | Very low | 32.1 | Very low | 93 Ų | 93 | 136.8 Ų | 136.8 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | trans | 158.9 | 123.9 | 142.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 342 | S | 31.5 | Very low | 32 | Very low | 109 Ų | 109 | 135.9 Ų | 135.9 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | cis | 98.1 | 94 | 29.9 | 76.7 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 343 | K | 29 | Very low | 32 | Very low | 209 Ų | 209 | 138.7 Ų | 138.7 | 91% | 0.909 | 78% | 0.776 | S | S | * | * | trans | -174 | 132.2 | 142.8 | -109.5 | 168.5 | -177.1 | 178.4 | 0 | 115.9 | ||||
| 344 | A | 25.2 | Very low | 32 | Very low | 85 Ų | 85 | 139 Ų | 139 | 70% | 0.702 | 77% | 0.773 | S | S | * | * | trans | 55.5 | 115.5 | 136.4 | 0 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 345 | L | 28.1 | Very low | 32.2 | Very low | 173 Ų | 173 | 141 Ų | 141 | 91% | 0.906 | 77% | 0.774 | S | S | * | * | 68.8 | 151.6 | 124.4 | -75.8 | 165.5 | 0 | 0 | 0 | 124.1 | |||||
| 346 | A | 25.7 | Very low | 31.8 | Very low | 92 Ų | 92 | 141.1 Ų | 141.1 | 76% | 0.76 | 77% | 0.768 | S | S | * | * | trans | 69.5 | 126.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 347 | L | 26.1 | Very low | 31.4 | Very low | 161 Ų | 161 | 144.7 Ų | 144.7 | 84% | 0.843 | 77% | 0.772 | S | S | * | * | cis | 95.8 | 136.4 | 43.2 | -168.4 | 87.8 | 0 | 0 | 0 | 111.4 | ||||
| 348 | V | 26 | Very low | 30.8 | Very low | 130 Ų | 130 | 139.8 Ų | 139.8 | 79% | 0.788 | 76% | 0.764 | S | S | * | * | trans | 77.6 | 142.5 | 175.6 | -175.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 349 | R | 26.2 | Very low | 30.1 | Very low | 202 Ų | 202 | 142.3 Ų | 142.3 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | cis | -179.2 | 141.1 | -23.6 | 172.9 | 179.6 | 171.1 | 179.7 | -0.1 | 110.6 | ||||
| 350 | N | 30.9 | Very low | 29.6 | Very low | 101 Ų | 101 | 143.1 Ų | 143.1 | 54% | 0.54 | 77% | 0.767 | S | S | . | * | trans | 63.1 | 159.9 | 159.8 | -71.2 | 24.7 | 0 | 0 | 0 | 118.2 | ||||
| 351 | E | 33.9 | Very low | 29.5 | Very low | 163 Ų | 163 | 139.1 Ų | 139.1 | 76% | 0.762 | 76% | 0.756 | S | S | * | * | cis | -163.4 | 173.5 | -13.8 | -116.7 | 164.2 | 167 | 0 | 0 | 114.4 | ||||
| 352 | D | 31.9 | Very low | 29.5 | Very low | 106 Ų | 106 | 144.1 Ų | 144.1 | 57% | 0.567 | 76% | 0.755 | S | S | * | * | trans | 76.6 | 142.1 | 159.1 | -122.6 | 8.3 | 0 | 0 | 0 | 117.2 | ||||
| 353 | R | 30.9 | Very low | 29.4 | Very low | 213 Ų | 213 | 145.8 Ų | 145.8 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | cis | -127.7 | 158.5 | 1.6 | -81.2 | -176.1 | 175.8 | 140.6 | 23.5 | 110.6 | ||||
| 354 | V | 29.5 | Very low | 29.5 | Very low | 111 Ų | 111 | 140.8 Ų | 140.8 | 67% | 0.673 | 74% | 0.742 | S | S | * | * | cis | 87.8 | 90.4 | 30.8 | -176.2 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 355 | L | 30.7 | Very low | 29.9 | Very low | 156 Ų | 156 | 142.4 Ų | 142.4 | 82% | 0.817 | 74% | 0.743 | S | S | * | * | trans | -161.5 | 108.9 | 131.5 | -153.4 | 70.1 | 0 | 0 | 0 | 108.2 | ||||
| 356 | N | 32.4 | Very low | 30 | Very low | 130 Ų | 130 | 140.4 Ų | 140.4 | 70% | 0.695 | 73% | 0.733 | S | S | * | * | 58.6 | 134.2 | 87.7 | -100.1 | -32.1 | 0 | 0 | 0 | 114.7 | |||||
| 357 | K | 29.6 | Very low | 30.2 | Very low | 190 Ų | 190 | 144.1 Ų | 144.1 | 83% | 0.826 | 73% | 0.732 | S | S | * | * | cis | -169 | 134.3 | 14.9 | -172.2 | 178.4 | -176.1 | -177.9 | 0 | 114.9 | ||||
| 358 | G | 28.9 | Very low | 30.5 | Very low | 73 Ų | 73 | 141.9 Ų | 141.9 | 75% | 0.753 | 73% | 0.725 | S | S | * | * | trans | 81 | 168.3 | 147.4 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 359 | L | 29.5 | Very low | 30.5 | Very low | 158 Ų | 158 | 143.1 Ų | 143.1 | 83% | 0.827 | 73% | 0.727 | S | S | * | * | cis | 178.9 | 130.5 | -7.5 | -172.3 | 72.3 | 0 | 0 | 0 | 109.1 | ||||
| 360 | L | 32.3 | Very low | 30.6 | Very low | 143 Ų | 143 | 137.5 Ų | 137.5 | 75% | 0.749 | 72% | 0.724 | S | S | * | * | cis | -111.1 | -119.2 | -15.9 | -60.5 | 101.1 | 0 | 0 | 0 | 109.4 | ||||
| 361 | D | 30.5 | Very low | 30.4 | Very low | 123 Ų | 123 | 141 Ų | 141 | 66% | 0.658 | 74% | 0.742 | S | S | * | * | cis | -166.2 | 158.5 | -10.6 | -132 | 25.2 | 0 | 0 | 0 | 107.2 | ||||
| 362 | R | 30.9 | Very low | 30.2 | Very low | 198 Ų | 198 | 141 Ų | 141 | 75% | 0.747 | 74% | 0.741 | S | S | * | * | cis | -151.9 | -86.6 | -12.5 | -142.5 | 174.8 | 101.5 | 164.4 | 9.1 | 115.7 | ||||
| 363 | E | 30 | Very low | 30 | Very low | 145 Ų | 145 | 142.8 Ų | 142.8 | 68% | 0.678 | 76% | 0.757 | S | S | * | * | trans | -144.3 | 166.7 | -164 | -70.5 | 164.3 | 131.9 | 0 | 0 | 111.1 | ||||
| 364 | S | 30.3 | Very low | 29.9 | Very low | 103 Ų | 103 | 140.2 Ų | 140.2 | 72% | 0.72 | 76% | 0.759 | S | S | * | * | cis | -143.2 | 143.9 | 19.1 | 52.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 365 | V | 32.9 | Very low | 29.7 | Very low | 120 Ų | 120 | 138.6 Ų | 138.6 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | 62.8 | 127.3 | 68.3 | 178.8 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 366 | D | 29.9 | Very low | 29.5 | Very low | 131 Ų | 131 | 143.7 Ų | 143.7 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | cis | -144.5 | -178.2 | 33.1 | -103.3 | -42.2 | 0 | 0 | 0 | 110.5 | ||||
| 367 | K | 31.7 | Very low | 29.3 | Very low | 169 Ų | 169 | 149 Ų | 149 | 74% | 0.735 | 78% | 0.783 | S | S | * | * | cis | -166 | 142.5 | -36.9 | -118.2 | -171.9 | -176.6 | 172.1 | 0 | 107.5 | ||||
| 368 | V | 30.9 | Very low | 29.3 | Very low | 114 Ų | 114 | 146 Ų | 146 | 69% | 0.691 | 78% | 0.782 | S | S | * | * | 57.1 | 130.4 | 94.1 | 177.7 | 0 | 0 | 0 | 0 | 113 | |||||
| 369 | D | 27.5 | Very low | 29.7 | Very low | 156 Ų | 156 | 147.9 Ų | 147.9 | 83% | 0.834 | 78% | 0.78 | S | S | * | * | cis | -145.5 | 179.9 | 41.3 | -138.2 | -33.6 | 0 | 0 | 0 | 115.8 | ||||
| 370 | A | 27.7 | Very low | 29.7 | Very low | 85 Ų | 85 | 148.7 Ų | 148.7 | 70% | 0.702 | 78% | 0.784 | S | S | * | * | trans | -129.8 | 159.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 371 | L | 26.6 | Very low | 29.9 | Very low | 175 Ų | 175 | 149 Ų | 149 | 92% | 0.916 | 78% | 0.782 | S | S | * | * | trans | -145.7 | 137.9 | 159.5 | -158.8 | 72.5 | 0 | 0 | 0 | 111.3 | ||||
| 372 | Q | 29.3 | Very low | 30.4 | Very low | 161 Ų | 161 | 147.6 Ų | 147.6 | 75% | 0.752 | 77% | 0.774 | S | S | * | * | trans | -99.9 | 147.3 | 176.8 | -60.7 | 176.5 | 3.8 | 0 | 0 | 111.3 | ||||
| 373 | T | 27.8 | Very low | 30.6 | Very low | 144 Ų | 144 | 145.7 Ų | 145.7 | 88% | 0.883 | 77% | 0.774 | S | S | * | * | trans | -152.1 | 137.2 | 142.9 | 19.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 374 | N | 29.7 | Very low | 31.7 | Very low | 159 Ų | 159 | 147.2 Ų | 147.2 | 85% | 0.85 | 77% | 0.773 | S | S | * | * | trans | -94.6 | 145.4 | -178.2 | -64.9 | -41.8 | 0 | 0 | 0 | 111.6 | ||||
| 375 | G | 25.6 | Very low | 32.2 | Very low | 77 Ų | 77 | 146.7 Ų | 146.7 | 79% | 0.794 | 76% | 0.762 | S | S | * | * | trans | -158.6 | 121.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 376 | W | 26.5 | Very low | 32.8 | Very low | 263 Ų | 263 | 146.1 Ų | 146.1 | 100% | 0.996 | 75% | 0.754 | S | S | * | * | trans | -82.1 | 126.4 | 178.8 | -78.7 | -16.8 | 0 | 0 | 0 | 112.6 | ||||
| 377 | R | 26.2 | Very low | 33.4 | Very low | 241 Ų | 241 | 144.3 Ų | 144.3 | 91% | 0.909 | 75% | 0.745 | S | S | * | * | trans | -159.7 | 147.5 | 135.6 | -141.6 | 170.6 | -68.9 | -151.1 | 1.8 | 111.8 | ||||
| 378 | T | 30.1 | Very low | 33.9 | Very low | 129 Ų | 129 | 143.2 Ų | 143.2 | 79% | 0.791 | 74% | 0.736 | S | S | * | * | trans | -102.4 | 176.7 | 170.4 | 52.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 379 | P | 37.3 | Very low | 34.3 | Very low | 112 Ų | 112 | 143.3 Ų | 143.3 | 73% | 0.727 | 73% | 0.732 | S | S | * | * | -114.1 | 166.9 | -78.5 | 34.9 | -21.4 | 0 | 0 | 0 | 112 | |||||
| 380 | L | 30.5 | Very low | 35 | Very low | 174 Ų | 174 | 143.1 Ų | 143.1 | 91% | 0.911 | 72% | 0.719 | S | S | * | * | trans | -113 | 130.6 | 173.9 | -108.6 | 164.6 | 0 | 0 | 0 | 110.4 | ||||
| 381 | H | 36.3 | Very low | 35.3 | Very low | 149 Ų | 149 | 146 Ų | 146 | 69% | 0.69 | 72% | 0.718 | S | S | * | * | trans | -88.4 | 147.4 | 178.3 | -98 | 43.2 | 0 | 0 | 0 | 112.4 | H383 | H381-H383 PolarHBondContact O-N 3.32Š| ||
| 382 | D | 40.2 | Very low | 35.7 | Very low | 95 Ų | 95 | 146.3 Ų | 146.3 | 51% | 0.508 | 71% | 0.713 | S | S | . | * | trans | 44.5 | 61.2 | 136.6 | -53.1 | -23.9 | 0 | 0 | 0 | 119.7 | ||||
| 383 | H | 36.8 | Very low | 36 | Very low | 158 Ų | 158 | 146.6 Ų | 146.6 | 73% | 0.731 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -89.4 | -31.8 | 157.4 | -121.1 | -108.6 | 0 | 0 | 0 | 113 | H381 L385 | H381-H383 PolarHBondContact O-N 3.32Å; H383-L385 PolarHBondContact O-N 2.86Å |
| 384 | W | 51.2 | Low | 36.3 | Very low | 177 Ų | 177 | 146.2 Ų | 146.2 | 67% | 0.67 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -72.9 | -27.5 | -171.1 | 129.3 | -77.7 | 0 | 0 | 0 | 114.9 | ||
| 385 | L | 42 | Very low | 36.4 | Very low | 92 Ų | 92 | 146.3 Ų | 146.3 | 48% | 0.482 | 70% | 0.697 | S | S | . | * | H | α-helix | trans | -72.9 | -28.9 | -179.2 | -83.6 | 164.9 | 0 | 0 | 0 | 113 | H383 L389 | H383-L385 PolarHBondContact O-N 2.86Å; L385-L389 PolarHBondContact O-N 2.86Å |
| 386 | L | 45.7 | Very low | 36.7 | Very low | 107 Ų | 107 | 148.5 Ų | 148.5 | 56% | 0.56 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -75.4 | -35.9 | -176.5 | -73.8 | 166.5 | 0 | 0 | 0 | 112.8 | L389 R390 | L386-L389 PolarHBondContact O-N 3.28Å; L386-R390 PolarHBondContact O-N 3.05Å |
| 387 | D | 41.9 | Very low | 37 | Very low | 94 Ų | 94 | 141.8 Ų | 141.8 | 50% | 0.503 | 69% | 0.685 | S | S | . | * | H | α-helix | trans | -68.9 | -36.5 | 175.5 | -71.3 | -33.8 | 0 | 0 | 0 | 111.5 | L389 R390 E391 | D387-L389 VanDerWaalsContact C-N 3.29Å; D387-L389 PolarHBondContact O-N 3.49Å; D387-R390 WeakPolarHBondContact O-CA 3.33Å; D387-R390 VanDerWaalsContact O-CB 3.28Å; D387-R390 WeakPolarHBondContact O-CB 3.48Å; D387-R390 PolarHBondContact O-N 3.26Å; D387-E391 PolarHBondContact O-N 2.83Å |
| 388 | R | 41.8 | Very low | 37.2 | Very low | 146 Ų | 146 | 136.2 Ų | 136.2 | 55% | 0.551 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -66.6 | -28.6 | 177.4 | -150.6 | 177 | -156.3 | -173 | 6.5 | 113.6 | R390 | R388-R390 VanDerWaalsContact C-N 3.33Å |
| 389 | L | 39.7 | Very low | 37.2 | Very low | 116 Ų | 116 | 140.9 Ų | 140.9 | 61% | 0.607 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -74.7 | -24 | 171.1 | -72.4 | 169.6 | 0 | 0 | 0 | 112.5 | L385 L386 D387 | L385-L389 PolarHBondContact O-N 2.86Å; L386-L389 PolarHBondContact O-N 3.28Å; D387-L389 VanDerWaalsContact C-N 3.29Å; D387-L389 PolarHBondContact O-N 3.49Å |
| 390 | R | 41.3 | Very low | 37 | Very low | 151 Ų | 151 | 140.3 Ų | 140.3 | 57% | 0.57 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -76.3 | -34.2 | -180 | -164.6 | 178.8 | -64.8 | -92.5 | -3.3 | 112.4 | L386 D387 R388 Q393 | L386-R390 PolarHBondContact O-N 3.05Å; D387-R390 WeakPolarHBondContact O-CA 3.33Å; D387-R390 VanDerWaalsContact O-CB 3.28Å; D387-R390 WeakPolarHBondContact O-CB 3.48Å; D387-R390 PolarHBondContact O-N 3.26Å; R388-R390 VanDerWaalsContact C-N 3.33Å; R390-Q393 PolarHBondContact O-N 3.24Å |
| 391 | E | 34.3 | Very low | 37.1 | Very low | 145 Ų | 145 | 140.9 Ų | 140.9 | 68% | 0.678 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -62.9 | -40.2 | 175.5 | -67.4 | -175 | 128.5 | 0 | 0 | 112.2 | D387 Q393 Q394 | D387-E391 PolarHBondContact O-N 2.83Å; E391-Q393 PolarHBondContact O-N 3.02Å; E391-Q393 VanDerWaalsContact O-N 3.13Å; E391-Q394 PolarHBondContact O-N 3.14Å |
| 392 | F | 35 | Very low | 36.9 | Very low | 183 Ų | 183 | 136.9 Ų | 136.9 | 80% | 0.803 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | -16.7 | 177.9 | -89.9 | -76.4 | 0 | 0 | 0 | 114.5 | ||
| 393 | Q | 36.3 | Very low | 36.5 | Very low | 166 Ų | 166 | 136.9 Ų | 136.9 | 78% | 0.776 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | -8.3 | -178.2 | -69 | -172.6 | -33.2 | 0 | 0 | 114.4 | R390 E391 | R390-Q393 PolarHBondContact O-N 3.24Å; E391-Q393 PolarHBondContact O-N 3.02Å; E391-Q393 VanDerWaalsContact O-N 3.13Å |
| 394 | Q | 34.6 | Very low | 36.4 | Very low | 136 Ų | 136 | 136.6 Ų | 136.6 | 64% | 0.636 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -99.8 | -4.3 | -170.9 | -64.3 | -168.7 | -1.3 | 0 | 0 | 115.2 | E391 | E391-Q394 PolarHBondContact O-N 3.14Š|
| 395 | H | 31.2 | Very low | 35.5 | Very low | 162 Ų | 162 | 135.2 Ų | 135.2 | 75% | 0.75 | 68% | 0.683 | S | S | * | * | trans | -128.8 | 82.4 | -179.6 | -69.2 | -20.2 | 0 | 0 | 0 | 112.3 | V397 | H395-V397 PolarHBondContact O-N 2.82Š| ||
| 396 | P | 31.5 | Very low | 34.9 | Very low | 122 Ų | 122 | 137.2 Ų | 137.2 | 79% | 0.792 | 69% | 0.69 | S | S | * | * | trans | -70.4 | 98.6 | 170.3 | 29.4 | -33.1 | 0 | 0 | 0 | 110.3 | ||||
| 397 | V | 33.8 | Very low | 34 | Very low | 123 Ų | 123 | 137.9 Ų | 137.9 | 75% | 0.745 | 70% | 0.702 | S | S | * | * | trans | -62 | 137.5 | 159.6 | 179.1 | 0 | 0 | 0 | 0 | 107.9 | H395 R399 | H395-V397 PolarHBondContact O-N 2.82Å; V397-R399 PolarHBondContact O-N 2.97Å | ||
| 398 | P | 30.8 | Very low | 33.3 | Very low | 123 Ų | 123 | 139.9 Ų | 139.9 | 80% | 0.799 | 71% | 0.709 | S | S | * | * | trans | -62 | 103.3 | 178.5 | -22.7 | 34.1 | 0 | 0 | 0 | 111.5 | S400 | P398-S400 PolarHBondContact O-N 2.94Š| ||
| 399 | R | 30.1 | Very low | 32.7 | Very low | 228 Ų | 228 | 139.4 Ų | 139.4 | 86% | 0.86 | 72% | 0.717 | S | S | * | * | trans | -74.5 | 115.7 | 160.3 | -87.4 | 179.4 | 158.7 | 167.9 | -8.4 | 107.8 | V397 Q401 | V397-R399 PolarHBondContact O-N 2.97Å; R399-Q401 PolarHBondContact O-N 3.31Å; R399-Q401 VanDerWaalsContact O-N 3.11Å | ||
| 400 | S | 32.8 | Very low | 32.3 | Very low | 99 Ų | 99 | 139.3 Ų | 139.3 | 69% | 0.692 | 72% | 0.721 | S | S | * | * | trans | -59.1 | 110.3 | 155.6 | 36.3 | 0 | 0 | 0 | 0 | 107.6 | P398 C402 | P398-S400 PolarHBondContact O-N 2.94Å; S400-C402 PolarHBondContact O-N 2.85Å; S400-C402 VanDerWaalsContact O-N 3.17Å | ||
| 401 | Q | 31 | Very low | 31.9 | Very low | 187 Ų | 187 | 142 Ų | 142 | 87% | 0.874 | 73% | 0.733 | S | S | * | * | trans | -77.1 | 100.6 | 173.7 | -69.9 | -177.6 | -7.6 | 0 | 0 | 107.6 | R399 S403 | R399-Q401 PolarHBondContact O-N 3.31Å; R399-Q401 VanDerWaalsContact O-N 3.11Å; Q401-S403 PolarHBondContact O-N 2.89Å | ||
| 402 | C | 33.9 | Very low | 31.7 | Very low | 64 Ų | 64 | 142.5 Ų | 142.5 | 43% | 0.432 | 74% | 0.739 | S | S | . | * | trans | -60.3 | 108.7 | 168.3 | -53.1 | 0 | 0 | 0 | 0 | 107.8 | C190 S400 L404 | C190-C402 VanDerWaalsContact CA-SG 3.6Å; C190-C402 HydrophobicContact CB-CB 3.96Å; C190-C402 WeakPolarHBondContact CB-SG 3.4Å; C190-C402 WeakPolarHBondContact SG-CB 3.21Å; C190-C402 CovalentContact SG-SG 2.04Å; C190-C402 PolarHBondContact SG-SG 2.77Å; S400-C402 PolarHBondContact O-N 2.85Å; S400-C402 VanDerWaalsContact O-N 3.17Å; C402-L404 PolarHBondContact O-N 2.87Å | ||
| 403 | S | 31 | Very low | 31.4 | Very low | 95 Ų | 95 | 139.9 Ų | 139.9 | 66% | 0.664 | 74% | 0.738 | S | S | * | * | trans | -66.3 | 107.5 | 176.6 | 53.1 | 0 | 0 | 0 | 0 | 108.6 | Q401 L405 | Q401-S403 PolarHBondContact O-N 2.89Å; S403-L405 PolarHBondContact O-N 3.07Å | ||
| 404 | L | 34.8 | Very low | 31.1 | Very low | 152 Ų | 152 | 139.9 Ų | 139.9 | 80% | 0.796 | 74% | 0.742 | S | S | * | * | trans | -73.9 | 73.8 | -178.8 | -151.2 | 172.9 | 0 | 0 | 0 | 109.5 | C402 E406 | C402-L404 PolarHBondContact O-N 2.87Å; L404-E406 VanDerWaalsContact C-N 3.33Å; L404-E406 HydrophobicContact CD2-CB 4.3Å; L404-E406 PolarHBondContact O-N 3.17Å | ||
| 405 | L | 31.2 | Very low | 30.8 | Very low | 149 Ų | 149 | 138.8 Ų | 138.8 | 78% | 0.78 | 75% | 0.75 | S | S | * | * | trans | -74.6 | 87.5 | 175.9 | -88.6 | 164.3 | 0 | 0 | 0 | 109.1 | S403 C407 | S403-L405 PolarHBondContact O-N 3.07Å; L405-C407 PolarHBondContact O-N 2.96Å | ||
| 406 | E | 29.2 | Very low | 30.8 | Very low | 134 Ų | 134 | 135.1 Ų | 135.1 | 63% | 0.626 | 76% | 0.755 | S | S | * | * | trans | -72.3 | 109.5 | 177.7 | -168.8 | 175.2 | -116.1 | 0 | 0 | 110.5 | L404 Q408 | L404-E406 VanDerWaalsContact C-N 3.33Å; L404-E406 HydrophobicContact CD2-CB 4.3Å; L404-E406 PolarHBondContact O-N 3.17Å; E406-Q408 VanDerWaalsContact C-N 3.33Å; E406-Q408 HydrophobicContact CG-CG 4.06Å; E406-Q408 PolarHBondContact O-N 2.86Å; E406-Q408 PolarHBondContact OE2-NE2 3.36Å | ||
| 407 | C | 27 | Very low | 30.7 | Very low | 120 Ų | 120 | 135.8 Ų | 135.8 | 81% | 0.811 | 75% | 0.752 | S | S | * | * | trans | -71.4 | 83.6 | 176 | -69.5 | 0 | 0 | 0 | 0 | 111.6 | L405 D409 | L405-C407 PolarHBondContact O-N 2.96Å; C407-D409 VanDerWaalsContact C-N 3.34Å; C407-D409 PolarHBondContact O-N 2.87Å; C407-D409 VanDerWaalsContact O-N 3.11Å | ||
| 408 | Q | 28.5 | Very low | 30.3 | Very low | 137 Ų | 137 | 138.6 Ų | 138.6 | 64% | 0.64 | 75% | 0.754 | S | S | * | * | trans | -81.6 | 70 | 174.2 | -63.3 | -168.9 | 6.2 | 0 | 0 | 112.4 | E406 T410 | E406-Q408 VanDerWaalsContact C-N 3.33Å; E406-Q408 HydrophobicContact CG-CG 4.06Å; E406-Q408 PolarHBondContact O-N 2.86Å; E406-Q408 PolarHBondContact OE2-NE2 3.36Å; Q408-T410 VanDerWaalsContact C-N 3.33Å; Q408-T410 PolarHBondContact O-N 2.97Å | ||
| 409 | D | 29.4 | Very low | 30 | Very low | 135 Ų | 135 | 138.6 Ų | 138.6 | 72% | 0.722 | 76% | 0.756 | S | S | * | * | trans | -74.3 | 84.3 | 169.6 | -84.3 | -32.4 | 0 | 0 | 0 | 110.9 | C407 Y411 | C407-D409 VanDerWaalsContact C-N 3.34Å; C407-D409 PolarHBondContact O-N 2.87Å; C407-D409 VanDerWaalsContact O-N 3.11Å; D409-Y411 WeakPolarHBondContact O-CE1 3.44Å; D409-Y411 PolarHBondContact O-N 2.8Å | ||
| 410 | T | 30 | Very low | 29.8 | Very low | 114 Ų | 114 | 134.2 Ų | 134.2 | 70% | 0.699 | 76% | 0.755 | S | S | * | * | trans | -78.7 | 114.5 | 179.3 | 51.8 | 0 | 0 | 0 | 0 | 112.4 | Q408 I412 | Q408-T410 VanDerWaalsContact C-N 3.33Å; Q408-T410 PolarHBondContact O-N 2.97Å; T410-I412 PolarHBondContact O-N 3.26Å | ||
| 411 | Y | 33.6 | Very low | 29.5 | Very low | 209 Ų | 209 | 138.5 Ų | 138.5 | 82% | 0.82 | 76% | 0.764 | S | S | * | * | trans | -71.1 | 125.7 | 176.5 | -28.5 | -70.1 | 0 | 0 | 0 | 111.5 | D409 T413 | D409-Y411 WeakPolarHBondContact O-CE1 3.44Å; D409-Y411 PolarHBondContact O-N 2.8Å; Y411-T413 PolarHBondContact O-N 2.9Å; Y411-T413 VanDerWaalsContact O-N 3.1Å | ||
| 412 | I | 30 | Very low | 29.3 | Very low | 155 Ų | 155 | 138.8 Ų | 138.8 | 80% | 0.795 | 77% | 0.765 | S | S | * | * | trans | -78.2 | 97 | 176.5 | -58.1 | 177.2 | 0 | 0 | 0 | 109.9 | T410 L414 | T410-I412 PolarHBondContact O-N 3.26Å; I412-L414 PolarHBondContact O-N 2.86Å | ||
| 413 | T | 28.7 | Very low | 29 | Very low | 127 Ų | 127 | 144.3 Ų | 144.3 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | trans | -79.9 | 110.9 | 167.2 | 52.8 | 0 | 0 | 0 | 0 | 110.4 | Y411 S415 | Y411-T413 PolarHBondContact O-N 2.9Å; Y411-T413 VanDerWaalsContact O-N 3.1Å; T413-S415 PolarHBondContact O-N 2.97Å | ||
| 414 | L | 30.7 | Very low | 28.9 | Very low | 167 Ų | 167 | 147.9 Ų | 147.9 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | trans | -68.9 | 113.8 | 174.4 | -72.1 | 171.2 | 0 | 0 | 0 | 111 | I412 G416 | I412-L414 PolarHBondContact O-N 2.86Å; L414-G416 PolarHBondContact O-N 3.31Å | ||
| 415 | S | 28.2 | Very low | 28.5 | Very low | 113 Ų | 113 | 146 Ų | 146 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | trans | -81.3 | 100.3 | -179.3 | 58.4 | 0 | 0 | 0 | 0 | 112.4 | T413 | T413-S415 PolarHBondContact O-N 2.97Š| ||
| 416 | G | 29.9 | Very low | 28.3 | Very low | 84 Ų | 84 | 147.4 Ų | 147.4 | 87% | 0.866 | 79% | 0.788 | S | S | * | * | trans | -75.7 | 124.7 | 162 | 0 | 0 | 0 | 0 | 0 | 110.3 | L414 | L414-G416 PolarHBondContact O-N 3.31Š| ||
| 417 | N | 29.3 | Very low | 28.3 | Very low | 137 Ų | 137 | 147.4 Ų | 147.4 | 73% | 0.733 | 79% | 0.792 | S | S | * | * | trans | -124.6 | 111.8 | -169.5 | -159.6 | 14.9 | 0 | 0 | 0 | 113.4 | ||||
| 418 | K | 27.2 | Very low | 28.2 | Very low | 181 Ų | 181 | 146.5 Ų | 146.5 | 79% | 0.787 | 78% | 0.783 | S | S | * | * | trans | 44.4 | 113.1 | 153 | -70.7 | -179.3 | 175.5 | -176.2 | 0 | 121.7 | ||||
| 419 | C | 24.3 | Very low | 28.3 | Very low | 124 Ų | 124 | 147 Ų | 147 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | 39.2 | 111.5 | 120.6 | -56.1 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 420 | T | 24.9 | Very low | 28.3 | Very low | 135 Ų | 135 | 147.8 Ų | 147.8 | 83% | 0.828 | 79% | 0.789 | S | S | * | * | -109.5 | 165.6 | 115.4 | 2.1 | 0 | 0 | 0 | 0 | 106.6 | |||||
| 421 | E | 27.4 | Very low | 28.2 | Very low | 190 Ų | 190 | 151 Ų | 151 | 89% | 0.888 | 80% | 0.796 | S | S | * | * | cis | -133.7 | -172.3 | 35.1 | -67.4 | 178.2 | 141 | 0 | 0 | 113.2 | ||||
| 422 | E | 27.2 | Very low | 28 | Very low | 193 Ų | 193 | 145 Ų | 145 | 90% | 0.902 | 79% | 0.79 | S | S | * | * | trans | -94.2 | -178.4 | -167.8 | -61 | -178.7 | 131 | 0 | 0 | 114.4 | ||||
| 423 | E | 26.2 | Very low | 28.1 | Very low | 179 Ų | 179 | 145.9 Ų | 145.9 | 84% | 0.836 | 80% | 0.795 | S | S | * | * | trans | -68.8 | 141.9 | -177.3 | -57.2 | 171.6 | 96.5 | 0 | 0 | 113.8 | ||||
| 424 | H | 28.7 | Very low | 29.4 | Very low | 170 Ų | 170 | 145 Ų | 145 | 79% | 0.787 | 79% | 0.792 | S | S | * | * | -165.8 | 119.4 | 113.7 | -105.5 | 13.9 | 0 | 0 | 0 | 114.6 | |||||
| 425 | T | 28 | Very low | 30.1 | Very low | 113 Ų | 113 | 143 Ų | 143 | 69% | 0.693 | 79% | 0.789 | S | S | * | * | trans | 33.9 | 143.7 | 133.5 | 56.2 | 0 | 0 | 0 | 0 | 124 | ||||
| 426 | E | 26.9 | Very low | 30.1 | Very low | 179 Ų | 179 | 141 Ų | 141 | 84% | 0.836 | 79% | 0.786 | S | S | * | * | trans | 89.8 | 104.9 | 153.7 | -77.8 | -174.3 | -171.9 | 0 | 0 | 120.6 | ||||
| 427 | D | 27.8 | Very low | 30 | Very low | 133 Ų | 133 | 143.5 Ų | 143.5 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | 82.7 | 106.3 | 119.7 | -84.3 | 51.9 | 0 | 0 | 0 | 125.1 | |||||
| 428 | T | 26.3 | Very low | 30 | Very low | 101 Ų | 101 | 144.8 Ų | 144.8 | 62% | 0.62 | 79% | 0.79 | S | S | * | * | 83.6 | 113.5 | 108.4 | -61.5 | 0 | 0 | 0 | 0 | 121 | |||||
| 429 | L | 29.7 | Very low | 30.1 | Very low | 147 Ų | 147 | 146 Ų | 146 | 77% | 0.77 | 80% | 0.795 | S | S | * | * | trans | 64.4 | 165.3 | 161.4 | -61.3 | 167.6 | 0 | 0 | 0 | 115.8 | ||||
| 430 | E | 28.6 | Very low | 30.3 | Very low | 152 Ų | 152 | 145 Ų | 145 | 71% | 0.71 | 80% | 0.796 | S | S | * | * | cis | -148.9 | 133.6 | -3.3 | -133.3 | 155.7 | -153.4 | 0 | 0 | 106.9 | ||||
| 431 | E | 28.6 | Very low | 30.4 | Very low | 181 Ų | 181 | 144.2 Ų | 144.2 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | 65.5 | 153.6 | 106.4 | -152.8 | 173.1 | 171.3 | 0 | 0 | 119 | |||||
| 432 | A | 29.8 | Very low | 30.4 | Very low | 84 Ų | 84 | 146.6 Ų | 146.6 | 69% | 0.694 | 80% | 0.797 | S | S | * | * | trans | 75.6 | 84.7 | 157.8 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 433 | L | 31.6 | Very low | 30.6 | Very low | 173 Ų | 173 | 146.7 Ų | 146.7 | 91% | 0.906 | 80% | 0.795 | S | S | * | * | 36.9 | 153.5 | 121.7 | -69.6 | 169.5 | 0 | 0 | 0 | 124.3 | |||||
| 434 | P | 57 | Low | 31.8 | Very low | 109 Ų | 109 | 143.9 Ų | 143.9 | 71% | 0.708 | 79% | 0.792 | S | S | * | * | trans | -98.6 | -179.9 | -175.3 | 44.7 | -40 | 0 | 0 | 0 | 113.8 | ||||
| 435 | P | 44.3 | Very low | 32.5 | Very low | 126 Ų | 126 | 141.4 Ų | 141.4 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | -147 | 162 | 86.2 | 38.1 | -20.1 | 0 | 0 | 0 | 115.2 | |||||
| 436 | G | 28 | Very low | 32.5 | Very low | 70 Ų | 70 | 145.4 Ų | 145.4 | 72% | 0.722 | 80% | 0.798 | S | S | * | * | 98.3 | 170 | 102.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 437 | V | 28.3 | Very low | 32.5 | Very low | 136 Ų | 136 | 142 Ų | 142 | 82% | 0.824 | 80% | 0.795 | S | S | * | * | cis | -171.5 | 159.6 | -11.2 | 118.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 438 | L | 29.2 | Very low | 32.5 | Very low | 165 Ų | 165 | 143.8 Ų | 143.8 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | trans | 87.9 | 151.3 | 169.6 | -76.9 | 162.8 | 0 | 0 | 0 | 122.9 | ||||
| 439 | F | 29 | Very low | 32.6 | Very low | 205 Ų | 205 | 143 Ų | 143 | 90% | 0.899 | 80% | 0.798 | S | S | * | * | trans | -126.7 | 144.9 | -177 | -75.8 | -102.5 | 0 | 0 | 0 | 112.2 | ||||
| 440 | A | 28.7 | Very low | 32.6 | Very low | 103 Ų | 103 | 144.4 Ų | 144.4 | 85% | 0.851 | 80% | 0.8 | S | S | * | * | trans | 173.7 | 148.5 | 154 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 441 | S | 27.7 | Very low | 32.8 | Very low | 119 Ų | 119 | 142 Ų | 142 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | cis | -169 | 176.5 | -9.1 | -178.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 442 | R | 27.8 | Very low | 33 | Very low | 241 Ų | 241 | 140.2 Ų | 140.2 | 91% | 0.909 | 80% | 0.796 | S | S | * | * | trans | 99.9 | 149.7 | 156.6 | -138.3 | 168.8 | -166.3 | 160.2 | 3.6 | 119.9 | ||||
| 443 | K | 29.8 | Very low | 33.3 | Very low | 195 Ų | 195 | 144.7 Ų | 144.7 | 85% | 0.848 | 81% | 0.807 | S | S | * | * | trans | -128.6 | 178.4 | -170.1 | -75.4 | -179.5 | 173.6 | -179.9 | 0 | 110.8 | ||||
| 444 | P | 51.8 | Low | 33.2 | Very low | 119 Ų | 119 | 139 Ų | 139 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | cis | -113.4 | -107.9 | -17.4 | 28.1 | -4.3 | 0 | 0 | 0 | 110.5 | ||||
| 445 | P | 43 | Very low | 32.1 | Very low | 119 Ų | 119 | 139.4 Ų | 139.4 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | cis | -113.8 | -135.5 | -1.8 | 43.7 | -28.8 | 0 | 0 | 0 | 113.7 | ||||
| 446 | K | 28.7 | Very low | 31.5 | Very low | 196 Ų | 196 | 139.4 Ų | 139.4 | 85% | 0.852 | 79% | 0.793 | S | S | * | * | trans | -156.4 | 152 | 175.3 | -92.7 | -167.4 | 174.4 | -168.1 | 0 | 111.4 | ||||
| 447 | S | 26.4 | Very low | 31.9 | Very low | 109 Ų | 109 | 142.9 Ų | 142.9 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | trans | -173.7 | 140.8 | 147.2 | -157.2 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 448 | E | 29.3 | Very low | 32.2 | Very low | 169 Ų | 169 | 144.1 Ų | 144.1 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | cis | 64.1 | 131.7 | 43.7 | -77.3 | 172.6 | -155.3 | 0 | 0 | 113.2 | ||||
| 449 | S | 27.5 | Very low | 32.3 | Very low | 86 Ų | 86 | 140.9 Ų | 140.9 | 60% | 0.601 | 78% | 0.779 | S | S | * | * | cis | -168.3 | -178.2 | 2.2 | 174.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 450 | H | 29.6 | Very low | 32.5 | Very low | 176 Ų | 176 | 137.2 Ų | 137.2 | 82% | 0.815 | 78% | 0.778 | S | S | * | * | trans | 102.9 | 161.6 | 157.2 | -60.3 | -70.7 | 0 | 0 | 0 | 121.4 | ||||
| 451 | S | 32.3 | Very low | 32.6 | Very low | 100 Ų | 100 | 136.3 Ų | 136.3 | 70% | 0.699 | 78% | 0.779 | S | S | * | * | trans | -140.9 | -176.6 | -147.9 | -51.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 452 | D | 34.2 | Very low | 32.8 | Very low | 145 Ų | 145 | 136.9 Ų | 136.9 | 78% | 0.775 | 78% | 0.783 | S | S | * | * | trans | 112.5 | 137.7 | 138 | -67 | -27.2 | 0 | 0 | 0 | 121.3 | ||||
| 453 | L | 35 | Very low | 32.9 | Very low | 178 Ų | 178 | 129 Ų | 129 | 93% | 0.932 | 78% | 0.777 | S | S | * | * | trans | 67.8 | 155 | 159.7 | -62.8 | 157.1 | 0 | 0 | 0 | 118 | ||||
| 454 | G | 28.8 | Very low | 33.1 | Very low | 53 Ų | 53 | 126.8 Ų | 126.8 | 55% | 0.546 | 78% | 0.775 | S | S | . | * | cis | 166.6 | 164.7 | -6.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 455 | S | 34.6 | Very low | 32.2 | Very low | 118 Ų | 118 | 128 Ų | 128 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | trans | 64.9 | 140.2 | -177.9 | 67.4 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 456 | V | 32.2 | Very low | 31.7 | Very low | 125 Ų | 125 | 127.5 Ų | 127.5 | 76% | 0.758 | 77% | 0.773 | S | S | * | * | cis | 92.9 | 120.7 | 16.9 | -177.9 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 457 | Q | 35.3 | Very low | 31.9 | Very low | 143 Ų | 143 | 122.8 Ų | 122.8 | 67% | 0.668 | 77% | 0.765 | S | S | * | * | 151.2 | 123.7 | 124.9 | -162.8 | 93.9 | 2.8 | 0 | 0 | 114.6 | |||||
| 458 | Q | 34.6 | Very low | 32.1 | Very low | 162 Ų | 162 | 127 Ų | 127 | 76% | 0.757 | 77% | 0.772 | S | S | * | * | trans | 59.8 | 159.9 | 148.7 | -78 | 165.9 | -12 | 0 | 0 | 121.2 | ||||
| 459 | S | 32.1 | Very low | 32.1 | Very low | 98 Ų | 98 | 124.4 Ų | 124.4 | 69% | 0.685 | 77% | 0.773 | S | S | * | * | cis | -165.8 | 155.4 | -12.4 | 47.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 460 | S | 32.5 | Very low | 32.3 | Very low | 127 Ų | 127 | 126 Ų | 126 | 89% | 0.888 | 78% | 0.784 | S | S | * | * | trans | 27.8 | 131.6 | 142 | -48.9 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 461 | G | 31.6 | Very low | 32.3 | Very low | 85 Ų | 85 | 127.3 Ų | 127.3 | 88% | 0.876 | 79% | 0.788 | S | S | * | * | trans | -170 | 110.2 | 159.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 462 | S | 31.6 | Very low | 32.1 | Very low | 130 Ų | 130 | 131.6 Ų | 131.6 | 91% | 0.909 | 80% | 0.797 | S | S | * | * | trans | -102.9 | 140 | 175.2 | 178.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 463 | G | 30.7 | Very low | 32.1 | Very low | 76 Ų | 76 | 135 Ų | 135 | 78% | 0.784 | 80% | 0.8 | S | S | * | * | trans | -152.2 | 143.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 464 | N | 34.3 | Very low | 32.8 | Very low | 149 Ų | 149 | 132 Ų | 132 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | trans | -143.2 | 161.9 | -160.9 | -152.2 | -5.2 | 0 | 0 | 0 | 112.6 | ||||
| 465 | L | 32.4 | Very low | 32.9 | Very low | 143 Ų | 143 | 136 Ų | 136 | 75% | 0.749 | 80% | 0.801 | S | S | * | * | trans | 75.8 | 106.8 | 164.6 | -61.3 | 165.6 | 0 | 0 | 0 | 121.4 | ||||
| 466 | S | 31.6 | Very low | 32.8 | Very low | 109 Ų | 109 | 137.6 Ų | 137.6 | 76% | 0.762 | 80% | 0.8 | S | S | * | * | trans | 76.3 | 163.6 | 133.9 | 95.3 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 467 | S | 32.8 | Very low | 32.8 | Very low | 98 Ų | 98 | 135.6 Ų | 135.6 | 69% | 0.685 | 80% | 0.797 | S | S | * | * | cis | -151.8 | 177 | 9.1 | -85.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 468 | Q | 31 | Very low | 32.7 | Very low | 196 Ų | 196 | 140.7 Ų | 140.7 | 92% | 0.916 | 81% | 0.81 | S | S | * | * | trans | 88.1 | 119.2 | 156.4 | -56.9 | -167 | -12.7 | 0 | 0 | 120.1 | ||||
| 469 | S | 30.5 | Very low | 32.3 | Very low | 116 Ų | 116 | 142.1 Ų | 142.1 | 81% | 0.811 | 82% | 0.819 | S | S | * | * | trans | -120.4 | 139.1 | 160 | 57 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 470 | S | 30.4 | Very low | 32.4 | Very low | 119 Ų | 119 | 141.5 Ų | 141.5 | 83% | 0.832 | 82% | 0.819 | S | S | * | * | trans | -165.8 | 142.1 | 147.5 | 48.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 471 | F | 30.9 | Very low | 32.4 | Very low | 204 Ų | 204 | 144.3 Ų | 144.3 | 90% | 0.895 | 82% | 0.816 | S | S | * | * | trans | -75.3 | 148.7 | 167.5 | -77.9 | -113.3 | 0 | 0 | 0 | 110.2 | ||||
| 472 | E | 26.2 | Very low | 32.4 | Very low | 190 Ų | 190 | 147.5 Ų | 147.5 | 89% | 0.888 | 81% | 0.813 | S | S | * | * | trans | -152.5 | 142.6 | 143.6 | -158.8 | 135 | -132.1 | 0 | 0 | 111.2 | ||||
| 473 | Y | 35.3 | Very low | 32.8 | Very low | 215 Ų | 215 | 146.8 Ų | 146.8 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | trans | -154.5 | 126.8 | -179.7 | -127 | -60.9 | 0 | 0 | 0 | 109.2 | ||||
| 474 | P | 48.5 | Very low | 32.8 | Very low | 115 Ų | 115 | 146.5 Ų | 146.5 | 75% | 0.747 | 80% | 0.802 | S | S | * | * | trans | -121.2 | 122 | 149 | 29.9 | -17.8 | 0 | 0 | 0 | 109.5 | ||||
| 475 | N | 31.8 | Very low | 32.9 | Very low | 139 Ų | 139 | 150.4 Ų | 150.4 | 74% | 0.743 | 81% | 0.807 | S | S | * | * | cis | 86.2 | 140.1 | 43.8 | -160.7 | 15.5 | 0 | 0 | 0 | 113.2 | ||||
| 476 | N | 31.9 | Very low | 32.9 | Very low | 151 Ų | 151 | 150 Ų | 150 | 81% | 0.807 | 81% | 0.811 | S | S | * | * | trans | 100.4 | 145.6 | -165.7 | -61.3 | -24.3 | 0 | 0 | 0 | 114.2 | ||||
| 477 | A | 32.5 | Very low | 33 | Very low | 83 Ų | 83 | 154.9 Ų | 154.9 | 69% | 0.686 | 81% | 0.814 | S | S | * | * | cis | -176.2 | 152.8 | -21.8 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 478 | W | 32.6 | Very low | 33 | Very low | 250 Ų | 250 | 158.9 Ų | 158.9 | 95% | 0.947 | 82% | 0.824 | S | S | * | * | cis | -168.5 | 139.8 | -12.4 | -124.1 | 32.1 | 0 | 0 | 0 | 106.8 | ||||
| 479 | M | 27.9 | Very low | 33.4 | Very low | 191 Ų | 191 | 154 Ų | 154 | 94% | 0.941 | 82% | 0.818 | S | S | * | * | trans | -175.2 | 160.4 | 149.7 | -101.9 | -51.1 | 167.4 | 0 | 0 | 112.3 | ||||
| 480 | A | 33.9 | Very low | 33.7 | Very low | 85 Ų | 85 | 155.3 Ų | 155.3 | 70% | 0.702 | 82% | 0.82 | S | S | * | * | trans | -103.9 | 179.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 481 | K | 32.9 | Very low | 34.2 | Very low | 186 Ų | 186 | 153.9 Ų | 153.9 | 81% | 0.809 | 82% | 0.816 | S | S | * | * | cis | -167.3 | 141 | 15.8 | -153.1 | 172.6 | -170.4 | -179.3 | 0 | 109.3 | ||||
| 482 | D | 30.3 | Very low | 34.4 | Very low | 152 Ų | 152 | 151.8 Ų | 151.8 | 81% | 0.813 | 81% | 0.814 | S | S | * | * | trans | 168.1 | 157.2 | 135.1 | -90.5 | -5.9 | 0 | 0 | 0 | 112.7 | ||||
| 483 | P | 41.3 | Very low | 35 | Very low | 116 Ų | 116 | 147.4 Ų | 147.4 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 125.3 | -165.8 | 34.2 | -33.1 | 0 | 0 | 0 | 114.5 | ||
| 484 | G | 30.8 | Very low | 35.1 | Very low | 70 Ų | 70 | 141 Ų | 141 | 72% | 0.722 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 150.4 | 166.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 485 | Y | 34.4 | Very low | 34.4 | Very low | 231 Ų | 231 | 142 Ų | 142 | 91% | 0.906 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 129.7 | 177.2 | -74.8 | -99.5 | 0 | 0 | 0 | 111.8 | ||
| 486 | T | 32.8 | Very low | 34.4 | Very low | 135 Ų | 135 | 139.9 Ų | 139.9 | 83% | 0.828 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 121.4 | 174.9 | -50.3 | 0 | 0 | 0 | 0 | 110.9 | ||
| 487 | Y | 34.2 | Very low | 34.6 | Very low | 210 Ų | 210 | 139.5 Ų | 139.5 | 82% | 0.824 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 138.4 | 167.2 | 52.1 | -89.6 | 0 | 0 | 0 | 110.5 | ||
| 488 | M | 33.3 | Very low | 34.7 | Very low | 182 Ų | 182 | 142.7 Ų | 142.7 | 90% | 0.897 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -97.5 | 119 | 171.3 | -65.7 | -176.6 | -175.8 | 0 | 0 | 109.2 | ||
| 489 | A | 38.3 | Very low | 34.6 | Very low | 95 Ų | 95 | 140.4 Ų | 140.4 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -84 | 122.1 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109 | ||
| 490 | V | 37.4 | Very low | 34.7 | Very low | 142 Ų | 142 | 136.7 Ų | 136.7 | 86% | 0.861 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 123.4 | 172.1 | 178.4 | 0 | 0 | 0 | 0 | 108.2 | ||
| 491 | A | 41 | Very low | 34.8 | Very low | 89 Ų | 89 | 138.5 Ų | 138.5 | 74% | 0.736 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 122.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||
| 492 | D | 36 | Very low | 34.9 | Very low | 160 Ų | 160 | 139 Ų | 139 | 86% | 0.856 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 149.8 | 173.2 | -167 | 15 | 0 | 0 | 0 | 111.2 | G494 | D492-G494 PolarHBondContact O-N 3.15Š|
| 493 | S | 38.9 | Very low | 35 | Very low | 99 Ų | 99 | 135.8 Ų | 135.8 | 69% | 0.692 | 79% | 0.791 | S | S | * | * | trans | -99.6 | 88.6 | -168.7 | -64.8 | 0 | 0 | 0 | 0 | 111.8 | V495 | S493-V495 PolarHBondContact O-N 2.89Å; S493-V495 VanDerWaalsContact O-N 3.16Å | ||
| 494 | G | 36.5 | Very low | 34.8 | Very low | 80 Ų | 80 | 141.4 Ų | 141.4 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | trans | -60.3 | 113.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | D492 | D492-G494 PolarHBondContact O-N 3.15Š| ||
| 495 | V | 34.2 | Very low | 34.9 | Very low | 135 Ų | 135 | 142.5 Ų | 142.5 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -85.9 | 110.8 | 175.9 | 178.4 | 0 | 0 | 0 | 0 | 110 | S493 | S493-V495 PolarHBondContact O-N 2.89Å; S493-V495 VanDerWaalsContact O-N 3.16Å | ||
| 496 | S | 32.3 | Very low | 35 | Very low | 96 Ų | 96 | 138.9 Ų | 138.9 | 67% | 0.671 | 80% | 0.796 | S | S | * | * | trans | -81.5 | 125.1 | 172.2 | 52.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 497 | M | 36.2 | Very low | 35 | Very low | 143 Ų | 143 | 140.2 Ų | 140.2 | 70% | 0.704 | 80% | 0.798 | S | S | * | * | trans | -94.2 | 106.6 | 171 | -70.7 | -175.7 | 69.2 | 0 | 0 | 111 | Y499 | M497-Y499 HydrophobicContact CB-CE2 4.33Å; M497-Y499 PolarHBondContact O-N 2.84Å | ||
| 498 | D | 33.8 | Very low | 35.1 | Very low | 150 Ų | 150 | 138 Ų | 138 | 80% | 0.802 | 80% | 0.798 | S | S | * | * | trans | -75.6 | 108.4 | 174.4 | -73.7 | -42.1 | 0 | 0 | 0 | 111.8 | S500 | D498-S500 PolarHBondContact O-N 3.11Š| ||
| 499 | Y | 30 | Very low | 35 | Very low | 202 Ų | 202 | 132.8 Ų | 132.8 | 79% | 0.792 | 79% | 0.792 | S | S | * | * | trans | -80.4 | 94.9 | 172.1 | -78.5 | -89.7 | 0 | 0 | 0 | 111.2 | M497 P501 | M497-Y499 HydrophobicContact CB-CE2 4.33Å; M497-Y499 PolarHBondContact O-N 2.84Å; Y499-P501 WeakPolarHBondContact O-CD 3.46Å | ||
| 500 | S | 31.3 | Very low | 34.7 | Very low | 112 Ų | 112 | 138.2 Ų | 138.2 | 78% | 0.783 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 120.4 | 169.9 | -70.1 | 0 | 0 | 0 | 0 | 111.4 | D498 M502 | D498-S500 PolarHBondContact O-N 3.11Å; S500-M502 PolarHBondContact O-N 2.58Å |
| 501 | P | 34.8 | Very low | 34.5 | Very low | 124 Ų | 124 | 137.4 Ų | 137.4 | 81% | 0.805 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 121.8 | 177.2 | 30.2 | -33.1 | 0 | 0 | 0 | 111.7 | Y499 | Y499-P501 WeakPolarHBondContact O-CD 3.46Š|
| 502 | M | 34.7 | Very low | 34.1 | Very low | 197 Ų | 197 | 138.5 Ų | 138.5 | 97% | 0.97 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -65 | 145.2 | 170.5 | -154.7 | 81.2 | 140.7 | 0 | 0 | 110.1 | S500 | S500-M502 PolarHBondContact O-N 2.58Š|
| 503 | S | 33.4 | Very low | 33.9 | Very low | 84 Ų | 84 | 138.1 Ų | 138.1 | 59% | 0.587 | 79% | 0.787 | S | S | * | * | trans | -128.2 | 150.5 | -173.7 | 75.7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 504 | R | 36.6 | Very low | 33.6 | Very low | 234 Ų | 234 | 142.6 Ų | 142.6 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | trans | 72.6 | 154.8 | 177.5 | -56.1 | 179.3 | 172 | 80.4 | -1.9 | 114.6 | ||||
| 505 | A | 33.4 | Very low | 33.3 | Very low | 93 Ų | 93 | 142.9 Ų | 142.9 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | cis | -132.5 | 178.2 | 6.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 506 | D | 35.1 | Very low | 33.2 | Very low | 154 Ų | 154 | 142 Ų | 142 | 82% | 0.824 | 78% | 0.775 | S | S | * | * | trans | -68.9 | 145.9 | -173.7 | -46.9 | -101.3 | 0 | 0 | 0 | 115 | ||||
| 507 | D | 32.8 | Very low | 33.2 | Very low | 164 Ų | 164 | 144.8 Ų | 144.8 | 88% | 0.877 | 78% | 0.782 | S | S | * | * | trans | -151.4 | 158.4 | 130 | -149.1 | -16.8 | 0 | 0 | 0 | 110.7 | ||||
| 508 | I | 36.2 | Very low | 33.1 | Very low | 162 Ų | 162 | 147.3 Ų | 147.3 | 83% | 0.831 | 79% | 0.785 | S | S | * | * | trans | -111.1 | 113.9 | -162.7 | -62.3 | 174 | 0 | 0 | 0 | 111.7 | ||||
| 509 | G | 31.9 | Very low | 33 | Very low | 73 Ų | 73 | 147.9 Ų | 147.9 | 75% | 0.753 | 78% | 0.78 | S | S | * | * | trans | -161.1 | 84.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 510 | K | 33.1 | Very low | 33.1 | Very low | 209 Ų | 209 | 144.6 Ų | 144.6 | 91% | 0.909 | 78% | 0.777 | S | S | * | * | trans | 42.7 | 110.5 | 159.9 | -74.7 | -174.9 | 175 | 179.5 | 0 | 119.8 | ||||
| 511 | V | 32.9 | Very low | 33.4 | Very low | 125 Ų | 125 | 146 Ų | 146 | 76% | 0.758 | 77% | 0.771 | S | S | * | * | trans | -39.9 | 129 | 157.4 | 175.8 | 0 | 0 | 0 | 0 | 114.4 | I513 | V511-I513 HydrophobicContact CG1-CG1 4.32Š| ||
| 512 | V | 32.5 | Very low | 33.5 | Very low | 113 Ų | 113 | 146.9 Ų | 146.9 | 69% | 0.685 | 77% | 0.767 | S | S | * | * | trans | -137.7 | 115.5 | 133 | -176.7 | 0 | 0 | 0 | 0 | 107.5 | Y514 | V512-Y514 HydrophobicContact CG1-CD2 3.8Å; V512-Y514 HydrophobicContact CG1-CE2 3.6Å | ||
| 513 | I | 31.2 | Very low | 33.5 | Very low | 152 Ų | 152 | 142.5 Ų | 142.5 | 78% | 0.779 | 75% | 0.754 | S | S | * | * | trans | -99.2 | 111.3 | 172 | -62.9 | 172.7 | 0 | 0 | 0 | 107.6 | V511 | V511-I513 HydrophobicContact CG1-CG1 4.32Š| ||
| 514 | Y | 32.3 | Very low | 33.5 | Very low | 193 Ų | 193 | 144.3 Ų | 144.3 | 76% | 0.757 | 76% | 0.763 | S | S | * | * | trans | -82.7 | 113.1 | 165.6 | -82.8 | -88.8 | 0 | 0 | 0 | 109.1 | V512 N516 | V512-Y514 HydrophobicContact CG1-CD2 3.8Å; V512-Y514 HydrophobicContact CG1-CE2 3.6Å; Y514-N516 PolarHBondContact O-N 2.78Å | ||
| 515 | A | 31.1 | Very low | 33.3 | Very low | 86 Ų | 86 | 142 Ų | 142 | 71% | 0.711 | 76% | 0.762 | S | S | * | * | trans | -78.3 | 105.3 | 165.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | D517 | A515-D517 PolarHBondContact O-N 3Š| ||
| 516 | N | 30.9 | Very low | 33.5 | Very low | 115 Ų | 115 | 148.8 Ų | 148.8 | 62% | 0.615 | 77% | 0.768 | S | S | * | * | trans | -85 | 95.1 | 172.6 | -76.3 | -5.4 | 0 | 0 | 0 | 109.3 | Y514 Y518 | Y514-N516 PolarHBondContact O-N 2.78Å; N516-Y518 HydrophobicContact CB-CD2 4.31Å; N516-Y518 HydrophobicContact CB-CE2 4.17Å; N516-Y518 PolarHBondContact O-N 2.93Å | ||
| 517 | D | 33 | Very low | 33.5 | Very low | 155 Ų | 155 | 150.6 Ų | 150.6 | 83% | 0.829 | 76% | 0.763 | S | S | * | * | trans | -65.1 | 98.2 | 167.3 | -78.6 | -32.2 | 0 | 0 | 0 | 109.7 | A515 K519 | A515-D517 PolarHBondContact O-N 3Å; D517-K519 VanDerWaalsContact C-N 3.3Å; D517-K519 PolarHBondContact O-N 2.73Å | ||
| 518 | Y | 33.2 | Very low | 33.4 | Very low | 196 Ų | 196 | 147.2 Ų | 147.2 | 77% | 0.769 | 75% | 0.753 | S | S | * | * | trans | -71.5 | 84.5 | 174.5 | -89.9 | -88 | 0 | 0 | 0 | 111.1 | N516 N520 | N516-Y518 HydrophobicContact CB-CD2 4.31Å; N516-Y518 HydrophobicContact CB-CE2 4.17Å; N516-Y518 PolarHBondContact O-N 2.93Å; Y518-N520 PolarHBondContact O-N 3.18Å; Y518-N520 VanDerWaalsContact O-N 3.13Å | ||
| 519 | K | 32.7 | Very low | 33.3 | Very low | 162 Ų | 162 | 149.8 Ų | 149.8 | 70% | 0.704 | 76% | 0.758 | S | S | * | * | trans | -67.2 | 100 | 160.8 | -103.7 | -175.6 | 151.4 | -148.5 | 0 | 109.7 | D517 E521 | D517-K519 VanDerWaalsContact C-N 3.3Å; D517-K519 PolarHBondContact O-N 2.73Å; K519-E521 HydrophobicContact CB-CG 4.47Å; K519-E521 IonicContact NZ-OE1 2.73Å; K519-E521 PolarHBondContact NZ-OE1 2.9Å; K519-E521 PolarHBondContact O-N 2.79Å | ||
| 520 | N | 32 | Very low | 33.3 | Very low | 134 Ų | 134 | 153.1 Ų | 153.1 | 72% | 0.717 | 76% | 0.758 | S | S | * | * | trans | -73.6 | 78.6 | 166.9 | -73.1 | -9.1 | 0 | 0 | 0 | 110 | Y518 I522 | Y518-N520 PolarHBondContact O-N 3.18Å; Y518-N520 VanDerWaalsContact O-N 3.13Å; N520-I522 VanDerWaalsContact C-N 3.28Å; N520-I522 PolarHBondContact O-N 3.12Å | ||
| 521 | E | 36.8 | Very low | 33.2 | Very low | 142 Ų | 142 | 149.7 Ų | 149.7 | 66% | 0.664 | 75% | 0.754 | S | S | * | * | trans | -75.4 | 84.9 | 167.6 | -68.3 | -170.3 | -175 | 0 | 0 | 109 | K519 P523 | K519-E521 HydrophobicContact CB-CG 4.47Å; K519-E521 IonicContact NZ-OE1 2.73Å; K519-E521 PolarHBondContact NZ-OE1 2.9Å; K519-E521 PolarHBondContact O-N 2.79Å; E521-P523 WeakPolarHBondContact O-CD 3.17Å | ||
| 522 | I | 38.2 | Very low | 33.4 | Very low | 142 Ų | 142 | 149.9 Ų | 149.9 | 73% | 0.728 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 119.4 | 176.2 | -60 | 171.9 | 0 | 0 | 0 | 108.6 | N520 | N520-I522 VanDerWaalsContact C-N 3.28Å; N520-I522 PolarHBondContact O-N 3.12Å |
| 523 | P | 35.3 | Very low | 33.7 | Very low | 105 Ų | 105 | 151.8 Ų | 151.8 | 68% | 0.682 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 134.1 | 173.1 | -20 | 32.8 | 0 | 0 | 0 | 109.7 | E521 H525 | E521-P523 WeakPolarHBondContact O-CD 3.17Å; P523-H525 PolarHBondContact O-N 2.88Å |
| 524 | P | 32.2 | Very low | 34.2 | Very low | 122 Ų | 122 | 149.4 Ų | 149.4 | 79% | 0.792 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 125.5 | 179.1 | 25.3 | -33.4 | 0 | 0 | 0 | 110.2 | R526 | P524-R526 PolarHBondContact O-N 3.13Š|
| 525 | H | 32.3 | Very low | 34.3 | Very low | 186 Ų | 186 | 144.8 Ų | 144.8 | 86% | 0.861 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -47.7 | 128.8 | 177.7 | -91.9 | -66.2 | 0 | 0 | 0 | 111 | P523 R527 | P523-H525 PolarHBondContact O-N 2.88Å; H525-R527 PolarHBondContact O-N 3.16Å |
| 526 | R | 38.4 | Very low | 34.7 | Very low | 234 Ų | 234 | 142.8 Ų | 142.8 | 88% | 0.883 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -80.6 | 71.5 | -170.7 | -153.7 | 180 | -167.7 | -150.8 | 3 | 111.6 | P524 | P524-R526 PolarHBondContact O-N 3.13Š|
| 527 | R | 35.6 | Very low | 34.8 | Very low | 193 Ų | 193 | 145.2 Ų | 145.2 | 73% | 0.728 | 70% | 0.704 | S | S | * | * | trans | 83.5 | 144.1 | -172 | -59.6 | -177 | 170.1 | 119.4 | 3.4 | 114.7 | H525 | H525-R527 PolarHBondContact O-N 3.16Š| ||
| 528 | S | 29.8 | Very low | 34.9 | Very low | 93 Ų | 93 | 143.6 Ų | 143.6 | 65% | 0.65 | 70% | 0.696 | S | S | * | * | trans | -72.3 | 153.3 | 161 | 42.5 | 0 | 0 | 0 | 0 | 111 | L530 | S528-L530 PolarHBondContact O-N 3.47Å; S528-L530 VanDerWaalsContact O-N 3.14Å | ||
| 529 | F | 34.9 | Very low | 35 | Very low | 216 Ų | 216 | 141.5 Ų | 141.5 | 95% | 0.947 | 70% | 0.698 | S | S | * | * | trans | -61.2 | 114.1 | 170.3 | -66.2 | -85.7 | 0 | 0 | 0 | 110.1 | ||||
| 530 | L | 31.6 | Very low | 35 | Very low | 143 Ų | 143 | 143.8 Ų | 143.8 | 75% | 0.749 | 73% | 0.725 | S | S | * | * | trans | -124.5 | 133.5 | 169 | -71.6 | 173.4 | 0 | 0 | 0 | 107.1 | S528 R532 | S528-L530 PolarHBondContact O-N 3.47Å; S528-L530 VanDerWaalsContact O-N 3.14Å; L530-R532 VanDerWaalsContact C-N 3.33Å; L530-R532 PolarHBondContact O-N 3Å | ||
| 531 | V | 29.9 | Very low | 35.1 | Very low | 137 Ų | 137 | 144.3 Ų | 144.3 | 83% | 0.83 | 73% | 0.725 | S | S | * | * | trans | -62 | 96.2 | 171.9 | 178.3 | 0 | 0 | 0 | 0 | 108.1 | Q533 | V531-Q533 PolarHBondContact O-N 3.35Š| ||
| 532 | R | 38.3 | Very low | 35.1 | Very low | 129 Ų | 129 | 144.4 Ų | 144.4 | 49% | 0.487 | 73% | 0.728 | S | S | . | * | trans | -92.6 | 97.9 | -172.6 | -177.2 | 175.3 | -105 | -153.4 | -13.9 | 109.7 | L530 Y534 | L530-R532 VanDerWaalsContact C-N 3.33Å; L530-R532 PolarHBondContact O-N 3Å; R532-Y534 HydrophobicContact CB-CE2 4.08Å; R532-Y534 WeakPolarHBondContact CD-OH 3.42Å; R532-Y534 HydrophobicContact CG-CD2 4.14Å; R532-Y534 HydrophobicContact CG-CE1 4.27Å; R532-Y534 HydrophobicContact CG-CE2 3.79Å; R532-Y534 WeakPolarHBondContact O-CD2 3.15Å; R532-Y534 PolarHBondContact O-N 3.32Å | ||
| 533 | Q | 38 | Very low | 34.9 | Very low | 153 Ų | 153 | 144.5 Ų | 144.5 | 72% | 0.715 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -61 | 116.7 | 166.7 | -64.6 | 173.7 | -5.8 | 0 | 0 | 108.9 | V531 | V531-Q533 PolarHBondContact O-N 3.35Š|
| 534 | Y | 42.3 | Very low | 34.9 | Very low | 102 Ų | 102 | 146.8 Ų | 146.8 | 40% | 0.4 | 73% | 0.731 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.7 | 122.2 | 174.4 | -75.5 | -84 | 0 | 0 | 0 | 109.5 | R532 V536 | R532-Y534 HydrophobicContact CB-CE2 4.08Å; R532-Y534 WeakPolarHBondContact CD-OH 3.42Å; R532-Y534 HydrophobicContact CG-CD2 4.14Å; R532-Y534 HydrophobicContact CG-CE1 4.27Å; R532-Y534 HydrophobicContact CG-CE2 3.79Å; R532-Y534 WeakPolarHBondContact O-CD2 3.15Å; R532-Y534 PolarHBondContact O-N 3.32Å; Y534-V536 PolarHBondContact O-N 3.31Å |
| 535 | P | 33.9 | Very low | 35 | Very low | 95 Ų | 95 | 148.4 Ų | 148.4 | 62% | 0.617 | 73% | 0.727 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -70.4 | 125.8 | 160.8 | 30.1 | -30.7 | 0 | 0 | 0 | 108.1 | H537 | P535-H537 PolarHBondContact O-N 3.48Å |
| 536 | V | 40.2 | Very low | 35.2 | Very low | 45 Ų | 45 | 145.9 Ų | 145.9 | 27% | 0.273 | 72% | 0.718 | S | S | . | * | P | Polyproline II helix | trans | -69.6 | 131.8 | 170.7 | -179.4 | 0 | 0 | 0 | 0 | 108.6 | H180 Y534 | H180-V536 PolarHBondContact O-N 3.2Å; Y534-V536 PolarHBondContact O-N 3.31Å |
| 537 | H | 32.1 | Very low | 35 | Very low | 166 Ų | 166 | 139.6 Ų | 139.6 | 77% | 0.769 | 71% | 0.707 | S | S | * | * | trans | -112.4 | 120.3 | 164.4 | -78.5 | 4.9 | 0 | 0 | 0 | 107.3 | P535 | P535-H537 PolarHBondContact O-N 3.48Š| ||
| 538 | D | 35.1 | Very low | 34.9 | Very low | 120 Ų | 120 | 135.5 Ų | 135.5 | 64% | 0.642 | 71% | 0.705 | S | S | * | * | trans | -83.6 | 126.8 | 171.1 | -60.7 | -60.3 | 0 | 0 | 0 | 108.8 | ||||
| 539 | D | 35.2 | Very low | 35.3 | Very low | 152 Ų | 152 | 139 Ų | 139 | 81% | 0.813 | 71% | 0.709 | S | S | * | * | trans | -74.9 | 135.6 | 165.7 | -74.4 | -49.5 | 0 | 0 | 0 | 108.6 | ||||
| 540 | V | 32.7 | Very low | 35.4 | Very low | 210 Ų | 210 | 132 Ų | 132 | 100% | 1.273 | 69% | 0.688 | S | S | * | * | trans | -116.1 | 0 | -179.4 | 177.4 | 0 | 0 | 0 | 0 | 110.7 |
Retrieved 540 of 540 residues in 280.4 ms
(Link to these results)