| 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 | 50.2 | Low | 63.7 | Low | 215 Ų | 215 | 134.2 Ų | 134.2 | 100% | 1.059 | 67% | 0.671 | S | S | * | * | 0 | -39.7 | 0 | -77.4 | -165.1 | -163.5 | 0 | 0 | 113.2 | N3 K4 L5 | M1-N3 PolarHBondContact O-N 3.39Å; M1-K4 PolarHBondContact O-N 2.92Å; M1-K4 VanDerWaalsContact O-N 3.11Å; M1-L5 PolarHBondContact O-N 3.31Å | |||
| 2 | L | 51.7 | Low | 64.1 | Low | 148 Ų | 148 | 129.3 Ų | 129.3 | 78% | 0.775 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -54.4 | -40.9 | -179.4 | -85.5 | 94.5 | 0 | 0 | 0 | 114.9 | K4 L5 S6 | L2-K4 VanDerWaalsContact C-N 3.31Å; L2-K4 PolarHBondContact O-N 3.18Å; L2-L5 PolarHBondContact O-N 3.33Å; L2-S6 PolarHBondContact O-N 3.49Å |
| 3 | N | 57.1 | Low | 64 | Low | 148 Ų | 148 | 124.9 Ų | 124.9 | 79% | 0.791 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -65.9 | -29.7 | 179.1 | -72.6 | 5.2 | 0 | 0 | 0 | 113.8 | M1 L7 | M1-N3 PolarHBondContact O-N 3.39Å; N3-L7 PolarHBondContact O-N 2.97Å |
| 4 | K | 60 | Low | 63.9 | Low | 165 Ų | 165 | 120.1 Ų | 120.1 | 72% | 0.717 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -76 | -35.5 | 175 | -71.9 | -169.6 | 175.6 | -174.4 | 0 | 111.2 | M1 L2 L7 W8 | M1-K4 PolarHBondContact O-N 2.92Å; M1-K4 VanDerWaalsContact O-N 3.11Å; L2-K4 VanDerWaalsContact C-N 3.31Å; L2-K4 PolarHBondContact O-N 3.18Å; K4-L7 PolarHBondContact O-N 3Å; K4-W8 VanDerWaalsContact O-CD1 3.29Å; K4-W8 PolarHBondContact O-N 3.47Å; K4-W8 VanDerWaalsContact O-N 3.09Å |
| 5 | L | 63.7 | Low | 63.6 | Low | 117 Ų | 117 | 114.8 Ų | 114.8 | 61% | 0.613 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -68.1 | -41.6 | 176.2 | -160.9 | 75.1 | 0 | 0 | 0 | 111.5 | M1 L2 L7 W8 I9 | M1-L5 PolarHBondContact O-N 3.31Å; L2-L5 PolarHBondContact O-N 3.33Å; L5-L7 VanDerWaalsContact C-N 3.34Å; L5-L7 PolarHBondContact O-N 2.79Å; L5-W8 PolarHBondContact O-N 2.85Å; L5-I9 HydrophobicContact CG-CD1 4.28Å; L5-I9 VanDerWaalsContact O-CG1 3.3Å; L5-I9 WeakPolarHBondContact O-CG1 3.44Å; L5-I9 PolarHBondContact O-N 3.33Å |
| 6 | S | 64.7 | Low | 63.2 | Low | 67 Ų | 67 | 114.4 Ų | 114.4 | 47% | 0.469 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -62.9 | -39.3 | 175.4 | -171.6 | 0 | 0 | 0 | 0 | 112.2 | L2 I9 L10 | L2-S6 PolarHBondContact O-N 3.49Å; S6-I9 PolarHBondContact O-N 3.44Å; S6-L10 WeakPolarHBondContact O-CB 3.4Å; S6-L10 PolarHBondContact O-N 3.46Å |
| 7 | L | 69.2 | Low | 62.8 | Low | 113 Ų | 113 | 115.7 Ų | 115.7 | 59% | 0.592 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -68.4 | -38.7 | 177.9 | -159.3 | 81 | 0 | 0 | 0 | 111.7 | N3 K4 L5 L10 L11 | N3-L7 PolarHBondContact O-N 2.97Å; K4-L7 PolarHBondContact O-N 3Å; L5-L7 VanDerWaalsContact C-N 3.34Å; L5-L7 PolarHBondContact O-N 2.79Å; L7-L10 PolarHBondContact O-N 2.91Å; L7-L11 HydrophobicContact CD2-CD1 4.44Å; L7-L11 HydrophobicContact CG-CD1 4.22Å; L7-L11 WeakPolarHBondContact O-CB 3.36Å; L7-L11 WeakPolarHBondContact O-CD1 3.46Å; L7-L11 PolarHBondContact O-N 3.17Å |
| 8 | W | 72.4 | Confident | 62.4 | Low | 179 Ų | 179 | 114.8 Ų | 114.8 | 68% | 0.678 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -65.4 | -42.6 | 173.7 | -93.3 | 90.4 | 0 | 0 | 0 | 112.4 | K4 L5 L10 L11 V12 | K4-W8 VanDerWaalsContact O-CD1 3.29Å; K4-W8 PolarHBondContact O-N 3.47Å; K4-W8 VanDerWaalsContact O-N 3.09Å; L5-W8 PolarHBondContact O-N 2.85Å; W8-L10 VanDerWaalsContact C-N 3.33Å; W8-L10 PolarHBondContact O-N 3.1Å; W8-L11 PolarHBondContact O-N 3.45Å; W8-V12 HydrophobicContact CE3-CG2 4.44Å; W8-V12 WeakPolarHBondContact O-CB 3.22Å; W8-V12 WeakPolarHBondContact O-CG2 3.18Å; W8-V12 PolarHBondContact O-N 2.77Å |
| 9 | I | 71.5 | Confident | 62.1 | Low | 100 Ų | 100 | 114.3 Ų | 114.3 | 51% | 0.513 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -62.1 | -43.8 | 174.2 | -67.4 | 165 | 0 | 0 | 0 | 109.8 | L5 S6 V12 T13 | L5-I9 HydrophobicContact CG-CD1 4.28Å; L5-I9 VanDerWaalsContact O-CG1 3.3Å; L5-I9 WeakPolarHBondContact O-CG1 3.44Å; L5-I9 PolarHBondContact O-N 3.33Å; S6-I9 PolarHBondContact O-N 3.44Å; I9-V12 PolarHBondContact O-N 2.92Å; I9-T13 HydrophobicContact CG2-CG2 4.39Å; I9-T13 WeakPolarHBondContact O-CB 3.36Å; I9-T13 WeakPolarHBondContact O-CG2 3.44Å; I9-T13 PolarHBondContact O-N 3Å; I9-T13 PolarHBondContact O-OG1 3.15Å |
| 10 | L | 70.3 | Confident | 61.8 | Low | 113 Ų | 113 | 112.4 Ų | 112.4 | 59% | 0.592 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -63 | -44.2 | 178.1 | -129.5 | 115.5 | 0 | 0 | 0 | 112.1 | S6 L7 W8 T13 A14 | S6-L10 WeakPolarHBondContact O-CB 3.4Å; S6-L10 PolarHBondContact O-N 3.46Å; L7-L10 PolarHBondContact O-N 2.91Å; W8-L10 VanDerWaalsContact C-N 3.33Å; W8-L10 PolarHBondContact O-N 3.1Å; L10-T13 WeakPolarHBondContact CA-OG1 3.32Å; L10-T13 PolarHBondContact O-N 3Å; L10-T13 PolarHBondContact O-OG1 3.05Å; L10-A14 VanDerWaalsContact O-CB 3.26Å; L10-A14 WeakPolarHBondContact O-CB 3.32Å; L10-A14 PolarHBondContact O-N 3.04Å |
| 11 | L | 70.4 | Confident | 61.8 | Low | 111 Ų | 111 | 109.7 Ų | 109.7 | 58% | 0.581 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -63.7 | -40.6 | 176.2 | -90 | 152.4 | 0 | 0 | 0 | 112.5 | L7 W8 G15 | L7-L11 HydrophobicContact CD2-CD1 4.44Å; L7-L11 HydrophobicContact CG-CD1 4.22Å; L7-L11 WeakPolarHBondContact O-CB 3.36Å; L7-L11 WeakPolarHBondContact O-CD1 3.46Å; L7-L11 PolarHBondContact O-N 3.17Å; W8-L11 PolarHBondContact O-N 3.45Å; L11-G15 PolarHBondContact O-N 2.82Å |
| 12 | V | 67.8 | Low | 63 | Low | 76 Ų | 76 | 108.4 Ų | 108.4 | 46% | 0.461 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -68.5 | -39.7 | 175.4 | 171.4 | 0 | 0 | 0 | 0 | 110.9 | W8 I9 N16 | W8-V12 HydrophobicContact CE3-CG2 4.44Å; W8-V12 WeakPolarHBondContact O-CB 3.22Å; W8-V12 WeakPolarHBondContact O-CG2 3.18Å; W8-V12 PolarHBondContact O-N 2.77Å; I9-V12 PolarHBondContact O-N 2.92Å; V12-N16 PolarHBondContact O-N 2.99Å; V12-N16 PolarHBondContact O-ND2 3.16Å |
| 13 | T | 63.7 | Low | 64.6 | Low | 72 Ų | 72 | 106.3 Ų | 106.3 | 44% | 0.442 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -67.5 | -42.6 | 174.9 | 53.9 | 0 | 0 | 0 | 0 | 111.8 | I9 L10 N16 L17 | I9-T13 HydrophobicContact CG2-CG2 4.39Å; I9-T13 WeakPolarHBondContact O-CB 3.36Å; I9-T13 WeakPolarHBondContact O-CG2 3.44Å; I9-T13 PolarHBondContact O-N 3Å; I9-T13 PolarHBondContact O-OG1 3.15Å; L10-T13 WeakPolarHBondContact CA-OG1 3.32Å; L10-T13 PolarHBondContact O-N 3Å; L10-T13 PolarHBondContact O-OG1 3.05Å; T13-N16 PolarHBondContact O-N 3.4Å; T13-L17 VanDerWaalsContact O-CD1 3.26Å; T13-L17 WeakPolarHBondContact O-CD1 3.25Å; T13-L17 PolarHBondContact O-N 3Å; T13-L17 VanDerWaalsContact O-N 3.17Å |
| 14 | A | 61.4 | Low | 65.8 | Low | 57 Ų | 57 | 106 Ų | 106 | 47% | 0.471 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -66.3 | -39 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L10 N16 L17 S18 | L10-A14 VanDerWaalsContact O-CB 3.26Å; L10-A14 WeakPolarHBondContact O-CB 3.32Å; L10-A14 PolarHBondContact O-N 3.04Å; A14-N16 VanDerWaalsContact C-N 3.29Å; A14-N16 PolarHBondContact O-N 3.39Å; A14-L17 PolarHBondContact O-N 3.4Å; A14-S18 PolarHBondContact O-OG 3.49Å |
| 15 | G | 60.5 | Low | 67 | Low | 41 Ų | 41 | 103.2 Ų | 103.2 | 42% | 0.423 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -67.8 | -25.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | L11 S18 | L11-G15 PolarHBondContact O-N 2.82Å; G15-S18 PolarHBondContact O-OG 3.44Å |
| 16 | N | 56.9 | Low | 68.1 | Low | 109 Ų | 109 | 105.3 Ų | 105.3 | 58% | 0.583 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -82.6 | -26.7 | 175.6 | -80 | -58.6 | 0 | 0 | 0 | 113.1 | V12 T13 A14 C19 | V12-N16 PolarHBondContact O-N 2.99Å; V12-N16 PolarHBondContact O-ND2 3.16Å; T13-N16 PolarHBondContact O-N 3.4Å; A14-N16 VanDerWaalsContact C-N 3.29Å; A14-N16 PolarHBondContact O-N 3.39Å; N16-C19 PolarHBondContact O-N 2.85Å |
| 17 | L | 56.5 | Low | 69.3 | Low | 136 Ų | 136 | 105.9 Ų | 105.9 | 71% | 0.712 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -69.6 | -31.5 | 176 | -93.9 | 111.9 | 0 | 0 | 0 | 112.9 | T13 A14 C19 A20 | T13-L17 VanDerWaalsContact O-CD1 3.26Å; T13-L17 WeakPolarHBondContact O-CD1 3.25Å; T13-L17 PolarHBondContact O-N 3Å; T13-L17 VanDerWaalsContact O-N 3.17Å; A14-L17 PolarHBondContact O-N 3.4Å; L17-C19 VanDerWaalsContact C-N 3.27Å; L17-C19 PolarHBondContact O-N 2.72Å; L17-A20 WeakPolarHBondContact O-CB 3.46Å; L17-A20 PolarHBondContact O-N 3.24Å |
| 18 | S | 56.2 | Low | 70.4 | Confident | 99 Ų | 99 | 103.6 Ų | 103.6 | 69% | 0.692 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | -8.8 | 178.3 | 34.4 | 0 | 0 | 0 | 0 | 114.4 | A14 G15 | A14-S18 PolarHBondContact O-OG 3.49Å; G15-S18 PolarHBondContact O-OG 3.44Å |
| 19 | C | 55.9 | Low | 71.5 | Confident | 105 Ų | 105 | 99.1 Ų | 99.1 | 71% | 0.709 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.9 | 21.3 | 171.5 | -80 | 0 | 0 | 0 | 0 | 112.7 | N16 L17 S21 | N16-C19 PolarHBondContact O-N 2.85Å; L17-C19 VanDerWaalsContact C-N 3.27Å; L17-C19 PolarHBondContact O-N 2.72Å; C19-S21 VanDerWaalsContact C-N 3.26Å; C19-S21 PolarHBondContact O-N 3.38Å |
| 20 | A | 55.4 | Low | 72.5 | Confident | 76 Ų | 76 | 97.9 Ų | 97.9 | 63% | 0.628 | 54% | 0.539 | S | S | * | . | trans | -70.1 | 80.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | L17 R22 | L17-A20 WeakPolarHBondContact O-CB 3.46Å; L17-A20 PolarHBondContact O-N 3.24Å; A20-R22 PolarHBondContact O-N 2.94Å | ||
| 21 | S | 62.3 | Low | 73.6 | Confident | 56 Ų | 56 | 93.2 Ų | 93.2 | 39% | 0.392 | 52% | 0.515 | S | S | . | . | trans | -63.3 | 125.5 | 164.8 | 69 | 0 | 0 | 0 | 0 | 107.8 | C19 V23 K26 | C19-S21 VanDerWaalsContact C-N 3.26Å; C19-S21 PolarHBondContact O-N 3.38Å; S21-V23 PolarHBondContact O-N 3.3Å; S21-V23 VanDerWaalsContact O-N 3.11Å; S21-K26 WeakPolarHBondContact OG-CE 3.3Å; S21-K26 PolarHBondContact OG-NZ 3.34Å | ||
| 22 | R | 76 | Confident | 74.3 | Confident | 188 Ų | 188 | 95.8 Ų | 95.8 | 71% | 0.709 | 52% | 0.524 | S | S | * | . | trans | -59.1 | 122.3 | 172.9 | -73.5 | 176.8 | 169.3 | 176.2 | -2.1 | 108.2 | A20 R24 D25 | A20-R22 PolarHBondContact O-N 2.94Å; R22-R24 PolarHBondContact O-N 3.14Å; R22-D25 WeakPolarHBondContact CB-OD2 3.46Å; R22-D25 PolarHBondContact O-N 3.33Å | ||
| 23 | V | 83.9 | Confident | 75 | Confident | 104 Ų | 104 | 95.4 Ų | 95.4 | 63% | 0.63 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -53.4 | -32.3 | 179.4 | 175.6 | 0 | 0 | 0 | 0 | 111.1 | S21 D25 K26 I27 | S21-V23 PolarHBondContact O-N 3.3Å; S21-V23 VanDerWaalsContact O-N 3.11Å; V23-D25 VanDerWaalsContact C-N 3.32Å; V23-D25 PolarHBondContact O-N 3.08Å; V23-K26 PolarHBondContact O-N 3.44Å; V23-I27 HydrophobicContact CG1-CD1 3.79Å; V23-I27 WeakPolarHBondContact O-CG1 3.44Å; V23-I27 PolarHBondContact O-N 3.08Å |
| 24 | R | 83.9 | Confident | 76.3 | Confident | 143 Ų | 143 | 92.9 Ų | 92.9 | 54% | 0.54 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -53.6 | -45.8 | 173.7 | -173.3 | -178 | 176.5 | 173.9 | -3.2 | 112.7 | R22 K26 I27 Y28 | R22-R24 PolarHBondContact O-N 3.14Å; R24-K26 PolarHBondContact O-N 2.82Å; R24-I27 PolarHBondContact O-N 3.31Å; R24-I27 VanDerWaalsContact O-N 3.07Å; R24-Y28 HydrophobicContact CG-CD2 3.87Å; R24-Y28 PolarHBondContact O-N 3.22Å |
| 25 | D | 84.4 | Confident | 77.8 | Confident | 106 Ų | 106 | 91.4 Ų | 91.4 | 57% | 0.567 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -75.6 | -14.1 | -174 | -53.1 | -13.6 | 0 | 0 | 0 | 111.7 | R22 V23 | R22-D25 WeakPolarHBondContact CB-OD2 3.46Å; R22-D25 PolarHBondContact O-N 3.33Å; V23-D25 VanDerWaalsContact C-N 3.32Å; V23-D25 PolarHBondContact O-N 3.08Å |
| 26 | K | 86.4 | Confident | 79.5 | Confident | 161 Ų | 161 | 89.6 Ų | 89.6 | 70% | 0.7 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -84.5 | -17.3 | 170.4 | -72.8 | -179.1 | 162.8 | 166 | 0 | 113.5 | S21 V23 R24 | S21-K26 WeakPolarHBondContact OG-CE 3.3Å; S21-K26 PolarHBondContact OG-NZ 3.34Å; V23-K26 PolarHBondContact O-N 3.44Å; R24-K26 PolarHBondContact O-N 2.82Å |
| 27 | I | 90.1 | Very high | 81.3 | Confident | 78 Ų | 78 | 84.4 Ų | 84.4 | 40% | 0.4 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -106.2 | -47.1 | -174.3 | -63.1 | 170.8 | 0 | 0 | 0 | 110.7 | V23 R24 F655 | V23-I27 HydrophobicContact CG1-CD1 3.79Å; V23-I27 WeakPolarHBondContact O-CG1 3.44Å; V23-I27 PolarHBondContact O-N 3.08Å; R24-I27 PolarHBondContact O-N 3.31Å; R24-I27 VanDerWaalsContact O-N 3.07Å; I27-F655 HydrophobicContact CG2-CB 4.14Å; I27-F655 WeakPolarHBondContact O-CA 3.3Å; I27-F655 WeakPolarHBondContact O-CB 3.43Å |
| 28 | Y | 93.4 | Very high | 83 | Confident | 65 Ų | 65 | 78 Ų | 78 | 26% | 0.255 | 41% | 0.409 | S | S | . | . | trans | -109 | 132.5 | -169.8 | -59.5 | -74.3 | 0 | 0 | 0 | 111.1 | R24 R653 L654 F655 | R24-Y28 HydrophobicContact CG-CD2 3.87Å; R24-Y28 PolarHBondContact O-N 3.22Å; Y28-R653 HydrophobicContact CD1-CG 4.19Å; Y28-L654 WeakPolarHBondContact CA-O 3.02Å; Y28-F655 HydrophobicContact CD1-CB 3.71Å; Y28-F655 AromaticContact CD1-CD1 3.65Å; Y28-F655 HydrophobicContact CD1-CD1 3.65Å; Y28-F655 HydrophobicContact CD1-CE1 4.47Å; Y28-F655 AromaticContact CD1-CG 3.84Å; Y28-F655 HydrophobicContact CD1-CG 3.84Å; Y28-F655 HydrophobicContact CE1-CB 3.95Å; Y28-F655 AromaticContact CE1-CD1 3.6Å; Y28-F655 HydrophobicContact CE1-CD1 3.6Å; Y28-F655 HydrophobicContact CE1-CD2 4.26Å; Y28-F655 HydrophobicContact CE1-CE1 4.11Å; Y28-F655 AromaticContact CE1-CG 3.68Å; Y28-F655 HydrophobicContact CE1-CG 3.68Å | ||
| 29 | I | 94.4 | Very high | 84.9 | Confident | 86 Ų | 86 | 73.4 Ų | 73.4 | 44% | 0.441 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 112 | 165 | -51.7 | 172.6 | 0 | 0 | 0 | 106.4 | L180 R653 L654 | I29-L180 HydrophobicContact CD1-CD1 4.29Å; I29-L180 HydrophobicContact CG2-CD2 3.65Å; I29-R653 CarbonylContact O-C 3.5Å; I29-R653 WeakPolarHBondContact O-CA 3.5Å; I29-R653 WeakPolarHBondContact O-CB 3.24Å; I29-L654 HydrophobicContact CB-CB 4.47Å; I29-L654 PolarHBondContact N-O 2.92Å; I29-L654 PolarHBondContact O-N 3.43Å |
| 30 | N | 93.1 | Very high | 86.8 | Confident | 74 Ų | 74 | 68.4 Ų | 68.4 | 40% | 0.396 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 142.3 | 175 | -54.4 | -49.8 | 0 | 0 | 0 | 108.8 | ||
| 31 | L | 92.9 | Very high | 88.7 | Confident | 14 Ų | 14 | 64.8 Ų | 64.8 | 7% | 0.073 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 125.5 | 171 | -56.8 | -175.2 | 0 | 0 | 0 | 107.2 | E177 L180 I181 M652 L654 | L31-E177 WeakPolarHBondContact CA-OE1 3.35Å; L31-E177 HydrophobicContact CD2-CB 4.22Å; L31-E177 HydrophobicContact CD2-CG 4.14Å; L31-L180 HydrophobicContact CD2-CD2 3.7Å; L31-I181 HydrophobicContact CD1-CD1 3.36Å; L31-I181 HydrophobicContact CD1-CG1 3.66Å; L31-M652 HydrophobicContact CB-CB 4.19Å; L31-M652 HydrophobicContact CB-CE 3.53Å; L31-M652 HydrophobicContact CB-CG 3.97Å; L31-M652 HydrophobicContact CB-SD 4.46Å; L31-M652 HydrophobicContact CD1-CE 3.54Å; L31-M652 HydrophobicContact CD1-CG 3.75Å; L31-M652 HydrophobicContact CD1-SD 3.76Å; L31-M652 HydrophobicContact CG-CE 4.14Å; L31-M652 HydrophobicContact CG-CG 4.13Å; L31-M652 PolarHBondContact N-O 3.33Å; L31-L654 HydrophobicContact CD1-CD1 4.29Å; L31-L654 HydrophobicContact CD1-CD2 4.44Å; L31-L654 HydrophobicContact CD1-CG 4.12Å; L31-L654 HydrophobicContact CD2-CD1 4.37Å; L31-L654 HydrophobicContact CG-CG 4.45Å |
| 32 | E | 85.6 | Confident | 90.2 | Very high | 166 Ų | 166 | 63.5 Ų | 63.5 | 78% | 0.776 | 30% | 0.302 | S | S | * | . | trans | -95.8 | -31.5 | -170.8 | -61.7 | -171.8 | 170.9 | 0 | 0 | 111.5 | G34 E177 | E32-G34 PolarHBondContact O-N 3.14Å; E32-E177 PolarHBondContact N-OE1 2.81Å | ||
| 33 | D | 81.9 | Confident | 91 | Very high | 67 Ų | 67 | 55.6 Ų | 55.6 | 36% | 0.358 | 28% | 0.276 | S | S | . | . | trans | -101.5 | 51.5 | -168.9 | -73.5 | -29.7 | 0 | 0 | 0 | 114.2 | L172 N174 E177 | D33-L172 WeakPolarHBondContact O-CD2 2.96Å; D33-N174 HydrophobicContact CB-CB 3.85Å; D33-N174 PolarHBondContact OD2-ND2 3.29Å; D33-E177 PolarHBondContact N-OE1 3.03Å; D33-E177 PolarHBondContact N-OE2 3.37Å | ||
| 34 | G | 90.6 | Very high | 91.4 | Very high | 20 Ų | 20 | 54.2 Ų | 54.2 | 21% | 0.206 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 130.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | E32 P36 L171 | E32-G34 PolarHBondContact O-N 3.14Å; G34-P36 WeakPolarHBondContact O-CD 3.12Å; G34-L171 WeakPolarHBondContact CA-O 3.39Å |
| 35 | Y | 94.3 | Very high | 91.8 | Very high | 25 Ų | 25 | 53.2 Ų | 53.2 | 10% | 0.098 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 116.5 | 174.6 | -52.1 | -88.7 | 0 | 0 | 0 | 110.1 | Y170 L171 V173 F276 D278 Y279 R545 | Y35-Y170 CarbonylContact O-C 3.06Å; Y35-Y170 WeakPolarHBondContact O-CA 3.4Å; Y35-L171 HydrophobicContact CD2-CB 4.45Å; Y35-L171 HydrophobicContact CD2-CD2 4.5Å; Y35-L171 PolarHBondContact N-O 2.76Å; Y35-L171 PolarHBondContact O-N 3.26Å; Y35-V173 HydrophobicContact CE2-CG2 3.95Å; Y35-F276 WeakPolarHBondContact O-CD1 3.4Å; Y35-D278 HydrophobicContact CD1-CB 3.95Å; Y35-Y279 HydrophobicContact CD1-CD2 4.28Å; Y35-Y279 AromaticContact CD2-CD2 3.74Å; Y35-Y279 HydrophobicContact CD2-CD2 3.74Å; Y35-Y279 HydrophobicContact CD2-CG 4.47Å; Y35-Y279 HydrophobicContact CE1-CD2 4.23Å; Y35-Y279 AromaticContact CE2-CD2 3.72Å; Y35-Y279 HydrophobicContact CE2-CD2 3.72Å; Y35-Y279 HydrophobicContact CE2-CE2 4.25Å; Y35-Y279 HydrophobicContact CG-CD2 4.08Å; Y35-Y279 HydrophobicContact CG-CG 4.48Å; Y35-R545 HydrophobicContact CE1-CB 4.26Å; Y35-R545 WeakPolarHBondContact OH-CD 3.17Å; Y35-R545 PolarHBondContact OH-NH1 3.46Å |
| 36 | P | 94.7 | Very high | 92.3 | Very high | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.019 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 142.4 | -179.2 | 30.8 | -33.1 | 0 | 0 | 0 | 111.7 | G34 Y170 T209 T650 | G34-P36 WeakPolarHBondContact O-CD 3.12Å; P36-Y170 HydrophobicContact CB-CD1 4.22Å; P36-Y170 HydrophobicContact CB-CE1 3.68Å; P36-Y170 HydrophobicContact CG-CE1 4.39Å; P36-T209 HydrophobicContact CB-CG2 3.78Å; P36-T650 HydrophobicContact CB-CG2 4.16Å; P36-T650 HydrophobicContact CG-CG2 3.93Å |
| 37 | C | 95.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -75.6 | 134.7 | 160.9 | 163.7 | 0 | 0 | 0 | 0 | 109.4 | C49 V169 L275 F276 | C37-C49 HydrophobicContact CB-CB 3.57Å; C37-C49 WeakPolarHBondContact CB-SG 3.34Å; C37-C49 WeakPolarHBondContact O-CB 3.47Å; C37-C49 WeakPolarHBondContact SG-CB 3.19Å; C37-C49 PolarHBondContact SG-N 3.1Å; C37-C49 VanDerWaalsContact SG-N 3.42Å; C37-C49 CovalentContact SG-SG 2.03Å; C37-C49 PolarHBondContact SG-SG 3.31Å; C37-V169 HydrophobicContact CB-CB 4.08Å; C37-V169 WeakPolarHBondContact CB-O 3.15Å; C37-V169 PolarHBondContact N-O 2.99Å; C37-L275 WeakPolarHBondContact CA-O 3.43Å; C37-L275 HydrophobicContact CB-CD1 4.33Å; C37-L275 HydrophobicContact CB-CG 4.16Å; C37-L275 WeakPolarHBondContact CB-O 3.43Å; C37-L275 WeakPolarHBondContact SG-CD1 3.5Å; C37-F276 HydrophobicContact CB-CD1 4.07Å; C37-F276 HydrophobicContact CB-CE1 3.95Å |
| 38 | T | 93 | Very high | 93 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.006 | 20% | 0.2 | C | C | . | . | trans | -112.7 | 161.8 | -176.4 | 63 | 0 | 0 | 0 | 0 | 111.5 | G48 C49 R161 N277 F647 | T38-G48 WeakPolarHBondContact O-CA 3.39Å; T38-C49 PolarHBondContact O-N 3.48Å; T38-R161 PolarHBondContact O-NH1 3.26Å; T38-R161 PolarHBondContact O-NH2 3.39Å; T38-N277 PolarHBondContact OG1-ND2 3.41Å; T38-F647 HydrophobicContact CG2-CD1 3.91Å; T38-F647 HydrophobicContact CG2-CE1 3.66Å; T38-F647 HydrophobicContact CG2-CZ 4.13Å | ||
| 39 | R | 95.3 | Very high | 93.1 | Very high | 4 Ų | 4 | 35.9 Ų | 35.9 | 2% | 0.015 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 130.2 | 177.8 | 179.1 | 168 | -78.4 | 155.8 | -5.6 | 111.1 | L41 V47 H50 D164 N166 N211 A213 S645 | R39-L41 HydrophobicContact CG-CD1 4.35Å; R39-L41 HydrophobicContact CG-CG 4.48Å; R39-V47 WeakPolarHBondContact CA-O 3.33Å; R39-H50 VanDerWaalsContact NH1-CG 3.26Å; R39-H50 PolarHBondContact NH1-ND1 3.46Å; R39-H50 VanDerWaalsContact NH1-ND1 3.1Å; R39-D164 IonicContact NH2-OD1 3.56Å; R39-N166 PolarHBondContact NH2-OD1 2.77Å; R39-N211 HydrophobicContact CB-CB 3.83Å; R39-N211 WeakPolarHBondContact CB-OD1 3.11Å; R39-N211 PolarHBondContact N-OD1 2.96Å; R39-A213 WeakPolarHBondContact CD-O 3.31Å; R39-A213 PolarHBondContact NH1-O 3.35Å; R39-S645 WeakPolarHBondContact O-CB 3.46Å; R39-S645 PolarHBondContact O-N 2.89Å |
| 40 | L | 95.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 157.7 | 165.7 | -59.3 | 179.4 | 0 | 0 | 0 | 109.5 | Q46 V47 F327 W642 V643 E644 | L40-Q46 WeakPolarHBondContact O-CA 3.47Å; L40-V47 HydrophobicContact CB-CG2 3.76Å; L40-V47 PolarHBondContact N-O 3.4Å; L40-V47 PolarHBondContact O-N 3.14Å; L40-V47 VanDerWaalsContact O-O 3.1Å; L40-F327 HydrophobicContact CD1-CD1 4.48Å; L40-F327 HydrophobicContact CD1-CE1 3.58Å; L40-F327 HydrophobicContact CD1-CZ 4.17Å; L40-W642 HydrophobicContact CB-CE3 4.08Å; L40-W642 HydrophobicContact CB-CZ3 4.19Å; L40-V643 CarbonylContact C-O 3.6Å; L40-V643 WeakPolarHBondContact CA-O 3.49Å; L40-E644 HydrophobicContact CD2-CB 3.41Å; L40-E644 VanDerWaalsContact CD2-CB 3.41Å; L40-E644 HydrophobicContact CD2-CG 3.73Å |
| 41 | L | 95.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 145.2 | 174 | -45.4 | 88.9 | 0 | 0 | 0 | 108.9 | R39 H45 Q46 A213 A217 C220 C237 W642 V643 | R39-L41 HydrophobicContact CG-CD1 4.35Å; R39-L41 HydrophobicContact CG-CG 4.48Å; L41-H45 WeakPolarHBondContact CA-O 3.4Å; L41-Q46 HydrophobicContact CD2-CB 4.31Å; L41-Q46 HydrophobicContact CG-CB 4.24Å; L41-A213 HydrophobicContact CD1-CB 3.6Å; L41-A213 HydrophobicContact CD2-CB 4.15Å; L41-A217 HydrophobicContact CB-CB 4.41Å; L41-C220 HydrophobicContact CD2-CB 4.26Å; L41-C237 HydrophobicContact CD1-CB 4.42Å; L41-W642 WeakPolarHBondContact O-CA 3.22Å; L41-V643 HydrophobicContact CB-CG2 3.7Å; L41-V643 HydrophobicContact CD1-CG2 3.85Å; L41-V643 HydrophobicContact CG-CG2 4.34Å; L41-V643 PolarHBondContact N-O 2.88Å; L41-V643 PolarHBondContact O-N 3.49Å |
| 42 | N | 94.1 | Very high | 93.3 | Very high | 29 Ų | 29 | 32.5 Ų | 32.5 | 16% | 0.155 | 18% | 0.175 | C | C | . | . | trans | -117.5 | -172.5 | 166.3 | 68.7 | 23.1 | 0 | 0 | 0 | 109.2 | T44 H45 A217 W642 | N42-T44 PolarHBondContact O-N 3.21Å; N42-T44 PolarHBondContact OD1-N 3.09Å; N42-T44 PolarHBondContact OD1-OG1 3.46Å; N42-T44 VanDerWaalsContact OD1-OG1 3.08Å; N42-H45 PolarHBondContact N-O 3.14Å; N42-H45 PolarHBondContact OD1-N 3.02Å; N42-H45 PolarHBondContact OD1-O 3.08Å; N42-A217 VanDerWaalsContact O-CB 3.27Å; N42-A217 WeakPolarHBondContact O-CB 3.28Å; N42-A217 PolarHBondContact O-N 2.94Å; N42-W642 HydrophobicContact CB-CD2 4.15Å; N42-W642 HydrophobicContact CB-CE3 3.89Å; N42-W642 HydrophobicContact CB-CH2 4.13Å; N42-W642 HydrophobicContact CB-CZ2 4.36Å; N42-W642 HydrophobicContact CB-CZ3 3.88Å | ||
| 43 | S | 92.5 | Very high | 93.5 | Very high | 22 Ų | 22 | 32.8 Ų | 32.8 | 15% | 0.154 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -56.9 | -21.6 | -178.5 | 59.9 | 0 | 0 | 0 | 0 | 115.2 | T641 | S43-T641 WeakPolarHBondContact CB-OG1 3.33Å; S43-T641 PolarHBondContact N-OG1 3.44Å |
| 44 | T | 92 | Very high | 93.8 | Very high | 75 Ų | 75 | 32.6 Ų | 32.6 | 46% | 0.46 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -123.6 | -32.9 | -169.5 | 48.9 | 0 | 0 | 0 | 0 | 114.1 | N42 | N42-T44 PolarHBondContact O-N 3.21Å; N42-T44 PolarHBondContact OD1-N 3.09Å; N42-T44 PolarHBondContact OD1-OG1 3.46Å; N42-T44 VanDerWaalsContact OD1-OG1 3.08Å |
| 45 | H | 92.6 | Very high | 93.9 | Very high | 121 Ų | 121 | 32.3 Ų | 32.3 | 56% | 0.56 | 18% | 0.184 | S | C | * | . | trans | -136.4 | 163 | -170.3 | -57.3 | 86.1 | 0 | 0 | 0 | 111.6 | L41 N42 | L41-H45 WeakPolarHBondContact CA-O 3.4Å; N42-H45 PolarHBondContact N-O 3.14Å; N42-H45 PolarHBondContact OD1-N 3.02Å; N42-H45 PolarHBondContact OD1-O 3.08Å | ||
| 46 | Q | 95.1 | Very high | 94.1 | Very high | 39 Ų | 39 | 32.2 Ų | 32.2 | 18% | 0.182 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 149.2 | 161.5 | 50 | 173.9 | 58.4 | 0 | 0 | 109 | L40 L41 D164 G215 | L40-Q46 WeakPolarHBondContact O-CA 3.47Å; L41-Q46 HydrophobicContact CD2-CB 4.31Å; L41-Q46 HydrophobicContact CG-CB 4.24Å; Q46-D164 PolarHBondContact NE2-OD2 3.32Å; Q46-G215 WeakPolarHBondContact CB-O 3.43Å; Q46-G215 WeakPolarHBondContact CG-O 3.36Å; Q46-G215 PolarHBondContact N-O 3.47Å |
| 47 | V | 95.6 | Very high | 94.2 | Very high | 8 Ų | 8 | 35.1 Ų | 35.1 | 5% | 0.048 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 168.3 | 177.7 | -53.3 | 0 | 0 | 0 | 0 | 110.1 | R39 L40 F162 W642 | R39-V47 WeakPolarHBondContact CA-O 3.33Å; L40-V47 HydrophobicContact CB-CG2 3.76Å; L40-V47 PolarHBondContact N-O 3.4Å; L40-V47 PolarHBondContact O-N 3.14Å; L40-V47 VanDerWaalsContact O-O 3.1Å; V47-F162 WeakPolarHBondContact CG1-O 3.37Å; V47-W642 HydrophobicContact CG2-CH2 4.23Å; V47-W642 HydrophobicContact CG2-CZ3 3.76Å |
| 48 | G | 95.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 85.5 | -153.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | T38 L163 W165 | T38-G48 WeakPolarHBondContact O-CA 3.39Å; G48-L163 PolarHBondContact N-O 3.15Å; G48-W165 WeakPolarHBondContact O-CB 3.36Å; G48-W165 PolarHBondContact O-N 3.02Å |
| 49 | C | 95.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | trans | -117.2 | 157.9 | -161.6 | -52.8 | 0 | 0 | 0 | 0 | 113.1 | C37 T38 W165 I167 N211 | C37-C49 HydrophobicContact CB-CB 3.57Å; C37-C49 WeakPolarHBondContact CB-SG 3.34Å; C37-C49 WeakPolarHBondContact O-CB 3.47Å; C37-C49 WeakPolarHBondContact SG-CB 3.19Å; C37-C49 PolarHBondContact SG-N 3.1Å; C37-C49 VanDerWaalsContact SG-N 3.42Å; C37-C49 CovalentContact SG-SG 2.03Å; C37-C49 PolarHBondContact SG-SG 3.31Å; T38-C49 PolarHBondContact O-N 3.48Å; C49-W165 HydrophobicContact CB-CB 4.46Å; C49-I167 WeakPolarHBondContact CA-O 3.48Å; C49-I167 WeakPolarHBondContact CB-O 3.41Å; C49-N211 PolarHBondContact O-ND2 3.13Å | ||
| 50 | H | 95.1 | Very high | 94.5 | Very high | 34 Ų | 34 | 36.1 Ų | 36.1 | 16% | 0.157 | 21% | 0.21 | C | C | . | . | trans | -160.2 | 138.9 | -177.7 | 179 | 79.1 | 0 | 0 | 0 | 112 | R39 N166 I167 P168 F210 N211 | R39-H50 VanDerWaalsContact NH1-CG 3.26Å; R39-H50 PolarHBondContact NH1-ND1 3.46Å; R39-H50 VanDerWaalsContact NH1-ND1 3.1Å; H50-N166 CarbonylContact O-C 3.58Å; H50-I167 PolarHBondContact N-O 3.41Å; H50-I167 CarbonylContact O-C 3.38Å; H50-I167 WeakPolarHBondContact O-CA 3.35Å; H50-I167 PolarHBondContact O-N 3.49Å; H50-P168 VanDerWaalsContact O-CD 3.26Å; H50-P168 WeakPolarHBondContact O-CD 3.38Å; H50-P168 VanDerWaalsContact O-N 3.14Å; H50-F210 AromaticContact CE1-CD2 3.8Å; H50-F210 AromaticContact CE1-CE2 3.8Å; H50-N211 PolarHBondContact CE1-O 2.89Å; H50-N211 PolarHBondContact ND1-N 2.79Å | ||
| 51 | S | 95.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | trans | -106.4 | 162.4 | 165.1 | 78 | 0 | 0 | 0 | 0 | 111.7 | T209 F210 | S51-T209 PolarHBondContact N-O 3.22Å; S51-T209 PolarHBondContact OG-N 2.74Å; S51-F210 WeakPolarHBondContact O-CD2 3.42Å; S51-F210 PolarHBondContact OG-N 2.97Å | ||
| 52 | S | 94.2 | Very high | 94.6 | Very high | 68 Ų | 68 | 39 Ų | 39 | 48% | 0.476 | 22% | 0.221 | S | C | . | . | trans | -59.6 | 158.3 | 162.5 | -59.2 | 0 | 0 | 0 | 0 | 111 | G54 G55 N56 | S52-G54 PolarHBondContact O-N 3.35Å; S52-G55 PolarHBondContact O-N 2.79Å; S52-N56 WeakPolarHBondContact CB-OD1 3.35Å; S52-N56 PolarHBondContact N-OD1 3.21Å; S52-N56 PolarHBondContact OG-OD1 3.07Å | ||
| 53 | K | 88.7 | Confident | 94.6 | Very high | 172 Ų | 172 | 37.6 Ų | 37.6 | 75% | 0.748 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -32.5 | -178.3 | -171.7 | 178.7 | 178.5 | -177 | 0 | 113.6 | F210 | K53-F210 VanDerWaalsContact CA-CD2 3.42Å; K53-F210 HydrophobicContact CB-CD2 3.9Å; K53-F210 HydrophobicContact CB-CE2 3.84Å; K53-F210 HydrophobicContact CB-CG 4.39Å; K53-F210 HydrophobicContact CB-CZ 4.27Å; K53-F210 HydrophobicContact CG-CD2 4.5Å; K53-F210 HydrophobicContact CG-CE2 4.47Å; K53-F210 HydrophobicContact CG-CZ 4.47Å |
| 54 | G | 88.3 | Confident | 94.7 | Very high | 64 Ų | 64 | 41.9 Ų | 41.9 | 66% | 0.66 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | 7.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | S52 | S52-G54 PolarHBondContact O-N 3.35Š|
| 55 | G | 93.8 | Very high | 94.7 | Very high | 13 Ų | 13 | 41.6 Ų | 41.6 | 13% | 0.134 | 23% | 0.225 | C | C | . | . | trans | 85.6 | 166.3 | -168.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | S52 L207 | S52-G55 PolarHBondContact O-N 2.79Å; G55-L207 WeakPolarHBondContact CA-O 3.44Å | ||
| 56 | N | 96.9 | Very high | 94.6 | Very high | 24 Ų | 24 | 41.1 Ų | 41.1 | 13% | 0.128 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 130 | 170 | -69.4 | 20.9 | 0 | 0 | 0 | 108.6 | S52 A107 P168 E206 L207 | S52-N56 WeakPolarHBondContact CB-OD1 3.35Å; S52-N56 PolarHBondContact N-OD1 3.21Å; S52-N56 PolarHBondContact OG-OD1 3.07Å; N56-A107 HydrophobicContact CB-CB 4.22Å; N56-A107 WeakPolarHBondContact CB-O 3.23Å; N56-A107 PolarHBondContact ND2-O 3.43Å; N56-P168 HydrophobicContact CB-CG 4.06Å; N56-P168 WeakPolarHBondContact ND2-CD 3.34Å; N56-E206 VanDerWaalsContact O-CA 3.31Å; N56-E206 WeakPolarHBondContact O-CA 3.17Å; N56-L207 PolarHBondContact N-O 3.36Å; N56-L207 PolarHBondContact O-N 3.45Å |
| 57 | V | 97 | Very high | 94.4 | Very high | 64 Ų | 64 | 47.7 Ų | 47.7 | 39% | 0.388 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 134.2 | 178.9 | 176.8 | 0 | 0 | 0 | 0 | 109.1 | P81 A107 A204 A205 E206 F655 | V57-P81 WeakPolarHBondContact O-CG 3.43Å; V57-A107 VanDerWaalsContact C-CB 3.5Å; V57-A107 VanDerWaalsContact O-CB 3.29Å; V57-A107 WeakPolarHBondContact O-CB 3.25Å; V57-A204 HydrophobicContact CG1-CB 4.46Å; V57-A205 WeakPolarHBondContact CA-O 3.37Å; V57-E206 HydrophobicContact CG2-CB 3.96Å; V57-E206 HydrophobicContact CG2-CG 3.87Å; V57-F655 HydrophobicContact CG1-CE1 4.45Å; V57-F655 HydrophobicContact CG1-CE2 4.34Å; V57-F655 HydrophobicContact CG1-CZ 3.59Å; V57-F655 HydrophobicContact CG2-CZ 4.23Å |
| 58 | G | 96.6 | Very high | 94.3 | Very high | 4 Ų | 4 | 49 Ų | 49 | 4% | 0.041 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 160.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114 | V60 P81 A204 A205 | G58-V60 PolarHBondContact O-N 3.19Å; G58-P81 CarbonylContact C-O 3.39Å; G58-P81 WeakPolarHBondContact CA-O 3.5Å; G58-A204 CarbonylContact O-C 3.55Å; G58-A204 VanDerWaalsContact O-CA 3.28Å; G58-A204 WeakPolarHBondContact O-CA 3.33Å; G58-A204 WeakPolarHBondContact O-CB 3.43Å; G58-A205 PolarHBondContact N-O 2.72Å; G58-A205 PolarHBondContact O-N 3.32Å |
| 59 | I | 96 | Very high | 94.2 | Very high | 21 Ų | 21 | 49.2 Ų | 49.2 | 11% | 0.108 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 128.7 | 176.7 | -56.6 | -57.9 | 0 | 0 | 0 | 109 | F61 L79 P81 Y82 V83 L202 A204 V657 | I59-F61 PolarHBondContact O-N 3.47Å; I59-L79 HydrophobicContact CG1-CB 4.47Å; I59-L79 WeakPolarHBondContact CG1-O 3.5Å; I59-P81 PolarHBondContact N-O 3.35Å; I59-Y82 HydrophobicContact CB-CD1 4.19Å; I59-Y82 CarbonylContact O-C 3.56Å; I59-Y82 VanDerWaalsContact O-CA 3.31Å; I59-Y82 WeakPolarHBondContact O-CA 2.95Å; I59-V83 PolarHBondContact O-N 2.67Å; I59-L202 HydrophobicContact CD1-CB 4.16Å; I59-L202 HydrophobicContact CD1-CD1 4.14Å; I59-L202 HydrophobicContact CG2-CD1 4.46Å; I59-A204 HydrophobicContact CD1-CB 4.31Å; I59-V657 HydrophobicContact CD1-CG2 3.56Å |
| 60 | V | 97.5 | Very high | 94 | Very high | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.006 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 130 | 179.9 | 174.9 | 0 | 0 | 0 | 0 | 109.5 | G58 V83 V85 I181 F186 N190 C203 A205 L654 | G58-V60 PolarHBondContact O-N 3.19Å; V60-V83 WeakPolarHBondContact CA-O 3.42Å; V60-V85 HydrophobicContact CG1-CG2 3.72Å; V60-I181 HydrophobicContact CG1-CG2 3.99Å; V60-F186 HydrophobicContact CG1-CB 4.17Å; V60-F186 WeakPolarHBondContact O-CD2 3.38Å; V60-N190 PolarHBondContact O-ND2 3.3Å; V60-C203 PolarHBondContact N-O 2.83Å; V60-C203 VanDerWaalsContact N-O 3.11Å; V60-A205 HydrophobicContact CG2-CB 3.69Å; V60-L654 HydrophobicContact CG2-CD2 4.31Å |
| 61 | F | 96.4 | Very high | 93.8 | Very high | 22 Ų | 22 | 53.6 Ų | 53.6 | 10% | 0.096 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 113.9 | 174.8 | -175.9 | -95.1 | 0 | 0 | 0 | 110.7 | I59 A63 D68 F71 V72 Y82 V83 I84 V85 F186 | I59-F61 PolarHBondContact O-N 3.47Å; F61-A63 HydrophobicContact CD1-CB 4.46Å; F61-A63 HydrophobicContact CE1-CB 4.33Å; F61-A63 PolarHBondContact O-N 3.38Å; F61-D68 HydrophobicContact CE1-CB 3.84Å; F61-D68 HydrophobicContact CZ-CB 4.12Å; F61-F71 HydrophobicContact CD2-CD1 4.06Å; F61-F71 HydrophobicContact CD2-CE1 4.06Å; F61-F71 HydrophobicContact CE1-CD1 4.45Å; F61-F71 AromaticContact CE2-CD1 3.26Å; F61-F71 HydrophobicContact CE2-CD1 3.26Å; F61-F71 AromaticContact CE2-CE1 3.48Å; F61-F71 HydrophobicContact CE2-CE1 3.48Å; F61-F71 VanDerWaalsContact CE2-CE1 3.48Å; F61-F71 HydrophobicContact CE2-CG 4.16Å; F61-F71 HydrophobicContact CZ-CB 4.16Å; F61-F71 AromaticContact CZ-CD1 3.49Å; F61-F71 HydrophobicContact CZ-CD1 3.49Å; F61-F71 VanDerWaalsContact CZ-CD1 3.49Å; F61-F71 HydrophobicContact CZ-CE1 4.19Å; F61-F71 HydrophobicContact CZ-CG 4.06Å; F61-V72 HydrophobicContact CD1-CG2 3.44Å; F61-V72 VanDerWaalsContact CD1-CG2 3.44Å; F61-V72 HydrophobicContact CE1-CG2 3.58Å; F61-V72 HydrophobicContact CG-CG2 4.03Å; F61-V72 HydrophobicContact CZ-CG2 4.3Å; F61-Y82 HydrophobicContact CB-CD1 3.96Å; F61-V83 PolarHBondContact N-O 2.81Å; F61-I84 CarbonylContact O-C 3.53Å; F61-I84 WeakPolarHBondContact O-CA 3.24Å; F61-V85 PolarHBondContact O-N 2.61Å; F61-F186 AromaticContact CD2-CE2 3.83Å; F61-F186 HydrophobicContact CD2-CE2 3.83Å; F61-F186 HydrophobicContact CD2-CZ 4.32Å; F61-F186 HydrophobicContact CE2-CE2 4.37Å; F61-F186 HydrophobicContact CE2-CZ 4.43Å; F61-F186 HydrophobicContact CG-CE2 4.34Å |
| 62 | W | 96.7 | Very high | 93.6 | Very high | 38 Ų | 38 | 53.6 Ų | 53.6 | 14% | 0.144 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 103.7 | -180 | -176.2 | 32.8 | 0 | 0 | 0 | 110.9 | R64 V85 Y112 T182 F186 V187 | W62-R64 HydrophobicContact CD2-CG 3.95Å; W62-R64 HydrophobicContact CE3-CG 4.21Å; W62-R64 HydrophobicContact CG-CG 4.44Å; W62-R64 HydrophobicContact CH2-CG 4.42Å; W62-R64 HydrophobicContact CZ2-CG 4.15Å; W62-R64 HydrophobicContact CZ3-CG 4.44Å; W62-R64 PolarHBondContact O-N 3.41Å; W62-V85 CarbonylContact C-O 3.58Å; W62-V85 WeakPolarHBondContact CA-O 3.43Å; W62-Y112 AromaticContact NE1-CE1 3.74Å; W62-Y112 AromaticContact NE1-CZ 3.71Å; W62-Y112 PolarHBondContact NE1-OH 2.65Å; W62-T182 HydrophobicContact CD2-CG2 3.96Å; W62-T182 HydrophobicContact CG-CG2 4.07Å; W62-T182 HydrophobicContact CZ2-CG2 4.26Å; W62-F186 HydrophobicContact CB-CB 4.13Å; W62-F186 HydrophobicContact CB-CD1 3.49Å; W62-F186 VanDerWaalsContact CB-CD1 3.49Å; W62-F186 HydrophobicContact CB-CD2 4.07Å; W62-F186 HydrophobicContact CB-CE1 3.82Å; W62-F186 HydrophobicContact CB-CE2 4.37Å; W62-F186 HydrophobicContact CB-CG 3.6Å; W62-F186 HydrophobicContact CB-CZ 4.24Å; W62-F186 AromaticContact CE3-CD1 3.97Å; W62-F186 HydrophobicContact CE3-CD1 3.97Å; W62-F186 HydrophobicContact CE3-CE1 4.33Å; W62-F186 HydrophobicContact CG-CD1 4.42Å; W62-F186 VanDerWaalsContact N-CD2 3.33Å; W62-V187 HydrophobicContact CE3-CG2 4.24Å; W62-V187 HydrophobicContact CZ3-CG2 4.09Å |
| 63 | A | 95.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 111.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110 | F61 D68 F69 I84 V85 A86 | F61-A63 HydrophobicContact CD1-CB 4.46Å; F61-A63 HydrophobicContact CE1-CB 4.33Å; F61-A63 PolarHBondContact O-N 3.38Å; A63-D68 HydrophobicContact CB-CB 4.08Å; A63-F69 HydrophobicContact CB-CD1 4.5Å; A63-F69 HydrophobicContact CB-CE1 4.07Å; A63-I84 HydrophobicContact CB-CG2 4.09Å; A63-V85 PolarHBondContact N-O 2.85Å; A63-A86 HydrophobicContact CB-CB 4.35Å |
| 64 | R | 93.8 | Very high | 93.7 | Very high | 111 Ų | 111 | 50.4 Ų | 50.4 | 42% | 0.419 | 27% | 0.272 | S | S | . | . | trans | -92.5 | -27 | -178.2 | -68.5 | 179.8 | -76.7 | -152.8 | -10.5 | 112.1 | W62 D68 V90 E191 | W62-R64 HydrophobicContact CD2-CG 3.95Å; W62-R64 HydrophobicContact CE3-CG 4.21Å; W62-R64 HydrophobicContact CG-CG 4.44Å; W62-R64 HydrophobicContact CH2-CG 4.42Å; W62-R64 HydrophobicContact CZ2-CG 4.15Å; W62-R64 HydrophobicContact CZ3-CG 4.44Å; W62-R64 PolarHBondContact O-N 3.41Å; R64-D68 WeakPolarHBondContact CA-OD2 3.31Å; R64-D68 PolarHBondContact N-OD2 2.7Å; R64-V90 VanDerWaalsContact O-CG2 3.26Å; R64-V90 WeakPolarHBondContact O-CG2 3.26Å; R64-E191 IonicContact CZ-OE1 2.78Å; R64-E191 VanDerWaalsContact CZ-OE1 3.3Å; R64-E191 IonicContact NH1-OE1 2.65Å; R64-E191 PolarHBondContact NH1-OE1 3.21Å; R64-E191 IonicContact NH2-OE1 2.84Å; R64-E191 PolarHBondContact NH2-OE1 3.24Å | ||
| 65 | T | 93.4 | Very high | 93.7 | Very high | 69 Ų | 69 | 47.6 Ų | 47.6 | 42% | 0.423 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -140.8 | 162.8 | -177.6 | 71 | 0 | 0 | 0 | 0 | 111 | K67 D68 | T65-K67 PolarHBondContact O-N 2.8Å; T65-K67 VanDerWaalsContact O-N 3.14Å; T65-K67 PolarHBondContact OG1-N 2.98Å; T65-D68 PolarHBondContact N-OD2 3.04Å; T65-D68 WeakPolarHBondContact O-CB 3.09Å; T65-D68 PolarHBondContact O-N 2.7Å; T65-D68 PolarHBondContact OG1-OD2 3.19Å |
| 66 | Q | 90 | Very high | 93.4 | Very high | 112 Ų | 112 | 51.3 Ų | 51.3 | 52% | 0.523 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -28.9 | 175.8 | -172.3 | -177 | 3 | 0 | 0 | 113.1 | D68 F69 H93 | Q66-D68 PolarHBondContact O-N 3.4Å; Q66-F69 HydrophobicContact CG-CD2 4.23Å; Q66-F69 WeakPolarHBondContact O-CD2 3.18Å; Q66-F69 PolarHBondContact O-N 3.05Å; Q66-H93 HydrophobicContact CG-CB 4.17Å |
| 67 | K | 91.1 | Very high | 92.8 | Very high | 176 Ų | 176 | 53.5 Ų | 53.5 | 77% | 0.765 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -24.7 | 179.4 | -65.8 | -178.3 | -179.4 | 177.2 | 0 | 112.4 | T65 F69 A70 | T65-K67 PolarHBondContact O-N 2.8Å; T65-K67 VanDerWaalsContact O-N 3.14Å; T65-K67 PolarHBondContact OG1-N 2.98Å; K67-F69 PolarHBondContact O-N 2.8Å; K67-A70 WeakPolarHBondContact O-CB 3.45Å; K67-A70 PolarHBondContact O-N 3.26Å; K67-A70 VanDerWaalsContact O-N 3.08Å |
| 68 | D | 93.1 | Very high | 92.4 | Very high | 37 Ų | 37 | 56.9 Ų | 56.9 | 20% | 0.198 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -69.3 | -22.5 | -178.6 | -58.9 | -38.7 | 0 | 0 | 0 | 111.9 | F61 A63 R64 T65 Q66 A70 F71 V72 | F61-D68 HydrophobicContact CE1-CB 3.84Å; F61-D68 HydrophobicContact CZ-CB 4.12Å; A63-D68 HydrophobicContact CB-CB 4.08Å; R64-D68 WeakPolarHBondContact CA-OD2 3.31Å; R64-D68 PolarHBondContact N-OD2 2.7Å; T65-D68 PolarHBondContact N-OD2 3.04Å; T65-D68 WeakPolarHBondContact O-CB 3.09Å; T65-D68 PolarHBondContact O-N 2.7Å; T65-D68 PolarHBondContact OG1-OD2 3.19Å; Q66-D68 PolarHBondContact O-N 3.4Å; D68-A70 PolarHBondContact O-N 3.07Å; D68-F71 WeakPolarHBondContact O-CB 3.42Å; D68-F71 PolarHBondContact O-N 3.06Å; D68-F71 VanDerWaalsContact O-N 3.15Å; D68-V72 PolarHBondContact O-N 3.39Å |
| 69 | F | 93.5 | Very high | 92 | Very high | 3 Ų | 3 | 57.7 Ų | 57.7 | 1% | 0.013 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.6 | -31 | 171.7 | -60.3 | -47.8 | 0 | 0 | 0 | 112.5 | A63 Q66 K67 F71 V72 L73 I84 V90 H93 I94 L98 L102 | A63-F69 HydrophobicContact CB-CD1 4.5Å; A63-F69 HydrophobicContact CB-CE1 4.07Å; Q66-F69 HydrophobicContact CG-CD2 4.23Å; Q66-F69 WeakPolarHBondContact O-CD2 3.18Å; Q66-F69 PolarHBondContact O-N 3.05Å; K67-F69 PolarHBondContact O-N 2.8Å; F69-F71 VanDerWaalsContact C-N 3.28Å; F69-F71 PolarHBondContact O-N 3.04Å; F69-V72 PolarHBondContact O-N 3.32Å; F69-L73 WeakPolarHBondContact O-CG 3.29Å; F69-L73 PolarHBondContact O-N 3.37Å; F69-I84 HydrophobicContact CD1-CD1 4Å; F69-I84 HydrophobicContact CE1-CD1 4.11Å; F69-I84 HydrophobicContact CE1-CG2 4.23Å; F69-V90 HydrophobicContact CE2-CG1 4.04Å; F69-V90 HydrophobicContact CZ-CG1 3.81Å; F69-H93 HydrophobicContact CE2-CB 4.36Å; F69-I94 HydrophobicContact CE1-CD1 4Å; F69-I94 HydrophobicContact CE1-CG1 4.22Å; F69-I94 HydrophobicContact CE2-CG1 4.1Å; F69-I94 HydrophobicContact CZ-CD1 3.9Å; F69-I94 HydrophobicContact CZ-CG1 3.73Å; F69-L98 HydrophobicContact CB-CD2 4.46Å; F69-L98 HydrophobicContact CD2-CD2 3.86Å; F69-L98 HydrophobicContact CE2-CD2 4.38Å; F69-L98 HydrophobicContact CG-CD2 4.28Å; F69-L102 HydrophobicContact CD1-CD1 4.39Å |
| 70 | A | 91.5 | Very high | 91.8 | Very high | 49 Ų | 49 | 58.2 Ų | 58.2 | 41% | 0.405 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -67.1 | -31.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | K67 D68 L73 N74 | K67-A70 WeakPolarHBondContact O-CB 3.45Å; K67-A70 PolarHBondContact O-N 3.26Å; K67-A70 VanDerWaalsContact O-N 3.08Å; D68-A70 PolarHBondContact O-N 3.07Å; A70-L73 PolarHBondContact O-N 3.4Å; A70-N74 WeakPolarHBondContact O-CB 3.04Å; A70-N74 VanDerWaalsContact O-CG 3.24Å; A70-N74 PolarHBondContact O-N 2.78Å |
| 71 | F | 89.4 | Confident | 91.7 | Very high | 77 Ų | 77 | 61.1 Ų | 61.1 | 34% | 0.338 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64.7 | -46.2 | 173.8 | -179.8 | -89.2 | 0 | 0 | 0 | 111.2 | F61 D68 F69 L73 N74 D75 F77 | F61-F71 HydrophobicContact CD2-CD1 4.06Å; F61-F71 HydrophobicContact CD2-CE1 4.06Å; F61-F71 HydrophobicContact CE1-CD1 4.45Å; F61-F71 AromaticContact CE2-CD1 3.26Å; F61-F71 HydrophobicContact CE2-CD1 3.26Å; F61-F71 AromaticContact CE2-CE1 3.48Å; F61-F71 HydrophobicContact CE2-CE1 3.48Å; F61-F71 VanDerWaalsContact CE2-CE1 3.48Å; F61-F71 HydrophobicContact CE2-CG 4.16Å; F61-F71 HydrophobicContact CZ-CB 4.16Å; F61-F71 AromaticContact CZ-CD1 3.49Å; F61-F71 HydrophobicContact CZ-CD1 3.49Å; F61-F71 VanDerWaalsContact CZ-CD1 3.49Å; F61-F71 HydrophobicContact CZ-CE1 4.19Å; F61-F71 HydrophobicContact CZ-CG 4.06Å; D68-F71 WeakPolarHBondContact O-CB 3.42Å; D68-F71 PolarHBondContact O-N 3.06Å; D68-F71 VanDerWaalsContact O-N 3.15Å; F69-F71 VanDerWaalsContact C-N 3.28Å; F69-F71 PolarHBondContact O-N 3.04Å; F71-L73 VanDerWaalsContact C-N 3.31Å; F71-L73 PolarHBondContact O-N 3.45Å; F71-N74 PolarHBondContact O-N 3.48Å; F71-D75 PolarHBondContact O-N 2.88Å; F71-F77 HydrophobicContact CE2-CE2 4.24Å; F71-F77 HydrophobicContact CZ-CD2 4.14Å; F71-F77 HydrophobicContact CZ-CE2 4.18Å |
| 72 | V | 92.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.8 | -38.8 | 177.2 | 179.2 | 0 | 0 | 0 | 0 | 111.5 | F61 D68 F69 Y82 I84 L102 K105 L106 | F61-V72 HydrophobicContact CD1-CG2 3.44Å; F61-V72 VanDerWaalsContact CD1-CG2 3.44Å; F61-V72 HydrophobicContact CE1-CG2 3.58Å; F61-V72 HydrophobicContact CG-CG2 4.03Å; F61-V72 HydrophobicContact CZ-CG2 4.3Å; D68-V72 PolarHBondContact O-N 3.39Å; F69-V72 PolarHBondContact O-N 3.32Å; V72-Y82 HydrophobicContact CG1-CD2 3.71Å; V72-Y82 HydrophobicContact CG1-CE2 4.28Å; V72-Y82 HydrophobicContact CG1-CG 4.22Å; V72-I84 HydrophobicContact CG1-CD1 4.29Å; V72-I84 HydrophobicContact CG2-CD1 4.24Å; V72-I84 HydrophobicContact CG2-CG1 4.33Å; V72-L102 HydrophobicContact CB-CD2 4.16Å; V72-L102 HydrophobicContact CG1-CD2 3.88Å; V72-K105 HydrophobicContact CG1-CB 4.37Å; V72-L106 HydrophobicContact CG1-CD2 4.09Å |
| 73 | L | 93.5 | Very high | 91.8 | Very high | 53 Ų | 53 | 58.4 Ų | 58.4 | 28% | 0.277 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -66.2 | -45.9 | 176.8 | -73.7 | 170.3 | 0 | 0 | 0 | 112.3 | F69 A70 F71 D75 L98 K101 L102 | F69-L73 WeakPolarHBondContact O-CG 3.29Å; F69-L73 PolarHBondContact O-N 3.37Å; A70-L73 PolarHBondContact O-N 3.4Å; F71-L73 VanDerWaalsContact C-N 3.31Å; F71-L73 PolarHBondContact O-N 3.45Å; L73-D75 VanDerWaalsContact C-N 3.34Å; L73-L98 HydrophobicContact CD1-CD1 4.04Å; L73-K101 HydrophobicContact CD2-CB 3.78Å; L73-K101 WeakPolarHBondContact CD2-O 3.46Å; L73-L102 HydrophobicContact CD2-CD2 3.61Å; L73-L102 HydrophobicContact CD2-CG 3.96Å; L73-L102 HydrophobicContact CG-CD2 3.66Å; L73-L102 HydrophobicContact CG-CG 4.34Å |
| 74 | N | 91.1 | Very high | 91.9 | Very high | 120 Ų | 120 | 58.5 Ų | 58.5 | 64% | 0.642 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -69.6 | -33.3 | -178.4 | -72.9 | -9.7 | 0 | 0 | 0 | 112 | A70 F71 T76 | A70-N74 WeakPolarHBondContact O-CB 3.04Å; A70-N74 VanDerWaalsContact O-CG 3.24Å; A70-N74 PolarHBondContact O-N 2.78Å; F71-N74 PolarHBondContact O-N 3.48Å; N74-T76 HydrophobicContact CB-CG2 4.15Å; N74-T76 PolarHBondContact O-N 3Å; N74-T76 VanDerWaalsContact O-N 3.11Å |
| 75 | D | 88.9 | Confident | 92.1 | Very high | 5 Ų | 5 | 53.3 Ų | 53.3 | 3% | 0.027 | 29% | 0.287 | C | S | . | . | trans | 43.6 | 49.2 | 175.6 | -176.2 | 26.5 | 0 | 0 | 0 | 112.3 | F71 L73 F77 N78 L79 A80 Y82 K105 | F71-D75 PolarHBondContact O-N 2.88Å; L73-D75 VanDerWaalsContact C-N 3.34Å; D75-F77 PolarHBondContact O-N 2.89Å; D75-N78 PolarHBondContact O-N 3.31Å; D75-N78 VanDerWaalsContact OD1-CA 3.31Å; D75-N78 WeakPolarHBondContact OD1-CA 3.45Å; D75-N78 PolarHBondContact OD1-N 3.47Å; D75-L79 PolarHBondContact OD1-N 3.18Å; D75-A80 PolarHBondContact OD1-N 2.83Å; D75-A80 WeakPolarHBondContact OD2-CB 3.43Å; D75-Y82 HydrophobicContact CB-CE2 4.31Å; D75-Y82 PolarHBondContact OD1-OH 3.33Å; D75-Y82 VanDerWaalsContact OD1-OH 3.07Å; D75-K105 HydrophobicContact CB-CD 4.29Å; D75-K105 IonicContact OD2-NZ 3.56Å; D75-K105 PolarHBondContact OD2-NZ 2.83Å | ||
| 76 | T | 86.5 | Confident | 92.2 | Very high | 91 Ų | 91 | 50 Ų | 50 | 56% | 0.558 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -21.6 | -169.7 | 51.3 | 0 | 0 | 0 | 0 | 113.6 | N74 | N74-T76 HydrophobicContact CB-CG2 4.15Å; N74-T76 PolarHBondContact O-N 3Å; N74-T76 VanDerWaalsContact O-N 3.11Å |
| 77 | F | 85.5 | Confident | 92.4 | Very high | 70 Ų | 70 | 45.6 Ų | 45.6 | 31% | 0.307 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | 2.8 | -177.7 | -59.6 | -67.6 | 0 | 0 | 0 | 114 | F71 D75 L79 Y193 N194 | F71-F77 HydrophobicContact CE2-CE2 4.24Å; F71-F77 HydrophobicContact CZ-CD2 4.14Å; F71-F77 HydrophobicContact CZ-CE2 4.18Å; D75-F77 PolarHBondContact O-N 2.89Å; F77-L79 VanDerWaalsContact C-N 3.33Å; F77-L79 HydrophobicContact CB-CD1 4.29Å; F77-L79 HydrophobicContact CB-CG 3.98Å; F77-L79 PolarHBondContact O-N 3.35Å; F77-Y193 HydrophobicContact CB-CD1 4.18Å; F77-Y193 HydrophobicContact CB-CE1 3.79Å; F77-Y193 HydrophobicContact CD1-CD1 4.37Å; F77-Y193 HydrophobicContact CD1-CE1 4.16Å; F77-Y193 HydrophobicContact CD2-CD1 4.04Å; F77-Y193 HydrophobicContact CD2-CE1 4.44Å; F77-Y193 WeakPolarHBondContact CE2-O 3.48Å; F77-Y193 AromaticContact CG-CD1 3.94Å; F77-Y193 HydrophobicContact CG-CD1 3.94Å; F77-Y193 AromaticContact CG-CE1 3.88Å; F77-Y193 HydrophobicContact CG-CE1 3.88Å; F77-N194 VanDerWaalsContact CE1-C 3.45Å |
| 78 | N | 88.2 | Confident | 92.4 | Very high | 136 Ų | 136 | 37.5 Ų | 37.5 | 73% | 0.727 | 21% | 0.211 | S | C | * | . | trans | 51.1 | 48.6 | -176.3 | -61.6 | -51.5 | 0 | 0 | 0 | 112.7 | D75 | D75-N78 PolarHBondContact O-N 3.31Å; D75-N78 VanDerWaalsContact OD1-CA 3.31Å; D75-N78 WeakPolarHBondContact OD1-CA 3.45Å; D75-N78 PolarHBondContact OD1-N 3.47Å | ||
| 79 | L | 89.1 | Confident | 92.3 | Very high | 20 Ų | 20 | 41.4 Ų | 41.4 | 11% | 0.105 | 22% | 0.223 | C | C | . | . | trans | -93.4 | -10.6 | 177.9 | -65.6 | 177.8 | 0 | 0 | 0 | 112.8 | I59 D75 F77 Y82 Y193 L202 | I59-L79 HydrophobicContact CG1-CB 4.47Å; I59-L79 WeakPolarHBondContact CG1-O 3.5Å; D75-L79 PolarHBondContact OD1-N 3.18Å; F77-L79 VanDerWaalsContact C-N 3.33Å; F77-L79 HydrophobicContact CB-CD1 4.29Å; F77-L79 HydrophobicContact CB-CG 3.98Å; F77-L79 PolarHBondContact O-N 3.35Å; L79-Y82 HydrophobicContact CB-CE1 3.94Å; L79-Y193 HydrophobicContact CD1-CD1 3.68Å; L79-Y193 HydrophobicContact CD1-CE1 3.8Å; L79-Y193 HydrophobicContact CD1-CG 4.22Å; L79-Y193 HydrophobicContact CD2-CE1 4.01Å; L79-Y193 HydrophobicContact CG-CE1 4.16Å; L79-L202 HydrophobicContact CD1-CD1 4.3Å; L79-L202 HydrophobicContact CD2-CD1 3.74Å | ||
| 80 | A | 91 | Very high | 92.3 | Very high | 33 Ų | 33 | 41.5 Ų | 41.5 | 27% | 0.273 | 22% | 0.224 | S | C | . | . | P | Polyproline II helix | trans | -52.9 | 146.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | D75 Y82 K105 | D75-A80 PolarHBondContact OD1-N 2.83Å; D75-A80 WeakPolarHBondContact OD2-CB 3.43Å; A80-Y82 HydrophobicContact CB-CD2 4.03Å; A80-Y82 HydrophobicContact CB-CE2 3.96Å; A80-K105 HydrophobicContact CB-CB 4.49Å; A80-K105 HydrophobicContact CB-CD 3.76Å |
| 81 | P | 96 | Very high | 92.2 | Very high | 61 Ų | 61 | 39.3 Ų | 39.3 | 40% | 0.396 | 21% | 0.206 | S | C | . | . | S | Bend | cis | -84.5 | 150.1 | 10.2 | 35.4 | -38.1 | 0 | 0 | 0 | 114.2 | V57 G58 I59 K105 A107 | V57-P81 WeakPolarHBondContact O-CG 3.43Å; G58-P81 CarbonylContact C-O 3.39Å; G58-P81 WeakPolarHBondContact CA-O 3.5Å; I59-P81 PolarHBondContact N-O 3.35Å; P81-K105 CarbonylContact C-O 3.56Å; P81-K105 WeakPolarHBondContact CA-O 3.13Å; P81-A107 HydrophobicContact CB-CB 3.9Å; P81-A107 HydrophobicContact CG-CB 4.18Å |
| 82 | Y | 97 | Very high | 92.1 | Very high | 3 Ų | 3 | 35.9 Ų | 35.9 | 1% | 0.012 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 148.2 | -179.9 | -65.7 | -82.7 | 0 | 0 | 0 | 112.7 | I59 F61 V72 D75 L79 A80 K105 L106 A107 | I59-Y82 HydrophobicContact CB-CD1 4.19Å; I59-Y82 CarbonylContact O-C 3.56Å; I59-Y82 VanDerWaalsContact O-CA 3.31Å; I59-Y82 WeakPolarHBondContact O-CA 2.95Å; F61-Y82 HydrophobicContact CB-CD1 3.96Å; V72-Y82 HydrophobicContact CG1-CD2 3.71Å; V72-Y82 HydrophobicContact CG1-CE2 4.28Å; V72-Y82 HydrophobicContact CG1-CG 4.22Å; D75-Y82 HydrophobicContact CB-CE2 4.31Å; D75-Y82 PolarHBondContact OD1-OH 3.33Å; D75-Y82 VanDerWaalsContact OD1-OH 3.07Å; L79-Y82 HydrophobicContact CB-CE1 3.94Å; A80-Y82 HydrophobicContact CB-CD2 4.03Å; A80-Y82 HydrophobicContact CB-CE2 3.96Å; Y82-K105 PolarHBondContact N-O 2.92Å; Y82-L106 CarbonylContact O-C 3.54Å; Y82-L106 WeakPolarHBondContact O-CA 3.39Å; Y82-A107 PolarHBondContact O-N 2.84Å |
| 83 | V | 97.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 107.7 | 160.2 | 176.1 | 0 | 0 | 0 | 0 | 107.7 | I59 V60 F61 A107 G108 I110 A205 L207 | I59-V83 PolarHBondContact O-N 2.67Å; V60-V83 WeakPolarHBondContact CA-O 3.42Å; F61-V83 PolarHBondContact N-O 2.81Å; V83-A107 HydrophobicContact CG2-CB 3.95Å; V83-G108 WeakPolarHBondContact CA-O 3.48Å; V83-I110 HydrophobicContact CG1-CD1 3.91Å; V83-I110 HydrophobicContact CG1-CG1 3.99Å; V83-A205 HydrophobicContact CB-CB 4.24Å; V83-A205 HydrophobicContact CG1-CB 4.17Å; V83-A205 HydrophobicContact CG2-CB 4.15Å; V83-L207 HydrophobicContact CG1-CD1 3.91Å; V83-L207 HydrophobicContact CG2-CD1 4.47Å |
| 84 | I | 97 | Very high | 91.6 | Very high | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.015 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 130.4 | 178 | -71.9 | 178.2 | 0 | 0 | 0 | 109 | F61 A63 F69 V72 A86 L106 G108 A109 I110 | F61-I84 CarbonylContact O-C 3.53Å; F61-I84 WeakPolarHBondContact O-CA 3.24Å; A63-I84 HydrophobicContact CB-CG2 4.09Å; F69-I84 HydrophobicContact CD1-CD1 4Å; F69-I84 HydrophobicContact CE1-CD1 4.11Å; F69-I84 HydrophobicContact CE1-CG2 4.23Å; V72-I84 HydrophobicContact CG1-CD1 4.29Å; V72-I84 HydrophobicContact CG2-CD1 4.24Å; V72-I84 HydrophobicContact CG2-CG1 4.33Å; I84-A86 HydrophobicContact CG2-CB 4.05Å; I84-L106 HydrophobicContact CD1-CD1 4.33Å; I84-L106 HydrophobicContact CD1-CD2 3.48Å; I84-L106 VanDerWaalsContact CD1-CD2 3.48Å; I84-L106 HydrophobicContact CG1-CD2 3.62Å; I84-G108 PolarHBondContact N-O 3.39Å; I84-G108 VanDerWaalsContact N-O 3.12Å; I84-A109 CarbonylContact O-C 3.57Å; I84-A109 VanDerWaalsContact O-CA 3.28Å; I84-A109 WeakPolarHBondContact O-CA 3.06Å; I84-I110 PolarHBondContact O-N 3.38Å |
| 85 | V | 97.5 | Very high | 91.4 | Very high | 2 Ų | 2 | 34.4 Ų | 34.4 | 1% | 0.012 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 120.9 | 169.4 | -174.2 | 0 | 0 | 0 | 0 | 106.8 | V60 F61 W62 A63 I110 Y112 I181 T182 | V60-V85 HydrophobicContact CG1-CG2 3.72Å; F61-V85 PolarHBondContact O-N 2.61Å; W62-V85 CarbonylContact C-O 3.58Å; W62-V85 WeakPolarHBondContact CA-O 3.43Å; A63-V85 PolarHBondContact N-O 2.85Å; V85-I110 CarbonylContact C-O 3.48Å; V85-I110 VanDerWaalsContact CA-O 3.3Å; V85-I110 WeakPolarHBondContact CA-O 3.4Å; V85-I110 HydrophobicContact CG1-CB 4.46Å; V85-I110 HydrophobicContact CG1-CG2 4.47Å; V85-I110 HydrophobicContact CG2-CB 4.22Å; V85-I110 HydrophobicContact CG2-CD1 4.23Å; V85-Y112 HydrophobicContact CG1-CD1 3.91Å; V85-Y112 HydrophobicContact CG1-CE1 4Å; V85-I181 HydrophobicContact CB-CG2 4.34Å; V85-I181 HydrophobicContact CG1-CG2 4.02Å; V85-I181 HydrophobicContact CG2-CG2 3.57Å; V85-T182 HydrophobicContact CG1-CG2 4.3Å |
| 86 | A | 96 | Very high | 91.4 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 140.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | A63 I84 V90 F91 I110 I111 Y112 | A63-A86 HydrophobicContact CB-CB 4.35Å; I84-A86 HydrophobicContact CG2-CB 4.05Å; A86-V90 HydrophobicContact CB-CB 4.33Å; A86-F91 HydrophobicContact CB-CB 4.37Å; A86-I110 PolarHBondContact N-O 3.06Å; A86-I111 WeakPolarHBondContact O-CA 3.44Å; A86-Y112 WeakPolarHBondContact O-CD1 3.35Å; A86-Y112 PolarHBondContact O-N 2.79Å |
| 87 | H | 94.6 | Very high | 91.6 | Very high | 19 Ų | 19 | 38.3 Ų | 38.3 | 9% | 0.088 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 147.6 | 168.6 | -174.9 | -90.6 | 0 | 0 | 0 | 109.6 | R89 V90 F91 Y112 E114 | H87-R89 HydrophobicContact CB-CG 4.26Å; H87-R89 WeakPolarHBondContact ND1-CB 3.44Å; H87-R89 WeakPolarHBondContact ND1-CD 3.25Å; H87-R89 WeakPolarHBondContact ND1-CG 3.29Å; H87-R89 PolarHBondContact ND1-N 3.33Å; H87-R89 VanDerWaalsContact ND1-N 3.15Å; H87-R89 PolarHBondContact O-N 3.31Å; H87-V90 WeakPolarHBondContact O-CA 3.37Å; H87-V90 PolarHBondContact O-N 3.04Å; H87-F91 PolarHBondContact O-N 3.35Å; H87-Y112 CarbonylContact C-O 3.57Å; H87-Y112 VanDerWaalsContact CA-O 3.28Å; H87-Y112 WeakPolarHBondContact CA-O 3.49Å; H87-Y112 HydrophobicContact CB-CE1 4.22Å; H87-Y112 HydrophobicContact CB-CE2 3.98Å; H87-Y112 AromaticContact CD2-CD2 3.97Å; H87-Y112 AromaticContact CD2-CE2 3.67Å; H87-Y112 PolarHBondContact CD2-O 3.5Å; H87-Y112 VanDerWaalsContact N-CE1 3.29Å; H87-E114 IonicContact CD2-OE2 3.61Å; H87-E114 IonicContact NE2-OE2 2.83Å; H87-E114 PolarHBondContact NE2-OE2 3.13Å |
| 88 | A | 92.2 | Very high | 91.9 | Very high | 5 Ų | 5 | 36.3 Ų | 36.3 | 4% | 0.041 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -47.9 | -41.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | V90 F91 S92 I111 Y112 F113 F455 | A88-V90 VanDerWaalsContact C-N 3.31Å; A88-V90 PolarHBondContact O-N 2.89Å; A88-F91 PolarHBondContact O-N 2.71Å; A88-S92 PolarHBondContact O-N 3Å; A88-I111 HydrophobicContact CB-CG2 4.18Å; A88-Y112 PolarHBondContact N-O 2.95Å; A88-F113 HydrophobicContact CB-CB 4.01Å; A88-F455 HydrophobicContact CB-CE2 3.91Å; A88-F455 HydrophobicContact CB-CZ 3.92Å |
| 89 | R | 90.7 | Very high | 92.1 | Very high | 119 Ų | 119 | 30 Ų | 30 | 45% | 0.449 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -54.7 | -41 | 174.2 | 80.2 | -166.4 | 174.8 | 163.6 | -2.4 | 113.8 | H87 S92 H93 | H87-R89 HydrophobicContact CB-CG 4.26Å; H87-R89 WeakPolarHBondContact ND1-CB 3.44Å; H87-R89 WeakPolarHBondContact ND1-CD 3.25Å; H87-R89 WeakPolarHBondContact ND1-CG 3.29Å; H87-R89 PolarHBondContact ND1-N 3.33Å; H87-R89 VanDerWaalsContact ND1-N 3.15Å; H87-R89 PolarHBondContact O-N 3.31Å; R89-S92 PolarHBondContact O-OG 2.8Å; R89-H93 PolarHBondContact O-CD2 3.11Å; R89-H93 VanDerWaalsContact O-CD2 3.3Å |
| 90 | V | 92.3 | Very high | 92.3 | Very high | 6 Ų | 6 | 35.5 Ų | 35.5 | 4% | 0.036 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -80.3 | -42.1 | -178.6 | -176.1 | 0 | 0 | 0 | 0 | 109.7 | R64 F69 A86 H87 A88 S92 H93 | R64-V90 VanDerWaalsContact O-CG2 3.26Å; R64-V90 WeakPolarHBondContact O-CG2 3.26Å; F69-V90 HydrophobicContact CE2-CG1 4.04Å; F69-V90 HydrophobicContact CZ-CG1 3.81Å; A86-V90 HydrophobicContact CB-CB 4.33Å; H87-V90 WeakPolarHBondContact O-CA 3.37Å; H87-V90 PolarHBondContact O-N 3.04Å; A88-V90 VanDerWaalsContact C-N 3.31Å; A88-V90 PolarHBondContact O-N 2.89Å; V90-S92 PolarHBondContact O-N 3.33Å; V90-H93 WeakPolarHBondContact O-CB 3.47Å; V90-H93 PolarHBondContact O-CD2 3.22Å; V90-H93 PolarHBondContact O-N 3.06Å; V90-H93 VanDerWaalsContact O-N 3.15Å |
| 91 | F | 90.1 | Very high | 92.5 | Very high | 3 Ų | 3 | 39.5 Ų | 39.5 | 1% | 0.013 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.8 | -34.5 | 177.5 | -173.7 | -90.4 | 0 | 0 | 0 | 112.3 | A86 H87 A88 H93 I94 A109 I111 W165 V169 L275 | A86-F91 HydrophobicContact CB-CB 4.37Å; H87-F91 PolarHBondContact O-N 3.35Å; A88-F91 PolarHBondContact O-N 2.71Å; F91-H93 PolarHBondContact O-N 3.17Å; F91-I94 HydrophobicContact CD2-CD1 3.72Å; F91-I94 HydrophobicContact CE2-CD1 3.87Å; F91-I94 HydrophobicContact CG-CD1 4.44Å; F91-I94 WeakPolarHBondContact O-CB 3.44Å; F91-I94 PolarHBondContact O-N 3.46Å; F91-A109 HydrophobicContact CE2-CB 4.3Å; F91-I111 HydrophobicContact CB-CG1 4.45Å; F91-I111 HydrophobicContact CB-CG2 4.18Å; F91-I111 HydrophobicContact CD1-CD1 3.42Å; F91-I111 VanDerWaalsContact CD1-CD1 3.42Å; F91-I111 HydrophobicContact CD1-CG1 4.15Å; F91-I111 HydrophobicContact CD2-CD1 3.73Å; F91-I111 HydrophobicContact CD2-CG1 3.58Å; F91-I111 HydrophobicContact CE1-CD1 3.27Å; F91-I111 HydrophobicContact CE1-CG1 4.23Å; F91-I111 HydrophobicContact CE2-CD1 3.59Å; F91-I111 HydrophobicContact CE2-CG1 3.67Å; F91-I111 HydrophobicContact CG-CD1 3.62Å; F91-I111 HydrophobicContact CG-CG1 3.8Å; F91-I111 HydrophobicContact CG-CG2 4.33Å; F91-I111 HydrophobicContact CZ-CD1 3.33Å; F91-I111 HydrophobicContact CZ-CG1 3.97Å; F91-W165 AromaticContact CE1-CH2 3.69Å; F91-W165 HydrophobicContact CE1-CH2 3.69Å; F91-W165 HydrophobicContact CE1-CZ2 4.15Å; F91-W165 AromaticContact CE2-CH2 3.94Å; F91-W165 HydrophobicContact CE2-CH2 3.94Å; F91-W165 AromaticContact CE2-CZ3 3.97Å; F91-W165 HydrophobicContact CE2-CZ3 3.97Å; F91-W165 AromaticContact CZ-CH2 3.11Å; F91-W165 HydrophobicContact CZ-CH2 3.11Å; F91-W165 AromaticContact CZ-CZ2 3.81Å; F91-W165 HydrophobicContact CZ-CZ2 3.81Å; F91-W165 AromaticContact CZ-CZ3 3.55Å; F91-W165 HydrophobicContact CZ-CZ3 3.55Å; F91-V169 HydrophobicContact CE2-CG1 4.43Å; F91-V169 HydrophobicContact CZ-CG1 4.28Å; F91-L275 HydrophobicContact CE1-CD2 4.41Å |
| 92 | S | 86.1 | Confident | 92.3 | Very high | 5 Ų | 5 | 36.6 Ų | 36.6 | 4% | 0.035 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.9 | -27.3 | 177.5 | 78.3 | 0 | 0 | 0 | 0 | 112.9 | A88 R89 V90 I94 R158 | A88-S92 PolarHBondContact O-N 3Å; R89-S92 PolarHBondContact O-OG 2.8Å; V90-S92 PolarHBondContact O-N 3.33Å; S92-I94 VanDerWaalsContact C-N 3.31Å; S92-I94 PolarHBondContact O-N 3.08Å; S92-R158 PolarHBondContact O-NH1 3.07Å |
| 93 | H | 87.6 | Confident | 92 | Very high | 66 Ų | 66 | 39.6 Ų | 39.6 | 31% | 0.306 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -11.8 | 178.2 | -65.5 | -84.3 | 0 | 0 | 0 | 114.9 | Q66 F69 R89 V90 F91 N95 | Q66-H93 HydrophobicContact CG-CB 4.17Å; F69-H93 HydrophobicContact CE2-CB 4.36Å; R89-H93 PolarHBondContact O-CD2 3.11Å; R89-H93 VanDerWaalsContact O-CD2 3.3Å; V90-H93 WeakPolarHBondContact O-CB 3.47Å; V90-H93 PolarHBondContact O-CD2 3.22Å; V90-H93 PolarHBondContact O-N 3.06Å; V90-H93 VanDerWaalsContact O-N 3.15Å; F91-H93 PolarHBondContact O-N 3.17Å; H93-N95 PolarHBondContact O-N 2.74Å |
| 94 | I | 88.4 | Confident | 91.7 | Very high | 10 Ų | 10 | 46.7 Ų | 46.7 | 5% | 0.051 | 23% | 0.226 | C | C | . | . | trans | -76.1 | 110.2 | 176.3 | -57.9 | -179.9 | 0 | 0 | 0 | 108.9 | F69 F91 S92 L98 L99 W165 | F69-I94 HydrophobicContact CE1-CD1 4Å; F69-I94 HydrophobicContact CE1-CG1 4.22Å; F69-I94 HydrophobicContact CE2-CG1 4.1Å; F69-I94 HydrophobicContact CZ-CD1 3.9Å; F69-I94 HydrophobicContact CZ-CG1 3.73Å; F91-I94 HydrophobicContact CD2-CD1 3.72Å; F91-I94 HydrophobicContact CE2-CD1 3.87Å; F91-I94 HydrophobicContact CG-CD1 4.44Å; F91-I94 WeakPolarHBondContact O-CB 3.44Å; F91-I94 PolarHBondContact O-N 3.46Å; S92-I94 VanDerWaalsContact C-N 3.31Å; S92-I94 PolarHBondContact O-N 3.08Å; I94-L98 HydrophobicContact CG1-CD2 4.43Å; I94-L99 HydrophobicContact CG2-CB 4.04Å; I94-W165 HydrophobicContact CG2-CH2 3.98Å; I94-W165 HydrophobicContact CG2-CZ3 4.03Å | ||
| 95 | N | 87.5 | Confident | 91.6 | Very high | 66 Ų | 66 | 49.5 Ų | 49.5 | 35% | 0.353 | 24% | 0.238 | S | C | . | . | trans | -106.3 | 177.6 | 171.3 | 64.7 | 4.6 | 0 | 0 | 0 | 110.4 | H93 E97 L98 L99 | H93-N95 PolarHBondContact O-N 2.74Å; N95-E97 VanDerWaalsContact C-N 3.33Å; N95-E97 PolarHBondContact O-N 3.24Å; N95-E97 PolarHBondContact OD1-N 3.03Å; N95-L98 PolarHBondContact O-N 3.13Å; N95-L98 WeakPolarHBondContact OD1-CB 3.48Å; N95-L98 PolarHBondContact OD1-N 3.27Å; N95-L99 WeakPolarHBondContact O-CB 3.42Å; N95-L99 PolarHBondContact O-N 3.01Å | ||
| 96 | S | 88 | Confident | 91.5 | Very high | 68 Ų | 68 | 50.1 Ų | 50.1 | 48% | 0.476 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -53 | -47.2 | 178.3 | 52.3 | 0 | 0 | 0 | 0 | 112.8 | L99 E100 | S96-L99 PolarHBondContact O-N 2.85Å; S96-E100 WeakPolarHBondContact O-CG 3.32Å; S96-E100 PolarHBondContact O-N 3.36Å |
| 97 | E | 91 | Very high | 91.5 | Very high | 110 Ų | 110 | 50.3 Ų | 50.3 | 51% | 0.514 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63 | -46 | -178.9 | -169.6 | -165.7 | 159.9 | 0 | 0 | 112.5 | N95 E100 K101 | N95-E97 VanDerWaalsContact C-N 3.33Å; N95-E97 PolarHBondContact O-N 3.24Å; N95-E97 PolarHBondContact OD1-N 3.03Å; E97-E100 PolarHBondContact O-N 3.45Å; E97-K101 WeakPolarHBondContact O-CG 3.48Å; E97-K101 PolarHBondContact O-N 3.08Å; E97-K101 WeakPolarHBondContact OE1-CE 3.24Å; E97-K101 IonicContact OE1-NZ 2.94Å; E97-K101 PolarHBondContact OE1-NZ 3.24Å |
| 98 | L | 91.7 | Very high | 91.6 | Very high | 27 Ų | 27 | 49.4 Ų | 49.4 | 14% | 0.141 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -68.2 | -39.1 | 178.1 | -179.1 | 57 | 0 | 0 | 0 | 111 | F69 L73 I94 N95 K101 L102 | F69-L98 HydrophobicContact CB-CD2 4.46Å; F69-L98 HydrophobicContact CD2-CD2 3.86Å; F69-L98 HydrophobicContact CE2-CD2 4.38Å; F69-L98 HydrophobicContact CG-CD2 4.28Å; L73-L98 HydrophobicContact CD1-CD1 4.04Å; I94-L98 HydrophobicContact CG1-CD2 4.43Å; N95-L98 PolarHBondContact O-N 3.13Å; N95-L98 WeakPolarHBondContact OD1-CB 3.48Å; N95-L98 PolarHBondContact OD1-N 3.27Å; L98-K101 PolarHBondContact O-N 3.08Å; L98-L102 HydrophobicContact CD1-CD1 4Å; L98-L102 HydrophobicContact CD1-CG 4.1Å; L98-L102 HydrophobicContact CD2-CD1 4.41Å; L98-L102 HydrophobicContact CG-CD1 3.78Å; L98-L102 HydrophobicContact CG-CG 4.34Å; L98-L102 WeakPolarHBondContact O-CB 3.46Å; L98-L102 WeakPolarHBondContact O-CG 3.41Å; L98-L102 PolarHBondContact O-N 2.77Å |
| 99 | L | 93.3 | Very high | 91.9 | Very high | 3 Ų | 3 | 49.3 Ų | 49.3 | 2% | 0.016 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.9 | -43.9 | 175.9 | 176.9 | 60.8 | 0 | 0 | 0 | 111.4 | I94 N95 S96 K101 L102 R103 L163 W165 | I94-L99 HydrophobicContact CG2-CB 4.04Å; N95-L99 WeakPolarHBondContact O-CB 3.42Å; N95-L99 PolarHBondContact O-N 3.01Å; S96-L99 PolarHBondContact O-N 2.85Å; L99-K101 VanDerWaalsContact C-N 3.34Å; L99-K101 PolarHBondContact O-N 3.16Å; L99-L102 PolarHBondContact O-N 3.22Å; L99-R103 WeakPolarHBondContact O-CB 3.37Å; L99-R103 PolarHBondContact O-N 2.97Å; L99-L163 HydrophobicContact CD2-CB 4.27Å; L99-L163 HydrophobicContact CD2-CD1 4.06Å; L99-W165 HydrophobicContact CD1-CD2 4.47Å; L99-W165 HydrophobicContact CD1-CE3 3.61Å; L99-W165 HydrophobicContact CD1-CZ3 3.84Å; L99-W165 HydrophobicContact CD2-CD2 3.97Å; L99-W165 HydrophobicContact CD2-CE3 3.87Å; L99-W165 HydrophobicContact CD2-CG 4.39Å; L99-W165 HydrophobicContact CD2-CZ3 4.21Å; L99-W165 HydrophobicContact CG-CE3 4.39Å |
| 100 | E | 93.1 | Very high | 92.2 | Very high | 136 Ų | 136 | 43.7 Ų | 43.7 | 64% | 0.636 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -58.8 | -44.5 | 175.6 | -77.4 | -171 | 154.5 | 0 | 0 | 112.1 | S96 E97 L102 R103 | S96-E100 WeakPolarHBondContact O-CG 3.32Å; S96-E100 PolarHBondContact O-N 3.36Å; E97-E100 PolarHBondContact O-N 3.45Å; E100-L102 PolarHBondContact O-N 2.85Å; E100-R103 PolarHBondContact O-N 3.23Å |
| 101 | K | 93.8 | Very high | 92.4 | Very high | 118 Ų | 118 | 43.4 Ų | 43.4 | 51% | 0.513 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -65 | -39.1 | 177.3 | -67.5 | 173.6 | -171.7 | 169.7 | 0 | 112.1 | L73 E97 L98 L99 | L73-K101 HydrophobicContact CD2-CB 3.78Å; L73-K101 WeakPolarHBondContact CD2-O 3.46Å; E97-K101 WeakPolarHBondContact O-CG 3.48Å; E97-K101 PolarHBondContact O-N 3.08Å; E97-K101 WeakPolarHBondContact OE1-CE 3.24Å; E97-K101 IonicContact OE1-NZ 2.94Å; E97-K101 PolarHBondContact OE1-NZ 3.24Å; L98-K101 PolarHBondContact O-N 3.08Å; L99-K101 VanDerWaalsContact C-N 3.34Å; L99-K101 PolarHBondContact O-N 3.16Å |
| 102 | L | 93.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -76.8 | -27.8 | -179 | -74.6 | 171 | 0 | 0 | 0 | 113.3 | F69 V72 L73 L98 L99 E100 N104 K105 L106 | F69-L102 HydrophobicContact CD1-CD1 4.39Å; V72-L102 HydrophobicContact CB-CD2 4.16Å; V72-L102 HydrophobicContact CG1-CD2 3.88Å; L73-L102 HydrophobicContact CD2-CD2 3.61Å; L73-L102 HydrophobicContact CD2-CG 3.96Å; L73-L102 HydrophobicContact CG-CD2 3.66Å; L73-L102 HydrophobicContact CG-CG 4.34Å; L98-L102 HydrophobicContact CD1-CD1 4Å; L98-L102 HydrophobicContact CD1-CG 4.1Å; L98-L102 HydrophobicContact CD2-CD1 4.41Å; L98-L102 HydrophobicContact CG-CD1 3.78Å; L98-L102 HydrophobicContact CG-CG 4.34Å; L98-L102 WeakPolarHBondContact O-CB 3.46Å; L98-L102 WeakPolarHBondContact O-CG 3.41Å; L98-L102 PolarHBondContact O-N 2.77Å; L99-L102 PolarHBondContact O-N 3.22Å; E100-L102 PolarHBondContact O-N 2.85Å; L102-N104 VanDerWaalsContact C-N 3.33Å; L102-N104 PolarHBondContact O-N 2.64Å; L102-N104 VanDerWaalsContact O-N 3.11Å; L102-K105 WeakPolarHBondContact O-CA 3.29Å; L102-K105 WeakPolarHBondContact O-CB 3.41Å; L102-K105 PolarHBondContact O-N 3.07Å; L102-L106 HydrophobicContact CB-CD1 3.72Å; L102-L106 HydrophobicContact CB-CG 4.07Å; L102-L106 HydrophobicContact CD1-CD1 4.47Å; L102-L106 WeakPolarHBondContact O-CG 3.29Å; L102-L106 PolarHBondContact O-N 2.93Å |
| 103 | R | 89.4 | Confident | 92.9 | Very high | 66 Ų | 66 | 44.3 Ų | 44.3 | 25% | 0.249 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -48.7 | -47.3 | -166.3 | -167 | -177.8 | -65.2 | -120.2 | -4.3 | 114.1 | L99 E100 K105 L106 D164 N166 | L99-R103 WeakPolarHBondContact O-CB 3.37Å; L99-R103 PolarHBondContact O-N 2.97Å; E100-R103 PolarHBondContact O-N 3.23Å; R103-K105 PolarHBondContact O-N 2.89Å; R103-L106 PolarHBondContact O-N 3.36Å; R103-D164 VanDerWaalsContact CZ-O 3.25Å; R103-D164 PolarHBondContact NH1-O 2.94Å; R103-D164 PolarHBondContact NH2-O 3.31Å; R103-N166 VanDerWaalsContact NH1-CB 3.25Å |
| 104 | N | 91.4 | Very high | 92.8 | Very high | 149 Ų | 149 | 45 Ų | 45 | 80% | 0.797 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -11.6 | -177.9 | -65.4 | -24.5 | 0 | 0 | 0 | 114 | L102 | L102-N104 VanDerWaalsContact C-N 3.33Å; L102-N104 PolarHBondContact O-N 2.64Å; L102-N104 VanDerWaalsContact O-N 3.11Å |
| 105 | K | 94.8 | Very high | 92.4 | Very high | 62 Ų | 62 | 46.4 Ų | 46.4 | 27% | 0.27 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | -7.1 | 177.7 | -61.8 | -61.9 | -167.6 | 170.6 | 0 | 112.5 | V72 D75 A80 P81 Y82 L102 R103 | V72-K105 HydrophobicContact CG1-CB 4.37Å; D75-K105 HydrophobicContact CB-CD 4.29Å; D75-K105 IonicContact OD2-NZ 3.56Å; D75-K105 PolarHBondContact OD2-NZ 2.83Å; A80-K105 HydrophobicContact CB-CB 4.49Å; A80-K105 HydrophobicContact CB-CD 3.76Å; P81-K105 CarbonylContact C-O 3.56Å; P81-K105 WeakPolarHBondContact CA-O 3.13Å; Y82-K105 PolarHBondContact N-O 2.92Å; L102-K105 WeakPolarHBondContact O-CA 3.29Å; L102-K105 WeakPolarHBondContact O-CB 3.41Å; L102-K105 PolarHBondContact O-N 3.07Å; R103-K105 PolarHBondContact O-N 2.89Å |
| 106 | L | 95.6 | Very high | 91.6 | Very high | 14 Ų | 14 | 49 Ų | 49 | 7% | 0.073 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 133.1 | -175.3 | -64.7 | -176.8 | 0 | 0 | 0 | 112.5 | V72 Y82 I84 L102 R103 I167 | V72-L106 HydrophobicContact CG1-CD2 4.09Å; Y82-L106 CarbonylContact O-C 3.54Å; Y82-L106 WeakPolarHBondContact O-CA 3.39Å; I84-L106 HydrophobicContact CD1-CD1 4.33Å; I84-L106 HydrophobicContact CD1-CD2 3.48Å; I84-L106 VanDerWaalsContact CD1-CD2 3.48Å; I84-L106 HydrophobicContact CG1-CD2 3.62Å; L102-L106 HydrophobicContact CB-CD1 3.72Å; L102-L106 HydrophobicContact CB-CG 4.07Å; L102-L106 HydrophobicContact CD1-CD1 4.47Å; L102-L106 WeakPolarHBondContact O-CG 3.29Å; L102-L106 PolarHBondContact O-N 2.93Å; R103-L106 PolarHBondContact O-N 3.36Å; L106-I167 HydrophobicContact CB-CD1 3.94Å; L106-I167 HydrophobicContact CD1-CD1 3.74Å |
| 107 | A | 97 | Very high | 90.2 | Very high | 5 Ų | 5 | 47.2 Ų | 47.2 | 4% | 0.041 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | -29 | 161.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | N56 V57 P81 Y82 V83 P168 | N56-A107 HydrophobicContact CB-CB 4.22Å; N56-A107 WeakPolarHBondContact CB-O 3.23Å; N56-A107 PolarHBondContact ND2-O 3.43Å; V57-A107 VanDerWaalsContact C-CB 3.5Å; V57-A107 VanDerWaalsContact O-CB 3.29Å; V57-A107 WeakPolarHBondContact O-CB 3.25Å; P81-A107 HydrophobicContact CB-CB 3.9Å; P81-A107 HydrophobicContact CG-CB 4.18Å; Y82-A107 PolarHBondContact O-N 2.84Å; V83-A107 HydrophobicContact CG2-CB 3.95Å; A107-P168 VanDerWaalsContact O-CD 3.27Å; A107-P168 WeakPolarHBondContact O-CD 3.46Å |
| 108 | G | 97.2 | Very high | 88.4 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 172.5 | -177.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | V83 I84 P168 | V83-G108 WeakPolarHBondContact CA-O 3.48Å; I84-G108 PolarHBondContact N-O 3.39Å; I84-G108 VanDerWaalsContact N-O 3.12Å; G108-P168 CarbonylContact C-O 3.54Å; G108-P168 WeakPolarHBondContact CA-O 3.31Å |
| 109 | A | 97.1 | Very high | 86.9 | Confident | 3 Ų | 3 | 47.5 Ų | 47.5 | 3% | 0.025 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 148.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | I84 F91 P168 V169 Y170 | I84-A109 CarbonylContact O-C 3.57Å; I84-A109 VanDerWaalsContact O-CA 3.28Å; I84-A109 WeakPolarHBondContact O-CA 3.06Å; F91-A109 HydrophobicContact CE2-CB 4.3Å; A109-P168 PolarHBondContact N-O 3.33Å; A109-V169 HydrophobicContact CB-CG1 4.22Å; A109-V169 HydrophobicContact CB-CG2 4.26Å; A109-V169 CarbonylContact O-C 3.52Å; A109-V169 VanDerWaalsContact O-CA 3.27Å; A109-V169 WeakPolarHBondContact O-CA 3.47Å; A109-Y170 PolarHBondContact O-N 2.9Å |
| 110 | I | 97.7 | Very high | 85.3 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 115.9 | 174.2 | -59 | 173 | 0 | 0 | 0 | 106.8 | V83 I84 V85 A86 Y170 L172 I181 L207 M652 | V83-I110 HydrophobicContact CG1-CD1 3.91Å; V83-I110 HydrophobicContact CG1-CG1 3.99Å; I84-I110 PolarHBondContact O-N 3.38Å; V85-I110 CarbonylContact C-O 3.48Å; V85-I110 VanDerWaalsContact CA-O 3.3Å; V85-I110 WeakPolarHBondContact CA-O 3.4Å; V85-I110 HydrophobicContact CG1-CB 4.46Å; V85-I110 HydrophobicContact CG1-CG2 4.47Å; V85-I110 HydrophobicContact CG2-CB 4.22Å; V85-I110 HydrophobicContact CG2-CD1 4.23Å; A86-I110 PolarHBondContact N-O 3.06Å; I110-Y170 CarbonylContact C-O 3.57Å; I110-Y170 WeakPolarHBondContact CA-O 3.38Å; I110-L172 HydrophobicContact CG2-CB 4.4Å; I110-L172 HydrophobicContact CG2-CD1 3.41Å; I110-L172 VanDerWaalsContact CG2-CD1 3.41Å; I110-L172 HydrophobicContact CG2-CG 3.8Å; I110-I181 HydrophobicContact CD1-CD1 4.22Å; I110-I181 HydrophobicContact CG2-CD1 4.44Å; I110-L207 HydrophobicContact CD1-CD2 4.17Å; I110-L207 HydrophobicContact CG1-CD1 4.15Å; I110-L207 HydrophobicContact CG1-CD2 4.28Å; I110-M652 HydrophobicContact CD1-SD 3.5Å; I110-M652 VanDerWaalsContact CD1-SD 3.5Å; I110-M652 HydrophobicContact CG1-SD 4Å |
| 111 | I | 96.1 | Very high | 84.1 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 139.7 | 174.5 | -45.7 | -179.5 | 0 | 0 | 0 | 107.6 | A86 A88 F91 V169 Y170 L171 L172 L275 F276 F455 | A86-I111 WeakPolarHBondContact O-CA 3.44Å; A88-I111 HydrophobicContact CB-CG2 4.18Å; F91-I111 HydrophobicContact CB-CG1 4.45Å; F91-I111 HydrophobicContact CB-CG2 4.18Å; F91-I111 HydrophobicContact CD1-CD1 3.42Å; F91-I111 VanDerWaalsContact CD1-CD1 3.42Å; F91-I111 HydrophobicContact CD1-CG1 4.15Å; F91-I111 HydrophobicContact CD2-CD1 3.73Å; F91-I111 HydrophobicContact CD2-CG1 3.58Å; F91-I111 HydrophobicContact CE1-CD1 3.27Å; F91-I111 HydrophobicContact CE1-CG1 4.23Å; F91-I111 HydrophobicContact CE2-CD1 3.59Å; F91-I111 HydrophobicContact CE2-CG1 3.67Å; F91-I111 HydrophobicContact CG-CD1 3.62Å; F91-I111 HydrophobicContact CG-CG1 3.8Å; F91-I111 HydrophobicContact CG-CG2 4.33Å; F91-I111 HydrophobicContact CZ-CD1 3.33Å; F91-I111 HydrophobicContact CZ-CG1 3.97Å; I111-V169 HydrophobicContact CD1-CG1 4.03Å; I111-V169 HydrophobicContact CG1-CG1 4.09Å; I111-Y170 PolarHBondContact N-O 3.29Å; I111-L171 HydrophobicContact CB-CD1 4.1Å; I111-L171 HydrophobicContact CG2-CD1 4.17Å; I111-L171 CarbonylContact O-C 3.58Å; I111-L171 WeakPolarHBondContact O-CA 3.44Å; I111-L172 PolarHBondContact O-N 3.49Å; I111-L275 HydrophobicContact CD1-CD2 4.42Å; I111-F276 HydrophobicContact CD1-CE2 3.93Å; I111-F276 HydrophobicContact CD1-CZ 3.58Å; I111-F276 HydrophobicContact CG1-CZ 4.27Å; I111-F455 HydrophobicContact CG2-CZ 4.18Å |
| 112 | Y | 94.8 | Very high | 83.4 | Confident | 21 Ų | 21 | 48.2 Ų | 48.2 | 8% | 0.082 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 156.2 | 170.6 | 71.6 | -88.2 | 0 | 0 | 0 | 112.4 | W62 V85 A86 H87 A88 L172 I178 T182 | W62-Y112 AromaticContact NE1-CE1 3.74Å; W62-Y112 AromaticContact NE1-CZ 3.71Å; W62-Y112 PolarHBondContact NE1-OH 2.65Å; V85-Y112 HydrophobicContact CG1-CD1 3.91Å; V85-Y112 HydrophobicContact CG1-CE1 4Å; A86-Y112 WeakPolarHBondContact O-CD1 3.35Å; A86-Y112 PolarHBondContact O-N 2.79Å; H87-Y112 CarbonylContact C-O 3.57Å; H87-Y112 VanDerWaalsContact CA-O 3.28Å; H87-Y112 WeakPolarHBondContact CA-O 3.49Å; H87-Y112 HydrophobicContact CB-CE1 4.22Å; H87-Y112 HydrophobicContact CB-CE2 3.98Å; H87-Y112 AromaticContact CD2-CD2 3.97Å; H87-Y112 AromaticContact CD2-CE2 3.67Å; H87-Y112 PolarHBondContact CD2-O 3.5Å; H87-Y112 VanDerWaalsContact N-CE1 3.29Å; A88-Y112 PolarHBondContact N-O 2.95Å; Y112-L172 VanDerWaalsContact CA-O 3.25Å; Y112-L172 WeakPolarHBondContact CA-O 3.46Å; Y112-L172 WeakPolarHBondContact CB-O 3.48Å; Y112-I178 HydrophobicContact CD1-CG2 4.47Å; Y112-I178 HydrophobicContact CD2-CD1 4.06Å; Y112-I178 HydrophobicContact CD2-CG1 4.33Å; Y112-I178 HydrophobicContact CD2-CG2 3.6Å; Y112-I178 HydrophobicContact CE2-CG2 3.91Å; Y112-I178 HydrophobicContact CG-CD1 4.24Å; Y112-I178 HydrophobicContact CG-CG1 4.18Å; Y112-I178 HydrophobicContact CG-CG2 3.9Å; Y112-T182 HydrophobicContact CE1-CG2 4.46Å |
| 113 | F | 91.8 | Very high | 83 | Confident | 6 Ų | 6 | 51 Ų | 51 | 3% | 0.026 | 29% | 0.286 | C | S | . | . | trans | -159.4 | 161.2 | 171.7 | 74.7 | -74.4 | 0 | 0 | 0 | 109.9 | A88 E115 L171 L172 V173 Y279 F455 L456 L458 | A88-F113 HydrophobicContact CB-CB 4.01Å; F113-E115 HydrophobicContact CE2-CB 4.41Å; F113-L171 HydrophobicContact CD1-CD1 3.77Å; F113-L171 HydrophobicContact CE1-CD1 3.76Å; F113-L171 HydrophobicContact CE1-CD2 4.01Å; F113-L171 HydrophobicContact CE1-CG 4.1Å; F113-L172 PolarHBondContact N-O 3.2Å; F113-V173 HydrophobicContact CD1-CG1 4.27Å; F113-V173 HydrophobicContact CE1-CG1 3.58Å; F113-V173 HydrophobicContact CZ-CG1 3.96Å; F113-Y279 HydrophobicContact CE1-CE1 4.46Å; F113-Y279 AromaticContact CZ-CE1 3.96Å; F113-Y279 HydrophobicContact CZ-CE1 3.96Å; F113-Y279 AromaticContact CZ-CZ 3.74Å; F113-Y279 WeakPolarHBondContact CZ-OH 3.41Å; F113-F455 AromaticContact CD1-CD2 3.95Å; F113-F455 HydrophobicContact CD1-CD2 3.95Å; F113-F455 AromaticContact CD1-CE2 3.85Å; F113-F455 HydrophobicContact CD1-CE2 3.85Å; F113-F455 AromaticContact CE1-CD2 3.62Å; F113-F455 HydrophobicContact CE1-CD2 3.62Å; F113-F455 HydrophobicContact CE1-CE2 4.02Å; F113-F455 HydrophobicContact CG-CE2 4.41Å; F113-F455 HydrophobicContact CZ-CD2 4.09Å; F113-L456 HydrophobicContact CD2-CD2 3.79Å; F113-L456 HydrophobicContact CE2-CD2 3.99Å; F113-L456 HydrophobicContact CG-CD2 4.06Å; F113-L456 HydrophobicContact CZ-CD2 4.43Å; F113-L458 HydrophobicContact CE2-CD1 4.1Å | ||
| 114 | E | 86.3 | Confident | 83.1 | Confident | 80 Ų | 80 | 50.6 Ų | 50.6 | 37% | 0.374 | 29% | 0.293 | S | S | . | . | trans | -89.5 | 114.1 | 176.6 | -57.2 | 81.4 | -170.5 | 0 | 0 | 111.3 | H87 S116 G117 | H87-E114 IonicContact CD2-OE2 3.61Å; H87-E114 IonicContact NE2-OE2 2.83Å; H87-E114 PolarHBondContact NE2-OE2 3.13Å; E114-S116 VanDerWaalsContact C-N 3.25Å; E114-S116 PolarHBondContact O-N 2.64Å; E114-G117 PolarHBondContact O-N 2.94Å | ||
| 115 | E | 80.3 | Confident | 83.1 | Confident | 41 Ų | 41 | 43.8 Ų | 43.8 | 19% | 0.192 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -28 | -179 | -170.5 | 166.2 | -137.1 | 0 | 0 | 112.9 | F113 Y279 W513 R545 | F113-E115 HydrophobicContact CE2-CB 4.41Å; E115-Y279 PolarHBondContact OE1-OH 3.32Å; E115-W513 VanDerWaalsContact OE1-CZ3 3.29Å; E115-W513 WeakPolarHBondContact OE1-CZ3 3.32Å; E115-R545 IonicContact OE1-NE 3.02Å; E115-R545 PolarHBondContact OE1-NE 3.42Å; E115-R545 IonicContact OE1-NH2 3.94Å; E115-R545 IonicContact OE2-CZ 2.83Å; E115-R545 IonicContact OE2-NE 3.21Å; E115-R545 IonicContact OE2-NH2 2.81Å; E115-R545 PolarHBondContact OE2-NH2 3.39Å |
| 116 | S | 70.6 | Confident | 83.1 | Confident | 120 Ų | 120 | 40.9 Ų | 40.9 | 84% | 0.839 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87 | -5.1 | 178.9 | 56.7 | 0 | 0 | 0 | 0 | 114.5 | E114 | E114-S116 VanDerWaalsContact C-N 3.25Å; E114-S116 PolarHBondContact O-N 2.64Å |
| 117 | G | 57.7 | Low | 83 | Confident | 30 Ų | 30 | 40.2 Ų | 40.2 | 31% | 0.309 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -76.9 | 140.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | E114 S119 | E114-G117 PolarHBondContact O-N 2.94Å; G117-S119 PolarHBondContact O-N 2.87Å; G117-S119 VanDerWaalsContact O-N 3.15Å |
| 118 | T | 54.5 | Low | 83 | Confident | 111 Ų | 111 | 40 Ų | 40 | 68% | 0.681 | 24% | 0.239 | S | C | * | . | trans | -61.6 | 117.6 | 164.5 | 47.9 | 0 | 0 | 0 | 0 | 108.4 | T120 | T118-T120 PolarHBondContact O-N 2.91Å; T118-T120 PolarHBondContact O-OG1 3.43Å | ||
| 119 | S | 59 | Low | 82.8 | Confident | 33 Ų | 33 | 43.3 Ų | 43.3 | 23% | 0.231 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -63 | 4.8 | -174.6 | 75.4 | 0 | 0 | 0 | 0 | 115.4 | G117 E121 V122 F451 | G117-S119 PolarHBondContact O-N 2.87Å; G117-S119 VanDerWaalsContact O-N 3.15Å; S119-E121 PolarHBondContact O-N 3.14Å; S119-V122 PolarHBondContact O-N 2.96Å; S119-V122 VanDerWaalsContact O-N 3.09Å; S119-F451 WeakPolarHBondContact OG-CE2 3.31Å |
| 120 | T | 60.8 | Low | 82.6 | Confident | 100 Ų | 100 | 47.6 Ų | 47.6 | 61% | 0.613 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -58.1 | -29.3 | -179.6 | 50.1 | 0 | 0 | 0 | 0 | 112.6 | T118 | T118-T120 PolarHBondContact O-N 2.91Å; T118-T120 PolarHBondContact O-OG1 3.43Å |
| 121 | E | 68.1 | Low | 82.4 | Confident | 157 Ų | 157 | 48.6 Ų | 48.6 | 73% | 0.734 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -79 | -18.4 | 178.7 | -64 | -165.1 | 176.2 | 0 | 0 | 114.5 | S119 | S119-E121 PolarHBondContact O-N 3.14Š|
| 122 | V | 77.7 | Confident | 82.4 | Confident | 14 Ų | 14 | 48.7 Ų | 48.7 | 9% | 0.085 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -92.3 | 123.7 | -177.1 | -170.1 | 0 | 0 | 0 | 0 | 109.5 | S119 R450 F451 L456 | S119-V122 PolarHBondContact O-N 2.96Å; S119-V122 VanDerWaalsContact O-N 3.09Å; V122-R450 PolarHBondContact O-NH2 3.35Å; V122-F451 HydrophobicContact CB-CE1 4.33Å; V122-F451 HydrophobicContact CB-CZ 4.3Å; V122-F451 HydrophobicContact CG1-CE1 4.23Å; V122-L456 HydrophobicContact CG1-CD1 3.69Å |
| 123 | P | 86.4 | Confident | 82.3 | Confident | 58 Ų | 58 | 48.4 Ų | 48.4 | 38% | 0.377 | 28% | 0.282 | S | S | . | . | P | Polyproline II helix | trans | -58.9 | 151.9 | 175.8 | 26.1 | -34.4 | 0 | 0 | 0 | 110.7 | Y125 F451 | P123-Y125 PolarHBondContact O-N 2.88Å; P123-F451 WeakPolarHBondContact O-CE1 3.29Å |
| 124 | S | 90 | Very high | 82.4 | Confident | 58 Ų | 58 | 49 Ų | 49 | 41% | 0.406 | 29% | 0.288 | S | S | . | . | P | Polyproline II helix | trans | -53.3 | 131.4 | 176.6 | -53.5 | 0 | 0 | 0 | 0 | 110.6 | R450 | S124-R450 CarbonylContact C-O 3.21Å; S124-R450 WeakPolarHBondContact CA-O 3.32Å; S124-R450 WeakPolarHBondContact OG-CG 3.36Å; S124-R450 PolarHBondContact OG-NE 2.85Å |
| 125 | Y | 91.3 | Very high | 82.6 | Confident | 7 Ų | 7 | 50 Ų | 50 | 3% | 0.027 | 30% | 0.299 | C | S | . | . | trans | -151.9 | 127.5 | -171 | 172.1 | -104.6 | 0 | 0 | 0 | 109.7 | P123 E127 S160 R450 F451 F455 L456 | P123-Y125 PolarHBondContact O-N 2.88Å; Y125-E127 HydrophobicContact CD1-CG 4.37Å; Y125-E127 HydrophobicContact CE1-CG 3.47Å; Y125-E127 VanDerWaalsContact CE1-CG 3.47Å; Y125-E127 PolarHBondContact OH-OE1 3.25Å; Y125-S160 PolarHBondContact OH-OG 3.1Å; Y125-R450 PolarHBondContact N-O 2.65Å; Y125-F451 WeakPolarHBondContact O-CA 3.34Å; Y125-F455 AromaticContact CE1-CE1 3.87Å; Y125-F455 HydrophobicContact CE1-CE1 3.87Å; Y125-F455 HydrophobicContact CE1-CZ 4.31Å; Y125-L456 HydrophobicContact CD1-CD1 4.18Å | ||
| 126 | S | 94.5 | Very high | 83.2 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | B | Isolated β-bridge | trans | -129.6 | 139.9 | 173.2 | 171.7 | 0 | 0 | 0 | 0 | 110 | D128 N154 P156 R158 Y452 | S126-D128 VanDerWaalsContact C-N 3.33Å; S126-D128 PolarHBondContact OG-N 2.75Å; S126-N154 WeakPolarHBondContact CB-ND2 3.32Å; S126-N154 WeakPolarHBondContact CB-OD1 3.47Å; S126-N154 PolarHBondContact OG-ND2 3.33Å; S126-P156 PolarHBondContact N-O 3.4Å; S126-R158 PolarHBondContact O-N 3.04Å; S126-R158 VanDerWaalsContact O-N 3.15Å; S126-Y452 WeakPolarHBondContact CB-O 3.34Å; S126-Y452 PolarHBondContact OG-O 3.08Å |
| 127 | E | 95.2 | Very high | 84.3 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -87 | -14.1 | -178.6 | -49.2 | -169 | 120.2 | 0 | 0 | 112.3 | Y125 G159 S160 R161 S274 L275 N453 F455 | Y125-E127 HydrophobicContact CD1-CG 4.37Å; Y125-E127 HydrophobicContact CE1-CG 3.47Å; Y125-E127 VanDerWaalsContact CE1-CG 3.47Å; Y125-E127 PolarHBondContact OH-OE1 3.25Å; E127-G159 CarbonylContact O-C 3.56Å; E127-G159 WeakPolarHBondContact O-CA 3.48Å; E127-S160 VanDerWaalsContact CA-OG 3.3Å; E127-S160 WeakPolarHBondContact CA-OG 3.27Å; E127-S160 WeakPolarHBondContact CB-OG 3.38Å; E127-S160 PolarHBondContact O-N 3.46Å; E127-S160 VanDerWaalsContact O-N 3.11Å; E127-R161 HydrophobicContact CB-CB 4.3Å; E127-R161 VanDerWaalsContact O-CB 3.31Å; E127-R161 WeakPolarHBondContact O-CB 3.24Å; E127-R161 PolarHBondContact O-N 2.88Å; E127-S274 VanDerWaalsContact OE2-CA 3.27Å; E127-S274 WeakPolarHBondContact OE2-CA 3.38Å; E127-S274 PolarHBondContact OE2-OG 3.41Å; E127-L275 WeakPolarHBondContact OE1-CB 3.4Å; E127-L275 PolarHBondContact OE2-N 3.26Å; E127-N453 WeakPolarHBondContact CB-O 3.33Å; E127-N453 PolarHBondContact N-O 3.44Å; E127-F455 WeakPolarHBondContact OE1-CD1 3.43Å; E127-F455 WeakPolarHBondContact OE1-CE1 3.47Å; E127-F455 PolarHBondContact OE2-N 3.28Å |
| 128 | D | 95.2 | Very high | 86 | Confident | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.011 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -78.2 | 168 | 171.1 | -151.1 | -32.6 | 0 | 0 | 0 | 110.8 | S126 G157 R158 G159 F162 L273 Y452 N453 | S126-D128 VanDerWaalsContact C-N 3.33Å; S126-D128 PolarHBondContact OG-N 2.75Å; D128-G157 CarbonylContact O-C 3.59Å; D128-G157 WeakPolarHBondContact O-CA 3.38Å; D128-R158 PolarHBondContact O-N 2.87Å; D128-R158 VanDerWaalsContact O-N 3.13Å; D128-G159 PolarHBondContact O-N 3.22Å; D128-F162 WeakPolarHBondContact OD1-CE2 3.37Å; D128-L273 HydrophobicContact CB-CD1 4.36Å; D128-Y452 HydrophobicContact CB-CD1 4.34Å; D128-Y452 HydrophobicContact CB-CE1 4.28Å; D128-N453 HydrophobicContact CB-CB 3.9Å; D128-N453 PolarHBondContact OD2-ND2 3.26Å |
| 129 | D | 93.4 | Very high | 87.9 | Confident | 69 Ų | 69 | 38.9 Ų | 38.9 | 37% | 0.369 | 22% | 0.219 | S | C | . | . | trans | -70.6 | 162.3 | 173.9 | -75.3 | -33.2 | 0 | 0 | 0 | 111.3 | C131 N154 G159 | D129-C131 PolarHBondContact O-N 3.43Å; D129-C131 VanDerWaalsContact O-N 3.12Å; D129-N154 WeakPolarHBondContact O-CB 3.16Å; D129-N154 PolarHBondContact O-ND2 2.8Å; D129-G159 WeakPolarHBondContact OD1-CA 3.48Å | ||
| 130 | K | 93.4 | Very high | 89.5 | Confident | 93 Ų | 93 | 39.2 Ų | 39.2 | 40% | 0.404 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -56.7 | -25.1 | 169.1 | -69.2 | 174.3 | 159.7 | -124.4 | 0 | 113.1 | E152 N154 G157 | K130-E152 HydrophobicContact CB-CG 3.91Å; K130-E152 HydrophobicContact CD-CG 4.49Å; K130-E152 HydrophobicContact CG-CG 4.44Å; K130-E152 IonicContact NZ-OE1 3.97Å; K130-E152 PolarHBondContact NZ-OE1 3.3Å; K130-E152 IonicContact NZ-OE2 3.38Å; K130-E152 PolarHBondContact NZ-OE2 2.99Å; K130-N154 WeakPolarHBondContact CA-O 3.32Å; K130-N154 PolarHBondContact O-N 2.86Å; K130-N154 VanDerWaalsContact O-N 3.12Å; K130-G157 VanDerWaalsContact CG-O 3.26Å; K130-G157 WeakPolarHBondContact CG-O 3.44Å |
| 131 | C | 94.4 | Very high | 90.8 | Very high | 20 Ų | 20 | 43.2 Ų | 43.2 | 14% | 0.135 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -129.7 | 74.5 | -175 | -69.9 | 0 | 0 | 0 | 0 | 111.1 | D129 S133 S134 C148 | D129-C131 PolarHBondContact O-N 3.43Å; D129-C131 VanDerWaalsContact O-N 3.12Å; C131-S133 PolarHBondContact O-N 2.91Å; C131-S134 WeakPolarHBondContact O-CB 3.36Å; C131-S134 PolarHBondContact O-N 3.46Å; C131-S134 PolarHBondContact O-OG 3.45Å; C131-C148 WeakPolarHBondContact CA-SG 3.01Å; C131-C148 HydrophobicContact CB-CB 4.19Å; C131-C148 WeakPolarHBondContact CB-SG 3.4Å; C131-C148 WeakPolarHBondContact SG-CB 3.42Å; C131-C148 CovalentContact SG-SG 2.01Å; C131-C148 PolarHBondContact SG-SG 3.37Å |
| 132 | P | 95.1 | Very high | 92 | Very high | 3 Ų | 3 | 38.1 Ų | 38.1 | 2% | 0.019 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | 131 | -175.5 | -25.1 | 34.8 | 0 | 0 | 0 | 111.7 | S134 N154 P422 F447 Y452 | P132-S134 PolarHBondContact O-N 2.99Å; P132-N154 HydrophobicContact CG-CB 4.18Å; P132-P422 HydrophobicContact CB-CG 4.34Å; P132-F447 HydrophobicContact CG-CE2 4.15Å; P132-F447 HydrophobicContact CG-CZ 4.45Å; P132-Y452 HydrophobicContact CB-CE1 4.39Å; P132-Y452 HydrophobicContact CG-CE1 3.83Å |
| 133 | S | 93.4 | Very high | 92.6 | Very high | 14 Ų | 14 | 42.4 Ų | 42.4 | 10% | 0.098 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 21.2 | 176.8 | -58 | 0 | 0 | 0 | 0 | 116.1 | C131 T135 H136 D137 D328 | C131-S133 PolarHBondContact O-N 2.91Å; S133-T135 PolarHBondContact O-N 3.01Å; S133-T135 VanDerWaalsContact O-N 3.13Å; S133-H136 CarbonylContact O-C 3.54Å; S133-H136 PolarHBondContact O-N 3.22Å; S133-D137 PolarHBondContact O-N 2.9Å; S133-D137 VanDerWaalsContact O-N 3.07Å; S133-D328 WeakPolarHBondContact CA-OD1 3.24Å; S133-D328 PolarHBondContact OG-N 3.02Å |
| 134 | S | 92.5 | Very high | 92.8 | Very high | 20 Ų | 20 | 42.7 Ų | 42.7 | 14% | 0.14 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -20 | -174.4 | 56.8 | 0 | 0 | 0 | 0 | 115.1 | C131 P132 H136 A140 | C131-S134 WeakPolarHBondContact O-CB 3.36Å; C131-S134 PolarHBondContact O-N 3.46Å; C131-S134 PolarHBondContact O-OG 3.45Å; P132-S134 PolarHBondContact O-N 2.99Å; S134-H136 PolarHBondContact O-N 3.33Å; S134-A140 WeakPolarHBondContact O-CB 3.17Å |
| 135 | T | 90.3 | Very high | 92.9 | Very high | 100 Ų | 100 | 41.6 Ų | 41.6 | 61% | 0.613 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -17.4 | 174.2 | 54.9 | 0 | 0 | 0 | 0 | 112.7 | S133 A140 | S133-T135 PolarHBondContact O-N 3.01Å; S133-T135 VanDerWaalsContact O-N 3.13Å; T135-A140 WeakPolarHBondContact O-CB 3.22Å |
| 136 | H | 93 | Very high | 92.7 | Very high | 30 Ų | 30 | 41.4 Ų | 41.4 | 14% | 0.139 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -126.1 | 18.3 | -178.2 | -58.4 | 90.6 | 0 | 0 | 0 | 112 | S133 S134 D328 Y329 K430 | S133-H136 CarbonylContact O-C 3.54Å; S133-H136 PolarHBondContact O-N 3.22Å; S134-H136 PolarHBondContact O-N 3.33Å; H136-D328 HydrophobicContact CB-CB 3.79Å; H136-D328 IonicContact CE1-OD1 2.65Å; H136-D328 IonicContact CE1-OD2 2.77Å; H136-D328 PolarHBondContact CE1-OD2 3.11Å; H136-D328 IonicContact CG-OD1 2.76Å; H136-D328 WeakPolarHBondContact ND1-CB 3.39Å; H136-D328 IonicContact ND1-OD1 3.22Å; H136-D328 PolarHBondContact ND1-OD1 2.95Å; H136-D328 IonicContact ND1-OD2 3.74Å; H136-D328 PolarHBondContact ND1-OD2 2.96Å; H136-D328 VanDerWaalsContact ND1-OD2 3.12Å; H136-Y329 HydrophobicContact CB-CD2 4.28Å; H136-Y329 VanDerWaalsContact O-CD2 3.25Å; H136-Y329 WeakPolarHBondContact O-CD2 3.39Å; H136-Y329 VanDerWaalsContact O-CE2 3.29Å; H136-Y329 WeakPolarHBondContact O-CE2 3.43Å; H136-K430 WeakPolarHBondContact O-CE 3.27Å; H136-K430 PolarHBondContact O-NZ 3.34Å |
| 137 | D | 93.7 | Very high | 92.3 | Very high | 19 Ų | 19 | 47.9 Ų | 47.9 | 10% | 0.102 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -84.4 | -178.1 | 171.1 | 72.8 | 17.5 | 0 | 0 | 0 | 111.3 | S133 Y139 A140 Y329 K430 | S133-D137 PolarHBondContact O-N 2.9Å; S133-D137 VanDerWaalsContact O-N 3.07Å; D137-Y139 PolarHBondContact O-N 2.7Å; D137-Y139 VanDerWaalsContact OD1-CA 3.25Å; D137-Y139 WeakPolarHBondContact OD1-CA 3.22Å; D137-Y139 PolarHBondContact OD1-N 3.17Å; D137-A140 PolarHBondContact OD1-N 3.09Å; D137-Y329 HydrophobicContact CB-CE2 4.11Å; D137-K430 WeakPolarHBondContact O-CE 3.36Å |
| 138 | L | 94.8 | Very high | 91.9 | Very high | 18 Ų | 18 | 48.7 Ų | 48.7 | 9% | 0.094 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -26.3 | 176 | 179.8 | 62.1 | 0 | 0 | 0 | 113.2 | H426 L429 K430 | L138-H426 HydrophobicContact CB-CB 4.37Å; L138-H426 WeakPolarHBondContact CB-ND1 3.35Å; L138-H426 PolarHBondContact N-ND1 3.26Å; L138-L429 HydrophobicContact CD1-CB 4.23Å; L138-L429 HydrophobicContact CD2-CB 3.85Å; L138-L429 HydrophobicContact CD2-CD1 4.25Å; L138-K430 HydrophobicContact CD1-CB 4.37Å; L138-K430 HydrophobicContact CD1-CG 3.9Å |
| 139 | Y | 94.7 | Very high | 91.5 | Very high | 2 Ų | 2 | 54.2 Ų | 54.2 | 1% | 0.008 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | 6.4 | -169.3 | -50.9 | -58.7 | 0 | 0 | 0 | 112.9 | D137 K141 D142 Y145 G146 D383 P419 L420 H426 | D137-Y139 PolarHBondContact O-N 2.7Å; D137-Y139 VanDerWaalsContact OD1-CA 3.25Å; D137-Y139 WeakPolarHBondContact OD1-CA 3.22Å; D137-Y139 PolarHBondContact OD1-N 3.17Å; Y139-K141 PolarHBondContact O-N 2.88Å; Y139-D142 HydrophobicContact CD1-CB 4.48Å; Y139-D142 VanDerWaalsContact O-CB 3.29Å; Y139-D142 WeakPolarHBondContact O-CB 3.08Å; Y139-D142 PolarHBondContact O-N 3.49Å; Y139-Y145 HydrophobicContact CD1-CD2 4.07Å; Y139-Y145 HydrophobicContact CD1-CG 4.37Å; Y139-Y145 HydrophobicContact CE1-CD2 4.08Å; Y139-G146 WeakPolarHBondContact O-CA 3.45Å; Y139-D383 WeakPolarHBondContact CE1-OD1 3.31Å; Y139-D383 PolarHBondContact OH-OD1 3.33Å; Y139-P419 HydrophobicContact CD2-CB 4.02Å; Y139-P419 HydrophobicContact CE2-CB 3.57Å; Y139-L420 HydrophobicContact CE2-CB 4.01Å; Y139-L420 WeakPolarHBondContact OH-CB 3.15Å; Y139-L420 PolarHBondContact OH-N 3.27Å; Y139-L420 VanDerWaalsContact OH-N 3.16Å; Y139-H426 AromaticContact CD2-CE1 3.85Å; Y139-H426 AromaticContact CE2-CE1 3.58Å |
| 140 | A | 91.1 | Very high | 91.2 | Very high | 39 Ų | 39 | 55 Ų | 55 | 32% | 0.322 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -29.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | S134 T135 D137 | S134-A140 WeakPolarHBondContact O-CB 3.17Å; T135-A140 WeakPolarHBondContact O-CB 3.22Å; D137-A140 PolarHBondContact OD1-N 3.09Å |
| 141 | K | 89.5 | Confident | 90.8 | Very high | 185 Ų | 185 | 50.6 Ų | 50.6 | 80% | 0.804 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.8 | 7 | 177.1 | -59.4 | -179.8 | -175.6 | 173.8 | 0 | 113.3 | Y139 | Y139-K141 PolarHBondContact O-N 2.88Š|
| 142 | D | 91.8 | Very high | 90.6 | Very high | 49 Ų | 49 | 52.8 Ų | 52.8 | 26% | 0.262 | 28% | 0.282 | S | S | . | . | trans | -84.3 | 131.8 | -179.1 | -169.1 | -76.1 | 0 | 0 | 0 | 110.7 | Y139 T144 Y145 G146 | Y139-D142 HydrophobicContact CD1-CB 4.48Å; Y139-D142 VanDerWaalsContact O-CB 3.29Å; Y139-D142 WeakPolarHBondContact O-CB 3.08Å; Y139-D142 PolarHBondContact O-N 3.49Å; D142-T144 WeakPolarHBondContact OD1-CA 3.09Å; D142-T144 WeakPolarHBondContact OD1-CB 3.39Å; D142-T144 PolarHBondContact OD1-N 3.36Å; D142-Y145 PolarHBondContact OD1-N 3.47Å; D142-G146 VanDerWaalsContact O-CA 3.29Å; D142-G146 WeakPolarHBondContact O-CA 3.33Å; D142-G146 PolarHBondContact O-N 3.44Å; D142-G146 VanDerWaalsContact O-N 3.08Å | ||
| 143 | S | 90.5 | Very high | 90.5 | Very high | 104 Ų | 104 | 53.1 Ų | 53.1 | 73% | 0.727 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -25.3 | -178.3 | 57.9 | 0 | 0 | 0 | 0 | 114 | ||
| 144 | T | 90.9 | Very high | 90.6 | Very high | 64 Ų | 64 | 52.5 Ų | 52.5 | 39% | 0.393 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -46.4 | -175.2 | -53.2 | 0 | 0 | 0 | 0 | 111.2 | D142 M150 | D142-T144 WeakPolarHBondContact OD1-CA 3.09Å; D142-T144 WeakPolarHBondContact OD1-CB 3.39Å; D142-T144 PolarHBondContact OD1-N 3.36Å; T144-M150 HydrophobicContact CG2-CE 4.22Å |
| 145 | Y | 91.6 | Very high | 90.6 | Very high | 35 Ų | 35 | 56.7 Ų | 56.7 | 14% | 0.137 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | -20.8 | -171.9 | -60.2 | -55.8 | 0 | 0 | 0 | 114.1 | Y139 D142 C148 M150 P384 D417 P419 | Y139-Y145 HydrophobicContact CD1-CD2 4.07Å; Y139-Y145 HydrophobicContact CD1-CG 4.37Å; Y139-Y145 HydrophobicContact CE1-CD2 4.08Å; D142-Y145 PolarHBondContact OD1-N 3.47Å; Y145-C148 PolarHBondContact O-N 3.29Å; Y145-M150 HydrophobicContact CD1-CB 4.31Å; Y145-M150 HydrophobicContact CD1-CG 3.94Å; Y145-M150 HydrophobicContact CE1-CG 4.19Å; Y145-P384 HydrophobicContact CE2-CB 4.39Å; Y145-P384 HydrophobicContact CE2-CG 4.41Å; Y145-D417 WeakPolarHBondContact CE1-O 3.33Å; Y145-P419 HydrophobicContact CD1-CB 3.72Å; Y145-P419 HydrophobicContact CD1-CG 3.95Å; Y145-P419 HydrophobicContact CE1-CB 4.45Å; Y145-P419 HydrophobicContact CG-CB 3.91Å |
| 146 | G | 88.8 | Confident | 90.7 | Very high | 3 Ų | 3 | 53.2 Ų | 53.2 | 3% | 0.031 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -57.5 | 151.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y139 D142 C148 H149 | Y139-G146 WeakPolarHBondContact O-CA 3.45Å; D142-G146 VanDerWaalsContact O-CA 3.29Å; D142-G146 WeakPolarHBondContact O-CA 3.33Å; D142-G146 PolarHBondContact O-N 3.44Å; D142-G146 VanDerWaalsContact O-N 3.08Å; G146-C148 PolarHBondContact O-N 3.01Å; G146-C148 VanDerWaalsContact O-N 3.11Å; G146-H149 VanDerWaalsContact O-CG 3.26Å; G146-H149 PolarHBondContact O-N 3.49Å; G146-H149 PolarHBondContact O-ND1 3.38Å |
| 147 | Q | 85.6 | Confident | 90.7 | Very high | 137 Ų | 137 | 52 Ų | 52 | 64% | 0.64 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | 53 | 32.4 | 179.8 | -56.7 | -177.3 | -11.3 | 0 | 0 | 113.7 | H149 | Q147-H149 VanDerWaalsContact C-N 3.27Å; Q147-H149 PolarHBondContact O-N 2.96Å |
| 148 | C | 86.9 | Confident | 90.5 | Very high | 16 Ų | 16 | 56.7 Ų | 56.7 | 11% | 0.108 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | 57.5 | 26.1 | -179.2 | -53.8 | 0 | 0 | 0 | 0 | 116.3 | C131 Y145 G146 M150 A151 | C131-C148 WeakPolarHBondContact CA-SG 3.01Å; C131-C148 HydrophobicContact CB-CB 4.19Å; C131-C148 WeakPolarHBondContact CB-SG 3.4Å; C131-C148 WeakPolarHBondContact SG-CB 3.42Å; C131-C148 CovalentContact SG-SG 2.01Å; C131-C148 PolarHBondContact SG-SG 3.37Å; Y145-C148 PolarHBondContact O-N 3.29Å; G146-C148 PolarHBondContact O-N 3.01Å; G146-C148 VanDerWaalsContact O-N 3.11Å; C148-M150 PolarHBondContact O-N 2.88Å; C148-A151 WeakPolarHBondContact CB-O 3.47Å; C148-A151 CarbonylContact O-C 3.59Å; C148-A151 PolarHBondContact O-N 3.45Å; C148-A151 VanDerWaalsContact O-N 3.08Å |
| 149 | H | 86.2 | Confident | 90.3 | Very high | 118 Ų | 118 | 56 Ų | 56 | 55% | 0.546 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -51.1 | -33.8 | -177.8 | -71.1 | 151.8 | 0 | 0 | 0 | 113.7 | G146 Q147 | G146-H149 VanDerWaalsContact O-CG 3.26Å; G146-H149 PolarHBondContact O-N 3.49Å; G146-H149 PolarHBondContact O-ND1 3.38Å; Q147-H149 VanDerWaalsContact C-N 3.27Å; Q147-H149 PolarHBondContact O-N 2.96Å |
| 150 | M | 86.3 | Confident | 90.3 | Very high | 86 Ų | 86 | 56 Ų | 56 | 42% | 0.424 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -92.4 | -30.3 | 178.8 | -67.1 | -63.8 | 152.4 | 0 | 0 | 114.2 | T144 Y145 C148 P419 K445 | T144-M150 HydrophobicContact CG2-CE 4.22Å; Y145-M150 HydrophobicContact CD1-CB 4.31Å; Y145-M150 HydrophobicContact CD1-CG 3.94Å; Y145-M150 HydrophobicContact CE1-CG 4.19Å; C148-M150 PolarHBondContact O-N 2.88Å; M150-P419 HydrophobicContact CB-CG 4.41Å; M150-K445 WeakPolarHBondContact O-CE 3.41Å; M150-K445 PolarHBondContact O-NZ 3.46Å |
| 151 | A | 86.1 | Confident | 90.4 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | trans | -146.5 | 101 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | C148 W153 P419 K445 | C148-A151 WeakPolarHBondContact CB-O 3.47Å; C148-A151 CarbonylContact O-C 3.59Å; C148-A151 PolarHBondContact O-N 3.45Å; C148-A151 VanDerWaalsContact O-N 3.08Å; A151-W153 HydrophobicContact CB-CD2 4.18Å; A151-W153 HydrophobicContact CB-CE3 4.44Å; A151-W153 HydrophobicContact CB-CH2 4.11Å; A151-W153 HydrophobicContact CB-CZ2 3.81Å; A151-W153 HydrophobicContact CB-CZ3 4.41Å; A151-W153 PolarHBondContact O-N 3.02Å; A151-P419 HydrophobicContact CB-CG 4.22Å; A151-K445 HydrophobicContact CB-CG 3.92Å | ||
| 152 | E | 89.9 | Confident | 90.6 | Very high | 66 Ų | 66 | 47.3 Ų | 47.3 | 31% | 0.308 | 24% | 0.237 | S | C | . | . | trans | -75.9 | 89.5 | 169.3 | -166.5 | 176.2 | 115.8 | 0 | 0 | 109.3 | K130 N154 K155 | K130-E152 HydrophobicContact CB-CG 3.91Å; K130-E152 HydrophobicContact CD-CG 4.49Å; K130-E152 HydrophobicContact CG-CG 4.44Å; K130-E152 IonicContact NZ-OE1 3.97Å; K130-E152 PolarHBondContact NZ-OE1 3.3Å; K130-E152 IonicContact NZ-OE2 3.38Å; K130-E152 PolarHBondContact NZ-OE2 2.99Å; E152-N154 PolarHBondContact O-N 3.42Å; E152-K155 HydrophobicContact CB-CG 4.43Å; E152-K155 HydrophobicContact CG-CG 4.27Å; E152-K155 WeakPolarHBondContact OE1-CA 3.26Å | ||
| 153 | W | 93.3 | Very high | 90.7 | Very high | 11 Ų | 11 | 46.5 Ų | 46.5 | 4% | 0.042 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -43.8 | -173.3 | -59.4 | 112.4 | 0 | 0 | 0 | 113.1 | A151 P419 P421 P422 Y443 E446 F447 | A151-W153 HydrophobicContact CB-CD2 4.18Å; A151-W153 HydrophobicContact CB-CE3 4.44Å; A151-W153 HydrophobicContact CB-CH2 4.11Å; A151-W153 HydrophobicContact CB-CZ2 3.81Å; A151-W153 HydrophobicContact CB-CZ3 4.41Å; A151-W153 PolarHBondContact O-N 3.02Å; W153-P419 WeakPolarHBondContact CH2-O 3.37Å; W153-P419 HydrophobicContact CZ2-CG 4.02Å; W153-P419 VanDerWaalsContact CZ2-O 3.24Å; W153-P419 WeakPolarHBondContact CZ2-O 3.22Å; W153-P421 HydrophobicContact CD2-CB 4.15Å; W153-P421 HydrophobicContact CE3-CB 4.06Å; W153-P421 HydrophobicContact CH2-CB 3.8Å; W153-P421 HydrophobicContact CH2-CG 4.45Å; W153-P421 HydrophobicContact CZ2-CB 3.88Å; W153-P421 HydrophobicContact CZ3-CB 3.89Å; W153-P422 HydrophobicContact CG-CG 4.43Å; W153-Y443 HydrophobicContact CE3-CD2 4.03Å; W153-Y443 AromaticContact CE3-CE2 3.66Å; W153-Y443 HydrophobicContact CE3-CE2 3.66Å; W153-Y443 HydrophobicContact CZ3-CD2 4.07Å; W153-Y443 AromaticContact CZ3-CE2 3.79Å; W153-Y443 HydrophobicContact CZ3-CE2 3.79Å; W153-E446 CarbonylContact O-C 3.57Å; W153-E446 WeakPolarHBondContact O-CA 3.22Å; W153-F447 HydrophobicContact CB-CD1 4.22Å; W153-F447 HydrophobicContact CB-CE1 3.66Å; W153-F447 HydrophobicContact CB-CE2 4.25Å; W153-F447 HydrophobicContact CB-CZ 3.68Å; W153-F447 HydrophobicContact CG-CE1 4.36Å; W153-F447 WeakPolarHBondContact O-CG 3.32Å; W153-F447 PolarHBondContact O-N 3.31Å |
| 154 | N | 95.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.8 | 66.6 | -175.4 | -176 | 27.1 | 0 | 0 | 0 | 111.3 | S126 D129 K130 P132 E152 P156 G157 F447 | S126-N154 WeakPolarHBondContact CB-ND2 3.32Å; S126-N154 WeakPolarHBondContact CB-OD1 3.47Å; S126-N154 PolarHBondContact OG-ND2 3.33Å; D129-N154 WeakPolarHBondContact O-CB 3.16Å; D129-N154 PolarHBondContact O-ND2 2.8Å; K130-N154 WeakPolarHBondContact CA-O 3.32Å; K130-N154 PolarHBondContact O-N 2.86Å; K130-N154 VanDerWaalsContact O-N 3.12Å; P132-N154 HydrophobicContact CG-CB 4.18Å; E152-N154 PolarHBondContact O-N 3.42Å; N154-P156 VanDerWaalsContact C-N 3.31Å; N154-P156 VanDerWaalsContact O-N 3.16Å; N154-G157 WeakPolarHBondContact ND2-CA 3.31Å; N154-G157 WeakPolarHBondContact O-CA 3.32Å; N154-G157 PolarHBondContact O-N 3.5Å; N154-F447 HydrophobicContact CB-CD2 3.82Å; N154-F447 HydrophobicContact CB-CE2 3.77Å |
| 155 | K | 93.1 | Very high | 91 | Very high | 109 Ų | 109 | 40.7 Ų | 40.7 | 47% | 0.474 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.7 | -38.1 | 179.9 | -65.3 | -163.9 | -168.2 | 151.4 | 0 | 116.3 | E152 G157 E446 | E152-K155 HydrophobicContact CB-CG 4.43Å; E152-K155 HydrophobicContact CG-CG 4.27Å; E152-K155 WeakPolarHBondContact OE1-CA 3.26Å; K155-G157 PolarHBondContact O-N 2.96Å; K155-E446 HydrophobicContact CB-CG 4.44Å; K155-E446 WeakPolarHBondContact CB-OE1 3.45Å; K155-E446 VanDerWaalsContact CD-CD 3.41Å; K155-E446 HydrophobicContact CD-CG 4.28Å; K155-E446 WeakPolarHBondContact CD-OE1 3.36Å; K155-E446 WeakPolarHBondContact CD-OE2 3.28Å; K155-E446 WeakPolarHBondContact CE-OE2 3.27Å; K155-E446 HydrophobicContact CG-CG 4.01Å; K155-E446 IonicContact NZ-OE2 2.65Å; K155-E446 PolarHBondContact NZ-OE2 3.14Å |
| 156 | P | 92.2 | Very high | 91 | Very high | 27 Ų | 27 | 42.4 Ų | 42.4 | 18% | 0.175 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -4 | 176.4 | 30.7 | -34.8 | 0 | 0 | 0 | 113.8 | S126 N154 R158 | S126-P156 PolarHBondContact N-O 3.4Å; N154-P156 VanDerWaalsContact C-N 3.31Å; N154-P156 VanDerWaalsContact O-N 3.16Å; P156-R158 PolarHBondContact O-N 3.49Å |
| 157 | G | 93.1 | Very high | 91.3 | Very high | 4 Ų | 4 | 42.5 Ų | 42.5 | 4% | 0.041 | 20% | 0.203 | C | C | . | . | B | Isolated β-bridge | trans | -57.9 | 127.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | D128 K130 N154 K155 | D128-G157 CarbonylContact O-C 3.59Å; D128-G157 WeakPolarHBondContact O-CA 3.38Å; K130-G157 VanDerWaalsContact CG-O 3.26Å; K130-G157 WeakPolarHBondContact CG-O 3.44Å; N154-G157 WeakPolarHBondContact ND2-CA 3.31Å; N154-G157 WeakPolarHBondContact O-CA 3.32Å; N154-G157 PolarHBondContact O-N 3.5Å; K155-G157 PolarHBondContact O-N 2.96Å |
| 158 | R | 88.6 | Confident | 91.8 | Very high | 117 Ų | 117 | 36 Ų | 36 | 44% | 0.442 | 17% | 0.172 | S | C | . | . | trans | -117.3 | -4.7 | 175.6 | -64.9 | -155.5 | 179.1 | -167.1 | -0.1 | 113.9 | S92 S126 D128 P156 S160 | S92-R158 PolarHBondContact O-NH1 3.07Å; S126-R158 PolarHBondContact O-N 3.04Å; S126-R158 VanDerWaalsContact O-N 3.15Å; D128-R158 PolarHBondContact O-N 2.87Å; D128-R158 VanDerWaalsContact O-N 3.13Å; P156-R158 PolarHBondContact O-N 3.49Å; R158-S160 PolarHBondContact O-N 2.76Å | ||
| 159 | G | 91.6 | Very high | 92.3 | Very high | 3 Ų | 3 | 35.2 Ų | 35.2 | 3% | 0.031 | 17% | 0.167 | C | C | . | . | trans | 63.1 | 23.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | E127 D128 D129 R161 F162 L163 | E127-G159 CarbonylContact O-C 3.56Å; E127-G159 WeakPolarHBondContact O-CA 3.48Å; D128-G159 PolarHBondContact O-N 3.22Å; D129-G159 WeakPolarHBondContact OD1-CA 3.48Å; G159-R161 PolarHBondContact O-N 3.34Å; G159-F162 CarbonylContact O-C 3.56Å; G159-F162 WeakPolarHBondContact O-CA 3.31Å; G159-F162 PolarHBondContact O-N 3.02Å; G159-L163 PolarHBondContact O-N 3.2Å | ||
| 160 | S | 93.2 | Very high | 92.8 | Very high | 3 Ų | 3 | 29.8 Ų | 29.8 | 2% | 0.021 | 14% | 0.142 | C | C | . | . | G | 310 helix | trans | -62.3 | -26.9 | -174.8 | 59.7 | 0 | 0 | 0 | 0 | 112.4 | Y125 E127 R158 F162 W165 | Y125-S160 PolarHBondContact OH-OG 3.1Å; E127-S160 VanDerWaalsContact CA-OG 3.3Å; E127-S160 WeakPolarHBondContact CA-OG 3.27Å; E127-S160 WeakPolarHBondContact CB-OG 3.38Å; E127-S160 PolarHBondContact O-N 3.46Å; E127-S160 VanDerWaalsContact O-N 3.11Å; R158-S160 PolarHBondContact O-N 2.76Å; S160-F162 VanDerWaalsContact C-N 3.28Å; S160-F162 PolarHBondContact O-N 3.22Å; S160-W165 PolarHBondContact O-NE1 3.2Å |
| 161 | R | 94.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 12% | 0.121 | C | C | . | . | G | 310 helix | trans | -62.9 | -35.9 | 171.4 | -180 | 62.5 | -174.3 | 115.7 | -21.4 | 112.8 | T38 E127 G159 L273 S274 N277 | T38-R161 PolarHBondContact O-NH1 3.26Å; T38-R161 PolarHBondContact O-NH2 3.39Å; E127-R161 HydrophobicContact CB-CB 4.3Å; E127-R161 VanDerWaalsContact O-CB 3.31Å; E127-R161 WeakPolarHBondContact O-CB 3.24Å; E127-R161 PolarHBondContact O-N 2.88Å; G159-R161 PolarHBondContact O-N 3.34Å; R161-L273 HydrophobicContact CB-CD1 4.17Å; R161-L273 HydrophobicContact CG-CD1 4.18Å; R161-S274 WeakPolarHBondContact CD-O 3.4Å; R161-S274 PolarHBondContact NE-O 3.09Å; R161-N277 PolarHBondContact NH2-OD1 2.01Å |
| 162 | F | 94 | Very high | 93.8 | Very high | 41 Ų | 41 | 25.8 Ų | 25.8 | 18% | 0.18 | 12% | 0.122 | C | C | . | . | G | 310 helix | trans | -95.8 | 6.4 | -172.1 | -53.2 | -62.9 | 0 | 0 | 0 | 113.2 | V47 D128 G159 S160 L273 W642 | V47-F162 WeakPolarHBondContact CG1-O 3.37Å; D128-F162 WeakPolarHBondContact OD1-CE2 3.37Å; G159-F162 CarbonylContact O-C 3.56Å; G159-F162 WeakPolarHBondContact O-CA 3.31Å; G159-F162 PolarHBondContact O-N 3.02Å; S160-F162 VanDerWaalsContact C-N 3.28Å; S160-F162 PolarHBondContact O-N 3.22Å; F162-L273 HydrophobicContact CE2-CD2 4.46Å; F162-L273 HydrophobicContact CZ-CD2 3.76Å; F162-W642 AromaticContact CD1-CH2 3.75Å; F162-W642 HydrophobicContact CD1-CH2 3.75Å; F162-W642 HydrophobicContact CD1-CZ2 4.06Å; F162-W642 HydrophobicContact CE1-CH2 4.03Å; F162-W642 AromaticContact CE1-CZ2 3.93Å; F162-W642 HydrophobicContact CE1-CZ2 3.93Å |
| 163 | L | 93.7 | Very high | 93.9 | Very high | 33 Ų | 33 | 23.4 Ų | 23.4 | 17% | 0.173 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -79.5 | 139.7 | 169.1 | -59.8 | 179.5 | 0 | 0 | 0 | 110.7 | G48 L99 G159 W165 | G48-L163 PolarHBondContact N-O 3.15Å; L99-L163 HydrophobicContact CD2-CB 4.27Å; L99-L163 HydrophobicContact CD2-CD1 4.06Å; G159-L163 PolarHBondContact O-N 3.2Å; L163-W165 HydrophobicContact CD1-CZ2 4.32Å; L163-W165 PolarHBondContact O-N 2.86Å |
| 164 | D | 94.6 | Very high | 93.8 | Very high | 44 Ų | 44 | 25.1 Ų | 25.1 | 24% | 0.235 | 12% | 0.122 | C | C | . | . | B | Isolated β-bridge | trans | -79.5 | 94.6 | 163.8 | -174.8 | 4.5 | 0 | 0 | 0 | 109.4 | R39 Q46 R103 N166 | R39-D164 IonicContact NH2-OD1 3.56Å; Q46-D164 PolarHBondContact NE2-OD2 3.32Å; R103-D164 VanDerWaalsContact CZ-O 3.25Å; R103-D164 PolarHBondContact NH1-O 2.94Å; R103-D164 PolarHBondContact NH2-O 3.31Å; D164-N166 VanDerWaalsContact C-N 3.32Å; D164-N166 PolarHBondContact OD1-N 3.21Å |
| 165 | W | 93.6 | Very high | 93.6 | Very high | 2 Ų | 2 | 28.9 Ų | 28.9 | 1% | 0.008 | 14% | 0.139 | C | C | . | . | trans | -65.9 | -37.2 | 178.9 | -67.2 | 80.5 | 0 | 0 | 0 | 111.7 | G48 C49 F91 I94 L99 S160 L163 I167 V169 L275 | G48-W165 WeakPolarHBondContact O-CB 3.36Å; G48-W165 PolarHBondContact O-N 3.02Å; C49-W165 HydrophobicContact CB-CB 4.46Å; F91-W165 AromaticContact CE1-CH2 3.69Å; F91-W165 HydrophobicContact CE1-CH2 3.69Å; F91-W165 HydrophobicContact CE1-CZ2 4.15Å; F91-W165 AromaticContact CE2-CH2 3.94Å; F91-W165 HydrophobicContact CE2-CH2 3.94Å; F91-W165 AromaticContact CE2-CZ3 3.97Å; F91-W165 HydrophobicContact CE2-CZ3 3.97Å; F91-W165 AromaticContact CZ-CH2 3.11Å; F91-W165 HydrophobicContact CZ-CH2 3.11Å; F91-W165 AromaticContact CZ-CZ2 3.81Å; F91-W165 HydrophobicContact CZ-CZ2 3.81Å; F91-W165 AromaticContact CZ-CZ3 3.55Å; F91-W165 HydrophobicContact CZ-CZ3 3.55Å; I94-W165 HydrophobicContact CG2-CH2 3.98Å; I94-W165 HydrophobicContact CG2-CZ3 4.03Å; L99-W165 HydrophobicContact CD1-CD2 4.47Å; L99-W165 HydrophobicContact CD1-CE3 3.61Å; L99-W165 HydrophobicContact CD1-CZ3 3.84Å; L99-W165 HydrophobicContact CD2-CD2 3.97Å; L99-W165 HydrophobicContact CD2-CE3 3.87Å; L99-W165 HydrophobicContact CD2-CG 4.39Å; L99-W165 HydrophobicContact CD2-CZ3 4.21Å; L99-W165 HydrophobicContact CG-CE3 4.39Å; S160-W165 PolarHBondContact O-NE1 3.2Å; L163-W165 HydrophobicContact CD1-CZ2 4.32Å; L163-W165 PolarHBondContact O-N 2.86Å; W165-I167 HydrophobicContact CB-CG1 4.24Å; W165-I167 PolarHBondContact O-N 2.84Å; W165-V169 HydrophobicContact CB-CG2 4.45Å; W165-V169 HydrophobicContact CD2-CG2 4.08Å; W165-V169 HydrophobicContact CE3-CG2 3.85Å; W165-V169 HydrophobicContact CG-CG2 4.34Å; W165-L275 HydrophobicContact CZ2-CD2 4.42Å | ||
| 166 | N | 91.3 | Very high | 93.7 | Very high | 71 Ų | 71 | 28.7 Ų | 28.7 | 38% | 0.38 | 15% | 0.148 | S | C | . | . | trans | 47.2 | 24.1 | -173.5 | -160.3 | 45.3 | 0 | 0 | 0 | 115.1 | R39 H50 R103 D164 | R39-N166 PolarHBondContact NH2-OD1 2.77Å; H50-N166 CarbonylContact O-C 3.58Å; R103-N166 VanDerWaalsContact NH1-CB 3.25Å; D164-N166 VanDerWaalsContact C-N 3.32Å; D164-N166 PolarHBondContact OD1-N 3.21Å | ||
| 167 | I | 95 | Very high | 93.8 | Very high | 5 Ų | 5 | 28.4 Ų | 28.4 | 3% | 0.026 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -136.5 | 152.9 | 170 | 60 | 175.3 | 0 | 0 | 0 | 107.2 | C49 H50 L106 W165 V169 | C49-I167 WeakPolarHBondContact CA-O 3.48Å; C49-I167 WeakPolarHBondContact CB-O 3.41Å; H50-I167 PolarHBondContact N-O 3.41Å; H50-I167 CarbonylContact O-C 3.38Å; H50-I167 WeakPolarHBondContact O-CA 3.35Å; H50-I167 PolarHBondContact O-N 3.49Å; L106-I167 HydrophobicContact CB-CD1 3.94Å; L106-I167 HydrophobicContact CD1-CD1 3.74Å; W165-I167 HydrophobicContact CB-CG1 4.24Å; W165-I167 PolarHBondContact O-N 2.84Å; I167-V169 HydrophobicContact CG1-CG2 4.26Å |
| 168 | P | 96.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | trans | -68.4 | 134.4 | 171.7 | 27.7 | -33.1 | 0 | 0 | 0 | 110.2 | H50 N56 A107 G108 A109 Y170 L207 | H50-P168 VanDerWaalsContact O-CD 3.26Å; H50-P168 WeakPolarHBondContact O-CD 3.38Å; H50-P168 VanDerWaalsContact O-N 3.14Å; N56-P168 HydrophobicContact CB-CG 4.06Å; N56-P168 WeakPolarHBondContact ND2-CD 3.34Å; A107-P168 VanDerWaalsContact O-CD 3.27Å; A107-P168 WeakPolarHBondContact O-CD 3.46Å; G108-P168 CarbonylContact C-O 3.54Å; G108-P168 WeakPolarHBondContact CA-O 3.31Å; A109-P168 PolarHBondContact N-O 3.33Å; P168-Y170 HydrophobicContact CB-CE2 4.25Å; P168-L207 HydrophobicContact CB-CB 3.81Å; P168-L207 HydrophobicContact CB-CD1 4.47Å; P168-L207 HydrophobicContact CG-CB 3.53Å; P168-L207 HydrophobicContact CG-CD1 4.2Å; P168-L207 HydrophobicContact CG-CG 4.48Å | ||
| 169 | V | 96.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 132 | 173.9 | -174.9 | 0 | 0 | 0 | 0 | 107.9 | C37 F91 A109 I111 W165 I167 F276 | C37-V169 HydrophobicContact CB-CB 4.08Å; C37-V169 WeakPolarHBondContact CB-O 3.15Å; C37-V169 PolarHBondContact N-O 2.99Å; F91-V169 HydrophobicContact CE2-CG1 4.43Å; F91-V169 HydrophobicContact CZ-CG1 4.28Å; A109-V169 HydrophobicContact CB-CG1 4.22Å; A109-V169 HydrophobicContact CB-CG2 4.26Å; A109-V169 CarbonylContact O-C 3.52Å; A109-V169 VanDerWaalsContact O-CA 3.27Å; A109-V169 WeakPolarHBondContact O-CA 3.47Å; I111-V169 HydrophobicContact CD1-CG1 4.03Å; I111-V169 HydrophobicContact CG1-CG1 4.09Å; W165-V169 HydrophobicContact CB-CG2 4.45Å; W165-V169 HydrophobicContact CD2-CG2 4.08Å; W165-V169 HydrophobicContact CE3-CG2 3.85Å; W165-V169 HydrophobicContact CG-CG2 4.34Å; I167-V169 HydrophobicContact CG1-CG2 4.26Å; V169-F276 HydrophobicContact CG1-CE1 4.15Å; V169-F276 HydrophobicContact CG1-CZ 4.03Å |
| 170 | Y | 97.2 | Very high | 94.5 | Very high | 4 Ų | 4 | 28.4 Ų | 28.4 | 2% | 0.016 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 147.6 | 179.2 | -81.9 | -97.8 | 0 | 0 | 0 | 111.4 | Y35 P36 A109 I110 I111 P168 L207 V208 T209 T650 | Y35-Y170 CarbonylContact O-C 3.06Å; Y35-Y170 WeakPolarHBondContact O-CA 3.4Å; P36-Y170 HydrophobicContact CB-CD1 4.22Å; P36-Y170 HydrophobicContact CB-CE1 3.68Å; P36-Y170 HydrophobicContact CG-CE1 4.39Å; A109-Y170 PolarHBondContact O-N 2.9Å; I110-Y170 CarbonylContact C-O 3.57Å; I110-Y170 WeakPolarHBondContact CA-O 3.38Å; I111-Y170 PolarHBondContact N-O 3.29Å; P168-Y170 HydrophobicContact CB-CE2 4.25Å; Y170-L207 HydrophobicContact CD2-CB 4.37Å; Y170-L207 HydrophobicContact CD2-CD1 4.26Å; Y170-L207 HydrophobicContact CD2-CD2 4.08Å; Y170-L207 HydrophobicContact CD2-CG 4.47Å; Y170-L207 HydrophobicContact CE2-CB 4.08Å; Y170-L207 HydrophobicContact CE2-CD2 4.33Å; Y170-V208 PolarHBondContact OH-O 3.25Å; Y170-T209 WeakPolarHBondContact CE2-OG1 3.28Å; Y170-T209 PolarHBondContact OH-OG1 2.78Å; Y170-T650 WeakPolarHBondContact OH-CB 3.35Å |
| 171 | L | 96.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 130.9 | 166.4 | -174.6 | 66.4 | 0 | 0 | 0 | 109.3 | G34 Y35 I111 F113 V173 F276 Y279 F455 | G34-L171 WeakPolarHBondContact CA-O 3.39Å; Y35-L171 HydrophobicContact CD2-CB 4.45Å; Y35-L171 HydrophobicContact CD2-CD2 4.5Å; Y35-L171 PolarHBondContact N-O 2.76Å; Y35-L171 PolarHBondContact O-N 3.26Å; I111-L171 HydrophobicContact CB-CD1 4.1Å; I111-L171 HydrophobicContact CG2-CD1 4.17Å; I111-L171 CarbonylContact O-C 3.58Å; I111-L171 WeakPolarHBondContact O-CA 3.44Å; F113-L171 HydrophobicContact CD1-CD1 3.77Å; F113-L171 HydrophobicContact CE1-CD1 3.76Å; F113-L171 HydrophobicContact CE1-CD2 4.01Å; F113-L171 HydrophobicContact CE1-CG 4.1Å; L171-V173 HydrophobicContact CG-CG1 4.5Å; L171-F276 HydrophobicContact CB-CD1 3.79Å; L171-F276 HydrophobicContact CB-CD2 3.7Å; L171-F276 HydrophobicContact CB-CE1 3.79Å; L171-F276 HydrophobicContact CB-CE2 3.68Å; L171-F276 HydrophobicContact CB-CG 3.74Å; L171-F276 HydrophobicContact CB-CZ 3.72Å; L171-F276 HydrophobicContact CD1-CD2 4.39Å; L171-F276 HydrophobicContact CD1-CE2 4.01Å; L171-F276 HydrophobicContact CD2-CB 4.46Å; L171-F276 HydrophobicContact CD2-CD2 3.69Å; L171-F276 HydrophobicContact CD2-CE2 4.18Å; L171-F276 HydrophobicContact CD2-CG 4.11Å; L171-F276 HydrophobicContact CG-CD2 4.15Å; L171-F276 HydrophobicContact CG-CE2 4.19Å; L171-Y279 HydrophobicContact CD2-CD1 3.81Å; L171-Y279 HydrophobicContact CD2-CD2 4Å; L171-Y279 HydrophobicContact CD2-CE1 4.29Å; L171-Y279 HydrophobicContact CD2-CE2 4.48Å; L171-Y279 HydrophobicContact CD2-CG 3.66Å; L171-F455 HydrophobicContact CD1-CD2 3.94Å; L171-F455 HydrophobicContact CD1-CE2 3.95Å; L171-F455 HydrophobicContact CD1-CG 4.31Å; L171-F455 HydrophobicContact CD1-CZ 4.34Å; L171-F455 HydrophobicContact CD2-CB 3.86Å; L171-F455 HydrophobicContact CD2-CD2 4.16Å; L171-F455 HydrophobicContact CD2-CG 4.02Å |
| 172 | L | 95.2 | Very high | 94.7 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 132.9 | 172.7 | -76.4 | -179.4 | 0 | 0 | 0 | 110.4 | D33 I110 I111 Y112 F113 E177 I178 I181 M652 | D33-L172 WeakPolarHBondContact O-CD2 2.96Å; I110-L172 HydrophobicContact CG2-CB 4.4Å; I110-L172 HydrophobicContact CG2-CD1 3.41Å; I110-L172 VanDerWaalsContact CG2-CD1 3.41Å; I110-L172 HydrophobicContact CG2-CG 3.8Å; I111-L172 PolarHBondContact O-N 3.49Å; Y112-L172 VanDerWaalsContact CA-O 3.25Å; Y112-L172 WeakPolarHBondContact CA-O 3.46Å; Y112-L172 WeakPolarHBondContact CB-O 3.48Å; F113-L172 PolarHBondContact N-O 3.2Å; L172-E177 WeakPolarHBondContact CD2-OE2 3.09Å; L172-I178 HydrophobicContact CB-CG1 4.08Å; L172-I181 HydrophobicContact CD1-CD1 3.18Å; L172-M652 HydrophobicContact CD1-CE 3.83Å; L172-M652 HydrophobicContact CD2-CE 3.39Å; L172-M652 HydrophobicContact CG-CE 3.83Å |
| 173 | V | 92 | Very high | 94.8 | Very high | 17 Ų | 17 | 30.5 Ų | 30.5 | 10% | 0.103 | 16% | 0.161 | C | C | . | . | trans | -118.9 | -19.3 | 175.4 | -60.9 | 0 | 0 | 0 | 0 | 112.4 | Y35 F113 L171 Q175 Y279 | Y35-V173 HydrophobicContact CE2-CG2 3.95Å; F113-V173 HydrophobicContact CD1-CG1 4.27Å; F113-V173 HydrophobicContact CE1-CG1 3.58Å; F113-V173 HydrophobicContact CZ-CG1 3.96Å; L171-V173 HydrophobicContact CG-CG1 4.5Å; V173-Q175 PolarHBondContact O-N 2.82Å; V173-Y279 HydrophobicContact CG1-CE2 3.77Å | ||
| 174 | N | 92.1 | Very high | 94.9 | Very high | 47 Ų | 47 | 33.7 Ų | 33.7 | 25% | 0.251 | 18% | 0.175 | S | C | . | . | trans | -74.5 | 112.4 | -179.3 | -174 | -34 | 0 | 0 | 0 | 110.9 | D33 T176 E177 I178 | D33-N174 HydrophobicContact CB-CB 3.85Å; D33-N174 PolarHBondContact OD2-ND2 3.29Å; N174-T176 PolarHBondContact O-N 3.12Å; N174-T176 VanDerWaalsContact OD1-CB 3.25Å; N174-T176 WeakPolarHBondContact OD1-CB 3.26Å; N174-T176 PolarHBondContact OD1-N 3.02Å; N174-T176 PolarHBondContact OD1-OG1 2.78Å; N174-E177 HydrophobicContact CB-CB 4.34Å; N174-E177 HydrophobicContact CB-CG 4.24Å; N174-E177 PolarHBondContact O-N 2.9Å; N174-E177 VanDerWaalsContact O-N 3.14Å; N174-I178 VanDerWaalsContact O-CG1 3.27Å; N174-I178 WeakPolarHBondContact O-CG1 3.39Å; N174-I178 PolarHBondContact O-N 2.82Å | ||
| 175 | Q | 91.2 | Very high | 95 | Very high | 78 Ų | 78 | 31.9 Ų | 31.9 | 36% | 0.364 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -57.3 | -33.1 | -178.8 | -167.8 | 61.2 | 44.9 | 0 | 0 | 113.6 | V173 I178 N179 | V173-Q175 PolarHBondContact O-N 2.82Å; Q175-I178 PolarHBondContact O-N 3.09Å; Q175-N179 PolarHBondContact NE2-OD1 2.88Å; Q175-N179 WeakPolarHBondContact O-CB 3.47Å; Q175-N179 PolarHBondContact O-N 3.18Å; Q175-N179 PolarHBondContact O-ND2 2.79Å |
| 176 | T | 94.7 | Very high | 95.1 | Very high | 106 Ų | 106 | 32.3 Ų | 32.3 | 65% | 0.65 | 17% | 0.168 | S | C | * | . | H | α-helix | trans | -66.6 | -45.3 | 179.5 | -50 | 0 | 0 | 0 | 0 | 110.6 | N174 N179 L180 | N174-T176 PolarHBondContact O-N 3.12Å; N174-T176 VanDerWaalsContact OD1-CB 3.25Å; N174-T176 WeakPolarHBondContact OD1-CB 3.26Å; N174-T176 PolarHBondContact OD1-N 3.02Å; N174-T176 PolarHBondContact OD1-OG1 2.78Å; T176-N179 PolarHBondContact O-N 2.8Å; T176-L180 WeakPolarHBondContact O-CB 2.77Å; T176-L180 PolarHBondContact O-N 3.2Å |
| 177 | E | 94.9 | Very high | 95.3 | Very high | 21 Ų | 21 | 31 Ų | 31 | 10% | 0.098 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -69 | -38.3 | 176.6 | -64.2 | -165.9 | 164.3 | 0 | 0 | 111.9 | L31 E32 D33 L172 N174 N179 L180 I181 | L31-E177 WeakPolarHBondContact CA-OE1 3.35Å; L31-E177 HydrophobicContact CD2-CB 4.22Å; L31-E177 HydrophobicContact CD2-CG 4.14Å; E32-E177 PolarHBondContact N-OE1 2.81Å; D33-E177 PolarHBondContact N-OE1 3.03Å; D33-E177 PolarHBondContact N-OE2 3.37Å; L172-E177 WeakPolarHBondContact CD2-OE2 3.09Å; N174-E177 HydrophobicContact CB-CB 4.34Å; N174-E177 HydrophobicContact CB-CG 4.24Å; N174-E177 PolarHBondContact O-N 2.9Å; N174-E177 VanDerWaalsContact O-N 3.14Å; E177-N179 VanDerWaalsContact C-N 3.34Å; E177-N179 PolarHBondContact O-N 3.08Å; E177-L180 WeakPolarHBondContact O-CB 3.48Å; E177-L180 PolarHBondContact O-N 2.79Å; E177-I181 WeakPolarHBondContact O-CG1 3.33Å; E177-I181 PolarHBondContact O-N 2.89Å |
| 178 | I | 94.9 | Very high | 95.2 | Very high | 4 Ų | 4 | 37.1 Ų | 37.1 | 2% | 0.021 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59 | -46.7 | 174 | -66 | 163.4 | 0 | 0 | 0 | 110.3 | Y112 L172 N174 Q175 L180 I181 T182 | Y112-I178 HydrophobicContact CD1-CG2 4.47Å; Y112-I178 HydrophobicContact CD2-CD1 4.06Å; Y112-I178 HydrophobicContact CD2-CG1 4.33Å; Y112-I178 HydrophobicContact CD2-CG2 3.6Å; Y112-I178 HydrophobicContact CE2-CG2 3.91Å; Y112-I178 HydrophobicContact CG-CD1 4.24Å; Y112-I178 HydrophobicContact CG-CG1 4.18Å; Y112-I178 HydrophobicContact CG-CG2 3.9Å; L172-I178 HydrophobicContact CB-CG1 4.08Å; N174-I178 VanDerWaalsContact O-CG1 3.27Å; N174-I178 WeakPolarHBondContact O-CG1 3.39Å; N174-I178 PolarHBondContact O-N 2.82Å; Q175-I178 PolarHBondContact O-N 3.09Å; I178-L180 VanDerWaalsContact C-N 3.35Å; I178-L180 PolarHBondContact O-N 2.83Å; I178-I181 PolarHBondContact O-N 3.38Å; I178-T182 HydrophobicContact CG2-CG2 4.38Å; I178-T182 WeakPolarHBondContact O-CB 3.41Å; I178-T182 WeakPolarHBondContact O-CG2 3.49Å; I178-T182 PolarHBondContact O-N 2.6Å; I178-T182 PolarHBondContact O-OG1 2.83Å |
| 179 | N | 95.7 | Very high | 95.1 | Very high | 75 Ų | 75 | 39.8 Ų | 39.8 | 40% | 0.401 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -65.2 | -38.5 | 177.6 | -72.9 | -13.9 | 0 | 0 | 0 | 111.9 | Q175 T176 E177 I181 T182 Q183 E184 | Q175-N179 PolarHBondContact NE2-OD1 2.88Å; Q175-N179 WeakPolarHBondContact O-CB 3.47Å; Q175-N179 PolarHBondContact O-N 3.18Å; Q175-N179 PolarHBondContact O-ND2 2.79Å; T176-N179 PolarHBondContact O-N 2.8Å; E177-N179 VanDerWaalsContact C-N 3.34Å; E177-N179 PolarHBondContact O-N 3.08Å; N179-I181 PolarHBondContact O-N 3.09Å; N179-T182 PolarHBondContact O-N 2.83Å; N179-Q183 WeakPolarHBondContact O-CA 3.32Å; N179-Q183 VanDerWaalsContact O-CB 3.31Å; N179-Q183 WeakPolarHBondContact O-CB 3.41Å; N179-Q183 PolarHBondContact O-N 3.38Å; N179-E184 PolarHBondContact O-N 2.86Å |
| 180 | L | 96.5 | Very high | 94.9 | Very high | 45 Ų | 45 | 40.3 Ų | 40.3 | 24% | 0.236 | 20% | 0.204 | C | C | . | . | I | π-helix | trans | -60.4 | -44.7 | 175.9 | -179 | 71.4 | 0 | 0 | 0 | 111.6 | I29 L31 T176 E177 I178 E184 C185 L654 | I29-L180 HydrophobicContact CD1-CD1 4.29Å; I29-L180 HydrophobicContact CG2-CD2 3.65Å; L31-L180 HydrophobicContact CD2-CD2 3.7Å; T176-L180 WeakPolarHBondContact O-CB 2.77Å; T176-L180 PolarHBondContact O-N 3.2Å; E177-L180 WeakPolarHBondContact O-CB 3.48Å; E177-L180 PolarHBondContact O-N 2.79Å; I178-L180 VanDerWaalsContact C-N 3.35Å; I178-L180 PolarHBondContact O-N 2.83Å; L180-E184 HydrophobicContact CD1-CB 4.08Å; L180-E184 HydrophobicContact CD1-CG 4.39Å; L180-E184 WeakPolarHBondContact O-CB 3.17Å; L180-E184 PolarHBondContact O-N 3.36Å; L180-C185 PolarHBondContact O-N 3.38Å; L180-L654 HydrophobicContact CD2-CD1 4.15Å; L180-L654 HydrophobicContact CG-CD1 4.09Å |
| 181 | I | 97 | Very high | 94.5 | Very high | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | I | π-helix | trans | -70.9 | -45.5 | 178.9 | -62.2 | 165.5 | 0 | 0 | 0 | 111.3 | L31 V60 V85 I110 L172 E177 I178 N179 C185 F186 L654 | L31-I181 HydrophobicContact CD1-CD1 3.36Å; L31-I181 HydrophobicContact CD1-CG1 3.66Å; V60-I181 HydrophobicContact CG1-CG2 3.99Å; V85-I181 HydrophobicContact CB-CG2 4.34Å; V85-I181 HydrophobicContact CG1-CG2 4.02Å; V85-I181 HydrophobicContact CG2-CG2 3.57Å; I110-I181 HydrophobicContact CD1-CD1 4.22Å; I110-I181 HydrophobicContact CG2-CD1 4.44Å; L172-I181 HydrophobicContact CD1-CD1 3.18Å; E177-I181 WeakPolarHBondContact O-CG1 3.33Å; E177-I181 PolarHBondContact O-N 2.89Å; I178-I181 PolarHBondContact O-N 3.38Å; N179-I181 PolarHBondContact O-N 3.09Å; I181-C185 VanDerWaalsContact O-CB 3.28Å; I181-C185 WeakPolarHBondContact O-CB 2.85Å; I181-F186 PolarHBondContact O-N 3.39Å; I181-L654 HydrophobicContact CG1-CD1 3.75Å; I181-L654 HydrophobicContact CG1-CD2 4.23Å; I181-L654 HydrophobicContact CG1-CG 4.44Å |
| 182 | T | 96.3 | Very high | 93.9 | Very high | 4 Ų | 4 | 45.2 Ų | 45.2 | 3% | 0.025 | 24% | 0.24 | C | C | . | . | I | π-helix | trans | -77.8 | -49.9 | -172.4 | 55.5 | 0 | 0 | 0 | 0 | 112 | W62 V85 Y112 I178 N179 F186 V187 | W62-T182 HydrophobicContact CD2-CG2 3.96Å; W62-T182 HydrophobicContact CG-CG2 4.07Å; W62-T182 HydrophobicContact CZ2-CG2 4.26Å; V85-T182 HydrophobicContact CG1-CG2 4.3Å; Y112-T182 HydrophobicContact CE1-CG2 4.46Å; I178-T182 HydrophobicContact CG2-CG2 4.38Å; I178-T182 WeakPolarHBondContact O-CB 3.41Å; I178-T182 WeakPolarHBondContact O-CG2 3.49Å; I178-T182 PolarHBondContact O-N 2.6Å; I178-T182 PolarHBondContact O-OG1 2.83Å; N179-T182 PolarHBondContact O-N 2.83Å; T182-F186 WeakPolarHBondContact O-CB 3.33Å; T182-V187 WeakPolarHBondContact O-CG2 3.23Å; T182-V187 PolarHBondContact O-N 3.12Å |
| 183 | Q | 95.9 | Very high | 93.3 | Very high | 83 Ų | 83 | 46.9 Ų | 46.9 | 39% | 0.388 | 25% | 0.247 | S | C | . | . | I | π-helix | trans | -87.3 | -56.6 | -174.6 | -56.3 | -57.3 | -46.1 | 0 | 0 | 111.8 | N179 C185 V187 K188 | N179-Q183 WeakPolarHBondContact O-CA 3.32Å; N179-Q183 VanDerWaalsContact O-CB 3.31Å; N179-Q183 WeakPolarHBondContact O-CB 3.41Å; N179-Q183 PolarHBondContact O-N 3.38Å; Q183-C185 PolarHBondContact O-N 3.38Å; Q183-V187 WeakPolarHBondContact O-CB 3.35Å; Q183-K188 PolarHBondContact O-N 3.27Å; Q183-K188 VanDerWaalsContact O-N 3.17Å |
| 184 | E | 94.9 | Very high | 92.4 | Very high | 100 Ų | 100 | 50.1 Ų | 50.1 | 47% | 0.467 | 26% | 0.263 | S | S | . | . | I | π-helix | trans | -76.7 | -25.9 | -172.1 | -66.4 | -59.2 | 141.6 | 0 | 0 | 113.4 | N179 L180 K188 H189 | N179-E184 PolarHBondContact O-N 2.86Å; L180-E184 HydrophobicContact CD1-CB 4.08Å; L180-E184 HydrophobicContact CD1-CG 4.39Å; L180-E184 WeakPolarHBondContact O-CB 3.17Å; L180-E184 PolarHBondContact O-N 3.36Å; E184-K188 WeakPolarHBondContact O-CB 3.34Å; E184-K188 WeakPolarHBondContact O-CD 3.49Å; E184-K188 IonicContact OE2-NZ 2.72Å; E184-K188 PolarHBondContact OE2-NZ 2.85Å; E184-H189 PolarHBondContact O-CD2 2.69Å |
| 185 | C | 96.4 | Very high | 91.5 | Very high | 5 Ų | 5 | 48.4 Ų | 48.4 | 3% | 0.034 | 26% | 0.257 | C | S | . | . | I | π-helix | trans | -98.9 | -63.1 | 178.2 | 172.7 | 0 | 0 | 0 | 0 | 111.6 | L180 I181 Q183 H189 C203 L654 | L180-C185 PolarHBondContact O-N 3.38Å; I181-C185 VanDerWaalsContact O-CB 3.28Å; I181-C185 WeakPolarHBondContact O-CB 2.85Å; Q183-C185 PolarHBondContact O-N 3.38Å; C185-H189 WeakPolarHBondContact O-CB 3.34Å; C185-H189 PolarHBondContact O-N 3.16Å; C185-C203 HydrophobicContact CB-CB 3.95Å; C185-C203 WeakPolarHBondContact CB-SG 3.33Å; C185-C203 WeakPolarHBondContact O-CB 3.34Å; C185-C203 WeakPolarHBondContact SG-CB 3.35Å; C185-C203 CovalentContact SG-SG 2.02Å; C185-C203 PolarHBondContact SG-SG 3.48Å; C185-L654 HydrophobicContact CB-CD1 4.29Å |
| 186 | F | 96 | Very high | 90.2 | Very high | 11 Ų | 11 | 49.1 Ų | 49.1 | 5% | 0.048 | 28% | 0.276 | C | S | . | . | I | π-helix | trans | -71.7 | -58.6 | -175.3 | 177.8 | -96.1 | 0 | 0 | 0 | 113.7 | V60 F61 W62 I181 T182 K188 H189 N190 E191 | V60-F186 HydrophobicContact CG1-CB 4.17Å; V60-F186 WeakPolarHBondContact O-CD2 3.38Å; F61-F186 AromaticContact CD2-CE2 3.83Å; F61-F186 HydrophobicContact CD2-CE2 3.83Å; F61-F186 HydrophobicContact CD2-CZ 4.32Å; F61-F186 HydrophobicContact CE2-CE2 4.37Å; F61-F186 HydrophobicContact CE2-CZ 4.43Å; F61-F186 HydrophobicContact CG-CE2 4.34Å; W62-F186 HydrophobicContact CB-CB 4.13Å; W62-F186 HydrophobicContact CB-CD1 3.49Å; W62-F186 VanDerWaalsContact CB-CD1 3.49Å; W62-F186 HydrophobicContact CB-CD2 4.07Å; W62-F186 HydrophobicContact CB-CE1 3.82Å; W62-F186 HydrophobicContact CB-CE2 4.37Å; W62-F186 HydrophobicContact CB-CG 3.6Å; W62-F186 HydrophobicContact CB-CZ 4.24Å; W62-F186 AromaticContact CE3-CD1 3.97Å; W62-F186 HydrophobicContact CE3-CD1 3.97Å; W62-F186 HydrophobicContact CE3-CE1 4.33Å; W62-F186 HydrophobicContact CG-CD1 4.42Å; W62-F186 VanDerWaalsContact N-CD2 3.33Å; I181-F186 PolarHBondContact O-N 3.39Å; T182-F186 WeakPolarHBondContact O-CB 3.33Å; F186-K188 VanDerWaalsContact C-N 3.32Å; F186-K188 PolarHBondContact O-N 3.09Å; F186-H189 PolarHBondContact O-N 3.36Å; F186-N190 HydrophobicContact CD2-CB 3.74Å; F186-N190 HydrophobicContact CE2-CB 4.07Å; F186-N190 HydrophobicContact CG-CB 4.48Å; F186-N190 CarbonylContact O-C 3.53Å; F186-N190 WeakPolarHBondContact O-CA 3.31Å; F186-N190 PolarHBondContact O-N 3.28Å; F186-E191 HydrophobicContact CD1-CB 4.27Å; F186-E191 HydrophobicContact CE1-CB 3.88Å; F186-E191 HydrophobicContact CE1-CG 4.19Å; F186-E191 HydrophobicContact CZ-CB 4.32Å; F186-E191 PolarHBondContact O-N 3.29Å |
| 187 | V | 95.3 | Very high | 88.6 | Confident | 45 Ų | 45 | 51.1 Ų | 51.1 | 27% | 0.273 | 28% | 0.283 | S | S | . | . | I | π-helix | trans | -60.3 | -43.8 | -175.4 | 168.5 | 0 | 0 | 0 | 0 | 111.1 | W62 T182 Q183 | W62-V187 HydrophobicContact CE3-CG2 4.24Å; W62-V187 HydrophobicContact CZ3-CG2 4.09Å; T182-V187 WeakPolarHBondContact O-CG2 3.23Å; T182-V187 PolarHBondContact O-N 3.12Å; Q183-V187 WeakPolarHBondContact O-CB 3.35Å |
| 188 | K | 94 | Very high | 87.1 | Confident | 133 Ų | 133 | 55.6 Ų | 55.6 | 58% | 0.578 | 30% | 0.302 | S | S | * | . | I | π-helix | trans | -68.8 | -39.2 | -177.5 | -167.4 | 178.4 | -166.7 | 167.5 | 0 | 114.3 | Q183 E184 F186 | Q183-K188 PolarHBondContact O-N 3.27Å; Q183-K188 VanDerWaalsContact O-N 3.17Å; E184-K188 WeakPolarHBondContact O-CB 3.34Å; E184-K188 WeakPolarHBondContact O-CD 3.49Å; E184-K188 IonicContact OE2-NZ 2.72Å; E184-K188 PolarHBondContact OE2-NZ 2.85Å; F186-K188 VanDerWaalsContact C-N 3.32Å; F186-K188 PolarHBondContact O-N 3.09Å |
| 189 | H | 93.2 | Very high | 86 | Confident | 55 Ų | 55 | 57.2 Ų | 57.2 | 26% | 0.255 | 32% | 0.32 | S | S | . | . | I | π-helix | trans | -113.6 | -32.8 | -170.2 | -66.8 | -78.4 | 0 | 0 | 0 | 114.9 | E184 C185 F186 P201 C203 | E184-H189 PolarHBondContact O-CD2 2.69Å; C185-H189 WeakPolarHBondContact O-CB 3.34Å; C185-H189 PolarHBondContact O-N 3.16Å; F186-H189 PolarHBondContact O-N 3.36Å; H189-P201 PolarHBondContact ND1-O 3.43Å; H189-C203 HydrophobicContact CB-CB 3.94Å |
| 190 | N | 93.5 | Very high | 85.5 | Confident | 12 Ų | 12 | 57.5 Ų | 57.5 | 6% | 0.064 | 32% | 0.316 | C | S | . | . | I | π-helix | trans | -110.3 | -28.6 | -169.5 | -62.4 | -7.2 | 0 | 0 | 0 | 113.2 | V60 F186 G192 Y193 L202 C203 | V60-N190 PolarHBondContact O-ND2 3.3Å; F186-N190 HydrophobicContact CD2-CB 3.74Å; F186-N190 HydrophobicContact CE2-CB 4.07Å; F186-N190 HydrophobicContact CG-CB 4.48Å; F186-N190 CarbonylContact O-C 3.53Å; F186-N190 WeakPolarHBondContact O-CA 3.31Å; F186-N190 PolarHBondContact O-N 3.28Å; N190-G192 PolarHBondContact O-N 3.28Å; N190-Y193 WeakPolarHBondContact O-CB 3.33Å; N190-Y193 PolarHBondContact O-N 3.39Å; N190-L202 WeakPolarHBondContact OD1-CA 3.49Å; N190-L202 WeakPolarHBondContact OD1-CB 3.32Å; N190-C203 PolarHBondContact ND2-O 2.85Å; N190-C203 PolarHBondContact OD1-N 3.18Å |
| 191 | E | 89.7 | Confident | 85.3 | Confident | 56 Ų | 56 | 58.2 Ų | 58.2 | 26% | 0.262 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | 137.4 | -178 | -172.8 | 172.6 | -128.6 | 0 | 0 | 111 | R64 F186 Y193 K198 | R64-E191 IonicContact CZ-OE1 2.78Å; R64-E191 VanDerWaalsContact CZ-OE1 3.3Å; R64-E191 IonicContact NH1-OE1 2.65Å; R64-E191 PolarHBondContact NH1-OE1 3.21Å; R64-E191 IonicContact NH2-OE1 2.84Å; R64-E191 PolarHBondContact NH2-OE1 3.24Å; F186-E191 HydrophobicContact CD1-CB 4.27Å; F186-E191 HydrophobicContact CE1-CB 3.88Å; F186-E191 HydrophobicContact CE1-CG 4.19Å; F186-E191 HydrophobicContact CZ-CB 4.32Å; F186-E191 PolarHBondContact O-N 3.29Å; E191-Y193 PolarHBondContact O-N 2.93Å; E191-K198 PolarHBondContact O-NZ 2.99Å |
| 192 | G | 83.7 | Confident | 85.2 | Confident | 50 Ų | 50 | 58.2 Ų | 58.2 | 52% | 0.515 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.1 | 15.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | N190 N194 K198 | N190-G192 PolarHBondContact O-N 3.28Å; G192-N194 PolarHBondContact O-N 3.45Å; G192-N194 VanDerWaalsContact O-N 3.1Å; G192-K198 WeakPolarHBondContact O-CD 3.35Å |
| 193 | Y | 80.8 | Confident | 85.2 | Confident | 36 Ų | 36 | 58.3 Ų | 58.3 | 14% | 0.141 | 32% | 0.324 | C | S | . | . | trans | -55 | 116.8 | 170.1 | -174.8 | -92.3 | 0 | 0 | 0 | 110 | F77 L79 N190 E191 G195 L202 | F77-Y193 HydrophobicContact CB-CD1 4.18Å; F77-Y193 HydrophobicContact CB-CE1 3.79Å; F77-Y193 HydrophobicContact CD1-CD1 4.37Å; F77-Y193 HydrophobicContact CD1-CE1 4.16Å; F77-Y193 HydrophobicContact CD2-CD1 4.04Å; F77-Y193 HydrophobicContact CD2-CE1 4.44Å; F77-Y193 WeakPolarHBondContact CE2-O 3.48Å; F77-Y193 AromaticContact CG-CD1 3.94Å; F77-Y193 HydrophobicContact CG-CD1 3.94Å; F77-Y193 AromaticContact CG-CE1 3.88Å; F77-Y193 HydrophobicContact CG-CE1 3.88Å; L79-Y193 HydrophobicContact CD1-CD1 3.68Å; L79-Y193 HydrophobicContact CD1-CE1 3.8Å; L79-Y193 HydrophobicContact CD1-CG 4.22Å; L79-Y193 HydrophobicContact CD2-CE1 4.01Å; L79-Y193 HydrophobicContact CG-CE1 4.16Å; N190-Y193 WeakPolarHBondContact O-CB 3.33Å; N190-Y193 PolarHBondContact O-N 3.39Å; E191-Y193 PolarHBondContact O-N 2.93Å; Y193-G195 VanDerWaalsContact CE2-O 3.28Å; Y193-G195 WeakPolarHBondContact CE2-O 3.37Å; Y193-G195 VanDerWaalsContact CZ-O 3.25Å; Y193-G195 PolarHBondContact OH-O 3.4Å; Y193-L202 HydrophobicContact CD2-CD2 3.71Å; Y193-L202 HydrophobicContact CE2-CD1 4.36Å; Y193-L202 HydrophobicContact CE2-CD2 4.07Å; Y193-L202 HydrophobicContact CG-CD2 4.48Å | ||
| 194 | N | 74.8 | Confident | 85.2 | Confident | 85 Ų | 85 | 54.4 Ų | 54.4 | 46% | 0.455 | 31% | 0.306 | S | S | . | . | trans | -116.8 | 23 | -176.8 | 66.3 | -12.6 | 0 | 0 | 0 | 111.9 | F77 G192 K198 | F77-N194 VanDerWaalsContact CE1-C 3.45Å; G192-N194 PolarHBondContact O-N 3.45Å; G192-N194 VanDerWaalsContact O-N 3.1Å; N194-K198 WeakPolarHBondContact OD1-CB 3.41Å; N194-K198 PolarHBondContact OD1-N 3.44Å | ||
| 195 | G | 72.7 | Confident | 85.4 | Confident | 12 Ų | 12 | 49.6 Ų | 49.6 | 12% | 0.124 | 28% | 0.283 | C | S | . | . | S | Bend | trans | 98.2 | -136.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112 | Y193 D197 | Y193-G195 VanDerWaalsContact CE2-O 3.28Å; Y193-G195 WeakPolarHBondContact CE2-O 3.37Å; Y193-G195 VanDerWaalsContact CZ-O 3.25Å; Y193-G195 PolarHBondContact OH-O 3.4Å; G195-D197 VanDerWaalsContact C-N 3.3Å; G195-D197 PolarHBondContact O-N 3.45Å |
| 196 | A | 62.5 | Low | 85.4 | Confident | 92 Ų | 92 | 50.3 Ų | 50.3 | 76% | 0.76 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -68.1 | -26.3 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | G199 | A196-G199 PolarHBondContact O-N 2.91Š|
| 197 | D | 61.3 | Low | 85.5 | Confident | 149 Ų | 149 | 49.8 Ų | 49.8 | 80% | 0.797 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -31.8 | -169.4 | -65.1 | -23.1 | 0 | 0 | 0 | 113.6 | G195 G199 | G195-D197 VanDerWaalsContact C-N 3.3Å; G195-D197 PolarHBondContact O-N 3.45Å; D197-G199 VanDerWaalsContact C-N 3.3Å |
| 198 | K | 65.2 | Low | 85.5 | Confident | 115 Ų | 115 | 48.5 Ų | 48.5 | 50% | 0.5 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | 31.4 | 172.1 | -148.4 | 179.7 | -175 | -175.9 | 0 | 112.2 | E191 G192 N194 | E191-K198 PolarHBondContact O-NZ 2.99Å; G192-K198 WeakPolarHBondContact O-CD 3.35Å; N194-K198 WeakPolarHBondContact OD1-CB 3.41Å; N194-K198 PolarHBondContact OD1-N 3.44Å |
| 199 | G | 71.1 | Confident | 85.5 | Confident | 38 Ų | 38 | 42.2 Ų | 42.2 | 39% | 0.392 | 25% | 0.249 | S | C | . | . | trans | -50.1 | 158.2 | -165.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | A196 D197 | A196-G199 PolarHBondContact O-N 2.91Å; D197-G199 VanDerWaalsContact C-N 3.3Å | ||
| 200 | Y | 85.2 | Confident | 85.5 | Confident | 81 Ų | 81 | 41.7 Ų | 41.7 | 32% | 0.318 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -25.4 | 148.5 | 175.2 | -73.5 | -92 | 0 | 0 | 0 | 116.9 | L202 V657 T658 S659 | Y200-L202 HydrophobicContact CD1-CB 4.3Å; Y200-L202 HydrophobicContact CD1-CD1 4.29Å; Y200-L202 HydrophobicContact CD1-CG 3.91Å; Y200-L202 HydrophobicContact CE1-CB 4.33Å; Y200-L202 HydrophobicContact CE1-CD1 3.77Å; Y200-L202 HydrophobicContact CE1-CG 3.91Å; Y200-L202 HydrophobicContact CG-CG 4.49Å; Y200-V657 WeakPolarHBondContact CD1-O 3.34Å; Y200-V657 HydrophobicContact CE1-CG2 4.42Å; Y200-T658 WeakPolarHBondContact CE1-O 3.26Å; Y200-S659 VanDerWaalsContact CZ-CA 3.42Å |
| 201 | P | 91.6 | Very high | 85.5 | Confident | 60 Ų | 60 | 41.2 Ų | 41.2 | 39% | 0.39 | 24% | 0.243 | S | C | . | . | P | Polyproline II helix | cis | -87.3 | 141.7 | 18 | 32.2 | -35 | 0 | 0 | 0 | 114.4 | H189 L656 V657 | H189-P201 PolarHBondContact ND1-O 3.43Å; P201-L656 HydrophobicContact CB-CB 4.14Å; P201-L656 HydrophobicContact CB-CD1 4.41Å; P201-L656 HydrophobicContact CG-CD1 4.19Å; P201-V657 VanDerWaalsContact CA-O 3.29Å; P201-V657 WeakPolarHBondContact CA-O 3.39Å; P201-V657 WeakPolarHBondContact CB-O 3.33Å |
| 202 | L | 94.3 | Very high | 85.6 | Confident | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 156.5 | 169.3 | -63.2 | 177.3 | 0 | 0 | 0 | 109.5 | I59 L79 N190 Y193 Y200 L656 V657 | I59-L202 HydrophobicContact CD1-CB 4.16Å; I59-L202 HydrophobicContact CD1-CD1 4.14Å; I59-L202 HydrophobicContact CG2-CD1 4.46Å; L79-L202 HydrophobicContact CD1-CD1 4.3Å; L79-L202 HydrophobicContact CD2-CD1 3.74Å; N190-L202 WeakPolarHBondContact OD1-CA 3.49Å; N190-L202 WeakPolarHBondContact OD1-CB 3.32Å; Y193-L202 HydrophobicContact CD2-CD2 3.71Å; Y193-L202 HydrophobicContact CE2-CD1 4.36Å; Y193-L202 HydrophobicContact CE2-CD2 4.07Å; Y193-L202 HydrophobicContact CG-CD2 4.48Å; Y200-L202 HydrophobicContact CD1-CB 4.3Å; Y200-L202 HydrophobicContact CD1-CD1 4.29Å; Y200-L202 HydrophobicContact CD1-CG 3.91Å; Y200-L202 HydrophobicContact CE1-CB 4.33Å; Y200-L202 HydrophobicContact CE1-CD1 3.77Å; Y200-L202 HydrophobicContact CE1-CG 3.91Å; Y200-L202 HydrophobicContact CG-CG 4.49Å; L202-L656 CarbonylContact O-C 3.53Å; L202-L656 WeakPolarHBondContact O-CA 3.12Å; L202-V657 HydrophobicContact CB-CG2 3.85Å; L202-V657 PolarHBondContact N-O 3.46Å; L202-V657 VanDerWaalsContact N-O 3.09Å; L202-V657 WeakPolarHBondContact O-CG2 3.28Å; L202-V657 PolarHBondContact O-N 3.36Å |
| 203 | C | 96.6 | Very high | 86 | Confident | 6 Ų | 6 | 38.8 Ų | 38.8 | 4% | 0.041 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 132.3 | 172.1 | -170.5 | 0 | 0 | 0 | 0 | 111.3 | V60 C185 H189 N190 L656 | V60-C203 PolarHBondContact N-O 2.83Å; V60-C203 VanDerWaalsContact N-O 3.11Å; C185-C203 HydrophobicContact CB-CB 3.95Å; C185-C203 WeakPolarHBondContact CB-SG 3.33Å; C185-C203 WeakPolarHBondContact O-CB 3.34Å; C185-C203 WeakPolarHBondContact SG-CB 3.35Å; C185-C203 CovalentContact SG-SG 2.02Å; C185-C203 PolarHBondContact SG-SG 3.48Å; H189-C203 HydrophobicContact CB-CB 3.94Å; N190-C203 PolarHBondContact ND2-O 2.85Å; N190-C203 PolarHBondContact OD1-N 3.18Å; C203-L656 HydrophobicContact CB-CD2 3.95Å |
| 204 | A | 97.2 | Very high | 86.6 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 158.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | V57 G58 I59 L654 F655 V657 | V57-A204 HydrophobicContact CG1-CB 4.46Å; G58-A204 CarbonylContact O-C 3.55Å; G58-A204 VanDerWaalsContact O-CA 3.28Å; G58-A204 WeakPolarHBondContact O-CA 3.33Å; G58-A204 WeakPolarHBondContact O-CB 3.43Å; I59-A204 HydrophobicContact CD1-CB 4.31Å; A204-L654 WeakPolarHBondContact O-CA 3.36Å; A204-F655 HydrophobicContact CB-CE2 4.2Å; A204-F655 HydrophobicContact CB-CZ 4.26Å; A204-F655 PolarHBondContact N-O 2.94Å; A204-F655 PolarHBondContact O-N 3.36Å; A204-V657 HydrophobicContact CB-CG1 3.66Å; A204-V657 HydrophobicContact CB-CG2 4.17Å |
| 205 | A | 97.8 | Very high | 87.5 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 143.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | V57 G58 V60 V83 R653 L654 | V57-A205 WeakPolarHBondContact CA-O 3.37Å; G58-A205 PolarHBondContact N-O 2.72Å; G58-A205 PolarHBondContact O-N 3.32Å; V60-A205 HydrophobicContact CG2-CB 3.69Å; V83-A205 HydrophobicContact CB-CB 4.24Å; V83-A205 HydrophobicContact CG1-CB 4.17Å; V83-A205 HydrophobicContact CG2-CB 4.15Å; A205-R653 CarbonylContact C-O 3.49Å; A205-R653 VanDerWaalsContact CA-O 3.3Å; A205-R653 WeakPolarHBondContact CA-O 3.34Å; A205-L654 HydrophobicContact CB-CD2 3.75Å |
| 206 | E | 97.1 | Very high | 88.5 | Confident | 20 Ų | 20 | 36.5 Ų | 36.5 | 9% | 0.093 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 129.5 | 164.7 | -176.4 | -173.4 | -82.8 | 0 | 0 | 109.7 | N56 V57 V208 M652 R653 F655 | N56-E206 VanDerWaalsContact O-CA 3.31Å; N56-E206 WeakPolarHBondContact O-CA 3.17Å; V57-E206 HydrophobicContact CG2-CB 3.96Å; V57-E206 HydrophobicContact CG2-CG 3.87Å; E206-V208 HydrophobicContact CG-CG2 4.11Å; E206-M652 WeakPolarHBondContact O-CA 3.44Å; E206-R653 HydrophobicContact CB-CG 3.85Å; E206-R653 PolarHBondContact N-O 2.9Å; E206-R653 PolarHBondContact O-N 3.04Å; E206-R653 IonicContact OE1-CZ 3.45Å; E206-R653 IonicContact OE1-NE 3.52Å; E206-R653 IonicContact OE1-NH2 3.51Å; E206-R653 PolarHBondContact OE1-NH2 3.34Å; E206-R653 IonicContact OE2-CZ 3.03Å; E206-R653 IonicContact OE2-NE 2.67Å; E206-R653 PolarHBondContact OE2-NE 3.33Å; E206-R653 IonicContact OE2-NH2 3.18Å; E206-R653 PolarHBondContact OE2-NH2 2.87Å; E206-F655 HydrophobicContact CB-CE1 3.91Å |
| 207 | L | 97.3 | Very high | 90 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 125.9 | 177.5 | -55.5 | -177.2 | 0 | 0 | 0 | 109.7 | G55 N56 V83 I110 P168 Y170 M652 | G55-L207 WeakPolarHBondContact CA-O 3.44Å; N56-L207 PolarHBondContact N-O 3.36Å; N56-L207 PolarHBondContact O-N 3.45Å; V83-L207 HydrophobicContact CG1-CD1 3.91Å; V83-L207 HydrophobicContact CG2-CD1 4.47Å; I110-L207 HydrophobicContact CD1-CD2 4.17Å; I110-L207 HydrophobicContact CG1-CD1 4.15Å; I110-L207 HydrophobicContact CG1-CD2 4.28Å; P168-L207 HydrophobicContact CB-CB 3.81Å; P168-L207 HydrophobicContact CB-CD1 4.47Å; P168-L207 HydrophobicContact CG-CB 3.53Å; P168-L207 HydrophobicContact CG-CD1 4.2Å; P168-L207 HydrophobicContact CG-CG 4.48Å; Y170-L207 HydrophobicContact CD2-CB 4.37Å; Y170-L207 HydrophobicContact CD2-CD1 4.26Å; Y170-L207 HydrophobicContact CD2-CD2 4.08Å; Y170-L207 HydrophobicContact CD2-CG 4.47Å; Y170-L207 HydrophobicContact CE2-CB 4.08Å; Y170-L207 HydrophobicContact CE2-CD2 4.33Å; L207-M652 HydrophobicContact CD2-CB 3.97Å; L207-M652 HydrophobicContact CD2-CG 3.45Å; L207-M652 VanDerWaalsContact CD2-CG 3.45Å; L207-M652 HydrophobicContact CD2-SD 3.52Å; L207-M652 VanDerWaalsContact CD2-SD 3.52Å |
| 208 | V | 95.6 | Very high | 91.4 | Very high | 18 Ų | 18 | 27.2 Ų | 27.2 | 11% | 0.109 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 109.5 | -177.4 | -173.5 | 0 | 0 | 0 | 0 | 109.7 | Y170 E206 T650 T651 | Y170-V208 PolarHBondContact OH-O 3.25Å; E206-V208 HydrophobicContact CG-CG2 4.11Å; V208-T650 WeakPolarHBondContact O-CA 3.43Å; V208-T651 WeakPolarHBondContact CB-OG1 3.39Å; V208-T651 VanDerWaalsContact CG2-OG1 3.27Å; V208-T651 WeakPolarHBondContact CG2-OG1 3.5Å; V208-T651 PolarHBondContact N-O 3.42Å; V208-T651 PolarHBondContact O-N 3.11Å; V208-T651 VanDerWaalsContact O-N 3.15Å |
| 209 | T | 93.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | trans | -141.1 | 66.6 | 173.2 | -37.1 | 0 | 0 | 0 | 0 | 108.9 | P36 S51 Y170 N211 T650 | P36-T209 HydrophobicContact CB-CG2 3.78Å; S51-T209 PolarHBondContact N-O 3.22Å; S51-T209 PolarHBondContact OG-N 2.74Å; Y170-T209 WeakPolarHBondContact CE2-OG1 3.28Å; Y170-T209 PolarHBondContact OH-OG1 2.78Å; T209-N211 PolarHBondContact O-N 3.48Å; T209-N211 VanDerWaalsContact O-N 3.16Å; T209-N211 PolarHBondContact O-ND2 3.42Å; T209-T650 HydrophobicContact CG2-CG2 3.93Å | ||
| 210 | F | 94.4 | Very high | 93.8 | Very high | 44 Ų | 44 | 26.5 Ų | 26.5 | 19% | 0.193 | 14% | 0.14 | C | C | . | . | trans | -76.9 | 106.9 | -177 | -175.7 | -104.1 | 0 | 0 | 0 | 110.5 | H50 S51 K53 H212 F647 S648 | H50-F210 AromaticContact CE1-CD2 3.8Å; H50-F210 AromaticContact CE1-CE2 3.8Å; S51-F210 WeakPolarHBondContact O-CD2 3.42Å; S51-F210 PolarHBondContact OG-N 2.97Å; K53-F210 VanDerWaalsContact CA-CD2 3.42Å; K53-F210 HydrophobicContact CB-CD2 3.9Å; K53-F210 HydrophobicContact CB-CE2 3.84Å; K53-F210 HydrophobicContact CB-CG 4.39Å; K53-F210 HydrophobicContact CB-CZ 4.27Å; K53-F210 HydrophobicContact CG-CD2 4.5Å; K53-F210 HydrophobicContact CG-CE2 4.47Å; K53-F210 HydrophobicContact CG-CZ 4.47Å; F210-H212 AromaticContact CE1-ND1 3.74Å; F210-F647 WeakPolarHBondContact O-CA 3.44Å; F210-S648 PolarHBondContact O-N 2.81Å | ||
| 211 | N | 93.2 | Very high | 94 | Very high | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.011 | 13% | 0.131 | C | C | . | . | B | Isolated β-bridge | trans | -87.8 | 128.8 | 175.5 | -71.1 | -96.8 | 0 | 0 | 0 | 109.5 | R39 C49 H50 T209 S645 | R39-N211 HydrophobicContact CB-CB 3.83Å; R39-N211 WeakPolarHBondContact CB-OD1 3.11Å; R39-N211 PolarHBondContact N-OD1 2.96Å; C49-N211 PolarHBondContact O-ND2 3.13Å; H50-N211 PolarHBondContact CE1-O 2.89Å; H50-N211 PolarHBondContact ND1-N 2.79Å; T209-N211 PolarHBondContact O-N 3.48Å; T209-N211 VanDerWaalsContact O-N 3.16Å; T209-N211 PolarHBondContact O-ND2 3.42Å; N211-S645 WeakPolarHBondContact CB-OG 3.43Å |
| 212 | H | 91.9 | Very high | 93.9 | Very high | 55 Ų | 55 | 28.4 Ų | 28.4 | 26% | 0.255 | 14% | 0.14 | S | C | . | . | S | Bend | trans | -75.6 | -24.9 | -176.1 | -70.1 | -75.8 | 0 | 0 | 0 | 113.4 | F210 F236 S645 V646 S648 | F210-H212 AromaticContact CE1-ND1 3.74Å; H212-F236 HydrophobicContact CB-CD1 4.03Å; H212-F236 WeakPolarHBondContact O-CD1 3.39Å; H212-S645 PolarHBondContact N-OG 3.32Å; H212-V646 WeakPolarHBondContact CB-O 3.3Å; H212-V646 PolarHBondContact CD2-O 2.92Å; H212-V646 VanDerWaalsContact CD2-O 3.24Å; H212-V646 PolarHBondContact N-O 2.94Å; H212-S648 PolarHBondContact CE1-OG 2.83Å; H212-S648 VanDerWaalsContact CE1-OG 3.31Å; H212-S648 PolarHBondContact NE2-OG 2.88Å |
| 213 | A | 92.4 | Very high | 93.7 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.008 | 16% | 0.158 | C | C | . | . | trans | -85.2 | 149.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | R39 L41 C220 C237 S645 | R39-A213 WeakPolarHBondContact CD-O 3.31Å; R39-A213 PolarHBondContact NH1-O 3.35Å; L41-A213 HydrophobicContact CD1-CB 3.6Å; L41-A213 HydrophobicContact CD2-CB 4.15Å; A213-C220 HydrophobicContact CB-CB 4.44Å; A213-C220 VanDerWaalsContact CB-SG 3.5Å; A213-C237 HydrophobicContact CB-CB 4.08Å; A213-S645 WeakPolarHBondContact CB-OG 3.38Å; A213-S645 PolarHBondContact N-OG 2.88Å | ||
| 214 | A | 92 | Very high | 93.2 | Very high | 46 Ų | 46 | 34.2 Ų | 34.2 | 38% | 0.38 | 16% | 0.163 | S | C | . | . | trans | -154.2 | 149.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 215 | G | 93.5 | Very high | 92.5 | Very high | 23 Ų | 23 | 40.4 Ų | 40.4 | 24% | 0.237 | 20% | 0.196 | C | C | . | . | S | Bend | trans | 94.3 | -119.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112 | Q46 | Q46-G215 WeakPolarHBondContact CB-O 3.43Å; Q46-G215 WeakPolarHBondContact CG-O 3.36Å; Q46-G215 PolarHBondContact N-O 3.47Å |
| 216 | D | 94.1 | Very high | 91.8 | Very high | 15 Ų | 15 | 44.8 Ų | 44.8 | 8% | 0.08 | 22% | 0.219 | C | C | . | . | trans | -126.4 | 170.6 | 180 | 53.2 | 57.8 | 0 | 0 | 0 | 110 | V218 R219 C220 | D216-V218 VanDerWaalsContact C-N 3.25Å; D216-V218 PolarHBondContact O-N 2.88Å; D216-V218 WeakPolarHBondContact OD1-CB 3.45Å; D216-V218 PolarHBondContact OD1-N 3.24Å; D216-V218 VanDerWaalsContact OD1-N 3.15Å; D216-R219 PolarHBondContact O-N 3.13Å; D216-R219 WeakPolarHBondContact OD1-CB 3.18Å; D216-R219 VanDerWaalsContact OD1-CG 3.3Å; D216-R219 WeakPolarHBondContact OD1-CG 3.38Å; D216-R219 PolarHBondContact OD1-N 3.48Å; D216-R219 WeakPolarHBondContact OD2-CD 3.33Å; D216-R219 IonicContact OD2-CZ 2.97Å; D216-R219 IonicContact OD2-NE 3.96Å; D216-R219 PolarHBondContact OD2-NE 3.26Å; D216-R219 IonicContact OD2-NH1 2.81Å; D216-R219 PolarHBondContact OD2-NH1 2.95Å; D216-C220 WeakPolarHBondContact O-CB 3.47Å; D216-C220 PolarHBondContact O-N 3.08Å | ||
| 217 | A | 93.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.3 | -38.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L41 N42 C220 L221 V643 | L41-A217 HydrophobicContact CB-CB 4.41Å; N42-A217 VanDerWaalsContact O-CB 3.27Å; N42-A217 WeakPolarHBondContact O-CB 3.28Å; N42-A217 PolarHBondContact O-N 2.94Å; A217-C220 PolarHBondContact O-N 3.47Å; A217-L221 WeakPolarHBondContact O-CB 3.45Å; A217-L221 VanDerWaalsContact O-CG 3.28Å; A217-L221 WeakPolarHBondContact O-CG 3.09Å; A217-L221 PolarHBondContact O-N 3.35Å; A217-V643 HydrophobicContact CB-CG1 4.04Å; A217-V643 HydrophobicContact CB-CG2 3.66Å |
| 218 | V | 92.6 | Very high | 89.1 | Confident | 47 Ų | 47 | 50.9 Ų | 50.9 | 29% | 0.285 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.2 | -51.7 | -178.2 | -176.4 | 0 | 0 | 0 | 0 | 111 | D216 C220 R222 I634 V635 | D216-V218 VanDerWaalsContact C-N 3.25Å; D216-V218 PolarHBondContact O-N 2.88Å; D216-V218 WeakPolarHBondContact OD1-CB 3.45Å; D216-V218 PolarHBondContact OD1-N 3.24Å; D216-V218 VanDerWaalsContact OD1-N 3.15Å; V218-C220 VanDerWaalsContact C-N 3.3Å; V218-C220 PolarHBondContact O-N 3.18Å; V218-R222 VanDerWaalsContact O-CB 3.23Å; V218-R222 WeakPolarHBondContact O-CB 3.4Å; V218-R222 PolarHBondContact O-N 3.36Å; V218-I634 HydrophobicContact CG2-CB 4.02Å; V218-I634 HydrophobicContact CG2-CG2 4Å; V218-V635 HydrophobicContact CG2-CG2 3.79Å |
| 219 | R | 92.1 | Very high | 87.6 | Confident | 136 Ų | 136 | 58.9 Ų | 58.9 | 51% | 0.513 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63 | -39.8 | 176.8 | -71.3 | 176.6 | -174.7 | 132.4 | -4.6 | 110.8 | D216 R223 | D216-R219 PolarHBondContact O-N 3.13Å; D216-R219 WeakPolarHBondContact OD1-CB 3.18Å; D216-R219 VanDerWaalsContact OD1-CG 3.3Å; D216-R219 WeakPolarHBondContact OD1-CG 3.38Å; D216-R219 PolarHBondContact OD1-N 3.48Å; D216-R219 WeakPolarHBondContact OD2-CD 3.33Å; D216-R219 IonicContact OD2-CZ 2.97Å; D216-R219 IonicContact OD2-NE 3.96Å; D216-R219 PolarHBondContact OD2-NE 3.26Å; D216-R219 IonicContact OD2-NH1 2.81Å; D216-R219 PolarHBondContact OD2-NH1 2.95Å; R219-R223 WeakPolarHBondContact O-CG 3.43Å; R219-R223 PolarHBondContact O-N 3.03Å; R219-R223 VanDerWaalsContact O-N 3.17Å |
| 220 | C | 93.1 | Very high | 85.9 | Confident | 2 Ų | 2 | 67.1 Ų | 67.1 | 1% | 0.014 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -67 | -51.4 | -178.7 | -177 | 0 | 0 | 0 | 0 | 112.3 | L41 A213 D216 A217 V218 R222 R223 N224 C237 | L41-C220 HydrophobicContact CD2-CB 4.26Å; A213-C220 HydrophobicContact CB-CB 4.44Å; A213-C220 VanDerWaalsContact CB-SG 3.5Å; D216-C220 WeakPolarHBondContact O-CB 3.47Å; D216-C220 PolarHBondContact O-N 3.08Å; A217-C220 PolarHBondContact O-N 3.47Å; V218-C220 VanDerWaalsContact C-N 3.3Å; V218-C220 PolarHBondContact O-N 3.18Å; C220-R222 PolarHBondContact O-N 3.19Å; C220-R223 WeakPolarHBondContact O-CB 3.29Å; C220-R223 PolarHBondContact O-N 3.45Å; C220-R223 VanDerWaalsContact O-N 3.08Å; C220-N224 PolarHBondContact O-N 2.57Å; C220-C237 HydrophobicContact CB-CB 4.24Å; C220-C237 WeakPolarHBondContact CB-SG 3.47Å; C220-C237 WeakPolarHBondContact SG-CB 3.34Å; C220-C237 PolarHBondContact SG-N 3Å; C220-C237 CovalentContact SG-SG 2.01Å; C220-C237 PolarHBondContact SG-SG 2.76Å |
| 221 | L | 90.7 | Very high | 84.1 | Confident | 27 Ų | 27 | 68.4 Ų | 68.4 | 14% | 0.141 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.7 | -45.4 | 178 | -69.6 | 171.6 | 0 | 0 | 0 | 111 | A217 R223 N224 D225 P239 F627 I634 V643 | A217-L221 WeakPolarHBondContact O-CB 3.45Å; A217-L221 VanDerWaalsContact O-CG 3.28Å; A217-L221 WeakPolarHBondContact O-CG 3.09Å; A217-L221 PolarHBondContact O-N 3.35Å; L221-R223 PolarHBondContact O-N 3.25Å; L221-R223 VanDerWaalsContact O-N 3.12Å; L221-N224 WeakPolarHBondContact O-CA 3.36Å; L221-N224 VanDerWaalsContact O-CB 3.25Å; L221-N224 WeakPolarHBondContact O-CB 3.42Å; L221-N224 PolarHBondContact O-N 2.95Å; L221-D225 PolarHBondContact O-N 3.41Å; L221-P239 HydrophobicContact CD2-CG 4.49Å; L221-F627 HydrophobicContact CD1-CD1 3.88Å; L221-F627 HydrophobicContact CD1-CE1 3.62Å; L221-I634 HydrophobicContact CD1-CD1 3.91Å; L221-V643 HydrophobicContact CD1-CG1 4.07Å; L221-V643 HydrophobicContact CD2-CG1 4.3Å; L221-V643 HydrophobicContact CG-CG1 4.28Å |
| 222 | R | 89.2 | Confident | 82 | Confident | 154 Ų | 154 | 74.7 Ų | 74.7 | 58% | 0.581 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -54.8 | -35.9 | 174.5 | -174.2 | -177.1 | 68.6 | 175.7 | 1.7 | 112.8 | V218 C220 N224 D225 I226 | V218-R222 VanDerWaalsContact O-CB 3.23Å; V218-R222 WeakPolarHBondContact O-CB 3.4Å; V218-R222 PolarHBondContact O-N 3.36Å; C220-R222 PolarHBondContact O-N 3.19Å; R222-N224 VanDerWaalsContact C-N 3.28Å; R222-N224 PolarHBondContact O-N 3.29Å; R222-D225 PolarHBondContact O-N 2.8Å; R222-I226 WeakPolarHBondContact O-CG1 3.39Å; R222-I226 PolarHBondContact O-N 3Å |
| 223 | R | 88.9 | Confident | 80.4 | Confident | 102 Ų | 102 | 75.3 Ų | 75.3 | 39% | 0.385 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -74 | -17.7 | 178 | -73.3 | 175.6 | 74.8 | -169.4 | 2.9 | 113.4 | R219 C220 L221 I226 K228 F236 | R219-R223 WeakPolarHBondContact O-CG 3.43Å; R219-R223 PolarHBondContact O-N 3.03Å; R219-R223 VanDerWaalsContact O-N 3.17Å; C220-R223 WeakPolarHBondContact O-CB 3.29Å; C220-R223 PolarHBondContact O-N 3.45Å; C220-R223 VanDerWaalsContact O-N 3.08Å; L221-R223 PolarHBondContact O-N 3.25Å; L221-R223 VanDerWaalsContact O-N 3.12Å; R223-I226 HydrophobicContact CG-CD1 4.49Å; R223-K228 WeakPolarHBondContact O-CE 3.25Å; R223-K228 PolarHBondContact O-NZ 2.98Å; R223-F236 HydrophobicContact CB-CD2 3.63Å; R223-F236 HydrophobicContact CB-CE2 3.71Å; R223-F236 WeakPolarHBondContact O-CE2 3.37Å |
| 224 | N | 87.4 | Confident | 79.3 | Confident | 27 Ų | 27 | 80 Ų | 80 | 14% | 0.144 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -71.2 | -36.7 | 169.8 | -68.3 | -19.6 | 0 | 0 | 0 | 111.1 | C220 L221 R222 L235 F236 C237 | C220-N224 PolarHBondContact O-N 2.57Å; L221-N224 WeakPolarHBondContact O-CA 3.36Å; L221-N224 VanDerWaalsContact O-CB 3.25Å; L221-N224 WeakPolarHBondContact O-CB 3.42Å; L221-N224 PolarHBondContact O-N 2.95Å; R222-N224 VanDerWaalsContact C-N 3.28Å; R222-N224 PolarHBondContact O-N 3.29Å; N224-L235 HydrophobicContact CB-CD2 4.05Å; N224-F236 WeakPolarHBondContact OD1-CB 3.43Å; N224-F236 PolarHBondContact OD1-N 3.37Å; N224-C237 PolarHBondContact ND2-O 2.92Å |
| 225 | D | 82.4 | Confident | 79 | Confident | 129 Ų | 129 | 81.3 Ų | 81.3 | 69% | 0.69 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -81.5 | -18.8 | -174.7 | -55.3 | -33.7 | 0 | 0 | 0 | 113.8 | L221 R222 P227 | L221-D225 PolarHBondContact O-N 3.41Å; R222-D225 PolarHBondContact O-N 2.8Å; D225-P227 VanDerWaalsContact O-CD 3.28Å; D225-P227 WeakPolarHBondContact O-CD 3.08Å |
| 226 | I | 81.5 | Confident | 78.8 | Confident | 93 Ų | 93 | 81.8 Ų | 81.8 | 48% | 0.477 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -65.4 | 119.3 | 175.8 | -65.1 | 167.9 | 0 | 0 | 0 | 108.6 | R222 R223 K228 | R222-I226 WeakPolarHBondContact O-CG1 3.39Å; R222-I226 PolarHBondContact O-N 3Å; R223-I226 HydrophobicContact CG-CD1 4.49Å; I226-K228 VanDerWaalsContact O-CG 3.28Å; I226-K228 WeakPolarHBondContact O-CG 3.29Å; I226-K228 PolarHBondContact O-N 3.39Å |
| 227 | P | 70.5 | Confident | 78.7 | Confident | 95 Ų | 95 | 81.1 Ų | 81.1 | 62% | 0.617 | 42% | 0.42 | S | S | * | . | trans | -60.9 | 121.8 | 180 | 19.8 | -28.8 | 0 | 0 | 0 | 110.6 | D225 | D225-P227 VanDerWaalsContact O-CD 3.28Å; D225-P227 WeakPolarHBondContact O-CD 3.08Å | ||
| 228 | K | 68 | Low | 78.7 | Confident | 52 Ų | 52 | 82.6 Ų | 82.6 | 23% | 0.226 | 43% | 0.427 | C | S | . | . | trans | -100.7 | 101.2 | -175.6 | -56.9 | 179.9 | -163.6 | 168.7 | 0 | 109.8 | R223 I226 L230 T231 N234 F236 | R223-K228 WeakPolarHBondContact O-CE 3.25Å; R223-K228 PolarHBondContact O-NZ 2.98Å; I226-K228 VanDerWaalsContact O-CG 3.28Å; I226-K228 WeakPolarHBondContact O-CG 3.29Å; I226-K228 PolarHBondContact O-N 3.39Å; K228-L230 VanDerWaalsContact C-N 3.31Å; K228-L230 PolarHBondContact O-N 3.12Å; K228-T231 VanDerWaalsContact CB-O 3.3Å; K228-T231 WeakPolarHBondContact CB-O 3.32Å; K228-N234 PolarHBondContact NZ-O 3.33Å; K228-F236 VanDerWaalsContact NZ-CD2 3.31Å | ||
| 229 | F | 63.9 | Low | 78.7 | Confident | 187 Ų | 187 | 81 Ų | 81 | 82% | 0.82 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -69.4 | -28.5 | 176.2 | -58.9 | -80.5 | 0 | 0 | 0 | 113.2 | ||
| 230 | L | 58.7 | Low | 78.8 | Confident | 172 Ų | 172 | 74.5 Ų | 74.5 | 90% | 0.901 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -105 | -15.1 | -173.7 | -70.1 | 172.3 | 0 | 0 | 0 | 114.6 | K228 | K228-L230 VanDerWaalsContact C-N 3.31Å; K228-L230 PolarHBondContact O-N 3.12Å |
| 231 | T | 56.8 | Low | 78.8 | Confident | 72 Ų | 72 | 76 Ų | 76 | 44% | 0.442 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -135.9 | 77.2 | -177.6 | 48.4 | 0 | 0 | 0 | 0 | 109.3 | K228 G233 | K228-T231 VanDerWaalsContact CB-O 3.3Å; K228-T231 WeakPolarHBondContact CB-O 3.32Å; T231-G233 PolarHBondContact O-N 3.28Å |
| 232 | V | 48.8 | Very low | 78.9 | Confident | 134 Ų | 134 | 74.9 Ų | 74.9 | 81% | 0.812 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | 123.6 | 179.6 | -174.6 | 0 | 0 | 0 | 0 | 109.2 | N234 | V232-N234 PolarHBondContact O-N 3.04Š|
| 233 | G | 57.4 | Low | 79.1 | Confident | 68 Ų | 68 | 69.2 Ų | 69.2 | 70% | 0.701 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.1 | 0.9 | 159.9 | 0 | 0 | 0 | 0 | 0 | 118.9 | T231 L235 | T231-G233 PolarHBondContact O-N 3.28Å; G233-L235 PolarHBondContact O-N 3.41Å |
| 234 | N | 70 | Confident | 79.5 | Confident | 98 Ų | 98 | 64.4 Ų | 64.4 | 52% | 0.524 | 36% | 0.357 | S | S | . | . | trans | -86.9 | 108.8 | -179.5 | -72.8 | -19.6 | 0 | 0 | 0 | 112 | K228 V232 | K228-N234 PolarHBondContact NZ-O 3.33Å; V232-N234 PolarHBondContact O-N 3.04Å | ||
| 235 | L | 85.2 | Confident | 79.9 | Confident | 75 Ų | 75 | 63.1 Ų | 63.1 | 39% | 0.393 | 35% | 0.35 | S | S | . | . | trans | -74.4 | 139.8 | 166.5 | -66.2 | 156.4 | 0 | 0 | 0 | 109.5 | N224 G233 L238 V646 | N224-L235 HydrophobicContact CB-CD2 4.05Å; G233-L235 PolarHBondContact O-N 3.41Å; L235-L238 HydrophobicContact CB-CD2 4.32Å; L235-L238 HydrophobicContact CD1-CD1 4.44Å; L235-L238 HydrophobicContact CD1-CD2 3.87Å; L235-L238 HydrophobicContact CD2-CD2 4.16Å; L235-L238 HydrophobicContact CG-CD2 4.31Å; L235-V646 HydrophobicContact CB-CG2 4.35Å; L235-V646 WeakPolarHBondContact O-CB 3.36Å; L235-V646 WeakPolarHBondContact O-CG2 3.24Å | ||
| 236 | F | 90.4 | Very high | 80.6 | Confident | 33 Ų | 33 | 57 Ų | 57 | 15% | 0.145 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -89.5 | -42.2 | -179.9 | -67.7 | -71.2 | 0 | 0 | 0 | 112.4 | H212 R223 N224 K228 V646 | H212-F236 HydrophobicContact CB-CD1 4.03Å; H212-F236 WeakPolarHBondContact O-CD1 3.39Å; R223-F236 HydrophobicContact CB-CD2 3.63Å; R223-F236 HydrophobicContact CB-CE2 3.71Å; R223-F236 WeakPolarHBondContact O-CE2 3.37Å; N224-F236 WeakPolarHBondContact OD1-CB 3.43Å; N224-F236 PolarHBondContact OD1-N 3.37Å; K228-F236 VanDerWaalsContact NZ-CD2 3.31Å; F236-V646 PolarHBondContact O-N 3.39Å |
| 237 | C | 92.4 | Very high | 81.3 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 163.8 | 174.6 | 54.2 | 0 | 0 | 0 | 0 | 110 | L41 A213 C220 N224 V643 E644 | L41-C237 HydrophobicContact CD1-CB 4.42Å; A213-C237 HydrophobicContact CB-CB 4.08Å; C220-C237 HydrophobicContact CB-CB 4.24Å; C220-C237 WeakPolarHBondContact CB-SG 3.47Å; C220-C237 WeakPolarHBondContact SG-CB 3.34Å; C220-C237 PolarHBondContact SG-N 3Å; C220-C237 CovalentContact SG-SG 2.01Å; C220-C237 PolarHBondContact SG-SG 2.76Å; N224-C237 PolarHBondContact ND2-O 2.92Å; C237-V643 HydrophobicContact CB-CB 4.27Å; C237-V643 HydrophobicContact CB-CG2 4.04Å; C237-E644 CarbonylContact C-O 3.58Å; C237-E644 WeakPolarHBondContact CA-O 3.47Å; C237-E644 WeakPolarHBondContact CB-O 3.41Å |
| 238 | L | 92.1 | Very high | 82.6 | Confident | 31 Ų | 31 | 48 Ų | 48 | 16% | 0.162 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 153.3 | 168.8 | -52.8 | 161.1 | 0 | 0 | 0 | 110.5 | L235 L552 R553 V643 E644 | L235-L238 HydrophobicContact CB-CD2 4.32Å; L235-L238 HydrophobicContact CD1-CD1 4.44Å; L235-L238 HydrophobicContact CD1-CD2 3.87Å; L235-L238 HydrophobicContact CD2-CD2 4.16Å; L235-L238 HydrophobicContact CG-CD2 4.31Å; L238-L552 HydrophobicContact CB-CD2 3.47Å; L238-L552 VanDerWaalsContact CB-CD2 3.47Å; L238-L552 HydrophobicContact CD1-CB 4.32Å; L238-L552 HydrophobicContact CD1-CD2 4.31Å; L238-L552 HydrophobicContact CG-CD2 4.17Å; L238-L552 VanDerWaalsContact O-CD2 3.31Å; L238-L552 WeakPolarHBondContact O-CD2 3.28Å; L238-R553 HydrophobicContact CD1-CG 4.43Å; L238-V643 CarbonylContact O-C 3.57Å; L238-V643 WeakPolarHBondContact O-CA 3.48Å; L238-V643 VanDerWaalsContact O-CB 3.32Å; L238-V643 WeakPolarHBondContact O-CB 3.37Å; L238-E644 PolarHBondContact N-O 3.25Å; L238-E644 PolarHBondContact O-N 2.96Å |
| 239 | P | 93.3 | Very high | 83.9 | Confident | 14 Ų | 14 | 46.2 Ų | 46.2 | 9% | 0.091 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -52.3 | 144.2 | 166.8 | -26.5 | 37.3 | 0 | 0 | 0 | 112.1 | L221 E241 F627 | L221-P239 HydrophobicContact CD2-CG 4.49Å; P239-E241 PolarHBondContact O-N 3.01Å; P239-F627 HydrophobicContact CB-CD2 3.65Å; P239-F627 HydrophobicContact CB-CE2 3.7Å; P239-F627 HydrophobicContact CB-CG 4.17Å; P239-F627 HydrophobicContact CB-CZ 4.26Å; P239-F627 HydrophobicContact CG-CB 4.39Å; P239-F627 HydrophobicContact CG-CD1 4.17Å; P239-F627 HydrophobicContact CG-CD2 3.93Å; P239-F627 HydrophobicContact CG-CE1 4.42Å; P239-F627 HydrophobicContact CG-CE2 4.18Å; P239-F627 HydrophobicContact CG-CG 3.91Å; P239-F627 HydrophobicContact CG-CZ 4.4Å |
| 240 | L | 94.2 | Very high | 85.4 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | trans | -66.1 | 123.5 | 163.1 | -62.5 | -177.6 | 0 | 0 | 0 | 108.1 | F327 I330 I550 W642 E644 | L240-F327 HydrophobicContact CD1-CB 4.15Å; L240-F327 HydrophobicContact CD1-CD1 3.8Å; L240-F327 HydrophobicContact CD1-CD2 4.01Å; L240-F327 HydrophobicContact CD1-CE1 4.21Å; L240-F327 HydrophobicContact CD1-CE2 4.38Å; L240-F327 HydrophobicContact CD1-CG 3.7Å; L240-F327 HydrophobicContact CD1-CZ 4.48Å; L240-I330 HydrophobicContact CB-CD1 3.86Å; L240-I330 HydrophobicContact CD1-CD1 4.35Å; L240-I550 HydrophobicContact CB-CG1 4.32Å; L240-I550 HydrophobicContact CB-CG2 4.31Å; L240-I550 HydrophobicContact CD1-CG2 4.1Å; L240-W642 HydrophobicContact CD1-CB 3.66Å; L240-W642 HydrophobicContact CG-CB 4.2Å; L240-W642 PolarHBondContact N-O 3.45Å; L240-E644 HydrophobicContact CD2-CB 3.68Å | ||
| 241 | E | 93 | Very high | 87 | Confident | 32 Ų | 32 | 32 Ų | 32 | 15% | 0.15 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 137.9 | -178 | 63.5 | 171.7 | -144.9 | 0 | 0 | 113.5 | P239 H551 A622 K623 | P239-E241 PolarHBondContact O-N 3.01Å; E241-H551 PolarHBondContact N-O 3.43Å; E241-H551 VanDerWaalsContact N-O 3.14Å; E241-A622 VanDerWaalsContact CA-O 3.31Å; E241-A622 WeakPolarHBondContact CA-O 3.28Å; E241-K623 HydrophobicContact CB-CB 3.98Å; E241-K623 HydrophobicContact CB-CD 4.32Å; E241-K623 HydrophobicContact CB-CG 4.09Å; E241-K623 VanDerWaalsContact OE2-CD 3.31Å; E241-K623 WeakPolarHBondContact OE2-CD 3.48Å; E241-K623 WeakPolarHBondContact OE2-CE 2.98Å; E241-K623 IonicContact OE2-NZ 2.96Å; E241-K623 PolarHBondContact OE2-NZ 2.9Å |
| 242 | E | 92.6 | Very high | 88.6 | Confident | 4 Ų | 4 | 31.1 Ų | 31.1 | 2% | 0.019 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | -149.3 | 173.5 | -123.3 | -69.1 | -165.5 | 0 | 0 | 109.6 | H323 I550 P557 S558 R561 A622 | E242-H323 HydrophobicContact CB-CB 4.21Å; E242-I550 HydrophobicContact CB-CD1 4.02Å; E242-I550 HydrophobicContact CB-CG1 4.02Å; E242-P557 WeakPolarHBondContact OE1-CA 3.46Å; E242-P557 WeakPolarHBondContact OE1-CB 3.45Å; E242-S558 PolarHBondContact OE1-N 2.63Å; E242-R561 WeakPolarHBondContact OE1-CD 3.2Å; E242-R561 IonicContact OE1-CZ 3.97Å; E242-R561 IonicContact OE1-NE 3.97Å; E242-R561 PolarHBondContact OE1-NE 3.13Å; E242-R561 WeakPolarHBondContact OE2-CD 3.45Å; E242-R561 IonicContact OE2-NE 3.85Å; E242-R561 PolarHBondContact OE2-NE 2.84Å; E242-A622 HydrophobicContact CB-CB 4.3Å; E242-A622 PolarHBondContact N-O 3.31Å; E242-A622 PolarHBondContact O-N 3.47Å |
| 243 | L | 94.2 | Very high | 90.4 | Very high | 36 Ų | 36 | 30.3 Ų | 30.3 | 19% | 0.188 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 132.4 | -177.1 | -59.6 | 173.1 | 0 | 0 | 0 | 108.2 | M270 R561 Y619 S620 | L243-M270 VanDerWaalsContact O-CE 3.3Å; L243-M270 WeakPolarHBondContact O-CE 3.39Å; L243-R561 WeakPolarHBondContact O-CD 3.26Å; L243-Y619 HydrophobicContact CD1-CG 4.42Å; L243-S620 CarbonylContact C-O 3.52Å; L243-S620 WeakPolarHBondContact CA-O 3.41Å |
| 244 | N | 96.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 151.7 | 160.6 | -50.8 | -49.6 | 0 | 0 | 0 | 108.9 | L321 F322 H323 G331 Y619 S620 | N244-L321 VanDerWaalsContact CA-O 3.3Å; N244-L321 WeakPolarHBondContact CA-O 3.31Å; N244-L321 WeakPolarHBondContact CB-O 3.21Å; N244-F322 HydrophobicContact CB-CD1 4.48Å; N244-F322 WeakPolarHBondContact OD1-CA 3.3Å; N244-H323 PolarHBondContact OD1-N 3.27Å; N244-G331 PolarHBondContact ND2-O 3.38Å; N244-G331 WeakPolarHBondContact OD1-CA 3.32Å; N244-Y619 WeakPolarHBondContact O-CA 3.4Å; N244-S620 WeakPolarHBondContact CB-OG 3.33Å; N244-S620 PolarHBondContact N-O 2.97Å; N244-S620 PolarHBondContact ND2-OG 3.26Å; N244-S620 PolarHBondContact O-N 3.24Å; N244-S620 VanDerWaalsContact O-N 3.1Å |
| 245 | V | 96.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 129.9 | 176.4 | -176.3 | 0 | 0 | 0 | 0 | 108.1 | M270 V320 L321 R561 S565 A568 V617 Y619 | V245-M270 HydrophobicContact CG2-CE 4.17Å; V245-V320 CarbonylContact O-C 3.48Å; V245-V320 WeakPolarHBondContact O-CA 3.48Å; V245-L321 HydrophobicContact CB-CB 4.35Å; V245-L321 PolarHBondContact N-O 3.27Å; V245-L321 PolarHBondContact O-N 3.42Å; V245-R561 HydrophobicContact CG2-CG 3.94Å; V245-S565 WeakPolarHBondContact CG2-OG 3.19Å; V245-A568 HydrophobicContact CG1-CB 4.43Å; V245-V617 HydrophobicContact CG1-CG1 3.77Å; V245-Y619 HydrophobicContact CG1-CE1 4.33Å; V245-Y619 HydrophobicContact CG2-CD1 4.17Å; V245-Y619 HydrophobicContact CG2-CE1 4.06Å |
| 246 | F | 97.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 166 | 179.1 | 74.3 | -78 | 0 | 0 | 0 | 112.1 | M318 P319 V320 F344 P345 M618 | F246-M318 HydrophobicContact CB-CE 4.44Å; F246-M318 HydrophobicContact CD2-CE 3.67Å; F246-M318 HydrophobicContact CE2-CE 4.18Å; F246-M318 HydrophobicContact CG-CE 4.2Å; F246-P319 VanDerWaalsContact CA-O 3.24Å; F246-P319 WeakPolarHBondContact CA-O 3.41Å; F246-P319 WeakPolarHBondContact CB-O 3.32Å; F246-V320 HydrophobicContact CB-CB 3.85Å; F246-V320 HydrophobicContact CB-CG2 3.91Å; F246-F344 HydrophobicContact CD1-CZ 4.33Å; F246-F344 HydrophobicContact CD2-CZ 4.02Å; F246-F344 AromaticContact CE1-CE2 3.94Å; F246-F344 HydrophobicContact CE1-CE2 3.94Å; F246-F344 AromaticContact CE1-CZ 3.89Å; F246-F344 HydrophobicContact CE1-CZ 3.89Å; F246-F344 HydrophobicContact CE2-CE1 4.12Å; F246-F344 HydrophobicContact CE2-CE2 4.35Å; F246-F344 AromaticContact CE2-CZ 3.52Å; F246-F344 HydrophobicContact CE2-CZ 3.52Å; F246-F344 HydrophobicContact CG-CZ 4.39Å; F246-F344 HydrophobicContact CZ-CE1 4.31Å; F246-F344 AromaticContact CZ-CE2 3.82Å; F246-F344 HydrophobicContact CZ-CE2 3.82Å; F246-F344 AromaticContact CZ-CZ 3.45Å; F246-F344 HydrophobicContact CZ-CZ 3.45Å; F246-F344 VanDerWaalsContact CZ-CZ 3.45Å; F246-P345 HydrophobicContact CE2-CG 4.18Å; F246-P345 HydrophobicContact CZ-CB 4Å; F246-P345 HydrophobicContact CZ-CG 3.96Å; F246-M618 HydrophobicContact CD1-CB 4.15Å; F246-M618 WeakPolarHBondContact CD1-O 3.3Å; F246-M618 HydrophobicContact CD2-CB 4.49Å; F246-M618 HydrophobicContact CD2-CE 4.34Å; F246-M618 HydrophobicContact CE1-CB 3.57Å; F246-M618 HydrophobicContact CE2-CB 3.98Å; F246-M618 HydrophobicContact CE2-CE 3.55Å; F246-M618 HydrophobicContact CE2-SD 4.27Å; F246-M618 HydrophobicContact CZ-CB 3.48Å; F246-M618 VanDerWaalsContact CZ-CB 3.48Å; F246-M618 HydrophobicContact CZ-CE 3.98Å; F246-M618 HydrophobicContact CZ-CG 4.37Å; F246-M618 HydrophobicContact CZ-SD 4.08Å; F246-M618 PolarHBondContact N-O 2.99Å; F246-M618 PolarHBondContact O-N 2.78Å; F246-M618 VanDerWaalsContact O-O 3.09Å |
| 247 | F | 96.2 | Very high | 92.3 | Very high | 1 Ų | 1 | 38 Ų | 38 | 0% | 0.004 | 19% | 0.186 | C | C | . | . | trans | -151 | 161.6 | 171 | 54.1 | -93.8 | 0 | 0 | 0 | 110.3 | L249 W292 A296 L299 M318 P319 V572 V617 | F247-L249 HydrophobicContact CD2-CD1 4.05Å; F247-L249 HydrophobicContact CD2-CD2 4.49Å; F247-L249 HydrophobicContact CD2-CG 3.89Å; F247-L249 HydrophobicContact CE2-CD1 3.72Å; F247-L249 HydrophobicContact CE2-CG 4.09Å; F247-W292 HydrophobicContact CD1-CH2 4Å; F247-W292 HydrophobicContact CD1-CZ2 4.45Å; F247-W292 AromaticContact CE1-CH2 3.37Å; F247-W292 HydrophobicContact CE1-CH2 3.37Å; F247-W292 AromaticContact CE1-CZ2 3.83Å; F247-W292 HydrophobicContact CE1-CZ2 3.83Å; F247-W292 HydrophobicContact CE1-CZ3 4.11Å; F247-W292 HydrophobicContact CZ-CH2 4.31Å; F247-A296 HydrophobicContact CE1-CB 4.05Å; F247-A296 HydrophobicContact CZ-CB 3.79Å; F247-L299 HydrophobicContact CE2-CD1 4.39Å; F247-M318 WeakPolarHBondContact O-CA 3.47Å; F247-P319 HydrophobicContact CD2-CG 4.18Å; F247-P319 HydrophobicContact CE1-CB 3.93Å; F247-P319 HydrophobicContact CE1-CG 4.31Å; F247-P319 HydrophobicContact CE2-CB 3.97Å; F247-P319 HydrophobicContact CE2-CG 3.43Å; F247-P319 VanDerWaalsContact CE2-CG 3.43Å; F247-P319 HydrophobicContact CZ-CB 3.59Å; F247-P319 HydrophobicContact CZ-CG 3.5Å; F247-P319 VanDerWaalsContact CZ-CG 3.5Å; F247-P319 PolarHBondContact N-O 2.78Å; F247-P319 VanDerWaalsContact N-O 3.16Å; F247-P319 WeakPolarHBondContact O-CD 3.22Å; F247-V572 HydrophobicContact CD1-CG2 4.17Å; F247-V572 HydrophobicContact CD2-CG1 4.12Å; F247-V572 HydrophobicContact CD2-CG2 4.22Å; F247-V572 HydrophobicContact CE1-CG2 3.73Å; F247-V572 HydrophobicContact CE2-CG1 4.29Å; F247-V572 HydrophobicContact CE2-CG2 3.79Å; F247-V572 HydrophobicContact CG-CG1 4.46Å; F247-V572 HydrophobicContact CG-CG2 4.39Å; F247-V572 HydrophobicContact CZ-CG2 3.53Å; F247-V617 HydrophobicContact CB-CG2 4.1Å; F247-V617 HydrophobicContact CD1-CG2 4Å; F247-V617 HydrophobicContact CG-CG2 4.34Å | ||
| 248 | I | 96.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | trans | -123.5 | 129.2 | 179.4 | -55.5 | 173.5 | 0 | 0 | 0 | 108.8 | P250 F251 F258 H316 L317 M318 V356 M618 | I248-P250 CarbonylContact O-C 3.45Å; I248-F251 WeakPolarHBondContact O-CA 3.22Å; I248-F251 PolarHBondContact O-N 2.97Å; I248-F258 HydrophobicContact CD1-CE2 4.46Å; I248-F258 HydrophobicContact CD1-CZ 4.07Å; I248-F258 HydrophobicContact CG2-CE1 4.2Å; I248-F258 HydrophobicContact CG2-CZ 4.06Å; I248-H316 HydrophobicContact CG2-CB 4.2Å; I248-L317 CarbonylContact C-O 3.55Å; I248-L317 WeakPolarHBondContact CA-O 3.43Å; I248-M318 HydrophobicContact CG1-CB 4.4Å; I248-M318 HydrophobicContact CG1-CG 4.06Å; I248-M318 HydrophobicContact CG1-SD 4.49Å; I248-V356 HydrophobicContact CD1-CG2 3.83Å; I248-M618 HydrophobicContact CD1-CE 4.28Å; I248-M618 HydrophobicContact CG1-CE 4.37Å | ||
| 249 | L | 96.2 | Very high | 92.6 | Very high | 13 Ų | 13 | 42.2 Ų | 42.2 | 7% | 0.068 | 21% | 0.205 | C | C | . | . | B | Isolated β-bridge | trans | -122.3 | 128.7 | 178.5 | -63.3 | 175.2 | 0 | 0 | 0 | 111.5 | F247 L299 I306 H316 L317 V572 | F247-L249 HydrophobicContact CD2-CD1 4.05Å; F247-L249 HydrophobicContact CD2-CD2 4.49Å; F247-L249 HydrophobicContact CD2-CG 3.89Å; F247-L249 HydrophobicContact CE2-CD1 3.72Å; F247-L249 HydrophobicContact CE2-CG 4.09Å; L249-L299 HydrophobicContact CD1-CB 3.84Å; L249-L299 HydrophobicContact CD1-CD1 4.41Å; L249-I306 HydrophobicContact CB-CG2 4.04Å; L249-I306 HydrophobicContact CD1-CD1 4.16Å; L249-H316 WeakPolarHBondContact O-CA 3.1Å; L249-L317 HydrophobicContact CB-CB 4.49Å; L249-L317 PolarHBondContact N-O 3.1Å; L249-L317 PolarHBondContact O-N 2.98Å; L249-V572 HydrophobicContact CD1-CG1 4.42Å; L249-V572 HydrophobicContact CD2-CG1 3.93Å |
| 250 | P | 95.5 | Very high | 92.7 | Very high | 19 Ų | 19 | 48.9 Ų | 48.9 | 12% | 0.123 | 24% | 0.235 | C | C | . | . | S | Bend | cis | -59.2 | 153.1 | -18.6 | 23.7 | -32 | 0 | 0 | 0 | 111.8 | I248 N307 S310 H316 | I248-P250 CarbonylContact O-C 3.45Å; P250-N307 WeakPolarHBondContact CB-OD1 3.47Å; P250-S310 WeakPolarHBondContact CD-OG 3.32Å; P250-S310 WeakPolarHBondContact CG-OG 3.36Å; P250-H316 WeakPolarHBondContact CD-ND1 3.46Å; P250-H316 PolarHBondContact O-ND1 3.06Å |
| 251 | F | 91.8 | Very high | 92.7 | Very high | 43 Ų | 43 | 53.8 Ų | 53.8 | 19% | 0.189 | 26% | 0.256 | C | S | . | . | trans | -59.7 | 140.7 | 171.3 | 176.8 | -103.5 | 0 | 0 | 0 | 110.4 | I248 E253 L351 H616 | I248-F251 WeakPolarHBondContact O-CA 3.22Å; I248-F251 PolarHBondContact O-N 2.97Å; F251-E253 HydrophobicContact CD1-CG 4.38Å; F251-E253 HydrophobicContact CE1-CG 3.61Å; F251-E253 HydrophobicContact CZ-CG 4.41Å; F251-L351 HydrophobicContact CE2-CB 4.26Å; F251-L351 HydrophobicContact CZ-CB 4.33Å; F251-L351 WeakPolarHBondContact CZ-O 3.36Å; F251-H616 HydrophobicContact CB-CB 4.18Å; F251-H616 AromaticContact CD1-CE1 3.95Å; F251-H616 AromaticContact CD1-ND1 3.96Å; F251-H616 HydrophobicContact CD2-CB 3.77Å; F251-H616 AromaticContact CD2-CG 3.8Å; F251-H616 AromaticContact CD2-ND1 3.87Å; F251-H616 HydrophobicContact CG-CB 4.12Å; F251-H616 AromaticContact CG-CG 3.7Å; F251-H616 AromaticContact CG-ND1 3.75Å | ||
| 252 | R | 90 | Very high | 92.9 | Very high | 53 Ų | 53 | 52.4 Ų | 52.4 | 20% | 0.2 | 25% | 0.25 | C | S | . | . | trans | -126.9 | 126.3 | 175.4 | -83.7 | -147.4 | 171 | -157.8 | -3.6 | 111.4 | S256 D257 F258 N314 H316 S353 S354 | R252-S256 PolarHBondContact NH1-O 3.31Å; R252-D257 PolarHBondContact NH1-O 3.07Å; R252-F258 HydrophobicContact CB-CE1 3.96Å; R252-F258 HydrophobicContact CB-CE2 4.49Å; R252-F258 HydrophobicContact CB-CZ 3.71Å; R252-F258 HydrophobicContact CG-CE1 3.88Å; R252-F258 HydrophobicContact CG-CZ 4.18Å; R252-N314 PolarHBondContact NH2-OD1 3.18Å; R252-H316 PolarHBondContact NE-CE1 3.2Å; R252-H316 VanDerWaalsContact NE-CE1 3.33Å; R252-H316 PolarHBondContact NE-NE2 3.02Å; R252-S353 WeakPolarHBondContact O-CA 3.37Å; R252-S353 PolarHBondContact O-OG 2.98Å; R252-S354 PolarHBondContact O-N 3.05Å | ||
| 253 | E | 87.5 | Confident | 93.2 | Very high | 116 Ų | 116 | 52.2 Ų | 52.2 | 54% | 0.542 | 25% | 0.249 | S | C | . | . | B | Isolated β-bridge | trans | -74.4 | 156.6 | 173.2 | -68.4 | -178.5 | -166.8 | 0 | 0 | 111.9 | F251 E255 S256 S354 | F251-E253 HydrophobicContact CD1-CG 4.38Å; F251-E253 HydrophobicContact CE1-CG 3.61Å; F251-E253 HydrophobicContact CZ-CG 4.41Å; E253-E255 PolarHBondContact O-N 2.87Å; E253-S256 PolarHBondContact O-N 3.34Å; E253-S354 WeakPolarHBondContact O-CB 3.21Å |
| 254 | R | 84.9 | Confident | 93.4 | Very high | 78 Ų | 78 | 50.5 Ų | 50.5 | 29% | 0.294 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -21.5 | -175.2 | -169.5 | 168.2 | -70.6 | 161 | -0.4 | 115.7 | S256 N352 | R254-S256 PolarHBondContact O-N 2.82Å; R254-N352 WeakPolarHBondContact CB-O 3.35Å; R254-N352 WeakPolarHBondContact CD-OD1 3.34Å; R254-N352 PolarHBondContact N-O 2.98Å; R254-N352 PolarHBondContact NE-OD1 2.85Å; R254-N352 PolarHBondContact NH1-OD1 2.84Å |
| 255 | E | 81 | Confident | 93.5 | Very high | 177 Ų | 177 | 50.5 Ų | 50.5 | 83% | 0.827 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76 | -10.4 | 179.3 | -57.7 | -173.2 | 171.3 | 0 | 0 | 113.4 | E253 | E253-E255 PolarHBondContact O-N 2.87Š|
| 256 | S | 86.3 | Confident | 93.6 | Very high | 55 Ų | 55 | 50.5 Ų | 50.5 | 39% | 0.385 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -122.5 | 102.5 | -173.1 | -66.9 | 0 | 0 | 0 | 0 | 112.3 | R252 E253 R254 S354 | R252-S256 PolarHBondContact NH1-O 3.31Å; E253-S256 PolarHBondContact O-N 3.34Å; R254-S256 PolarHBondContact O-N 2.82Å; S256-S354 WeakPolarHBondContact O-CB 3.46Å; S256-S354 PolarHBondContact O-OG 3.1Å |
| 257 | D | 90 | Very high | 93.7 | Very high | 125 Ų | 125 | 50.5 Ų | 50.5 | 67% | 0.668 | 24% | 0.241 | S | C | * | . | P | Polyproline II helix | trans | -68.7 | 144.3 | 178.9 | -68.2 | -23 | 0 | 0 | 0 | 112.8 | R252 | R252-D257 PolarHBondContact NH1-O 3.07Š|
| 258 | F | 95.1 | Very high | 93.8 | Very high | 10 Ų | 10 | 50.5 Ų | 50.5 | 4% | 0.044 | 24% | 0.24 | C | C | . | . | P | Polyproline II helix | trans | -74 | 153.2 | 171.9 | -65.5 | -76 | 0 | 0 | 0 | 111.4 | I248 R252 I263 H316 Y355 V356 H360 | I248-F258 HydrophobicContact CD1-CE2 4.46Å; I248-F258 HydrophobicContact CD1-CZ 4.07Å; I248-F258 HydrophobicContact CG2-CE1 4.2Å; I248-F258 HydrophobicContact CG2-CZ 4.06Å; R252-F258 HydrophobicContact CB-CE1 3.96Å; R252-F258 HydrophobicContact CB-CE2 4.49Å; R252-F258 HydrophobicContact CB-CZ 3.71Å; R252-F258 HydrophobicContact CG-CE1 3.88Å; R252-F258 HydrophobicContact CG-CZ 4.18Å; F258-I263 HydrophobicContact CB-CD1 4.5Å; F258-I263 HydrophobicContact CD1-CD1 4.11Å; F258-I263 HydrophobicContact CD1-CG1 4.31Å; F258-I263 HydrophobicContact CD2-CD1 4.29Å; F258-I263 HydrophobicContact CE1-CD1 4.38Å; F258-I263 HydrophobicContact CG-CD1 4.05Å; F258-H316 AromaticContact CD1-CD2 3.55Å; F258-H316 AromaticContact CD1-NE2 3.77Å; F258-H316 HydrophobicContact CE1-CB 4.39Å; F258-H316 AromaticContact CE1-CD2 3.7Å; F258-H316 AromaticContact CE1-CE1 3.99Å; F258-H316 AromaticContact CE1-CG 3.74Å; F258-H316 AromaticContact CE1-ND1 3.91Å; F258-H316 AromaticContact CE1-NE2 3.85Å; F258-Y355 WeakPolarHBondContact CD2-O 3.36Å; F258-V356 HydrophobicContact CD2-CG2 3.81Å; F258-V356 HydrophobicContact CE2-CG2 3.45Å; F258-V356 VanDerWaalsContact CE2-CG2 3.45Å; F258-V356 HydrophobicContact CZ-CG2 4.21Å; F258-H360 HydrophobicContact CB-CB 4.17Å |
| 259 | Q | 94.9 | Very high | 93.8 | Very high | 111 Ų | 111 | 51 Ų | 51 | 52% | 0.519 | 24% | 0.242 | S | C | . | . | P | Polyproline II helix | trans | -83.5 | 159.5 | 173.1 | -79.3 | -179.9 | -3.8 | 0 | 0 | 111 | K261 S262 N314 | Q259-K261 PolarHBondContact O-N 2.92Å; Q259-S262 PolarHBondContact N-OG 3.25Å; Q259-S262 VanDerWaalsContact O-CB 3.29Å; Q259-S262 WeakPolarHBondContact O-CB 3.18Å; Q259-S262 PolarHBondContact O-N 3.23Å; Q259-S262 PolarHBondContact O-OG 2.77Å; Q259-N314 VanDerWaalsContact CG-ND2 3.34Å; Q259-N314 WeakPolarHBondContact CG-ND2 3.41Å; Q259-N314 PolarHBondContact NE2-ND2 3.26Å; Q259-N314 PolarHBondContact OE1-ND2 3.16Å |
| 260 | E | 95.3 | Very high | 93.8 | Very high | 154 Ų | 154 | 50.3 Ų | 50.3 | 72% | 0.72 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | 136.8 | 170.5 | -67.4 | -170.3 | 169.1 | 0 | 0 | 110.6 | S262 S359 | E260-S262 PolarHBondContact O-N 3.22Å; E260-S359 CarbonylContact C-O 3.54Å; E260-S359 WeakPolarHBondContact CA-O 3.16Å |
| 261 | K | 95.9 | Very high | 93.8 | Very high | 102 Ų | 102 | 49.4 Ų | 49.4 | 44% | 0.443 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | 30.1 | 179 | -55 | -170.4 | 176.8 | -162.5 | 0 | 114.2 | Q259 S359 H360 G362 | Q259-K261 PolarHBondContact O-N 2.92Å; K261-S359 PolarHBondContact N-O 3.17Å; K261-H360 CarbonylContact C-O 3.55Å; K261-H360 WeakPolarHBondContact CA-O 3.3Å; K261-G362 WeakPolarHBondContact O-CA 3.47Å |
| 262 | S | 97.1 | Very high | 94 | Very high | 3 Ų | 3 | 47.5 Ų | 47.5 | 2% | 0.021 | 23% | 0.225 | C | C | . | . | trans | -98.1 | 1.8 | -176.9 | 83.2 | 0 | 0 | 0 | 0 | 115 | Q259 E260 N314 R315 H316 H360 W485 | Q259-S262 PolarHBondContact N-OG 3.25Å; Q259-S262 VanDerWaalsContact O-CB 3.29Å; Q259-S262 WeakPolarHBondContact O-CB 3.18Å; Q259-S262 PolarHBondContact O-N 3.23Å; Q259-S262 PolarHBondContact O-OG 2.77Å; E260-S262 PolarHBondContact O-N 3.22Å; S262-N314 WeakPolarHBondContact CB-O 3.3Å; S262-R315 CarbonylContact O-C 3.57Å; S262-R315 WeakPolarHBondContact O-CA 3.39Å; S262-H316 PolarHBondContact O-N 2.97Å; S262-H360 PolarHBondContact N-O 3.24Å; S262-W485 VanDerWaalsContact C-CH2 3.5Å; S262-W485 WeakPolarHBondContact O-CH2 2.94Å | ||
| 263 | I | 98.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 128.8 | 179.7 | -63.7 | 171.6 | 0 | 0 | 0 | 111.5 | F258 H316 M318 V356 H360 I361 G362 F363 W485 | F258-I263 HydrophobicContact CB-CD1 4.5Å; F258-I263 HydrophobicContact CD1-CD1 4.11Å; F258-I263 HydrophobicContact CD1-CG1 4.31Å; F258-I263 HydrophobicContact CD2-CD1 4.29Å; F258-I263 HydrophobicContact CE1-CD1 4.38Å; F258-I263 HydrophobicContact CG-CD1 4.05Å; I263-H316 WeakPolarHBondContact CA-O 3.41Å; I263-H316 HydrophobicContact CG1-CB 4.2Å; I263-M318 HydrophobicContact CG2-CB 3.52Å; I263-M318 HydrophobicContact CG2-SD 4.3Å; I263-V356 HydrophobicContact CD1-CB 4.28Å; I263-V356 HydrophobicContact CD1-CG1 3.53Å; I263-V356 HydrophobicContact CD1-CG2 3.77Å; I263-H360 WeakPolarHBondContact CB-O 3.3Å; I263-H360 HydrophobicContact CD1-CB 3.84Å; I263-H360 HydrophobicContact CG1-CB 4.39Å; I263-H360 PolarHBondContact N-O 3.47Å; I263-I361 HydrophobicContact CB-CD1 4.25Å; I263-I361 HydrophobicContact CG2-CD1 4.04Å; I263-G362 PolarHBondContact O-N 2.87Å; I263-F363 PolarHBondContact O-N 2.85Å; I263-W485 VanDerWaalsContact C-CH2 3.48Å |
| 264 | F | 98.6 | Very high | 94.6 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 0% | 0.004 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 119 | 166.5 | -174.7 | -74.6 | 0 | 0 | 0 | 109.5 | L266 H316 L317 M318 F363 F365 F400 V481 M482 W485 | F264-L266 HydrophobicContact CE1-CB 4.48Å; F264-H316 PolarHBondContact N-O 3.36Å; F264-L317 HydrophobicContact CB-CD2 3.92Å; F264-L317 HydrophobicContact CD1-CD2 4.46Å; F264-L317 HydrophobicContact CG-CD2 4.39Å; F264-M318 PolarHBondContact O-N 3.47Å; F264-F363 WeakPolarHBondContact CA-O 3.5Å; F264-F363 HydrophobicContact CD2-CB 3.7Å; F264-F363 HydrophobicContact CD2-CD1 4.15Å; F264-F363 HydrophobicContact CD2-CG 4.19Å; F264-F363 HydrophobicContact CE2-CB 3.98Å; F264-F363 AromaticContact CE2-CD1 3.54Å; F264-F363 HydrophobicContact CE2-CD1 3.54Å; F264-F363 HydrophobicContact CE2-CE1 4.35Å; F264-F363 AromaticContact CE2-CG 3.94Å; F264-F363 HydrophobicContact CE2-CG 3.94Å; F264-F363 HydrophobicContact CZ-CD1 4.03Å; F264-F365 HydrophobicContact CE1-CB 3.93Å; F264-F365 HydrophobicContact CZ-CB 3.66Å; F264-F365 HydrophobicContact CZ-CD1 4.45Å; F264-F365 HydrophobicContact CZ-CG 4.48Å; F264-F400 HydrophobicContact CE2-CD2 4.35Å; F264-F400 HydrophobicContact CE2-CE2 4.35Å; F264-F400 HydrophobicContact CZ-CE2 4.08Å; F264-V481 HydrophobicContact CE2-CG1 4.17Å; F264-V481 HydrophobicContact CZ-CG1 4.25Å; F264-M482 HydrophobicContact CD1-CE 4.5Å; F264-M482 HydrophobicContact CD1-CG 3.95Å; F264-M482 HydrophobicContact CE1-CG 3.66Å; F264-M482 HydrophobicContact CE1-SD 4.4Å; F264-M482 HydrophobicContact CZ-CG 4.15Å; F264-W485 HydrophobicContact CB-CD2 3.81Å; F264-W485 HydrophobicContact CB-CE3 3.52Å; F264-W485 HydrophobicContact CB-CH2 3.91Å; F264-W485 HydrophobicContact CB-CZ2 4.18Å; F264-W485 HydrophobicContact CB-CZ3 3.55Å; F264-W485 HydrophobicContact CD2-CB 4.16Å; F264-W485 AromaticContact CD2-CD1 3.93Å; F264-W485 AromaticContact CD2-CD2 3.8Å; F264-W485 HydrophobicContact CD2-CD2 3.8Å; F264-W485 HydrophobicContact CD2-CE3 4.29Å; F264-W485 AromaticContact CD2-CG 3.7Å; F264-W485 HydrophobicContact CD2-CG 3.7Å; F264-W485 HydrophobicContact CE2-CG 4.42Å; F264-W485 HydrophobicContact CG-CD2 4.26Å; F264-W485 HydrophobicContact CG-CE3 4.31Å |
| 265 | L | 98.6 | Very high | 95 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 121.5 | -177.7 | -167.4 | 148.4 | 0 | 0 | 0 | 110.4 | A267 M318 V320 M335 I361 F363 L364 F365 F428 | L265-A267 HydrophobicContact CD2-CB 3.72Å; L265-M318 VanDerWaalsContact CA-O 3.31Å; L265-M318 WeakPolarHBondContact CA-O 3.37Å; L265-M318 HydrophobicContact CD1-CE 4.44Å; L265-M318 HydrophobicContact CD1-SD 4.24Å; L265-V320 HydrophobicContact CD1-CG1 4.29Å; L265-V320 HydrophobicContact CD2-CG1 3.52Å; L265-V320 HydrophobicContact CG-CG1 3.91Å; L265-M335 HydrophobicContact CD1-CE 3.9Å; L265-I361 HydrophobicContact CD1-CD1 4.14Å; L265-F363 PolarHBondContact N-O 3.35Å; L265-L364 HydrophobicContact CB-CG 4.34Å; L265-L364 HydrophobicContact CD2-CD1 3.81Å; L265-L364 HydrophobicContact CD2-CG 3.71Å; L265-L364 WeakPolarHBondContact O-CA 3.3Å; L265-F365 PolarHBondContact O-N 3.49Å; L265-F428 HydrophobicContact CD1-CE1 4.17Å; L265-F428 HydrophobicContact CD1-CZ 3.97Å |
| 266 | L | 98.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 106.1 | 172.5 | 176.5 | 68.5 | 0 | 0 | 0 | 109.2 | F264 W292 V295 M318 P319 V320 F365 L367 T478 M482 | F264-L266 HydrophobicContact CE1-CB 4.48Å; L266-W292 PolarHBondContact O-NE1 3.45Å; L266-V295 HydrophobicContact CD2-CB 4.28Å; L266-V295 HydrophobicContact CD2-CG1 3.72Å; L266-M318 PolarHBondContact N-O 3.47Å; L266-M318 VanDerWaalsContact N-O 3.08Å; L266-P319 HydrophobicContact CB-CB 4.4Å; L266-P319 CarbonylContact O-C 3.55Å; L266-P319 WeakPolarHBondContact O-CA 3.43Å; L266-V320 PolarHBondContact O-N 2.8Å; L266-F365 CarbonylContact C-O 3.4Å; L266-F365 WeakPolarHBondContact CA-O 3.31Å; L266-F365 HydrophobicContact CD1-CD1 3.69Å; L266-F365 HydrophobicContact CD1-CE1 4.3Å; L266-F365 HydrophobicContact CD1-CG 4.36Å; L266-L367 HydrophobicContact CD1-CD1 4.25Å; L266-L367 HydrophobicContact CD1-CD2 4.41Å; L266-L367 HydrophobicContact CD1-CG 4.04Å; L266-T478 HydrophobicContact CD1-CG2 3.81Å; L266-T478 HydrophobicContact CD2-CG2 4.01Å; L266-M482 HydrophobicContact CB-CE 4.36Å; L266-M482 HydrophobicContact CB-SD 4.45Å; L266-M482 HydrophobicContact CD2-CE 4.36Å; L266-M482 HydrophobicContact CD2-SD 3.94Å |
| 267 | A | 98.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 149.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | L265 V320 F322 F365 E366 L367 | L265-A267 HydrophobicContact CD2-CB 3.72Å; A267-V320 CarbonylContact C-O 3.59Å; A267-V320 WeakPolarHBondContact CA-O 3.39Å; A267-V320 HydrophobicContact CB-CG1 4.1Å; A267-F322 HydrophobicContact CB-CD2 4.11Å; A267-F322 HydrophobicContact CB-CE2 3.69Å; A267-F365 PolarHBondContact N-O 2.91Å; A267-E366 HydrophobicContact CB-CB 4.01Å; A267-E366 HydrophobicContact CB-CG 3.91Å; A267-E366 CarbonylContact O-C 3.4Å; A267-E366 WeakPolarHBondContact O-CA 3.28Å; A267-L367 PolarHBondContact O-N 2.92Å |
| 268 | A | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 151.5 | 156.6 | 0 | 0 | 0 | 0 | 0 | 110 | W292 V320 L321 F322 L367 | A268-W292 HydrophobicContact CB-CB 4.42Å; A268-V320 PolarHBondContact N-O 3.28Å; A268-L321 HydrophobicContact CB-CD2 3.79Å; A268-L321 CarbonylContact O-C 3.53Å; A268-L321 VanDerWaalsContact O-CA 3.3Å; A268-L321 WeakPolarHBondContact O-CA 3.47Å; A268-F322 PolarHBondContact O-N 3.39Å; A268-L367 HydrophobicContact CB-CB 4.1Å |
| 269 | R | 97.1 | Very high | 95.9 | Very high | 10 Ų | 10 | 19.1 Ų | 19.1 | 4% | 0.038 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 142 | 168.4 | 63.4 | 177.8 | -74.3 | 172.3 | -3.7 | 110.6 | D271 E325 Y452 | R269-D271 PolarHBondContact NE-O 3.26Å; R269-D271 VanDerWaalsContact NE-O 3.1Å; R269-D271 PolarHBondContact NH2-O 3.14Å; R269-E325 HydrophobicContact CB-CB 4.09Å; R269-E325 HydrophobicContact CB-CG 4.02Å; R269-Y452 PolarHBondContact NH1-OH 3.31Å |
| 270 | M | 96 | Very high | 95.8 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 6% | 0.064 | C | C | . | . | trans | -108.1 | -17.9 | 173.9 | 60.2 | -177.4 | 151.7 | 0 | 0 | 113.8 | L243 V245 S285 V289 L321 F322 H323 I560 R561 | L243-M270 VanDerWaalsContact O-CE 3.3Å; L243-M270 WeakPolarHBondContact O-CE 3.39Å; V245-M270 HydrophobicContact CG2-CE 4.17Å; M270-S285 PolarHBondContact O-OG 3.28Å; M270-S285 VanDerWaalsContact O-OG 3.05Å; M270-V289 HydrophobicContact CB-CG2 3.79Å; M270-L321 HydrophobicContact CE-CB 4.11Å; M270-L321 WeakPolarHBondContact CE-O 3.22Å; M270-L321 HydrophobicContact SD-CB 4.06Å; M270-F322 WeakPolarHBondContact CG-O 3.36Å; M270-F322 PolarHBondContact N-O 3.3Å; M270-H323 HydrophobicContact CE-CB 3.58Å; M270-H323 HydrophobicContact CG-CB 4.39Å; M270-I560 HydrophobicContact CB-CG1 4.2Å; M270-I560 HydrophobicContact CB-CG2 4.36Å; M270-R561 HydrophobicContact CE-CG 4.06Å; M270-R561 HydrophobicContact SD-CB 4Å; M270-R561 HydrophobicContact SD-CG 4.03Å | ||
| 271 | D | 96.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 6.5 Ų | 6.5 | 0% | 0 | 3% | 0.03 | C | C | . | . | trans | -93.2 | 162.8 | -175.3 | 72.4 | -63.7 | 0 | 0 | 0 | 113.9 | R269 S285 G324 E325 A326 T548 | R269-D271 PolarHBondContact NE-O 3.26Å; R269-D271 VanDerWaalsContact NE-O 3.1Å; R269-D271 PolarHBondContact NH2-O 3.14Å; D271-S285 WeakPolarHBondContact O-CB 3.46Å; D271-G324 PolarHBondContact OD1-N 3.16Å; D271-G324 VanDerWaalsContact OD2-C 3.25Å; D271-G324 WeakPolarHBondContact OD2-CA 3.4Å; D271-G324 PolarHBondContact OD2-N 3.05Å; D271-E325 PolarHBondContact OD1-N 3.05Å; D271-E325 PolarHBondContact OD2-N 2.96Å; D271-A326 WeakPolarHBondContact OD2-CB 3.37Å; D271-A326 PolarHBondContact OD2-N 3.44Å; D271-T548 WeakPolarHBondContact CA-O 3.43Å; D271-T548 VanDerWaalsContact CB-O 3.3Å; D271-T548 WeakPolarHBondContact CB-O 3.47Å | ||
| 272 | S | 95.3 | Very high | 95.7 | Very high | 2 Ų | 2 | 1.7 Ų | 1.7 | 1% | 0.014 | 1% | 0.009 | C | C | . | . | trans | -145.7 | 177.9 | 170.1 | 89.8 | 0 | 0 | 0 | 0 | 109.5 | G282 N453 T548 | S272-G282 WeakPolarHBondContact OG-CA 3.32Å; S272-N453 WeakPolarHBondContact CB-OD1 3.4Å; S272-T548 WeakPolarHBondContact CB-OG1 3.44Å; S272-T548 PolarHBondContact N-O 3.36Å; S272-T548 PolarHBondContact OG-OG1 3.09Å | ||
| 273 | L | 94.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 1.5 Ų | 1.5 | 0% | 0 | 1% | 0.008 | C | C | . | . | trans | -125.7 | 160.4 | 173.2 | 68.1 | 78.8 | 0 | 0 | 0 | 112.2 | D128 R161 F162 A326 F327 N453 | D128-L273 HydrophobicContact CB-CD1 4.36Å; R161-L273 HydrophobicContact CB-CD1 4.17Å; R161-L273 HydrophobicContact CG-CD1 4.18Å; F162-L273 HydrophobicContact CE2-CD2 4.46Å; F162-L273 HydrophobicContact CZ-CD2 3.76Å; L273-A326 HydrophobicContact CB-CB 4.23Å; L273-A326 HydrophobicContact CD2-CB 4.09Å; L273-A326 HydrophobicContact CG-CB 4.35Å; L273-F327 HydrophobicContact CB-CE2 3.88Å; L273-F327 HydrophobicContact CB-CZ 3.75Å; L273-F327 HydrophobicContact CD2-CZ 4.39Å; L273-N453 HydrophobicContact CD1-CB 3.72Å; L273-N453 HydrophobicContact CG-CB 3.75Å; L273-N453 CarbonylContact O-C 3.56Å; L273-N453 WeakPolarHBondContact O-CA 3.44Å | ||
| 274 | S | 95 | Very high | 95.1 | Very high | 0 Ų | 0 | 1.6 Ų | 1.6 | 0% | 0 | 1% | 0.008 | C | C | . | . | trans | -148.9 | 153.7 | 174.1 | 168.9 | 0 | 0 | 0 | 0 | 108.5 | E127 R161 F276 Y279 | E127-S274 VanDerWaalsContact OE2-CA 3.27Å; E127-S274 WeakPolarHBondContact OE2-CA 3.38Å; E127-S274 PolarHBondContact OE2-OG 3.41Å; R161-S274 WeakPolarHBondContact CD-O 3.4Å; R161-S274 PolarHBondContact NE-O 3.09Å; S274-F276 WeakPolarHBondContact CB-O 3.46Å; S274-F276 PolarHBondContact O-N 3.34Å; S274-F276 PolarHBondContact OG-N 2.92Å; S274-F276 VanDerWaalsContact OG-N 3.08Å; S274-F276 PolarHBondContact OG-O 3.47Å; S274-F276 VanDerWaalsContact OG-O 3.13Å; S274-Y279 WeakPolarHBondContact CB-O 3.39Å; S274-Y279 PolarHBondContact OG-O 2.97Å | ||
| 275 | L | 94.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 1.7 Ų | 1.7 | 0% | 0 | 1% | 0.009 | C | C | . | . | S | Bend | trans | -57.1 | -28 | 168.3 | -176.3 | 62.3 | 0 | 0 | 0 | 111.5 | C37 F91 I111 E127 W165 | C37-L275 WeakPolarHBondContact CA-O 3.43Å; C37-L275 HydrophobicContact CB-CD1 4.33Å; C37-L275 HydrophobicContact CB-CG 4.16Å; C37-L275 WeakPolarHBondContact CB-O 3.43Å; C37-L275 WeakPolarHBondContact SG-CD1 3.5Å; F91-L275 HydrophobicContact CE1-CD2 4.41Å; I111-L275 HydrophobicContact CD1-CD2 4.42Å; E127-L275 WeakPolarHBondContact OE1-CB 3.4Å; E127-L275 PolarHBondContact OE2-N 3.26Å; W165-L275 HydrophobicContact CZ2-CD2 4.42Å |
| 276 | F | 94.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 1.7 Ų | 1.7 | 0% | 0 | 1% | 0.009 | C | C | . | . | S | Bend | trans | -112.8 | 98.1 | 179.9 | -52.2 | -75.2 | 0 | 0 | 0 | 108.7 | Y35 C37 I111 V169 L171 S274 D278 Y279 F455 | Y35-F276 WeakPolarHBondContact O-CD1 3.4Å; C37-F276 HydrophobicContact CB-CD1 4.07Å; C37-F276 HydrophobicContact CB-CE1 3.95Å; I111-F276 HydrophobicContact CD1-CE2 3.93Å; I111-F276 HydrophobicContact CD1-CZ 3.58Å; I111-F276 HydrophobicContact CG1-CZ 4.27Å; V169-F276 HydrophobicContact CG1-CE1 4.15Å; V169-F276 HydrophobicContact CG1-CZ 4.03Å; L171-F276 HydrophobicContact CB-CD1 3.79Å; L171-F276 HydrophobicContact CB-CD2 3.7Å; L171-F276 HydrophobicContact CB-CE1 3.79Å; L171-F276 HydrophobicContact CB-CE2 3.68Å; L171-F276 HydrophobicContact CB-CG 3.74Å; L171-F276 HydrophobicContact CB-CZ 3.72Å; L171-F276 HydrophobicContact CD1-CD2 4.39Å; L171-F276 HydrophobicContact CD1-CE2 4.01Å; L171-F276 HydrophobicContact CD2-CB 4.46Å; L171-F276 HydrophobicContact CD2-CD2 3.69Å; L171-F276 HydrophobicContact CD2-CE2 4.18Å; L171-F276 HydrophobicContact CD2-CG 4.11Å; L171-F276 HydrophobicContact CG-CD2 4.15Å; L171-F276 HydrophobicContact CG-CE2 4.19Å; S274-F276 WeakPolarHBondContact CB-O 3.46Å; S274-F276 PolarHBondContact O-N 3.34Å; S274-F276 PolarHBondContact OG-N 2.92Å; S274-F276 VanDerWaalsContact OG-N 3.08Å; S274-F276 PolarHBondContact OG-O 3.47Å; S274-F276 VanDerWaalsContact OG-O 3.13Å; F276-D278 PolarHBondContact O-N 2.85Å; F276-Y279 CarbonylContact O-C 3.6Å; F276-Y279 WeakPolarHBondContact O-CA 3.45Å; F276-Y279 PolarHBondContact O-N 3.27Å; F276-F455 HydrophobicContact CD2-CB 4.33Å; F276-F455 AromaticContact CD2-CD1 3.84Å; F276-F455 HydrophobicContact CD2-CD1 3.84Å; F276-F455 HydrophobicContact CD2-CG 4.3Å; F276-F455 AromaticContact CE2-CD1 3.76Å; F276-F455 HydrophobicContact CE2-CD1 3.76Å; F276-F455 AromaticContact CE2-CE1 3.99Å; F276-F455 HydrophobicContact CE2-CE1 3.99Å; F276-F455 HydrophobicContact CE2-CG 4.47Å |
| 277 | N | 90.6 | Very high | 94.5 | Very high | 1 Ų | 1 | 1.7 Ų | 1.7 | 1% | 0.005 | 1% | 0.009 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | -44.1 | -174.3 | -67.7 | 0.6 | 0 | 0 | 0 | 112.6 | T38 R161 Y279 S280 Y549 E644 | T38-N277 PolarHBondContact OG1-ND2 3.41Å; R161-N277 PolarHBondContact NH2-OD1 2.01Å; N277-Y279 PolarHBondContact O-N 2.88Å; N277-S280 PolarHBondContact O-OG 3.24Å; N277-S280 VanDerWaalsContact O-OG 3.09Å; N277-Y549 HydrophobicContact CB-CD1 3.83Å; N277-Y549 HydrophobicContact CB-CD2 4.37Å; N277-Y549 HydrophobicContact CB-CE1 3.66Å; N277-Y549 HydrophobicContact CB-CE2 4.23Å; N277-Y549 HydrophobicContact CB-CG 4.19Å; N277-Y549 PolarHBondContact ND2-OH 3.2Å; N277-E644 PolarHBondContact ND2-OE1 3.46Å |
| 278 | D | 90.4 | Very high | 94.4 | Very high | 18 Ų | 18 | 1.7 Ų | 1.7 | 10% | 0.096 | 1% | 0.009 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | -3.4 | 179.2 | -63.1 | -17.2 | 0 | 0 | 0 | 113.5 | Y35 F276 R545 E546 | Y35-D278 HydrophobicContact CD1-CB 3.95Å; F276-D278 PolarHBondContact O-N 2.85Å; D278-R545 CarbonylContact O-C 3.56Å; D278-R545 VanDerWaalsContact O-C 3.26Å; D278-R545 WeakPolarHBondContact O-CB 3.44Å; D278-E546 PolarHBondContact O-N 2.84Å |
| 279 | Y | 94.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 1.7 Ų | 1.7 | 0% | 0 | 1% | 0.009 | C | C | . | . | trans | -131.5 | 85.1 | 175.8 | -162.2 | -73.1 | 0 | 0 | 0 | 109.9 | Y35 F113 E115 L171 V173 S274 F276 N277 P281 F455 W513 R545 | Y35-Y279 HydrophobicContact CD1-CD2 4.28Å; Y35-Y279 AromaticContact CD2-CD2 3.74Å; Y35-Y279 HydrophobicContact CD2-CD2 3.74Å; Y35-Y279 HydrophobicContact CD2-CG 4.47Å; Y35-Y279 HydrophobicContact CE1-CD2 4.23Å; Y35-Y279 AromaticContact CE2-CD2 3.72Å; Y35-Y279 HydrophobicContact CE2-CD2 3.72Å; Y35-Y279 HydrophobicContact CE2-CE2 4.25Å; Y35-Y279 HydrophobicContact CG-CD2 4.08Å; Y35-Y279 HydrophobicContact CG-CG 4.48Å; F113-Y279 HydrophobicContact CE1-CE1 4.46Å; F113-Y279 AromaticContact CZ-CE1 3.96Å; F113-Y279 HydrophobicContact CZ-CE1 3.96Å; F113-Y279 AromaticContact CZ-CZ 3.74Å; F113-Y279 WeakPolarHBondContact CZ-OH 3.41Å; E115-Y279 PolarHBondContact OE1-OH 3.32Å; L171-Y279 HydrophobicContact CD2-CD1 3.81Å; L171-Y279 HydrophobicContact CD2-CD2 4Å; L171-Y279 HydrophobicContact CD2-CE1 4.29Å; L171-Y279 HydrophobicContact CD2-CE2 4.48Å; L171-Y279 HydrophobicContact CD2-CG 3.66Å; V173-Y279 HydrophobicContact CG1-CE2 3.77Å; S274-Y279 WeakPolarHBondContact CB-O 3.39Å; S274-Y279 PolarHBondContact OG-O 2.97Å; F276-Y279 CarbonylContact O-C 3.6Å; F276-Y279 WeakPolarHBondContact O-CA 3.45Å; F276-Y279 PolarHBondContact O-N 3.27Å; N277-Y279 PolarHBondContact O-N 2.88Å; Y279-P281 HydrophobicContact CE1-CG 4.4Å; Y279-F455 HydrophobicContact CD1-CB 3.63Å; Y279-F455 HydrophobicContact CE1-CB 4.01Å; Y279-F455 VanDerWaalsContact CE1-O 3.28Å; Y279-F455 WeakPolarHBondContact CE1-O 3.22Å; Y279-W513 HydrophobicContact CD1-CH2 4.43Å; Y279-W513 AromaticContact CE1-CH2 3.69Å; Y279-W513 HydrophobicContact CE1-CH2 3.69Å; Y279-W513 HydrophobicContact CE1-CZ2 4.35Å; Y279-W513 HydrophobicContact CE2-CH2 4.05Å; Y279-W513 AromaticContact CZ-CH2 3.45Å; Y279-W513 VanDerWaalsContact CZ-CH2 3.45Å; Y279-W513 WeakPolarHBondContact OH-CH2 3.3Å; Y279-R545 HydrophobicContact CD2-CB 3.87Å; Y279-R545 HydrophobicContact CD2-CG 4.02Å; Y279-R545 HydrophobicContact CE2-CB 4.28Å; Y279-R545 VanDerWaalsContact CE2-CD 3.43Å; Y279-R545 HydrophobicContact CE2-CG 3.93Å; Y279-R545 HydrophobicContact CG-CB 4.37Å | ||
| 280 | S | 94.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 1.2 Ų | 1.2 | 0% | 0 | 1% | 0.007 | C | C | . | . | trans | -134.9 | 70.8 | -169.2 | 49.2 | 0 | 0 | 0 | 0 | 112 | N277 R545 R547 T548 Y549 | N277-S280 PolarHBondContact O-OG 3.24Å; N277-S280 VanDerWaalsContact O-OG 3.09Å; S280-R545 PolarHBondContact N-O 3.27Å; S280-R547 WeakPolarHBondContact O-CB 3.3Å; S280-R547 PolarHBondContact OG-N 2.95Å; S280-T548 PolarHBondContact O-N 3.37Å; S280-T548 VanDerWaalsContact O-N 3.17Å; S280-T548 PolarHBondContact O-OG1 3.1Å; S280-Y549 WeakPolarHBondContact OG-CB 3.29Å; S280-Y549 PolarHBondContact OG-N 3.21Å | ||
| 281 | P | 93.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 1.2 Ų | 1.2 | 0% | 0 | 1% | 0.007 | C | C | . | . | trans | -64.2 | -43.8 | -172.4 | 25.8 | -34.5 | 0 | 0 | 0 | 113.3 | Y279 T283 D457 L458 W513 R547 | Y279-P281 HydrophobicContact CE1-CG 4.4Å; P281-T283 PolarHBondContact O-N 3.39Å; P281-D457 WeakPolarHBondContact CB-O 3.48Å; P281-D457 HydrophobicContact CG-CB 4.42Å; P281-D457 WeakPolarHBondContact CG-O 3.35Å; P281-L458 HydrophobicContact CB-CD2 4.3Å; P281-L458 HydrophobicContact CG-CD2 4.23Å; P281-W513 HydrophobicContact CB-CD2 4.49Å; P281-W513 HydrophobicContact CB-CE3 4.5Å; P281-W513 HydrophobicContact CB-CH2 3.82Å; P281-W513 HydrophobicContact CB-CZ2 3.82Å; P281-W513 HydrophobicContact CB-CZ3 4.22Å; P281-W513 HydrophobicContact CG-CH2 4.34Å; P281-R547 VanDerWaalsContact O-CD 3.31Å; P281-R547 WeakPolarHBondContact O-CD 3.49Å | ||
| 282 | G | 93.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 1.3 Ų | 1.3 | 0% | 0 | 1% | 0.007 | C | C | . | . | trans | 58.3 | 37.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | S272 T284 S285 V286 | S272-G282 WeakPolarHBondContact OG-CA 3.32Å; G282-T284 PolarHBondContact O-N 2.68Å; G282-T284 VanDerWaalsContact O-N 3.08Å; G282-S285 PolarHBondContact O-N 2.99Å; G282-S285 VanDerWaalsContact O-N 3.09Å; G282-S285 PolarHBondContact O-OG 3.38Å; G282-V286 WeakPolarHBondContact O-CG2 3.4Å; G282-V286 PolarHBondContact O-N 3.22Å | ||
| 283 | T | 92 | Very high | 94.6 | Very high | 0 Ų | 0 | 1.2 Ų | 1.2 | 0% | 0 | 1% | 0.007 | C | C | . | . | H | α-helix | trans | -55.3 | -31.3 | -176 | -60.6 | 0 | 0 | 0 | 0 | 113.2 | P281 S285 V286 G287 T371 D457 L458 P459 I462 | P281-T283 PolarHBondContact O-N 3.39Å; T283-S285 VanDerWaalsContact C-N 3.32Å; T283-S285 PolarHBondContact O-N 2.97Å; T283-V286 WeakPolarHBondContact O-CB 3.31Å; T283-V286 PolarHBondContact O-N 3.08Å; T283-G287 PolarHBondContact O-N 3.41Å; T283-G287 VanDerWaalsContact O-N 3.14Å; T283-T371 WeakPolarHBondContact O-CG2 3.48Å; T283-D457 VanDerWaalsContact CB-O 3.27Å; T283-D457 WeakPolarHBondContact CB-O 3.32Å; T283-D457 PolarHBondContact N-O 3.4Å; T283-D457 VanDerWaalsContact N-O 3.13Å; T283-D457 PolarHBondContact N-OD2 2.85Å; T283-D457 VanDerWaalsContact N-OD2 3.11Å; T283-D457 PolarHBondContact OG1-O 3.18Å; T283-L458 PolarHBondContact OG1-O 3.08Å; T283-L458 VanDerWaalsContact OG1-O 3.09Å; T283-P459 WeakPolarHBondContact OG1-CA 3.37Å; T283-P459 VanDerWaalsContact OG1-N 3.13Å; T283-I462 HydrophobicContact CG2-CG1 4.24Å; T283-I462 HydrophobicContact CG2-CG2 3.81Å |
| 284 | T | 91.6 | Very high | 94.8 | Very high | 2 Ų | 2 | 1.3 Ų | 1.3 | 1% | 0.012 | 1% | 0.007 | C | C | . | . | H | α-helix | trans | -58.7 | -39.7 | 178.4 | -50.8 | 0 | 0 | 0 | 0 | 112.8 | G282 H369 S449 Y452 D457 | G282-T284 PolarHBondContact O-N 2.68Å; G282-T284 VanDerWaalsContact O-N 3.08Å; T284-H369 HydrophobicContact CG2-CB 3.55Å; T284-H369 VanDerWaalsContact CG2-CG 3.41Å; T284-S449 PolarHBondContact OG1-OG 2.79Å; T284-Y452 HydrophobicContact CG2-CD2 4.06Å; T284-Y452 HydrophobicContact CG2-CE2 4.36Å; T284-D457 WeakPolarHBondContact CB-OD2 3.43Å; T284-D457 PolarHBondContact N-OD2 3.19Å; T284-D457 PolarHBondContact OG1-OD1 3.4Å; T284-D457 PolarHBondContact OG1-OD2 3.47Å |
| 285 | S | 94.1 | Very high | 95 | Very high | 3 Ų | 3 | 1.3 Ų | 1.3 | 2% | 0.021 | 1% | 0.008 | C | C | . | . | H | α-helix | trans | -76.1 | -39.8 | 176.2 | 64.6 | 0 | 0 | 0 | 0 | 111.6 | M270 D271 G282 T283 G287 S288 V289 | M270-S285 PolarHBondContact O-OG 3.28Å; M270-S285 VanDerWaalsContact O-OG 3.05Å; D271-S285 WeakPolarHBondContact O-CB 3.46Å; G282-S285 PolarHBondContact O-N 2.99Å; G282-S285 VanDerWaalsContact O-N 3.09Å; G282-S285 PolarHBondContact O-OG 3.38Å; T283-S285 VanDerWaalsContact C-N 3.32Å; T283-S285 PolarHBondContact O-N 2.97Å; S285-G287 VanDerWaalsContact C-N 3.29Å; S285-G287 PolarHBondContact O-N 3.49Å; S285-S288 WeakPolarHBondContact O-CB 3.44Å; S285-S288 PolarHBondContact O-N 3.09Å; S285-V289 PolarHBondContact O-N 3.2Å; S285-V289 VanDerWaalsContact O-N 3.16Å |
| 286 | V | 95.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 1.4 Ų | 1.4 | 0% | 0 | 1% | 0.008 | C | C | . | . | H | α-helix | trans | -54.8 | -42.5 | -179.6 | 171.4 | 0 | 0 | 0 | 0 | 112.2 | G282 T283 S288 V289 I290 I462 F510 R547 T548 I560 | G282-V286 WeakPolarHBondContact O-CG2 3.4Å; G282-V286 PolarHBondContact O-N 3.22Å; T283-V286 WeakPolarHBondContact O-CB 3.31Å; T283-V286 PolarHBondContact O-N 3.08Å; V286-S288 PolarHBondContact O-N 2.87Å; V286-V289 WeakPolarHBondContact O-CB 3.38Å; V286-V289 PolarHBondContact O-N 3.26Å; V286-V289 VanDerWaalsContact O-N 3.09Å; V286-I290 HydrophobicContact CG1-CD1 3.98Å; V286-I290 HydrophobicContact CG1-CG1 4.32Å; V286-I290 WeakPolarHBondContact O-CG1 3.35Å; V286-I290 PolarHBondContact O-N 2.96Å; V286-I462 HydrophobicContact CG1-CD1 4.22Å; V286-F510 HydrophobicContact CG1-CB 4.01Å; V286-F510 HydrophobicContact CG1-CD1 4.25Å; V286-F510 HydrophobicContact CG1-CD2 4.42Å; V286-F510 HydrophobicContact CG1-CG 3.98Å; V286-R547 VanDerWaalsContact CG2-CZ 3.48Å; V286-R547 VanDerWaalsContact CG2-NH2 3.34Å; V286-T548 HydrophobicContact CG2-CG2 4.3Å; V286-I560 HydrophobicContact CG2-CD1 4.26Å |
| 287 | G | 94.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 2.3 Ų | 2.3 | 0% | 0 | 1% | 0.012 | C | C | . | . | H | α-helix | trans | -56.9 | -38.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | T283 S285 I290 V291 I370 | T283-G287 PolarHBondContact O-N 3.41Å; T283-G287 VanDerWaalsContact O-N 3.14Å; S285-G287 VanDerWaalsContact C-N 3.29Å; S285-G287 PolarHBondContact O-N 3.49Å; G287-I290 PolarHBondContact O-N 2.96Å; G287-V291 PolarHBondContact O-N 3.08Å; G287-I370 CarbonylContact C-O 3.48Å; G287-I370 VanDerWaalsContact CA-O 3.3Å; G287-I370 WeakPolarHBondContact CA-O 3.35Å |
| 288 | S | 95.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 2.2 Ų | 2.2 | 0% | 0 | 1% | 0.012 | C | C | . | . | H | α-helix | trans | -71.8 | -37.9 | 176.7 | -42.9 | 0 | 0 | 0 | 0 | 111.8 | S285 V286 I290 V291 W292 H369 I370 | S285-S288 WeakPolarHBondContact O-CB 3.44Å; S285-S288 PolarHBondContact O-N 3.09Å; V286-S288 PolarHBondContact O-N 2.87Å; S288-I290 VanDerWaalsContact C-N 3.33Å; S288-I290 PolarHBondContact O-N 3.17Å; S288-V291 PolarHBondContact O-N 3.3Å; S288-W292 WeakPolarHBondContact O-CB 3.45Å; S288-W292 PolarHBondContact O-N 2.7Å; S288-H369 PolarHBondContact OG-N 3.47Å; S288-H369 VanDerWaalsContact OG-N 3.09Å; S288-I370 PolarHBondContact OG-N 3.2Å |
| 289 | V | 97.4 | Very high | 96 | Very high | 0 Ų | 0 | 1.4 Ų | 1.4 | 0% | 0 | 1% | 0.007 | C | C | . | . | H | α-helix | trans | -62.3 | -38.9 | 174.8 | 175.9 | 0 | 0 | 0 | 0 | 111.5 | M270 S285 V286 W292 L293 L321 I560 A564 | M270-V289 HydrophobicContact CB-CG2 3.79Å; S285-V289 PolarHBondContact O-N 3.2Å; S285-V289 VanDerWaalsContact O-N 3.16Å; V286-V289 WeakPolarHBondContact O-CB 3.38Å; V286-V289 PolarHBondContact O-N 3.26Å; V286-V289 VanDerWaalsContact O-N 3.09Å; V289-W292 PolarHBondContact O-N 3.18Å; V289-L293 HydrophobicContact CG1-CD1 3.79Å; V289-L293 HydrophobicContact CG1-CG 4.17Å; V289-L293 WeakPolarHBondContact O-CB 3.43Å; V289-L293 VanDerWaalsContact O-CG 3.32Å; V289-L293 WeakPolarHBondContact O-CG 3.47Å; V289-L293 PolarHBondContact O-N 3.29Å; V289-L321 HydrophobicContact CG1-CD1 4.3Å; V289-L321 HydrophobicContact CG2-CD2 4.3Å; V289-I560 HydrophobicContact CG1-CD1 4.13Å; V289-A564 HydrophobicContact CG1-CB 4.26Å |
| 290 | I | 97 | Very high | 96.1 | Very high | 0 Ų | 0 | 2.1 Ų | 2.1 | 0% | 0 | 2% | 0.015 | C | C | . | . | H | α-helix | trans | -60.8 | -47 | 176.8 | -70.1 | 169.3 | 0 | 0 | 0 | 110.9 | V286 G287 S288 W292 L293 A294 I462 F467 V503 L506 I507 F510 | V286-I290 HydrophobicContact CG1-CD1 3.98Å; V286-I290 HydrophobicContact CG1-CG1 4.32Å; V286-I290 WeakPolarHBondContact O-CG1 3.35Å; V286-I290 PolarHBondContact O-N 2.96Å; G287-I290 PolarHBondContact O-N 2.96Å; S288-I290 VanDerWaalsContact C-N 3.33Å; S288-I290 PolarHBondContact O-N 3.17Å; I290-W292 VanDerWaalsContact C-N 3.35Å; I290-L293 PolarHBondContact O-N 3.41Å; I290-A294 WeakPolarHBondContact O-CB 3.47Å; I290-A294 PolarHBondContact O-N 3.02Å; I290-I462 HydrophobicContact CD1-CD1 4.43Å; I290-I462 HydrophobicContact CD1-CG2 4.49Å; I290-F467 HydrophobicContact CB-CZ 4.28Å; I290-F467 HydrophobicContact CD1-CE1 3.89Å; I290-F467 HydrophobicContact CD1-CZ 4.18Å; I290-F467 HydrophobicContact CG2-CE1 4.26Å; I290-F467 HydrophobicContact CG2-CZ 4.3Å; I290-V503 HydrophobicContact CG2-CG1 4.37Å; I290-L506 HydrophobicContact CG2-CB 4.21Å; I290-L506 HydrophobicContact CG2-CD1 4.38Å; I290-I507 HydrophobicContact CD1-CG1 4.11Å; I290-I507 HydrophobicContact CG2-CG1 4.42Å; I290-F510 HydrophobicContact CD1-CB 4.3Å; I290-F510 HydrophobicContact CD1-CD2 3.96Å; I290-F510 HydrophobicContact CD1-CG 4.49Å; I290-F510 HydrophobicContact CG1-CD2 3.6Å; I290-F510 HydrophobicContact CG1-CE2 4.02Å |
| 291 | V | 97.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 7.7 Ų | 7.7 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -63 | -44.6 | 177.7 | 179.9 | 0 | 0 | 0 | 0 | 110.4 | G287 S288 L293 A294 V295 L367 I370 A471 L474 | G287-V291 PolarHBondContact O-N 3.08Å; S288-V291 PolarHBondContact O-N 3.3Å; V291-L293 PolarHBondContact O-N 3.14Å; V291-A294 PolarHBondContact O-N 2.87Å; V291-V295 WeakPolarHBondContact O-CG2 3.47Å; V291-V295 PolarHBondContact O-N 2.82Å; V291-L367 HydrophobicContact CB-CD1 4.09Å; V291-L367 HydrophobicContact CG1-CD1 3.79Å; V291-I370 HydrophobicContact CG2-CD1 4.36Å; V291-I370 HydrophobicContact CG2-CG2 4.33Å; V291-A471 HydrophobicContact CG2-CB 3.78Å; V291-L474 HydrophobicContact CG1-CD2 4.16Å; V291-L474 HydrophobicContact CG1-CG 4.13Å |
| 292 | W | 98.3 | Very high | 96.2 | Very high | 1 Ų | 1 | 8.5 Ų | 8.5 | 0% | 0.004 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -60.3 | -44.7 | 178.3 | -171.7 | 101.8 | 0 | 0 | 0 | 112.2 | F247 L266 A268 S288 V289 I290 V295 A296 P319 V320 L321 L367 A568 | F247-W292 HydrophobicContact CD1-CH2 4Å; F247-W292 HydrophobicContact CD1-CZ2 4.45Å; F247-W292 AromaticContact CE1-CH2 3.37Å; F247-W292 HydrophobicContact CE1-CH2 3.37Å; F247-W292 AromaticContact CE1-CZ2 3.83Å; F247-W292 HydrophobicContact CE1-CZ2 3.83Å; F247-W292 HydrophobicContact CE1-CZ3 4.11Å; F247-W292 HydrophobicContact CZ-CH2 4.31Å; L266-W292 PolarHBondContact O-NE1 3.45Å; A268-W292 HydrophobicContact CB-CB 4.42Å; S288-W292 WeakPolarHBondContact O-CB 3.45Å; S288-W292 PolarHBondContact O-N 2.7Å; V289-W292 PolarHBondContact O-N 3.18Å; I290-W292 VanDerWaalsContact C-N 3.35Å; W292-V295 PolarHBondContact O-N 3.44Å; W292-A296 HydrophobicContact CE3-CB 4.3Å; W292-A296 HydrophobicContact CZ3-CB 4.11Å; W292-A296 PolarHBondContact O-N 2.98Å; W292-P319 HydrophobicContact CH2-CB 4.35Å; W292-P319 HydrophobicContact CZ2-CB 3.4Å; W292-V320 PolarHBondContact NE1-O 2.62Å; W292-L321 HydrophobicContact CB-CD2 4.07Å; W292-L321 HydrophobicContact CD2-CD1 4.22Å; W292-L321 HydrophobicContact CD2-CD2 3.59Å; W292-L321 HydrophobicContact CD2-CG 3.77Å; W292-L321 HydrophobicContact CE3-CD1 3.81Å; W292-L321 HydrophobicContact CE3-CD2 4.03Å; W292-L321 HydrophobicContact CE3-CG 3.87Å; W292-L321 HydrophobicContact CG-CD2 3.61Å; W292-L321 HydrophobicContact CG-CG 4.32Å; W292-L321 HydrophobicContact CH2-CD1 4.22Å; W292-L321 HydrophobicContact CH2-CG 4.04Å; W292-L321 HydrophobicContact CZ2-CG 3.94Å; W292-L321 HydrophobicContact CZ3-CD1 3.83Å; W292-L321 HydrophobicContact CZ3-CG 4.03Å; W292-L367 HydrophobicContact CB-CD1 4.22Å; W292-A568 HydrophobicContact CH2-CB 4.3Å; W292-A568 HydrophobicContact CZ3-CB 4.05Å |
| 293 | L | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -65.9 | -37.9 | 177.8 | -76.2 | 171.6 | 0 | 0 | 0 | 112.1 | V289 I290 V291 V295 A296 E297 L506 F510 L567 A568 F571 | V289-L293 HydrophobicContact CG1-CD1 3.79Å; V289-L293 HydrophobicContact CG1-CG 4.17Å; V289-L293 WeakPolarHBondContact O-CB 3.43Å; V289-L293 VanDerWaalsContact O-CG 3.32Å; V289-L293 WeakPolarHBondContact O-CG 3.47Å; V289-L293 PolarHBondContact O-N 3.29Å; I290-L293 PolarHBondContact O-N 3.41Å; V291-L293 PolarHBondContact O-N 3.14Å; L293-V295 VanDerWaalsContact C-N 3.33Å; L293-A296 WeakPolarHBondContact O-CB 3.47Å; L293-A296 PolarHBondContact O-N 3.13Å; L293-E297 PolarHBondContact O-N 2.83Å; L293-L506 HydrophobicContact CB-CD1 3.86Å; L293-L506 HydrophobicContact CD1-CD2 4.22Å; L293-F510 HydrophobicContact CD1-CE2 4.02Å; L293-F510 HydrophobicContact CD1-CZ 4.2Å; L293-L567 HydrophobicContact CD1-CB 4.41Å; L293-L567 HydrophobicContact CD1-CD1 3.92Å; L293-L567 HydrophobicContact CD2-CB 3.84Å; L293-A568 HydrophobicContact CD2-CB 4.49Å; L293-F571 HydrophobicContact CB-CE2 4.23Å; L293-F571 HydrophobicContact CD2-CD2 4.45Å; L293-F571 HydrophobicContact CD2-CE2 4.5Å; L293-F571 WeakPolarHBondContact O-CD2 3.43Å |
| 294 | A | 98.2 | Very high | 96.3 | Very high | 2 Ų | 2 | 15.2 Ų | 15.2 | 2% | 0.017 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -64.9 | -38.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | I290 V291 A298 I498 V503 | I290-A294 WeakPolarHBondContact O-CB 3.47Å; I290-A294 PolarHBondContact O-N 3.02Å; V291-A294 PolarHBondContact O-N 2.87Å; A294-A298 PolarHBondContact O-N 2.75Å; A294-I498 HydrophobicContact CB-CD1 4.07Å; A294-I498 HydrophobicContact CB-CG2 4.11Å; A294-I498 WeakPolarHBondContact O-CD1 3.23Å; A294-V503 HydrophobicContact CB-CG2 3.82Å |
| 295 | V | 98.5 | Very high | 96.5 | Very high | 1 Ų | 1 | 16.6 Ų | 16.6 | 1% | 0.006 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -65.3 | -42.8 | 171.9 | 172.3 | 0 | 0 | 0 | 0 | 110.5 | L266 V291 W292 L293 E297 A298 L299 T478 L479 M482 I498 | L266-V295 HydrophobicContact CD2-CB 4.28Å; L266-V295 HydrophobicContact CD2-CG1 3.72Å; V291-V295 WeakPolarHBondContact O-CG2 3.47Å; V291-V295 PolarHBondContact O-N 2.82Å; W292-V295 PolarHBondContact O-N 3.44Å; L293-V295 VanDerWaalsContact C-N 3.33Å; V295-E297 VanDerWaalsContact C-N 3.33Å; V295-E297 PolarHBondContact O-N 3.23Å; V295-A298 PolarHBondContact O-N 3.41Å; V295-L299 HydrophobicContact CG1-CD1 3.96Å; V295-L299 HydrophobicContact CG1-CG 4.22Å; V295-L299 VanDerWaalsContact O-CG 3.28Å; V295-L299 WeakPolarHBondContact O-CG 3.49Å; V295-L299 PolarHBondContact O-N 2.92Å; V295-T478 HydrophobicContact CG1-CG2 4.44Å; V295-T478 HydrophobicContact CG2-CG2 4.16Å; V295-L479 HydrophobicContact CG1-CD2 3.9Å; V295-L479 HydrophobicContact CG1-CG 4.36Å; V295-M482 HydrophobicContact CG1-SD 4.08Å; V295-I498 HydrophobicContact CG2-CD1 4.12Å |
| 296 | A | 98.4 | Very high | 96.7 | Very high | 1 Ų | 1 | 16.5 Ų | 16.5 | 1% | 0.008 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -59.2 | -40.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | F247 W292 L293 L299 G300 V572 | F247-A296 HydrophobicContact CE1-CB 4.05Å; F247-A296 HydrophobicContact CZ-CB 3.79Å; W292-A296 HydrophobicContact CE3-CB 4.3Å; W292-A296 HydrophobicContact CZ3-CB 4.11Å; W292-A296 PolarHBondContact O-N 2.98Å; L293-A296 WeakPolarHBondContact O-CB 3.47Å; L293-A296 PolarHBondContact O-N 3.13Å; A296-L299 PolarHBondContact O-N 3.12Å; A296-G300 PolarHBondContact O-N 2.7Å; A296-V572 HydrophobicContact CB-CG2 4.24Å |
| 297 | E | 97.7 | Very high | 96.7 | Very high | 19 Ų | 19 | 19.6 Ų | 19.6 | 9% | 0.089 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -58.7 | -49.6 | 173 | -169.1 | -77.1 | 154.6 | 0 | 0 | 112.3 | L293 V295 L299 G300 R301 I502 F571 | L293-E297 PolarHBondContact O-N 2.83Å; V295-E297 VanDerWaalsContact C-N 3.33Å; V295-E297 PolarHBondContact O-N 3.23Å; E297-L299 VanDerWaalsContact C-N 3.31Å; E297-L299 PolarHBondContact O-N 3.36Å; E297-G300 PolarHBondContact O-N 3.04Å; E297-R301 PolarHBondContact O-N 3.32Å; E297-R301 VanDerWaalsContact O-N 3.09Å; E297-R301 WeakPolarHBondContact OE1-CD 3.46Å; E297-R301 WeakPolarHBondContact OE1-CG 3.38Å; E297-R301 IonicContact OE1-CZ 3.97Å; E297-R301 IonicContact OE1-NE 3.66Å; E297-R301 PolarHBondContact OE1-NE 2.81Å; E297-R301 IonicContact OE2-CZ 3.54Å; E297-R301 IonicContact OE2-NE 2.64Å; E297-R301 PolarHBondContact OE2-NE 3.21Å; E297-R301 IonicContact OE2-NH2 4Å; E297-R301 PolarHBondContact OE2-NH2 2.74Å; E297-I502 HydrophobicContact CB-CG2 4.4Å; E297-I502 HydrophobicContact CG-CG1 4.12Å; E297-I502 HydrophobicContact CG-CG2 4.22Å; E297-F571 HydrophobicContact CB-CB 4.15Å; E297-F571 HydrophobicContact CB-CD1 3.98Å; E297-F571 HydrophobicContact CB-CD2 3.96Å; E297-F571 HydrophobicContact CB-CE1 4.43Å; E297-F571 HydrophobicContact CB-CE2 4.39Å; E297-F571 HydrophobicContact CB-CG 3.76Å; E297-F571 HydrophobicContact CG-CD1 3.74Å; E297-F571 HydrophobicContact CG-CE1 4.09Å; E297-F571 HydrophobicContact CG-CG 4.06Å |
| 298 | A | 98 | Very high | 96.8 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -65.2 | -35.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | A294 V295 R301 S302 L479 P496 I498 | A294-A298 PolarHBondContact O-N 2.75Å; V295-A298 PolarHBondContact O-N 3.41Å; A298-R301 PolarHBondContact O-N 2.53Å; A298-S302 PolarHBondContact O-N 3.18Å; A298-L479 HydrophobicContact CB-CD1 3.45Å; A298-L479 VanDerWaalsContact CB-CD1 3.45Å; A298-L479 HydrophobicContact CB-CD2 3.97Å; A298-L479 HydrophobicContact CB-CG 4.36Å; A298-P496 HydrophobicContact CB-CB 4.33Å; A298-P496 HydrophobicContact CB-CG 4.42Å; A298-I498 HydrophobicContact CB-CD1 4.28Å |
| 299 | L | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65.4 | -42.7 | 173.7 | -67.7 | 174.7 | 0 | 0 | 0 | 111.7 | F247 L249 V295 A296 E297 R301 S302 T303 I306 L317 P319 L479 M482 F483 | F247-L299 HydrophobicContact CE2-CD1 4.39Å; L249-L299 HydrophobicContact CD1-CB 3.84Å; L249-L299 HydrophobicContact CD1-CD1 4.41Å; V295-L299 HydrophobicContact CG1-CD1 3.96Å; V295-L299 HydrophobicContact CG1-CG 4.22Å; V295-L299 VanDerWaalsContact O-CG 3.28Å; V295-L299 WeakPolarHBondContact O-CG 3.49Å; V295-L299 PolarHBondContact O-N 2.92Å; A296-L299 PolarHBondContact O-N 3.12Å; E297-L299 VanDerWaalsContact C-N 3.31Å; E297-L299 PolarHBondContact O-N 3.36Å; L299-R301 VanDerWaalsContact C-N 3.28Å; L299-R301 PolarHBondContact O-N 3.42Å; L299-S302 CarbonylContact O-C 3.53Å; L299-S302 PolarHBondContact O-N 3.37Å; L299-S302 VanDerWaalsContact O-N 3.09Å; L299-T303 PolarHBondContact O-N 2.63Å; L299-I306 HydrophobicContact CB-CD1 4.26Å; L299-I306 HydrophobicContact CD2-CD1 3.88Å; L299-I306 WeakPolarHBondContact O-CD1 3.21Å; L299-L317 HydrophobicContact CD2-CD1 3.69Å; L299-P319 HydrophobicContact CD1-CG 3.86Å; L299-L479 HydrophobicContact CD2-CD2 3.85Å; L299-L479 HydrophobicContact CG-CD2 4.06Å; L299-M482 HydrophobicContact CD1-CE 3.79Å; L299-M482 HydrophobicContact CD2-CE 4.36Å; L299-F483 HydrophobicContact CD2-CE2 3.91Å; L299-F483 HydrophobicContact CD2-CZ 4.43Å |
| 300 | G | 95.9 | Very high | 96.7 | Very high | 15 Ų | 15 | 26.8 Ų | 26.8 | 16% | 0.155 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.6 | -33.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | A296 E297 S302 T303 F571 | A296-G300 PolarHBondContact O-N 2.7Å; E297-G300 PolarHBondContact O-N 3.04Å; G300-S302 VanDerWaalsContact C-N 3.3Å; G300-S302 PolarHBondContact O-N 2.81Å; G300-T303 WeakPolarHBondContact O-CG2 3.47Å; G300-F571 WeakPolarHBondContact CA-O 3.36Å |
| 301 | R | 94.6 | Very high | 96.7 | Very high | 117 Ų | 117 | 33.4 Ų | 33.4 | 44% | 0.442 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -72.1 | -18.8 | 174 | -74.5 | -168.6 | -69.3 | 115.3 | 1.4 | 114.6 | E297 A298 L299 S497 | E297-R301 PolarHBondContact O-N 3.32Å; E297-R301 VanDerWaalsContact O-N 3.09Å; E297-R301 WeakPolarHBondContact OE1-CD 3.46Å; E297-R301 WeakPolarHBondContact OE1-CG 3.38Å; E297-R301 IonicContact OE1-CZ 3.97Å; E297-R301 IonicContact OE1-NE 3.66Å; E297-R301 PolarHBondContact OE1-NE 2.81Å; E297-R301 IonicContact OE2-CZ 3.54Å; E297-R301 IonicContact OE2-NE 2.64Å; E297-R301 PolarHBondContact OE2-NE 3.21Å; E297-R301 IonicContact OE2-NH2 4Å; E297-R301 PolarHBondContact OE2-NH2 2.74Å; A298-R301 PolarHBondContact O-N 2.53Å; L299-R301 VanDerWaalsContact C-N 3.28Å; L299-R301 PolarHBondContact O-N 3.42Å; R301-S497 PolarHBondContact NH2-O 2.97Å |
| 302 | S | 95.4 | Very high | 96.6 | Very high | 18 Ų | 18 | 40.8 Ų | 40.8 | 13% | 0.126 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120.5 | 28.4 | -172.5 | -65.4 | 0 | 0 | 0 | 0 | 113.4 | A298 L299 G300 T304 L305 I306 P496 | A298-S302 PolarHBondContact O-N 3.18Å; L299-S302 CarbonylContact O-C 3.53Å; L299-S302 PolarHBondContact O-N 3.37Å; L299-S302 VanDerWaalsContact O-N 3.09Å; G300-S302 VanDerWaalsContact C-N 3.3Å; G300-S302 PolarHBondContact O-N 2.81Å; S302-T304 VanDerWaalsContact C-N 3.27Å; S302-T304 PolarHBondContact O-N 3.06Å; S302-L305 PolarHBondContact O-N 3.31Å; S302-I306 VanDerWaalsContact O-CG1 3.31Å; S302-I306 WeakPolarHBondContact O-CG1 3.41Å; S302-I306 PolarHBondContact O-N 3.42Å; S302-P496 WeakPolarHBondContact OG-CB 3.31Å; S302-P496 WeakPolarHBondContact OG-CG 3.42Å |
| 303 | T | 93.9 | Very high | 96.5 | Very high | 45 Ų | 45 | 42.1 Ų | 42.1 | 28% | 0.276 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -57.2 | -36.7 | 179.4 | 49.8 | 0 | 0 | 0 | 0 | 113.2 | L299 G300 I306 N307 | L299-T303 PolarHBondContact O-N 2.63Å; G300-T303 WeakPolarHBondContact O-CG2 3.47Å; T303-I306 PolarHBondContact O-N 3.39Å; T303-N307 WeakPolarHBondContact O-CB 3.38Å; T303-N307 PolarHBondContact O-N 3.34Å; T303-N307 PolarHBondContact O-ND2 2.65Å; T303-N307 PolarHBondContact O-OD1 3.43Å |
| 304 | T | 94.4 | Very high | 96.3 | Very high | 96 Ų | 96 | 43.7 Ų | 43.7 | 59% | 0.589 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -60.8 | -50.9 | 176.8 | 50.1 | 0 | 0 | 0 | 0 | 112.2 | S302 I306 N307 E308 | S302-T304 VanDerWaalsContact C-N 3.27Å; S302-T304 PolarHBondContact O-N 3.06Å; T304-I306 VanDerWaalsContact C-N 3.34Å; T304-I306 PolarHBondContact O-N 3Å; T304-N307 WeakPolarHBondContact O-CB 3.5Å; T304-N307 PolarHBondContact O-N 3.23Å; T304-E308 WeakPolarHBondContact O-CG 3.02Å; T304-E308 PolarHBondContact O-N 3.34Å |
| 305 | L | 96 | Very high | 96.3 | Very high | 31 Ų | 31 | 46 Ų | 46 | 16% | 0.162 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63 | -40.9 | 177.3 | 178.5 | 60.1 | 0 | 0 | 0 | 111.4 | S302 N307 E308 L309 F483 V492 D494 | S302-L305 PolarHBondContact O-N 3.31Å; L305-N307 VanDerWaalsContact C-N 3.32Å; L305-N307 PolarHBondContact O-N 3.28Å; L305-E308 PolarHBondContact O-N 2.98Å; L305-L309 HydrophobicContact CD1-CD1 4.16Å; L305-L309 HydrophobicContact CD1-CG 4.14Å; L305-L309 HydrophobicContact CG-CD1 4.12Å; L305-L309 HydrophobicContact CG-CG 4.49Å; L305-L309 VanDerWaalsContact O-CG 3.32Å; L305-L309 WeakPolarHBondContact O-CG 3.29Å; L305-L309 PolarHBondContact O-N 3.42Å; L305-F483 HydrophobicContact CB-CE1 4.48Å; L305-F483 HydrophobicContact CD2-CD1 4.02Å; L305-F483 HydrophobicContact CD2-CE1 3.63Å; L305-F483 HydrophobicContact CG-CD1 4.38Å; L305-F483 HydrophobicContact CG-CE1 3.91Å; L305-V492 HydrophobicContact CD2-CG1 4.19Å; L305-D494 HydrophobicContact CD2-CB 4.45Å; L305-D494 WeakPolarHBondContact CD2-O 3.37Å |
| 306 | I | 97 | Very high | 96.2 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.5 | -43.8 | 176.2 | -66.9 | 164.6 | 0 | 0 | 0 | 110.4 | L249 L299 S302 T303 T304 L309 S310 L317 F483 L486 | L249-I306 HydrophobicContact CB-CG2 4.04Å; L249-I306 HydrophobicContact CD1-CD1 4.16Å; L299-I306 HydrophobicContact CB-CD1 4.26Å; L299-I306 HydrophobicContact CD2-CD1 3.88Å; L299-I306 WeakPolarHBondContact O-CD1 3.21Å; S302-I306 VanDerWaalsContact O-CG1 3.31Å; S302-I306 WeakPolarHBondContact O-CG1 3.41Å; S302-I306 PolarHBondContact O-N 3.42Å; T303-I306 PolarHBondContact O-N 3.39Å; T304-I306 VanDerWaalsContact C-N 3.34Å; T304-I306 PolarHBondContact O-N 3Å; I306-L309 PolarHBondContact O-N 3.18Å; I306-S310 WeakPolarHBondContact O-CB 3.25Å; I306-S310 PolarHBondContact O-N 2.88Å; I306-L317 HydrophobicContact CD1-CD1 4.47Å; I306-F483 HydrophobicContact CD1-CZ 4.12Å; I306-F483 HydrophobicContact CG1-CE1 3.87Å; I306-F483 HydrophobicContact CG1-CZ 3.77Å; I306-L486 HydrophobicContact CG1-CD1 4.25Å; I306-L486 HydrophobicContact CG2-CD1 4.12Å |
| 307 | N | 95.9 | Very high | 96.2 | Very high | 65 Ų | 65 | 45.9 Ų | 45.9 | 35% | 0.348 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63 | -44.2 | 177.8 | -66.3 | -11.6 | 0 | 0 | 0 | 111.7 | P250 T303 T304 L305 S310 N311 | P250-N307 WeakPolarHBondContact CB-OD1 3.47Å; T303-N307 WeakPolarHBondContact O-CB 3.38Å; T303-N307 PolarHBondContact O-N 3.34Å; T303-N307 PolarHBondContact O-ND2 2.65Å; T303-N307 PolarHBondContact O-OD1 3.43Å; T304-N307 WeakPolarHBondContact O-CB 3.5Å; T304-N307 PolarHBondContact O-N 3.23Å; L305-N307 VanDerWaalsContact C-N 3.32Å; L305-N307 PolarHBondContact O-N 3.28Å; N307-S310 PolarHBondContact O-N 3.13Å; N307-N311 VanDerWaalsContact O-CB 3.32Å; N307-N311 WeakPolarHBondContact O-CB 3.42Å; N307-N311 PolarHBondContact O-N 3.44Å; N307-N311 PolarHBondContact O-ND2 3.21Å |
| 308 | E | 95.9 | Very high | 96.3 | Very high | 132 Ų | 132 | 45 Ų | 45 | 62% | 0.617 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -60.9 | -47.3 | 177.6 | -72.7 | 176.3 | -174.4 | 0 | 0 | 112.2 | T304 L305 K312 | T304-E308 WeakPolarHBondContact O-CG 3.02Å; T304-E308 PolarHBondContact O-N 3.34Å; L305-E308 PolarHBondContact O-N 2.98Å; E308-K312 PolarHBondContact O-N 2.95Å |
| 309 | L | 96.7 | Very high | 96.3 | Very high | 18 Ų | 18 | 45 Ų | 45 | 9% | 0.094 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.6 | -44.6 | 178.1 | -67.8 | 177 | 0 | 0 | 0 | 111.2 | L305 I306 K312 T313 F483 L486 N487 V492 | L305-L309 HydrophobicContact CD1-CD1 4.16Å; L305-L309 HydrophobicContact CD1-CG 4.14Å; L305-L309 HydrophobicContact CG-CD1 4.12Å; L305-L309 HydrophobicContact CG-CG 4.49Å; L305-L309 VanDerWaalsContact O-CG 3.32Å; L305-L309 WeakPolarHBondContact O-CG 3.29Å; L305-L309 PolarHBondContact O-N 3.42Å; I306-L309 PolarHBondContact O-N 3.18Å; L309-K312 WeakPolarHBondContact O-CB 3.19Å; L309-K312 PolarHBondContact O-N 3.25Å; L309-T313 PolarHBondContact O-N 3.11Å; L309-T313 PolarHBondContact O-OG1 2.83Å; L309-T313 VanDerWaalsContact O-OG1 3.04Å; L309-F483 HydrophobicContact CD1-CD1 3.88Å; L309-F483 HydrophobicContact CD1-CE1 4.47Å; L309-L486 HydrophobicContact CB-CB 4.4Å; L309-L486 HydrophobicContact CD1-CB 4.41Å; L309-N487 HydrophobicContact CD2-CB 3.95Å; L309-V492 HydrophobicContact CD1-CG1 4.48Å; L309-V492 HydrophobicContact CD1-CG2 4.05Å |
| 310 | S | 96.1 | Very high | 96.3 | Very high | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.014 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.3 | -42.1 | 179.2 | -173.2 | 0 | 0 | 0 | 0 | 112 | P250 I306 N307 K312 T313 N314 R315 | P250-S310 WeakPolarHBondContact CD-OG 3.32Å; P250-S310 WeakPolarHBondContact CG-OG 3.36Å; I306-S310 WeakPolarHBondContact O-CB 3.25Å; I306-S310 PolarHBondContact O-N 2.88Å; N307-S310 PolarHBondContact O-N 3.13Å; S310-K312 PolarHBondContact O-N 3.15Å; S310-T313 PolarHBondContact O-N 2.72Å; S310-N314 WeakPolarHBondContact O-CA 3.03Å; S310-N314 PolarHBondContact O-N 3.33Å; S310-R315 VanDerWaalsContact CB-O 3.22Å; S310-R315 WeakPolarHBondContact CB-O 3.16Å; S310-R315 PolarHBondContact OG-O 2.8Å |
| 311 | N | 95.2 | Very high | 96.4 | Very high | 138 Ų | 138 | 44.3 Ų | 44.3 | 74% | 0.738 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -61.1 | -29.9 | 176.8 | -76.1 | -21.4 | 0 | 0 | 0 | 112.5 | N307 | N307-N311 VanDerWaalsContact O-CB 3.32Å; N307-N311 WeakPolarHBondContact O-CB 3.42Å; N307-N311 PolarHBondContact O-N 3.44Å; N307-N311 PolarHBondContact O-ND2 3.21Å |
| 312 | K | 95.5 | Very high | 96.6 | Very high | 156 Ų | 156 | 38.8 Ų | 38.8 | 68% | 0.678 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -79.4 | -38.7 | 178.3 | -178.7 | -175 | 172.1 | -165.3 | 0 | 112.8 | E308 L309 S310 | E308-K312 PolarHBondContact O-N 2.95Å; L309-K312 WeakPolarHBondContact O-CB 3.19Å; L309-K312 PolarHBondContact O-N 3.25Å; S310-K312 PolarHBondContact O-N 3.15Å |
| 313 | T | 96 | Very high | 96.7 | Very high | 29 Ų | 29 | 37.9 Ų | 37.9 | 18% | 0.178 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -110.9 | -10.2 | -169.6 | 63.4 | 0 | 0 | 0 | 0 | 114.4 | L309 S310 R315 L486 N488 | L309-T313 PolarHBondContact O-N 3.11Å; L309-T313 PolarHBondContact O-OG1 2.83Å; L309-T313 VanDerWaalsContact O-OG1 3.04Å; S310-T313 PolarHBondContact O-N 2.72Å; T313-R315 PolarHBondContact O-N 3.36Å; T313-R315 WeakPolarHBondContact OG1-CB 3.43Å; T313-R315 PolarHBondContact OG1-N 2.99Å; T313-L486 WeakPolarHBondContact CB-O 3.49Å; T313-L486 VanDerWaalsContact CG2-O 3.24Å; T313-L486 WeakPolarHBondContact CG2-O 3.41Å; T313-L486 PolarHBondContact OG1-O 2.9Å; T313-N488 HydrophobicContact CG2-CB 4.08Å |
| 314 | N | 95.7 | Very high | 96.8 | Very high | 32 Ų | 32 | 35.8 Ų | 35.8 | 17% | 0.171 | 18% | 0.18 | C | C | . | . | trans | 55.8 | 28.5 | -169.9 | -154.4 | 19.2 | 0 | 0 | 0 | 114.4 | R252 Q259 S262 S310 H316 | R252-N314 PolarHBondContact NH2-OD1 3.18Å; Q259-N314 VanDerWaalsContact CG-ND2 3.34Å; Q259-N314 WeakPolarHBondContact CG-ND2 3.41Å; Q259-N314 PolarHBondContact NE2-ND2 3.26Å; Q259-N314 PolarHBondContact OE1-ND2 3.16Å; S262-N314 WeakPolarHBondContact CB-O 3.3Å; S310-N314 WeakPolarHBondContact O-CA 3.03Å; S310-N314 PolarHBondContact O-N 3.33Å; N314-H316 PolarHBondContact O-CD2 2.9Å | ||
| 315 | R | 97.2 | Very high | 96.9 | Very high | 50 Ų | 50 | 31.4 Ų | 31.4 | 19% | 0.189 | 15% | 0.153 | C | C | . | . | trans | -99.6 | 148.2 | -179.7 | -70.2 | -175.5 | 178 | -142 | -3.6 | 111.4 | S262 S310 T313 W485 L486 N488 | S262-R315 CarbonylContact O-C 3.57Å; S262-R315 WeakPolarHBondContact O-CA 3.39Å; S310-R315 VanDerWaalsContact CB-O 3.22Å; S310-R315 WeakPolarHBondContact CB-O 3.16Å; S310-R315 PolarHBondContact OG-O 2.8Å; T313-R315 PolarHBondContact O-N 3.36Å; T313-R315 WeakPolarHBondContact OG1-CB 3.43Å; T313-R315 PolarHBondContact OG1-N 2.99Å; R315-W485 HydrophobicContact CB-CE3 4.27Å; R315-W485 HydrophobicContact CB-CH2 3.95Å; R315-W485 HydrophobicContact CB-CZ3 3.57Å; R315-W485 WeakPolarHBondContact CD-O 3.4Å; R315-W485 HydrophobicContact CG-CH2 3.98Å; R315-W485 HydrophobicContact CG-CZ3 4.01Å; R315-W485 PolarHBondContact NH1-O 2.93Å; R315-L486 HydrophobicContact CB-CD2 3.97Å; R315-L486 VanDerWaalsContact O-CD2 3.31Å; R315-L486 WeakPolarHBondContact O-CD2 3.48Å; R315-N488 VanDerWaalsContact CZ-OD1 3.29Å; R315-N488 PolarHBondContact NE-OD1 3.1Å; R315-N488 PolarHBondContact NH2-OD1 3.25Å | ||
| 316 | H | 97.6 | Very high | 96.9 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 153.3 | -175.1 | -60.2 | -89.3 | 0 | 0 | 0 | 111.5 | I248 L249 P250 R252 F258 S262 I263 F264 N314 W485 | I248-H316 HydrophobicContact CG2-CB 4.2Å; L249-H316 WeakPolarHBondContact O-CA 3.1Å; P250-H316 WeakPolarHBondContact CD-ND1 3.46Å; P250-H316 PolarHBondContact O-ND1 3.06Å; R252-H316 PolarHBondContact NE-CE1 3.2Å; R252-H316 VanDerWaalsContact NE-CE1 3.33Å; R252-H316 PolarHBondContact NE-NE2 3.02Å; F258-H316 AromaticContact CD1-CD2 3.55Å; F258-H316 AromaticContact CD1-NE2 3.77Å; F258-H316 HydrophobicContact CE1-CB 4.39Å; F258-H316 AromaticContact CE1-CD2 3.7Å; F258-H316 AromaticContact CE1-CE1 3.99Å; F258-H316 AromaticContact CE1-CG 3.74Å; F258-H316 AromaticContact CE1-ND1 3.91Å; F258-H316 AromaticContact CE1-NE2 3.85Å; S262-H316 PolarHBondContact O-N 2.97Å; I263-H316 WeakPolarHBondContact CA-O 3.41Å; I263-H316 HydrophobicContact CG1-CB 4.2Å; F264-H316 PolarHBondContact N-O 3.36Å; N314-H316 PolarHBondContact O-CD2 2.9Å; H316-W485 WeakPolarHBondContact O-CZ3 2.93Å |
| 317 | L | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 135.5 | 172.7 | -59 | 175.4 | 0 | 0 | 0 | 109.3 | I248 L249 F264 L299 I306 M482 W485 L486 | I248-L317 CarbonylContact C-O 3.55Å; I248-L317 WeakPolarHBondContact CA-O 3.43Å; L249-L317 HydrophobicContact CB-CB 4.49Å; L249-L317 PolarHBondContact N-O 3.1Å; L249-L317 PolarHBondContact O-N 2.98Å; F264-L317 HydrophobicContact CB-CD2 3.92Å; F264-L317 HydrophobicContact CD1-CD2 4.46Å; F264-L317 HydrophobicContact CG-CD2 4.39Å; L299-L317 HydrophobicContact CD2-CD1 3.69Å; I306-L317 HydrophobicContact CD1-CD1 4.47Å; L317-M482 HydrophobicContact CB-CE 4.11Å; L317-M482 HydrophobicContact CD1-CB 4.43Å; L317-M482 HydrophobicContact CD1-CE 3.81Å; L317-M482 HydrophobicContact CD2-CB 4Å; L317-M482 HydrophobicContact CD2-CE 3.83Å; L317-M482 HydrophobicContact CD2-CG 4.37Å; L317-M482 HydrophobicContact CG-CE 4.11Å; L317-W485 HydrophobicContact CD2-CE3 4.49Å; L317-L486 HydrophobicContact CD1-CD1 3.43Å; L317-L486 VanDerWaalsContact CD1-CD1 3.43Å; L317-L486 HydrophobicContact CD1-CG 4.14Å; L317-L486 HydrophobicContact CD2-CD1 4.04Å; L317-L486 HydrophobicContact CD2-CD2 4.17Å; L317-L486 HydrophobicContact CD2-CG 3.76Å; L317-L486 HydrophobicContact CG-CD1 3.66Å; L317-L486 HydrophobicContact CG-CD2 4.01Å; L317-L486 HydrophobicContact CG-CG 3.83Å |
| 318 | M | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 84.7 | 176.2 | -176.6 | -176.9 | 166.3 | 0 | 0 | 111.1 | F246 F247 I248 I263 F264 L265 L266 M335 M339 F344 | F246-M318 HydrophobicContact CB-CE 4.44Å; F246-M318 HydrophobicContact CD2-CE 3.67Å; F246-M318 HydrophobicContact CE2-CE 4.18Å; F246-M318 HydrophobicContact CG-CE 4.2Å; F247-M318 WeakPolarHBondContact O-CA 3.47Å; I248-M318 HydrophobicContact CG1-CB 4.4Å; I248-M318 HydrophobicContact CG1-CG 4.06Å; I248-M318 HydrophobicContact CG1-SD 4.49Å; I263-M318 HydrophobicContact CG2-CB 3.52Å; I263-M318 HydrophobicContact CG2-SD 4.3Å; F264-M318 PolarHBondContact O-N 3.47Å; L265-M318 VanDerWaalsContact CA-O 3.31Å; L265-M318 WeakPolarHBondContact CA-O 3.37Å; L265-M318 HydrophobicContact CD1-CE 4.44Å; L265-M318 HydrophobicContact CD1-SD 4.24Å; L266-M318 PolarHBondContact N-O 3.47Å; L266-M318 VanDerWaalsContact N-O 3.08Å; M318-M335 HydrophobicContact CE-CE 3.98Å; M318-M335 HydrophobicContact CE-SD 3.95Å; M318-M339 HydrophobicContact CE-CE 4.09Å; M318-M339 HydrophobicContact SD-CE 4.49Å; M318-F344 HydrophobicContact CE-CE1 3.5Å; M318-F344 VanDerWaalsContact CE-CE1 3.5Å; M318-F344 HydrophobicContact CE-CZ 3.44Å; M318-F344 VanDerWaalsContact CE-CZ 3.44Å; M318-F344 HydrophobicContact SD-CE1 4.42Å |
| 319 | P | 98.6 | Very high | 96.9 | Very high | 1 Ų | 1 | 21.7 Ų | 21.7 | 1% | 0.006 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 137 | 168.1 | -23.3 | 38.7 | 0 | 0 | 0 | 111.3 | F246 F247 L266 W292 L299 M482 | F246-P319 VanDerWaalsContact CA-O 3.24Å; F246-P319 WeakPolarHBondContact CA-O 3.41Å; F246-P319 WeakPolarHBondContact CB-O 3.32Å; F247-P319 HydrophobicContact CD2-CG 4.18Å; F247-P319 HydrophobicContact CE1-CB 3.93Å; F247-P319 HydrophobicContact CE1-CG 4.31Å; F247-P319 HydrophobicContact CE2-CB 3.97Å; F247-P319 HydrophobicContact CE2-CG 3.43Å; F247-P319 VanDerWaalsContact CE2-CG 3.43Å; F247-P319 HydrophobicContact CZ-CB 3.59Å; F247-P319 HydrophobicContact CZ-CG 3.5Å; F247-P319 VanDerWaalsContact CZ-CG 3.5Å; F247-P319 PolarHBondContact N-O 2.78Å; F247-P319 VanDerWaalsContact N-O 3.16Å; F247-P319 WeakPolarHBondContact O-CD 3.22Å; L266-P319 HydrophobicContact CB-CB 4.4Å; L266-P319 CarbonylContact O-C 3.55Å; L266-P319 WeakPolarHBondContact O-CA 3.43Å; W292-P319 HydrophobicContact CH2-CB 4.35Å; W292-P319 HydrophobicContact CZ2-CB 3.4Å; L299-P319 HydrophobicContact CD1-CG 3.86Å; P319-M482 HydrophobicContact CG-CE 4.38Å |
| 320 | V | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 140.4 | 177.6 | 59 | 0 | 0 | 0 | 0 | 112.5 | V245 F246 L265 L266 A267 A268 W292 F322 M335 | V245-V320 CarbonylContact O-C 3.48Å; V245-V320 WeakPolarHBondContact O-CA 3.48Å; F246-V320 HydrophobicContact CB-CB 3.85Å; F246-V320 HydrophobicContact CB-CG2 3.91Å; L265-V320 HydrophobicContact CD1-CG1 4.29Å; L265-V320 HydrophobicContact CD2-CG1 3.52Å; L265-V320 HydrophobicContact CG-CG1 3.91Å; L266-V320 PolarHBondContact O-N 2.8Å; A267-V320 CarbonylContact C-O 3.59Å; A267-V320 WeakPolarHBondContact CA-O 3.39Å; A267-V320 HydrophobicContact CB-CG1 4.1Å; A268-V320 PolarHBondContact N-O 3.28Å; W292-V320 PolarHBondContact NE1-O 2.62Å; V320-F322 HydrophobicContact CB-CZ 4.42Å; V320-F322 HydrophobicContact CG1-CD2 4.32Å; V320-F322 HydrophobicContact CG1-CE1 4.35Å; V320-F322 HydrophobicContact CG1-CE2 3.61Å; V320-F322 HydrophobicContact CG1-CZ 3.63Å; V320-F322 HydrophobicContact CG2-CD1 3.99Å; V320-F322 HydrophobicContact CG2-CD2 4.46Å; V320-F322 HydrophobicContact CG2-CE1 3.7Å; V320-F322 HydrophobicContact CG2-CE2 4.23Å; V320-F322 HydrophobicContact CG2-CG 4.37Å; V320-F322 HydrophobicContact CG2-CZ 3.84Å; V320-M335 HydrophobicContact CG2-CE 4.42Å; V320-M335 HydrophobicContact CG2-SD 4.29Å |
| 321 | L | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 118.5 | 166.5 | -65.4 | 178.3 | 0 | 0 | 0 | 109.5 | N244 V245 A268 M270 V289 W292 A564 | N244-L321 VanDerWaalsContact CA-O 3.3Å; N244-L321 WeakPolarHBondContact CA-O 3.31Å; N244-L321 WeakPolarHBondContact CB-O 3.21Å; V245-L321 HydrophobicContact CB-CB 4.35Å; V245-L321 PolarHBondContact N-O 3.27Å; V245-L321 PolarHBondContact O-N 3.42Å; A268-L321 HydrophobicContact CB-CD2 3.79Å; A268-L321 CarbonylContact O-C 3.53Å; A268-L321 VanDerWaalsContact O-CA 3.3Å; A268-L321 WeakPolarHBondContact O-CA 3.47Å; M270-L321 HydrophobicContact CE-CB 4.11Å; M270-L321 WeakPolarHBondContact CE-O 3.22Å; M270-L321 HydrophobicContact SD-CB 4.06Å; V289-L321 HydrophobicContact CG1-CD1 4.3Å; V289-L321 HydrophobicContact CG2-CD2 4.3Å; W292-L321 HydrophobicContact CB-CD2 4.07Å; W292-L321 HydrophobicContact CD2-CD1 4.22Å; W292-L321 HydrophobicContact CD2-CD2 3.59Å; W292-L321 HydrophobicContact CD2-CG 3.77Å; W292-L321 HydrophobicContact CE3-CD1 3.81Å; W292-L321 HydrophobicContact CE3-CD2 4.03Å; W292-L321 HydrophobicContact CE3-CG 3.87Å; W292-L321 HydrophobicContact CG-CD2 3.61Å; W292-L321 HydrophobicContact CG-CG 4.32Å; W292-L321 HydrophobicContact CH2-CD1 4.22Å; W292-L321 HydrophobicContact CH2-CG 4.04Å; W292-L321 HydrophobicContact CZ2-CG 3.94Å; W292-L321 HydrophobicContact CZ3-CD1 3.83Å; W292-L321 HydrophobicContact CZ3-CG 4.03Å; L321-A564 HydrophobicContact CD1-CB 3.68Å |
| 322 | F | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 135.5 | 178.6 | -66 | -67.4 | 0 | 0 | 0 | 111.9 | N244 A267 A268 M270 V320 E325 M335 S424 F428 | N244-F322 HydrophobicContact CB-CD1 4.48Å; N244-F322 WeakPolarHBondContact OD1-CA 3.3Å; A267-F322 HydrophobicContact CB-CD2 4.11Å; A267-F322 HydrophobicContact CB-CE2 3.69Å; A268-F322 PolarHBondContact O-N 3.39Å; M270-F322 WeakPolarHBondContact CG-O 3.36Å; M270-F322 PolarHBondContact N-O 3.3Å; V320-F322 HydrophobicContact CB-CZ 4.42Å; V320-F322 HydrophobicContact CG1-CD2 4.32Å; V320-F322 HydrophobicContact CG1-CE1 4.35Å; V320-F322 HydrophobicContact CG1-CE2 3.61Å; V320-F322 HydrophobicContact CG1-CZ 3.63Å; V320-F322 HydrophobicContact CG2-CD1 3.99Å; V320-F322 HydrophobicContact CG2-CD2 4.46Å; V320-F322 HydrophobicContact CG2-CE1 3.7Å; V320-F322 HydrophobicContact CG2-CE2 4.23Å; V320-F322 HydrophobicContact CG2-CG 4.37Å; V320-F322 HydrophobicContact CG2-CZ 3.84Å; F322-E325 HydrophobicContact CB-CG 3.64Å; F322-M335 HydrophobicContact CE1-CB 4.15Å; F322-M335 HydrophobicContact CE1-CE 3.47Å; F322-M335 VanDerWaalsContact CE1-CE 3.47Å; F322-M335 HydrophobicContact CE1-SD 3.81Å; F322-M335 HydrophobicContact CZ-CE 3.38Å; F322-M335 HydrophobicContact CZ-SD 4.31Å; F322-S424 VanDerWaalsContact CD2-CB 3.44Å; F322-S424 VanDerWaalsContact CD2-OG 3.22Å; F322-S424 WeakPolarHBondContact CD2-OG 3.25Å; F322-F428 HydrophobicContact CE2-CE2 4.31Å; F322-F428 AromaticContact CZ-CE2 3.88Å; F322-F428 HydrophobicContact CZ-CE2 3.88Å; F322-F428 AromaticContact CZ-CZ 3.98Å; F322-F428 HydrophobicContact CZ-CZ 3.98Å |
| 323 | H | 96.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 7.3 Ų | 7.3 | 0% | 0 | 4% | 0.037 | C | C | . | . | S | Bend | trans | -106.2 | 149 | 173.3 | -146.4 | -56.7 | 0 | 0 | 0 | 111.1 | E242 N244 M270 G331 I550 S558 A622 | E242-H323 HydrophobicContact CB-CB 4.21Å; N244-H323 PolarHBondContact OD1-N 3.27Å; M270-H323 HydrophobicContact CE-CB 3.58Å; M270-H323 HydrophobicContact CG-CB 4.39Å; H323-G331 WeakPolarHBondContact O-CA 3.39Å; H323-G331 PolarHBondContact O-N 3.28Å; H323-I550 WeakPolarHBondContact ND1-CB 3.39Å; H323-S558 PolarHBondContact NE2-OG 3.04Å; H323-A622 HydrophobicContact CB-CB 3.92Å |
| 324 | G | 96 | Very high | 97.2 | Very high | 0 Ų | 0 | 7.5 Ų | 7.5 | 0% | 0 | 4% | 0.035 | C | C | . | . | trans | 72.9 | 21.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115 | D271 A326 F327 I330 | D271-G324 PolarHBondContact OD1-N 3.16Å; D271-G324 VanDerWaalsContact OD2-C 3.25Å; D271-G324 WeakPolarHBondContact OD2-CA 3.4Å; D271-G324 PolarHBondContact OD2-N 3.05Å; G324-A326 PolarHBondContact O-N 2.59Å; G324-F327 PolarHBondContact O-N 3.3Å; G324-I330 WeakPolarHBondContact O-CB 3.34Å; G324-I330 WeakPolarHBondContact O-CG1 3.13Å; G324-I330 PolarHBondContact O-N 3.08Å | ||
| 325 | E | 97.3 | Very high | 97.3 | Very high | 4 Ų | 4 | 6 Ų | 6 | 2% | 0.019 | 3% | 0.027 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -26.3 | 175.2 | -62.5 | -57.1 | 101.4 | 0 | 0 | 112.4 | R269 D271 F322 F327 Y329 G331 S332 S424 | R269-E325 HydrophobicContact CB-CB 4.09Å; R269-E325 HydrophobicContact CB-CG 4.02Å; D271-E325 PolarHBondContact OD1-N 3.05Å; D271-E325 PolarHBondContact OD2-N 2.96Å; F322-E325 HydrophobicContact CB-CG 3.64Å; E325-F327 PolarHBondContact O-N 3.3Å; E325-Y329 PolarHBondContact O-N 2.67Å; E325-Y329 WeakPolarHBondContact OE2-CD1 3.22Å; E325-G331 PolarHBondContact OE1-N 3.33Å; E325-S332 VanDerWaalsContact CD-OG 3.26Å; E325-S332 WeakPolarHBondContact OE1-CB 3.41Å; E325-S332 PolarHBondContact OE1-N 2.89Å; E325-S332 PolarHBondContact OE1-OG 3.2Å; E325-S332 VanDerWaalsContact OE1-OG 3.13Å; E325-S332 VanDerWaalsContact OE2-CB 3.28Å; E325-S332 WeakPolarHBondContact OE2-CB 3.43Å; E325-S332 PolarHBondContact OE2-OG 2.97Å; E325-S424 VanDerWaalsContact OE2-CA 3.32Å; E325-S424 WeakPolarHBondContact OE2-CA 3.38Å; E325-S424 WeakPolarHBondContact OE2-CB 3.3Å; E325-S424 PolarHBondContact OE2-OG 3.15Å |
| 326 | A | 95.8 | Very high | 97.3 | Very high | 4 Ų | 4 | 3.8 Ų | 3.8 | 3% | 0.033 | 2% | 0.019 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -19.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | D271 L273 G324 | D271-A326 WeakPolarHBondContact OD2-CB 3.37Å; D271-A326 PolarHBondContact OD2-N 3.44Å; L273-A326 HydrophobicContact CB-CB 4.23Å; L273-A326 HydrophobicContact CD2-CB 4.09Å; L273-A326 HydrophobicContact CG-CB 4.35Å; G324-A326 PolarHBondContact O-N 2.59Å |
| 327 | F | 95.6 | Very high | 97.3 | Very high | 1 Ų | 1 | 5.5 Ų | 5.5 | 0% | 0.004 | 3% | 0.025 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | 55.9 | -175.8 | -71.9 | -79.8 | 0 | 0 | 0 | 111.4 | L40 L240 L273 G324 E325 I330 Y549 I550 S640 W642 | L40-F327 HydrophobicContact CD1-CD1 4.48Å; L40-F327 HydrophobicContact CD1-CE1 3.58Å; L40-F327 HydrophobicContact CD1-CZ 4.17Å; L240-F327 HydrophobicContact CD1-CB 4.15Å; L240-F327 HydrophobicContact CD1-CD1 3.8Å; L240-F327 HydrophobicContact CD1-CD2 4.01Å; L240-F327 HydrophobicContact CD1-CE1 4.21Å; L240-F327 HydrophobicContact CD1-CE2 4.38Å; L240-F327 HydrophobicContact CD1-CG 3.7Å; L240-F327 HydrophobicContact CD1-CZ 4.48Å; L273-F327 HydrophobicContact CB-CE2 3.88Å; L273-F327 HydrophobicContact CB-CZ 3.75Å; L273-F327 HydrophobicContact CD2-CZ 4.39Å; G324-F327 PolarHBondContact O-N 3.3Å; E325-F327 PolarHBondContact O-N 3.3Å; F327-I330 HydrophobicContact CB-CD1 3.59Å; F327-I330 HydrophobicContact CB-CG1 4.13Å; F327-I330 WeakPolarHBondContact O-CG1 3.37Å; F327-Y549 HydrophobicContact CE2-CD2 4.03Å; F327-Y549 AromaticContact CE2-CE2 3.71Å; F327-Y549 HydrophobicContact CE2-CE2 3.71Å; F327-Y549 HydrophobicContact CZ-CD2 4.27Å; F327-Y549 AromaticContact CZ-CE2 3.65Å; F327-Y549 HydrophobicContact CZ-CE2 3.65Å; F327-I550 HydrophobicContact CD2-CG2 3.4Å; F327-I550 VanDerWaalsContact CD2-CG2 3.4Å; F327-I550 HydrophobicContact CE2-CG2 3.79Å; F327-I550 HydrophobicContact CG-CG2 4.34Å; F327-S640 WeakPolarHBondContact O-CB 3.33Å; F327-S640 PolarHBondContact O-OG 2.94Å; F327-W642 HydrophobicContact CB-CG 4.26Å; F327-W642 HydrophobicContact CD1-CB 4.48Å; F327-W642 HydrophobicContact CD1-CD2 4.22Å; F327-W642 HydrophobicContact CD1-CG 4Å |
| 328 | D | 96 | Very high | 97.2 | Very high | 14 Ų | 14 | 5.7 Ų | 5.7 | 8% | 0.075 | 3% | 0.026 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.6 | 47.6 | -179.8 | -60.1 | -54.5 | 0 | 0 | 0 | 113.6 | S133 H136 I330 S640 W642 | S133-D328 WeakPolarHBondContact CA-OD1 3.24Å; S133-D328 PolarHBondContact OG-N 3.02Å; H136-D328 HydrophobicContact CB-CB 3.79Å; H136-D328 IonicContact CE1-OD1 2.65Å; H136-D328 IonicContact CE1-OD2 2.77Å; H136-D328 PolarHBondContact CE1-OD2 3.11Å; H136-D328 IonicContact CG-OD1 2.76Å; H136-D328 WeakPolarHBondContact ND1-CB 3.39Å; H136-D328 IonicContact ND1-OD1 3.22Å; H136-D328 PolarHBondContact ND1-OD1 2.95Å; H136-D328 IonicContact ND1-OD2 3.74Å; H136-D328 PolarHBondContact ND1-OD2 2.96Å; H136-D328 VanDerWaalsContact ND1-OD2 3.12Å; D328-I330 PolarHBondContact O-N 2.72Å; D328-S640 WeakPolarHBondContact O-CB 3.41Å; D328-W642 PolarHBondContact OD2-NE1 3.13Å |
| 329 | Y | 97.4 | Very high | 97.1 | Very high | 5 Ų | 5 | 5.8 Ų | 5.8 | 2% | 0.02 | 3% | 0.027 | C | C | . | . | S | Bend | trans | 60 | 43.5 | 170 | -48.4 | -70.7 | 0 | 0 | 0 | 114.1 | H136 D137 E325 G331 S333 S423 S427 | H136-Y329 HydrophobicContact CB-CD2 4.28Å; H136-Y329 VanDerWaalsContact O-CD2 3.25Å; H136-Y329 WeakPolarHBondContact O-CD2 3.39Å; H136-Y329 VanDerWaalsContact O-CE2 3.29Å; H136-Y329 WeakPolarHBondContact O-CE2 3.43Å; D137-Y329 HydrophobicContact CB-CE2 4.11Å; E325-Y329 PolarHBondContact O-N 2.67Å; E325-Y329 WeakPolarHBondContact OE2-CD1 3.22Å; Y329-G331 PolarHBondContact O-N 3.24Å; Y329-S333 WeakPolarHBondContact O-CB 3.22Å; Y329-S333 PolarHBondContact O-N 2.92Å; Y329-S333 PolarHBondContact O-OG 3.47Å; Y329-S423 VanDerWaalsContact CE1-O 3.23Å; Y329-S423 WeakPolarHBondContact CE1-O 3.31Å; Y329-S427 WeakPolarHBondContact CB-OG 3.34Å |
| 330 | I | 97.1 | Very high | 97 | Very high | 2 Ų | 2 | 9.7 Ų | 9.7 | 1% | 0.01 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -56 | -50.1 | -175.2 | -63.6 | -179.4 | 0 | 0 | 0 | 111.1 | L240 G324 F327 D328 S333 R334 I550 A622 S640 | L240-I330 HydrophobicContact CB-CD1 3.86Å; L240-I330 HydrophobicContact CD1-CD1 4.35Å; G324-I330 WeakPolarHBondContact O-CB 3.34Å; G324-I330 WeakPolarHBondContact O-CG1 3.13Å; G324-I330 PolarHBondContact O-N 3.08Å; F327-I330 HydrophobicContact CB-CD1 3.59Å; F327-I330 HydrophobicContact CB-CG1 4.13Å; F327-I330 WeakPolarHBondContact O-CG1 3.37Å; D328-I330 PolarHBondContact O-N 2.72Å; I330-S333 PolarHBondContact O-OG 2.86Å; I330-R334 VanDerWaalsContact O-CB 3.25Å; I330-R334 WeakPolarHBondContact O-CB 3.32Å; I330-R334 PolarHBondContact O-N 2.91Å; I330-I550 HydrophobicContact CD1-CD1 4.31Å; I330-I550 HydrophobicContact CG2-CD1 4.34Å; I330-A622 WeakPolarHBondContact CG2-O 3.41Å; I330-S640 WeakPolarHBondContact CG1-OG 3.29Å |
| 331 | G | 97 | Very high | 96.7 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -72.2 | -50.9 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | N244 H323 E325 Y329 R334 M335 | N244-G331 PolarHBondContact ND2-O 3.38Å; N244-G331 WeakPolarHBondContact OD1-CA 3.32Å; H323-G331 WeakPolarHBondContact O-CA 3.39Å; H323-G331 PolarHBondContact O-N 3.28Å; E325-G331 PolarHBondContact OE1-N 3.33Å; Y329-G331 PolarHBondContact O-N 3.24Å; G331-R334 PolarHBondContact O-N 3.48Å; G331-M335 PolarHBondContact O-N 3.09Å |
| 332 | S | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -68.1 | -41 | -178.1 | 64.8 | 0 | 0 | 0 | 0 | 112 | E325 R334 M335 V336 S427 | E325-S332 VanDerWaalsContact CD-OG 3.26Å; E325-S332 WeakPolarHBondContact OE1-CB 3.41Å; E325-S332 PolarHBondContact OE1-N 2.89Å; E325-S332 PolarHBondContact OE1-OG 3.2Å; E325-S332 VanDerWaalsContact OE1-OG 3.13Å; E325-S332 VanDerWaalsContact OE2-CB 3.28Å; E325-S332 WeakPolarHBondContact OE2-CB 3.43Å; E325-S332 PolarHBondContact OE2-OG 2.97Å; S332-R334 VanDerWaalsContact C-N 3.3Å; S332-R334 PolarHBondContact O-N 3.41Å; S332-M335 PolarHBondContact O-N 3.18Å; S332-V336 WeakPolarHBondContact O-CG2 3.32Å; S332-V336 PolarHBondContact O-N 3.09Å; S332-S427 WeakPolarHBondContact OG-CB 3.29Å; S332-S427 PolarHBondContact OG-OG 3.25Å |
| 333 | S | 97.4 | Very high | 96.2 | Very high | 10 Ų | 10 | 22.7 Ų | 22.7 | 7% | 0.07 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -66 | -34.4 | 176.6 | 71.2 | 0 | 0 | 0 | 0 | 112.3 | Y329 I330 W337 S427 | Y329-S333 WeakPolarHBondContact O-CB 3.22Å; Y329-S333 PolarHBondContact O-N 2.92Å; Y329-S333 PolarHBondContact O-OG 3.47Å; I330-S333 PolarHBondContact O-OG 2.86Å; S333-W337 WeakPolarHBondContact O-CB 3.48Å; S333-W337 PolarHBondContact O-N 3.39Å; S333-S427 PolarHBondContact N-OG 2.65Å |
| 334 | R | 96.8 | Very high | 96.1 | Very high | 34 Ų | 34 | 22.7 Ų | 22.7 | 13% | 0.128 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -65.5 | -47.1 | 173.9 | 178.6 | 52.7 | -169.3 | -156.3 | 9.5 | 111.9 | I330 G331 S332 V336 W337 D338 P621 K623 P625 | I330-R334 VanDerWaalsContact O-CB 3.25Å; I330-R334 WeakPolarHBondContact O-CB 3.32Å; I330-R334 PolarHBondContact O-N 2.91Å; G331-R334 PolarHBondContact O-N 3.48Å; S332-R334 VanDerWaalsContact C-N 3.3Å; S332-R334 PolarHBondContact O-N 3.41Å; R334-V336 VanDerWaalsContact C-N 3.34Å; R334-V336 PolarHBondContact O-N 2.78Å; R334-W337 VanDerWaalsContact CZ-CZ3 3.5Å; R334-W337 WeakPolarHBondContact O-CB 3.33Å; R334-W337 PolarHBondContact O-N 2.81Å; R334-D338 IonicContact CZ-OD1 3.46Å; R334-D338 IonicContact CZ-OD2 3.84Å; R334-D338 VanDerWaalsContact NE-CG 3.32Å; R334-D338 IonicContact NE-OD1 3.9Å; R334-D338 PolarHBondContact NE-OD1 2.85Å; R334-D338 IonicContact NE-OD2 3.99Å; R334-D338 PolarHBondContact NE-OD2 3.42Å; R334-D338 IonicContact NH2-OD1 3.54Å; R334-D338 PolarHBondContact NH2-OD1 3.28Å; R334-D338 IonicContact NH2-OD2 3.87Å; R334-D338 PolarHBondContact O-N 3.45Å; R334-P621 HydrophobicContact CG-CB 4.46Å; R334-P621 WeakPolarHBondContact CG-O 3.47Å; R334-K623 VanDerWaalsContact CB-O 3.29Å; R334-K623 WeakPolarHBondContact CB-O 3.36Å; R334-K623 WeakPolarHBondContact CD-O 3.32Å; R334-K623 WeakPolarHBondContact CG-O 3.49Å; R334-P625 HydrophobicContact CB-CG 4.46Å |
| 335 | M | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -61 | -44.8 | 178.4 | -170.9 | 166.8 | 89.5 | 0 | 0 | 111.5 | L265 M318 V320 F322 G331 S332 W337 D338 M339 F344 F428 | L265-M335 HydrophobicContact CD1-CE 3.9Å; M318-M335 HydrophobicContact CE-CE 3.98Å; M318-M335 HydrophobicContact CE-SD 3.95Å; V320-M335 HydrophobicContact CG2-CE 4.42Å; V320-M335 HydrophobicContact CG2-SD 4.29Å; F322-M335 HydrophobicContact CE1-CB 4.15Å; F322-M335 HydrophobicContact CE1-CE 3.47Å; F322-M335 VanDerWaalsContact CE1-CE 3.47Å; F322-M335 HydrophobicContact CE1-SD 3.81Å; F322-M335 HydrophobicContact CZ-CE 3.38Å; F322-M335 HydrophobicContact CZ-SD 4.31Å; G331-M335 PolarHBondContact O-N 3.09Å; S332-M335 PolarHBondContact O-N 3.18Å; M335-W337 VanDerWaalsContact C-N 3.31Å; M335-W337 PolarHBondContact O-N 3.36Å; M335-D338 PolarHBondContact O-N 2.84Å; M335-M339 HydrophobicContact CE-CE 3.68Å; M335-M339 HydrophobicContact CG-CE 3.9Å; M335-M339 HydrophobicContact CG-SD 4.45Å; M335-M339 VanDerWaalsContact O-CG 3.29Å; M335-M339 WeakPolarHBondContact O-CG 3.24Å; M335-M339 PolarHBondContact O-N 2.81Å; M335-M339 HydrophobicContact SD-CE 4.1Å; M335-F344 HydrophobicContact CG-CD2 3.79Å; M335-F344 HydrophobicContact CG-CE1 4.5Å; M335-F344 HydrophobicContact CG-CE2 3.56Å; M335-F344 HydrophobicContact CG-CG 4.34Å; M335-F344 HydrophobicContact CG-CZ 3.96Å; M335-F344 HydrophobicContact SD-CD2 4.43Å; M335-F344 HydrophobicContact SD-CE1 4.33Å; M335-F344 HydrophobicContact SD-CE2 3.61Å; M335-F344 HydrophobicContact SD-CZ 3.56Å; M335-F344 VanDerWaalsContact SD-CZ 3.56Å; M335-F428 HydrophobicContact CE-CE1 4.37Å; M335-F428 HydrophobicContact CE-CZ 3.64Å |
| 336 | V | 97.6 | Very high | 95.5 | Very high | 4 Ų | 4 | 23.6 Ų | 23.6 | 2% | 0.024 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -59.1 | -43.2 | 175.6 | 169.1 | 0 | 0 | 0 | 0 | 111.3 | S332 R334 M339 Q340 L358 F428 I431 | S332-V336 WeakPolarHBondContact O-CG2 3.32Å; S332-V336 PolarHBondContact O-N 3.09Å; R334-V336 VanDerWaalsContact C-N 3.34Å; R334-V336 PolarHBondContact O-N 2.78Å; V336-M339 PolarHBondContact O-N 2.85Å; V336-Q340 WeakPolarHBondContact O-CG 3.47Å; V336-Q340 PolarHBondContact O-N 3.28Å; V336-L358 HydrophobicContact CG1-CD1 4.21Å; V336-L358 HydrophobicContact CG1-CD2 4.31Å; V336-L358 HydrophobicContact CG2-CD2 4.42Å; V336-F428 HydrophobicContact CG2-CD1 3.8Å; V336-F428 HydrophobicContact CG2-CD2 3.94Å; V336-F428 HydrophobicContact CG2-CE1 3.89Å; V336-F428 HydrophobicContact CG2-CE2 4.03Å; V336-F428 HydrophobicContact CG2-CG 3.84Å; V336-F428 HydrophobicContact CG2-CZ 4.01Å; V336-I431 HydrophobicContact CG1-CB 4.45Å; V336-I431 HydrophobicContact CG1-CG1 3.58Å |
| 337 | W | 96.4 | Very high | 94.4 | Very high | 36 Ų | 36 | 30.4 Ų | 30.4 | 14% | 0.136 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.5 | -44 | 177.2 | -177.5 | 88.9 | 0 | 0 | 0 | 112.3 | S333 R334 M335 M339 Q340 K341 P625 A628 M629 Y639 | S333-W337 WeakPolarHBondContact O-CB 3.48Å; S333-W337 PolarHBondContact O-N 3.39Å; R334-W337 VanDerWaalsContact CZ-CZ3 3.5Å; R334-W337 WeakPolarHBondContact O-CB 3.33Å; R334-W337 PolarHBondContact O-N 2.81Å; M335-W337 VanDerWaalsContact C-N 3.31Å; M335-W337 PolarHBondContact O-N 3.36Å; W337-M339 VanDerWaalsContact C-N 3.33Å; W337-M339 PolarHBondContact O-N 2.79Å; W337-Q340 PolarHBondContact O-N 3.15Å; W337-K341 HydrophobicContact CD2-CG 4.3Å; W337-K341 HydrophobicContact CE3-CG 4.44Å; W337-K341 HydrophobicContact CH2-CG 4.38Å; W337-K341 HydrophobicContact CZ2-CG 4.24Å; W337-K341 HydrophobicContact CZ3-CG 4.45Å; W337-K341 WeakPolarHBondContact O-CG 3.27Å; W337-K341 PolarHBondContact O-N 2.94Å; W337-K341 VanDerWaalsContact O-N 3.08Å; W337-P625 HydrophobicContact CB-CB 4.11Å; W337-P625 HydrophobicContact CB-CG 3.55Å; W337-P625 HydrophobicContact CD2-CB 4.01Å; W337-P625 HydrophobicContact CD2-CG 4.28Å; W337-P625 HydrophobicContact CG-CB 3.7Å; W337-P625 HydrophobicContact CG-CG 3.73Å; W337-A628 HydrophobicContact CH2-CB 4.41Å; W337-M629 HydrophobicContact CZ2-CG 4.12Å; W337-Y639 AromaticContact CD1-CZ 3.87Å |
| 338 | D | 96.2 | Very high | 93.2 | Very high | 5 Ų | 5 | 38 Ų | 38 | 3% | 0.027 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.2 | -37.7 | 176.2 | -70.8 | -41.2 | 0 | 0 | 0 | 111.5 | R334 M335 K341 N342 T343 F344 | R334-D338 IonicContact CZ-OD1 3.46Å; R334-D338 IonicContact CZ-OD2 3.84Å; R334-D338 VanDerWaalsContact NE-CG 3.32Å; R334-D338 IonicContact NE-OD1 3.9Å; R334-D338 PolarHBondContact NE-OD1 2.85Å; R334-D338 IonicContact NE-OD2 3.99Å; R334-D338 PolarHBondContact NE-OD2 3.42Å; R334-D338 IonicContact NH2-OD1 3.54Å; R334-D338 PolarHBondContact NH2-OD1 3.28Å; R334-D338 IonicContact NH2-OD2 3.87Å; R334-D338 PolarHBondContact O-N 3.45Å; M335-D338 PolarHBondContact O-N 2.84Å; D338-K341 PolarHBondContact O-N 2.89Å; D338-N342 PolarHBondContact O-N 3Å; D338-T343 PolarHBondContact O-N 2.64Å; D338-T343 PolarHBondContact O-OG1 2.94Å; D338-F344 HydrophobicContact CB-CB 3.73Å; D338-F344 HydrophobicContact CB-CD2 4.48Å; D338-F344 PolarHBondContact O-N 3.46Å |
| 339 | M | 96.9 | Very high | 91.7 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.1 | -37.2 | 173.7 | -69.7 | 179.7 | 170.5 | 0 | 0 | 112.5 | M318 M335 V336 W337 K341 N342 F344 V356 N357 L358 F428 | M318-M339 HydrophobicContact CE-CE 4.09Å; M318-M339 HydrophobicContact SD-CE 4.49Å; M335-M339 HydrophobicContact CE-CE 3.68Å; M335-M339 HydrophobicContact CG-CE 3.9Å; M335-M339 HydrophobicContact CG-SD 4.45Å; M335-M339 VanDerWaalsContact O-CG 3.29Å; M335-M339 WeakPolarHBondContact O-CG 3.24Å; M335-M339 PolarHBondContact O-N 2.81Å; M335-M339 HydrophobicContact SD-CE 4.1Å; V336-M339 PolarHBondContact O-N 2.85Å; W337-M339 VanDerWaalsContact C-N 3.33Å; W337-M339 PolarHBondContact O-N 2.79Å; M339-K341 VanDerWaalsContact C-N 3.28Å; M339-K341 PolarHBondContact O-N 3.26Å; M339-N342 PolarHBondContact O-N 3.31Å; M339-F344 HydrophobicContact CE-CD1 3.56Å; M339-F344 HydrophobicContact CE-CE1 3.5Å; M339-F344 HydrophobicContact CE-CG 4.31Å; M339-F344 HydrophobicContact CE-CZ 4.21Å; M339-F344 HydrophobicContact CG-CB 3.86Å; M339-F344 HydrophobicContact CG-CD1 3.83Å; M339-F344 HydrophobicContact CG-CG 3.95Å; M339-V356 HydrophobicContact CE-CB 4.47Å; M339-V356 HydrophobicContact CE-CG1 3.89Å; M339-V356 WeakPolarHBondContact CG-O 3.38Å; M339-N357 PolarHBondContact O-OD1 2.88Å; M339-L358 HydrophobicContact CB-CD2 4.34Å; M339-L358 HydrophobicContact CB-CG 4.14Å; M339-L358 HydrophobicContact SD-CD2 3.98Å; M339-F428 HydrophobicContact SD-CE1 4.26Å |
| 340 | Q | 95.3 | Very high | 90.5 | Very high | 83 Ų | 83 | 43.4 Ų | 43.4 | 39% | 0.388 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -68.5 | -29.4 | 174.9 | -72 | -175.9 | -70 | 0 | 0 | 112.6 | V336 W337 N342 L358 I431 | V336-Q340 WeakPolarHBondContact O-CG 3.47Å; V336-Q340 PolarHBondContact O-N 3.28Å; W337-Q340 PolarHBondContact O-N 3.15Å; Q340-N342 VanDerWaalsContact C-N 3.31Å; Q340-L358 HydrophobicContact CG-CD1 3.66Å; Q340-I431 HydrophobicContact CG-CG2 4.27Å |
| 341 | K | 93.7 | Very high | 89.7 | Confident | 127 Ų | 127 | 44.6 Ų | 44.6 | 55% | 0.552 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -1.3 | 178.1 | -68.3 | -65 | -174.7 | 178.2 | 0 | 113.3 | W337 D338 M339 T343 | W337-K341 HydrophobicContact CD2-CG 4.3Å; W337-K341 HydrophobicContact CE3-CG 4.44Å; W337-K341 HydrophobicContact CH2-CG 4.38Å; W337-K341 HydrophobicContact CZ2-CG 4.24Å; W337-K341 HydrophobicContact CZ3-CG 4.45Å; W337-K341 WeakPolarHBondContact O-CG 3.27Å; W337-K341 PolarHBondContact O-N 2.94Å; W337-K341 VanDerWaalsContact O-N 3.08Å; D338-K341 PolarHBondContact O-N 2.89Å; M339-K341 VanDerWaalsContact C-N 3.28Å; M339-K341 PolarHBondContact O-N 3.26Å; K341-T343 HydrophobicContact CB-CG2 4.12Å; K341-T343 PolarHBondContact O-N 3.4Å |
| 342 | N | 93 | Very high | 89.1 | Confident | 90 Ų | 90 | 48.1 Ų | 48.1 | 48% | 0.481 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.3 | 35.7 | -172.3 | -51.9 | -35.8 | 0 | 0 | 0 | 112.1 | D338 M339 Q340 N357 | D338-N342 PolarHBondContact O-N 3Å; M339-N342 PolarHBondContact O-N 3.31Å; Q340-N342 VanDerWaalsContact C-N 3.31Å; N342-N357 PolarHBondContact OD1-ND2 3.09Å; N342-N357 PolarHBondContact OD1-OD1 2.54Å |
| 343 | T | 92.7 | Very high | 88.5 | Confident | 56 Ų | 56 | 48.2 Ų | 48.2 | 34% | 0.344 | 24% | 0.242 | S | C | . | . | trans | -115.4 | 4.6 | 179.8 | 55.8 | 0 | 0 | 0 | 0 | 112.7 | D338 K341 P345 P346 | D338-T343 PolarHBondContact O-N 2.64Å; D338-T343 PolarHBondContact O-OG1 2.94Å; K341-T343 HydrophobicContact CB-CG2 4.12Å; K341-T343 PolarHBondContact O-N 3.4Å; T343-P345 CarbonylContact O-C 3.26Å; T343-P346 WeakPolarHBondContact O-CA 3.47Å | ||
| 344 | F | 94.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -100.3 | 129.9 | 176.2 | -179.4 | -94.2 | 0 | 0 | 0 | 110.6 | F246 M318 M335 D338 M339 Y355 V356 | F246-F344 HydrophobicContact CD1-CZ 4.33Å; F246-F344 HydrophobicContact CD2-CZ 4.02Å; F246-F344 AromaticContact CE1-CE2 3.94Å; F246-F344 HydrophobicContact CE1-CE2 3.94Å; F246-F344 AromaticContact CE1-CZ 3.89Å; F246-F344 HydrophobicContact CE1-CZ 3.89Å; F246-F344 HydrophobicContact CE2-CE1 4.12Å; F246-F344 HydrophobicContact CE2-CE2 4.35Å; F246-F344 AromaticContact CE2-CZ 3.52Å; F246-F344 HydrophobicContact CE2-CZ 3.52Å; F246-F344 HydrophobicContact CG-CZ 4.39Å; F246-F344 HydrophobicContact CZ-CE1 4.31Å; F246-F344 AromaticContact CZ-CE2 3.82Å; F246-F344 HydrophobicContact CZ-CE2 3.82Å; F246-F344 AromaticContact CZ-CZ 3.45Å; F246-F344 HydrophobicContact CZ-CZ 3.45Å; F246-F344 VanDerWaalsContact CZ-CZ 3.45Å; M318-F344 HydrophobicContact CE-CE1 3.5Å; M318-F344 VanDerWaalsContact CE-CE1 3.5Å; M318-F344 HydrophobicContact CE-CZ 3.44Å; M318-F344 VanDerWaalsContact CE-CZ 3.44Å; M318-F344 HydrophobicContact SD-CE1 4.42Å; M335-F344 HydrophobicContact CG-CD2 3.79Å; M335-F344 HydrophobicContact CG-CE1 4.5Å; M335-F344 HydrophobicContact CG-CE2 3.56Å; M335-F344 HydrophobicContact CG-CG 4.34Å; M335-F344 HydrophobicContact CG-CZ 3.96Å; M335-F344 HydrophobicContact SD-CD2 4.43Å; M335-F344 HydrophobicContact SD-CE1 4.33Å; M335-F344 HydrophobicContact SD-CE2 3.61Å; M335-F344 HydrophobicContact SD-CZ 3.56Å; M335-F344 VanDerWaalsContact SD-CZ 3.56Å; D338-F344 HydrophobicContact CB-CB 3.73Å; D338-F344 HydrophobicContact CB-CD2 4.48Å; D338-F344 PolarHBondContact O-N 3.46Å; M339-F344 HydrophobicContact CE-CD1 3.56Å; M339-F344 HydrophobicContact CE-CE1 3.5Å; M339-F344 HydrophobicContact CE-CG 4.31Å; M339-F344 HydrophobicContact CE-CZ 4.21Å; M339-F344 HydrophobicContact CG-CB 3.86Å; M339-F344 HydrophobicContact CG-CD1 3.83Å; M339-F344 HydrophobicContact CG-CG 3.95Å; F344-Y355 CarbonylContact O-C 3.58Å; F344-Y355 VanDerWaalsContact O-CA 3.24Å; F344-Y355 WeakPolarHBondContact O-CA 3.18Å; F344-Y355 WeakPolarHBondContact O-CD1 3.34Å; F344-V356 HydrophobicContact CD1-CB 3.84Å; F344-V356 HydrophobicContact CE1-CB 4.06Å; F344-V356 HydrophobicContact CE1-CG2 4.5Å; F344-V356 PolarHBondContact O-N 3.12Å |
| 345 | P | 93.2 | Very high | 88.2 | Confident | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.013 | 24% | 0.244 | C | C | . | . | S | Bend | cis | -66.4 | 151.4 | -5.6 | -23.5 | 37 | 0 | 0 | 0 | 113.8 | F246 T343 N349 S354 M618 | F246-P345 HydrophobicContact CE2-CG 4.18Å; F246-P345 HydrophobicContact CZ-CB 4Å; F246-P345 HydrophobicContact CZ-CG 3.96Å; T343-P345 CarbonylContact O-C 3.26Å; P345-N349 WeakPolarHBondContact CB-ND2 3.33Å; P345-S354 WeakPolarHBondContact CD-O 3.17Å; P345-M618 HydrophobicContact CB-SD 4.27Å; P345-M618 HydrophobicContact CG-CE 4.45Å; P345-M618 HydrophobicContact CG-SD 4.22Å |
| 346 | P | 86.5 | Confident | 88.1 | Confident | 22 Ų | 22 | 49 Ų | 49 | 14% | 0.143 | 24% | 0.244 | C | C | . | . | P | Polyproline II helix | trans | -59 | 144.9 | -178.9 | 23.7 | -34.2 | 0 | 0 | 0 | 112.2 | T343 E348 N349 | T343-P346 WeakPolarHBondContact O-CA 3.47Å; P346-E348 PolarHBondContact O-N 3.12Å; P346-E348 VanDerWaalsContact O-N 3.17Å; P346-N349 WeakPolarHBondContact CD-ND2 3.06Å; P346-N349 VanDerWaalsContact O-CB 3.22Å; P346-N349 WeakPolarHBondContact O-CB 3.15Å; P346-N349 PolarHBondContact O-N 3.25Å |
| 347 | Q | 72.3 | Confident | 88 | Confident | 146 Ų | 146 | 50.4 Ų | 50.4 | 68% | 0.682 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -26 | -177.5 | -76 | -174.4 | 7.4 | 0 | 0 | 114.1 | N349 Y355 | Q347-N349 PolarHBondContact O-N 2.99Å; Q347-N349 VanDerWaalsContact O-N 3.15Å; Q347-Y355 PolarHBondContact NE2-OH 3.07Å |
| 348 | E | 70.4 | Confident | 88 | Confident | 160 Ų | 160 | 49.6 Ų | 49.6 | 75% | 0.748 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -9.7 | 174.2 | -64.1 | 179.3 | -179.7 | 0 | 0 | 112.7 | P346 V350 | P346-E348 PolarHBondContact O-N 3.12Å; P346-E348 VanDerWaalsContact O-N 3.17Å; E348-V350 PolarHBondContact O-N 2.94Å |
| 349 | N | 65.7 | Low | 88 | Confident | 28 Ų | 28 | 51.8 Ų | 51.8 | 15% | 0.15 | 27% | 0.265 | C | S | . | . | trans | -69.5 | 119.4 | 174.8 | -75.7 | -9.1 | 0 | 0 | 0 | 111.1 | P345 P346 Q347 L351 N352 Y619 | P345-N349 WeakPolarHBondContact CB-ND2 3.33Å; P346-N349 WeakPolarHBondContact CD-ND2 3.06Å; P346-N349 VanDerWaalsContact O-CB 3.22Å; P346-N349 WeakPolarHBondContact O-CB 3.15Å; P346-N349 PolarHBondContact O-N 3.25Å; Q347-N349 PolarHBondContact O-N 2.99Å; Q347-N349 VanDerWaalsContact O-N 3.15Å; N349-L351 PolarHBondContact O-N 2.78Å; N349-L351 VanDerWaalsContact O-N 3.13Å; N349-N352 PolarHBondContact O-N 3.05Å; N349-Y619 PolarHBondContact ND2-O 3.08Å; N349-Y619 PolarHBondContact OD1-O 3.01Å | ||
| 350 | V | 71.2 | Confident | 88 | Confident | 105 Ų | 105 | 52.7 Ų | 52.7 | 64% | 0.636 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -24.5 | -174.6 | -162.8 | 0 | 0 | 0 | 0 | 112.7 | E348 N352 P592 | E348-V350 PolarHBondContact O-N 2.94Å; V350-N352 VanDerWaalsContact C-N 3.34Å; V350-N352 PolarHBondContact O-N 3.29Å; V350-P592 HydrophobicContact CB-CB 4.44Å; V350-P592 HydrophobicContact CG1-CB 3.34Å; V350-P592 HydrophobicContact CG1-CG 3.46Å; V350-P592 VanDerWaalsContact CG1-CG 3.46Å |
| 351 | L | 80.5 | Confident | 88.1 | Confident | 28 Ų | 28 | 48.9 Ų | 48.9 | 15% | 0.147 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -2.6 | -173.4 | -65.1 | 169 | 0 | 0 | 0 | 115 | F251 N349 S353 S593 H616 M618 | F251-L351 HydrophobicContact CE2-CB 4.26Å; F251-L351 HydrophobicContact CZ-CB 4.33Å; F251-L351 WeakPolarHBondContact CZ-O 3.36Å; N349-L351 PolarHBondContact O-N 2.78Å; N349-L351 VanDerWaalsContact O-N 3.13Å; L351-S353 VanDerWaalsContact C-N 3.29Å; L351-S353 PolarHBondContact O-N 2.97Å; L351-S593 VanDerWaalsContact CD2-CB 3.4Å; L351-H616 HydrophobicContact CD1-CB 4.44Å; L351-M618 HydrophobicContact CD1-CG 3.59Å; L351-M618 HydrophobicContact CD1-SD 4.49Å |
| 352 | N | 83.5 | Confident | 88.3 | Confident | 73 Ų | 73 | 43.3 Ų | 43.3 | 39% | 0.39 | 23% | 0.23 | S | C | . | . | trans | 49.6 | 43.7 | 178.7 | -165.4 | 35.1 | 0 | 0 | 0 | 114.4 | R254 N349 V350 | R254-N352 WeakPolarHBondContact CB-O 3.35Å; R254-N352 WeakPolarHBondContact CD-OD1 3.34Å; R254-N352 PolarHBondContact N-O 2.98Å; R254-N352 PolarHBondContact NE-OD1 2.85Å; R254-N352 PolarHBondContact NH1-OD1 2.84Å; N349-N352 PolarHBondContact O-N 3.05Å; V350-N352 VanDerWaalsContact C-N 3.34Å; V350-N352 PolarHBondContact O-N 3.29Å | ||
| 353 | S | 87.6 | Confident | 88.5 | Confident | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.014 | 21% | 0.208 | C | C | . | . | B | Isolated β-bridge | trans | -71 | 155.4 | -179.3 | -167.1 | 0 | 0 | 0 | 0 | 113.1 | R252 L351 | R252-S353 WeakPolarHBondContact O-CA 3.37Å; R252-S353 PolarHBondContact O-OG 2.98Å; L351-S353 VanDerWaalsContact C-N 3.29Å; L351-S353 PolarHBondContact O-N 2.97Å |
| 354 | S | 92.1 | Very high | 88.8 | Confident | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.007 | 19% | 0.192 | C | C | . | . | P | Polyproline II helix | trans | -64.7 | 145.9 | 170.8 | -170 | 0 | 0 | 0 | 0 | 112.5 | R252 E253 S256 P345 | R252-S354 PolarHBondContact O-N 3.05Å; E253-S354 WeakPolarHBondContact O-CB 3.21Å; S256-S354 WeakPolarHBondContact O-CB 3.46Å; S256-S354 PolarHBondContact O-OG 3.1Å; P345-S354 WeakPolarHBondContact CD-O 3.17Å |
| 355 | Y | 94.5 | Very high | 89 | Confident | 59 Ų | 59 | 36.6 Ų | 36.6 | 23% | 0.231 | 19% | 0.192 | C | C | . | . | P | Polyproline II helix | trans | -72.5 | 135.5 | -178.9 | -67.1 | -66.6 | 0 | 0 | 0 | 110.9 | F258 F344 Q347 | F258-Y355 WeakPolarHBondContact CD2-O 3.36Å; F344-Y355 CarbonylContact O-C 3.58Å; F344-Y355 VanDerWaalsContact O-CA 3.24Å; F344-Y355 WeakPolarHBondContact O-CA 3.18Å; F344-Y355 WeakPolarHBondContact O-CD1 3.34Å; Q347-Y355 PolarHBondContact NE2-OH 3.07Å |
| 356 | V | 95.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | trans | -107.6 | 126.5 | 175 | 178.1 | 0 | 0 | 0 | 0 | 108.9 | I248 F258 I263 M339 F344 H360 I361 | I248-V356 HydrophobicContact CD1-CG2 3.83Å; F258-V356 HydrophobicContact CD2-CG2 3.81Å; F258-V356 HydrophobicContact CE2-CG2 3.45Å; F258-V356 VanDerWaalsContact CE2-CG2 3.45Å; F258-V356 HydrophobicContact CZ-CG2 4.21Å; I263-V356 HydrophobicContact CD1-CB 4.28Å; I263-V356 HydrophobicContact CD1-CG1 3.53Å; I263-V356 HydrophobicContact CD1-CG2 3.77Å; M339-V356 HydrophobicContact CE-CB 4.47Å; M339-V356 HydrophobicContact CE-CG1 3.89Å; M339-V356 WeakPolarHBondContact CG-O 3.38Å; F344-V356 HydrophobicContact CD1-CB 3.84Å; F344-V356 HydrophobicContact CE1-CB 4.06Å; F344-V356 HydrophobicContact CE1-CG2 4.5Å; F344-V356 PolarHBondContact O-N 3.12Å; V356-H360 HydrophobicContact CG1-CB 4.38Å; V356-I361 HydrophobicContact CG1-CD1 4.22Å | ||
| 357 | N | 95.3 | Very high | 89.8 | Confident | 34 Ų | 34 | 35.4 Ų | 35.4 | 18% | 0.182 | 18% | 0.184 | C | C | . | . | trans | -110.2 | 164.3 | 175.6 | -66.8 | -8.1 | 0 | 0 | 0 | 110.1 | M339 N342 S359 H360 | M339-N357 PolarHBondContact O-OD1 2.88Å; N342-N357 PolarHBondContact OD1-ND2 3.09Å; N342-N357 PolarHBondContact OD1-OD1 2.54Å; N357-S359 PolarHBondContact O-N 3.38Å; N357-H360 PolarHBondContact N-ND1 3.33Å; N357-H360 VanDerWaalsContact N-ND1 3.1Å; N357-H360 WeakPolarHBondContact O-CB 3.17Å; N357-H360 PolarHBondContact O-N 3.15Å | ||
| 358 | L | 96 | Very high | 90.8 | Very high | 19 Ų | 19 | 28.5 Ų | 28.5 | 10% | 0.099 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | -59 | -32.9 | 176.5 | -69.2 | 175 | 0 | 0 | 0 | 112.9 | V336 M339 Q340 H360 I361 F428 I431 I435 | V336-L358 HydrophobicContact CG1-CD1 4.21Å; V336-L358 HydrophobicContact CG1-CD2 4.31Å; V336-L358 HydrophobicContact CG2-CD2 4.42Å; M339-L358 HydrophobicContact CB-CD2 4.34Å; M339-L358 HydrophobicContact CB-CG 4.14Å; M339-L358 HydrophobicContact SD-CD2 3.98Å; Q340-L358 HydrophobicContact CG-CD1 3.66Å; L358-H360 PolarHBondContact O-N 3.17Å; L358-I361 WeakPolarHBondContact O-CB 3.09Å; L358-I361 PolarHBondContact O-N 3.39Å; L358-I361 VanDerWaalsContact O-N 3.13Å; L358-F428 HydrophobicContact CD2-CD1 3.87Å; L358-F428 HydrophobicContact CD2-CE1 4.26Å; L358-I431 HydrophobicContact CD1-CB 3.98Å; L358-I431 HydrophobicContact CD1-CG2 3.49Å; L358-I431 VanDerWaalsContact CD1-CG2 3.49Å; L358-I435 HydrophobicContact CD2-CD1 4.48Å |
| 359 | S | 96.2 | Very high | 91.7 | Very high | 51 Ų | 51 | 21 Ų | 21 | 36% | 0.357 | 12% | 0.117 | S | C | . | . | G | 310 helix | trans | -64.9 | -22.2 | 176.7 | 56.3 | 0 | 0 | 0 | 0 | 113.4 | E260 K261 N357 I361 | E260-S359 CarbonylContact C-O 3.54Å; E260-S359 WeakPolarHBondContact CA-O 3.16Å; K261-S359 PolarHBondContact N-O 3.17Å; N357-S359 PolarHBondContact O-N 3.38Å; S359-I361 VanDerWaalsContact C-N 3.33Å |
| 360 | H | 97.4 | Very high | 92.9 | Very high | 20 Ų | 20 | 19.6 Ų | 19.6 | 9% | 0.093 | 11% | 0.11 | C | C | . | . | G | 310 helix | trans | -78.5 | -18.9 | 177.2 | -53.9 | 156.8 | 0 | 0 | 0 | 111.9 | F258 K261 S262 I263 V356 N357 L358 G362 | F258-H360 HydrophobicContact CB-CB 4.17Å; K261-H360 CarbonylContact C-O 3.55Å; K261-H360 WeakPolarHBondContact CA-O 3.3Å; S262-H360 PolarHBondContact N-O 3.24Å; I263-H360 WeakPolarHBondContact CB-O 3.3Å; I263-H360 HydrophobicContact CD1-CB 3.84Å; I263-H360 HydrophobicContact CG1-CB 4.39Å; I263-H360 PolarHBondContact N-O 3.47Å; V356-H360 HydrophobicContact CG1-CB 4.38Å; N357-H360 PolarHBondContact N-ND1 3.33Å; N357-H360 VanDerWaalsContact N-ND1 3.1Å; N357-H360 WeakPolarHBondContact O-CB 3.17Å; N357-H360 PolarHBondContact O-N 3.15Å; L358-H360 PolarHBondContact O-N 3.17Å; H360-G362 PolarHBondContact O-N 3.33Å |
| 361 | I | 97.9 | Very high | 93.5 | Very high | 4 Ų | 4 | 14.7 Ų | 14.7 | 2% | 0.021 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 113.3 | 179.9 | -52.7 | -57.2 | 0 | 0 | 0 | 109.6 | I263 L265 V356 L358 S359 I435 | I263-I361 HydrophobicContact CB-CD1 4.25Å; I263-I361 HydrophobicContact CG2-CD1 4.04Å; L265-I361 HydrophobicContact CD1-CD1 4.14Å; V356-I361 HydrophobicContact CG1-CD1 4.22Å; L358-I361 WeakPolarHBondContact O-CB 3.09Å; L358-I361 PolarHBondContact O-N 3.39Å; L358-I361 VanDerWaalsContact O-N 3.13Å; S359-I361 VanDerWaalsContact C-N 3.33Å; I361-I435 HydrophobicContact CG2-CG2 3.94Å |
| 362 | G | 97.5 | Very high | 93.1 | Very high | 9 Ų | 9 | 14.2 Ų | 14.2 | 9% | 0.093 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | -31.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | K261 I263 H360 P436 | K261-G362 WeakPolarHBondContact O-CA 3.47Å; I263-G362 PolarHBondContact O-N 2.87Å; H360-G362 PolarHBondContact O-N 3.33Å; G362-P436 WeakPolarHBondContact O-CD 3.11Å; G362-P436 WeakPolarHBondContact O-CG 3.45Å |
| 363 | F | 98.4 | Very high | 92.1 | Very high | 4 Ų | 4 | 11.1 Ų | 11.1 | 2% | 0.018 | 6% | 0.061 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 144.7 | 176.6 | -158.7 | -80.9 | 0 | 0 | 0 | 110.2 | I263 F264 L265 F365 A396 I397 F400 P436 T438 | I263-F363 PolarHBondContact O-N 2.85Å; F264-F363 WeakPolarHBondContact CA-O 3.5Å; F264-F363 HydrophobicContact CD2-CB 3.7Å; F264-F363 HydrophobicContact CD2-CD1 4.15Å; F264-F363 HydrophobicContact CD2-CG 4.19Å; F264-F363 HydrophobicContact CE2-CB 3.98Å; F264-F363 AromaticContact CE2-CD1 3.54Å; F264-F363 HydrophobicContact CE2-CD1 3.54Å; F264-F363 HydrophobicContact CE2-CE1 4.35Å; F264-F363 AromaticContact CE2-CG 3.94Å; F264-F363 HydrophobicContact CE2-CG 3.94Å; F264-F363 HydrophobicContact CZ-CD1 4.03Å; L265-F363 PolarHBondContact N-O 3.35Å; F363-F365 HydrophobicContact CD1-CB 4.46Å; F363-F365 HydrophobicContact CE1-CB 4.32Å; F363-A396 HydrophobicContact CD2-CB 4.41Å; F363-A396 HydrophobicContact CE2-CB 4.4Å; F363-I397 HydrophobicContact CE2-CG1 4.44Å; F363-F400 HydrophobicContact CD1-CD2 4.03Å; F363-F400 HydrophobicContact CD1-CE2 4.34Å; F363-F400 HydrophobicContact CE1-CB 4.32Å; F363-F400 HydrophobicContact CE1-CD1 4.39Å; F363-F400 AromaticContact CE1-CD2 3.3Å; F363-F400 HydrophobicContact CE1-CD2 3.3Å; F363-F400 AromaticContact CE1-CE2 3.61Å; F363-F400 HydrophobicContact CE1-CE2 3.61Å; F363-F400 AromaticContact CE1-CG 3.77Å; F363-F400 HydrophobicContact CE1-CG 3.77Å; F363-F400 HydrophobicContact CE1-CZ 4.32Å; F363-F400 HydrophobicContact CE2-CB 3.71Å; F363-F400 HydrophobicContact CE2-CD2 4.16Å; F363-F400 HydrophobicContact CE2-CG 4.07Å; F363-F400 HydrophobicContact CZ-CB 3.49Å; F363-F400 VanDerWaalsContact CZ-CB 3.49Å; F363-F400 AromaticContact CZ-CD1 3.99Å; F363-F400 HydrophobicContact CZ-CD1 3.99Å; F363-F400 AromaticContact CZ-CD2 3.38Å; F363-F400 HydrophobicContact CZ-CD2 3.38Å; F363-F400 HydrophobicContact CZ-CE2 4.1Å; F363-F400 AromaticContact CZ-CG 3.34Å; F363-F400 HydrophobicContact CZ-CG 3.34Å; F363-P436 CarbonylContact C-O 3.51Å; F363-P436 WeakPolarHBondContact CA-O 3.28Å; F363-P436 HydrophobicContact CD2-CB 3.53Å; F363-P436 HydrophobicContact CD2-CG 4.42Å; F363-P436 HydrophobicContact CE2-CB 3.7Å; F363-P436 HydrophobicContact CG-CB 4.32Å; F363-T438 HydrophobicContact CE1-CG2 4.3Å; F363-T438 HydrophobicContact CZ-CG2 3.85Å |
| 364 | L | 98.6 | Very high | 91 | Very high | 1 Ų | 1 | 17.5 Ų | 17.5 | 1% | 0.005 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 123.7 | 173.4 | -171.8 | 155.9 | 0 | 0 | 0 | 110.2 | L265 E366 L425 F428 P436 G437 T438 | L265-L364 HydrophobicContact CB-CG 4.34Å; L265-L364 HydrophobicContact CD2-CD1 3.81Å; L265-L364 HydrophobicContact CD2-CG 3.71Å; L265-L364 WeakPolarHBondContact O-CA 3.3Å; L364-E366 HydrophobicContact CD2-CB 4.14Å; L364-L425 HydrophobicContact CB-CD1 4.15Å; L364-L425 HydrophobicContact CD1-CD1 3.92Å; L364-L425 HydrophobicContact CD2-CB 3.99Å; L364-L425 HydrophobicContact CD2-CD1 3.6Å; L364-L425 HydrophobicContact CD2-CG 4.23Å; L364-L425 HydrophobicContact CG-CD1 4.07Å; L364-F428 HydrophobicContact CD1-CB 4.31Å; L364-F428 HydrophobicContact CD1-CD1 3.97Å; L364-F428 HydrophobicContact CD1-CD2 3.52Å; L364-F428 HydrophobicContact CD1-CE1 4.11Å; L364-F428 HydrophobicContact CD1-CE2 3.68Å; L364-F428 HydrophobicContact CD1-CG 3.67Å; L364-F428 HydrophobicContact CD1-CZ 3.96Å; L364-P436 PolarHBondContact N-O 2.85Å; L364-G437 CarbonylContact O-C 3.54Å; L364-G437 VanDerWaalsContact O-CA 3.24Å; L364-G437 WeakPolarHBondContact O-CA 3.32Å; L364-T438 PolarHBondContact O-N 3.24Å |
| 365 | F | 98.6 | Very high | 90 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 124.4 | 173.6 | 179 | -142.7 | 0 | 0 | 0 | 110 | F264 L265 L266 A267 F363 L367 F400 T438 I440 T478 | F264-F365 HydrophobicContact CE1-CB 3.93Å; F264-F365 HydrophobicContact CZ-CB 3.66Å; F264-F365 HydrophobicContact CZ-CD1 4.45Å; F264-F365 HydrophobicContact CZ-CG 4.48Å; L265-F365 PolarHBondContact O-N 3.49Å; L266-F365 CarbonylContact C-O 3.4Å; L266-F365 WeakPolarHBondContact CA-O 3.31Å; L266-F365 HydrophobicContact CD1-CD1 3.69Å; L266-F365 HydrophobicContact CD1-CE1 4.3Å; L266-F365 HydrophobicContact CD1-CG 4.36Å; A267-F365 PolarHBondContact N-O 2.91Å; F363-F365 HydrophobicContact CD1-CB 4.46Å; F363-F365 HydrophobicContact CE1-CB 4.32Å; F365-L367 HydrophobicContact CE1-CD2 3.92Å; F365-L367 HydrophobicContact CZ-CD2 3.92Å; F365-F400 HydrophobicContact CB-CE2 4.03Å; F365-F400 HydrophobicContact CB-CZ 4.24Å; F365-F400 HydrophobicContact CD1-CE2 4.1Å; F365-F400 AromaticContact CD1-CZ 3.94Å; F365-F400 HydrophobicContact CD1-CZ 3.94Å; F365-F400 HydrophobicContact CD2-CE1 4.34Å; F365-F400 HydrophobicContact CD2-CE2 4.16Å; F365-F400 AromaticContact CD2-CZ 3.51Å; F365-F400 HydrophobicContact CD2-CZ 3.51Å; F365-F400 HydrophobicContact CE1-CZ 4.12Å; F365-F400 HydrophobicContact CE2-CE1 4.36Å; F365-F400 AromaticContact CE2-CZ 3.7Å; F365-F400 HydrophobicContact CE2-CZ 3.7Å; F365-F400 AromaticContact CG-CE2 3.85Å; F365-F400 HydrophobicContact CG-CE2 3.85Å; F365-F400 AromaticContact CG-CZ 3.63Å; F365-F400 HydrophobicContact CG-CZ 3.63Å; F365-F400 AromaticContact CZ-CZ 3.99Å; F365-F400 HydrophobicContact CZ-CZ 3.99Å; F365-T438 WeakPolarHBondContact CA-O 3.43Å; F365-T438 VanDerWaalsContact CD2-OG1 3.25Å; F365-T438 WeakPolarHBondContact CD2-OG1 3.16Å; F365-I440 HydrophobicContact CE2-CB 3.76Å; F365-I440 HydrophobicContact CE2-CG2 3.59Å; F365-I440 HydrophobicContact CZ-CB 4.01Å; F365-I440 HydrophobicContact CZ-CG2 3.51Å; F365-T478 HydrophobicContact CD1-CG2 4.14Å; F365-T478 HydrophobicContact CE1-CG2 3.94Å |
| 366 | E | 98.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 131.8 | -178.4 | -175.2 | 168.6 | 177.1 | 0 | 0 | 112.8 | A267 L364 S423 S424 L425 T438 V439 I440 | A267-E366 HydrophobicContact CB-CB 4.01Å; A267-E366 HydrophobicContact CB-CG 3.91Å; A267-E366 CarbonylContact O-C 3.4Å; A267-E366 WeakPolarHBondContact O-CA 3.28Å; L364-E366 HydrophobicContact CD2-CB 4.14Å; E366-S423 WeakPolarHBondContact OE2-CB 3.28Å; E366-S424 VanDerWaalsContact CD-N 3.25Å; E366-S424 WeakPolarHBondContact OE1-CB 3.32Å; E366-S424 PolarHBondContact OE1-N 2.91Å; E366-S424 PolarHBondContact OE1-OG 3.31Å; E366-S424 WeakPolarHBondContact OE2-CA 3.39Å; E366-S424 WeakPolarHBondContact OE2-CB 3.38Å; E366-S424 PolarHBondContact OE2-N 3.32Å; E366-L425 PolarHBondContact OE2-N 3.05Å; E366-T438 PolarHBondContact N-O 2.77Å; E366-V439 HydrophobicContact CB-CG2 4.13Å; E366-V439 CarbonylContact O-C 3.14Å; E366-V439 WeakPolarHBondContact O-CA 3.05Å; E366-I440 PolarHBondContact O-N 3.5Å |
| 367 | L | 97.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 115.1 | 171.8 | -55.7 | -178.8 | 0 | 0 | 0 | 108.7 | L266 A267 A268 V291 W292 F365 I370 I440 L474 | L266-L367 HydrophobicContact CD1-CD1 4.25Å; L266-L367 HydrophobicContact CD1-CD2 4.41Å; L266-L367 HydrophobicContact CD1-CG 4.04Å; A267-L367 PolarHBondContact O-N 2.92Å; A268-L367 HydrophobicContact CB-CB 4.1Å; V291-L367 HydrophobicContact CB-CD1 4.09Å; V291-L367 HydrophobicContact CG1-CD1 3.79Å; W292-L367 HydrophobicContact CB-CD1 4.22Å; F365-L367 HydrophobicContact CE1-CD2 3.92Å; F365-L367 HydrophobicContact CZ-CD2 3.92Å; L367-I370 HydrophobicContact CB-CD1 3.7Å; L367-I370 HydrophobicContact CD2-CD1 4.12Å; L367-I370 HydrophobicContact CG-CD1 4.35Å; L367-I440 HydrophobicContact CD2-CG2 3.6Å; L367-L474 HydrophobicContact CD2-CD2 4.31Å |
| 368 | S | 94.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 12% | 0.119 | C | C | . | . | trans | -133.4 | 125.2 | -176.9 | -174.5 | 0 | 0 | 0 | 0 | 111.9 | I440 S441 | S368-I440 PolarHBondContact N-O 2.93Å; S368-I440 VanDerWaalsContact O-O 3.14Å; S368-S441 WeakPolarHBondContact O-CA 3.31Å; S368-S441 WeakPolarHBondContact O-CB 3.08Å | ||
| 369 | H | 88.8 | Confident | 88.7 | Confident | 2 Ų | 2 | 20.9 Ų | 20.9 | 1% | 0.009 | 12% | 0.123 | C | C | . | . | trans | 50.7 | 68.8 | 175.9 | -51.3 | -175.9 | 0 | 0 | 0 | 111.7 | T284 S288 D442 Y443 F447 Y452 | T284-H369 HydrophobicContact CG2-CB 3.55Å; T284-H369 VanDerWaalsContact CG2-CG 3.41Å; S288-H369 PolarHBondContact OG-N 3.47Å; S288-H369 VanDerWaalsContact OG-N 3.09Å; H369-D442 WeakPolarHBondContact O-CB 3.42Å; H369-D442 PolarHBondContact O-N 3.45Å; H369-Y443 HydrophobicContact CB-CD1 4.28Å; H369-Y443 HydrophobicContact CB-CE1 3.72Å; H369-Y443 AromaticContact CG-CE1 3.74Å; H369-Y443 AromaticContact ND1-CE1 3.32Å; H369-Y443 VanDerWaalsContact ND1-CE1 3.32Å; H369-Y443 WeakPolarHBondContact ND1-CE1 3.36Å; H369-Y443 AromaticContact ND1-CZ 3.93Å; H369-F447 AromaticContact CE1-CD1 3.96Å; H369-F447 AromaticContact CE1-CE1 3.59Å; H369-F447 AromaticContact CE1-CE2 3.83Å; H369-F447 AromaticContact CE1-CZ 3.52Å; H369-F447 AromaticContact ND1-CD1 3.72Å; H369-F447 AromaticContact ND1-CE1 3.76Å; H369-Y452 AromaticContact CE1-CD2 3.79Å; H369-Y452 AromaticContact CE1-CE2 3.18Å; H369-Y452 WeakPolarHBondContact CE1-CE2 3.34Å; H369-Y452 AromaticContact CE1-CZ 3.75Å; H369-Y452 AromaticContact NE2-CE2 3.3Å; H369-Y452 VanDerWaalsContact NE2-CE2 3.3Å; H369-Y452 WeakPolarHBondContact NE2-CE2 3.31Å; H369-Y452 AromaticContact NE2-CZ 3.89Å | ||
| 370 | I | 91 | Very high | 88.8 | Confident | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 11% | 0.107 | C | C | . | . | trans | -103.6 | 86.6 | 175.8 | -58.3 | 153.7 | 0 | 0 | 0 | 106.7 | G287 S288 V291 L367 F467 L470 L474 | G287-I370 CarbonylContact C-O 3.48Å; G287-I370 VanDerWaalsContact CA-O 3.3Å; G287-I370 WeakPolarHBondContact CA-O 3.35Å; S288-I370 PolarHBondContact OG-N 3.2Å; V291-I370 HydrophobicContact CG2-CD1 4.36Å; V291-I370 HydrophobicContact CG2-CG2 4.33Å; L367-I370 HydrophobicContact CB-CD1 3.7Å; L367-I370 HydrophobicContact CD2-CD1 4.12Å; L367-I370 HydrophobicContact CG-CD1 4.35Å; I370-F467 HydrophobicContact CG2-CE2 4.22Å; I370-F467 WeakPolarHBondContact O-CE2 3.36Å; I370-L470 HydrophobicContact CG2-CD2 4.09Å; I370-L474 HydrophobicContact CD1-CD2 3.45Å; I370-L474 VanDerWaalsContact CD1-CD2 3.45Å; I370-L474 HydrophobicContact CG1-CD2 4.06Å; I370-L474 HydrophobicContact CG2-CD2 4.16Å | ||
| 371 | T | 84.5 | Confident | 88.7 | Confident | 2 Ų | 2 | 18 Ų | 18 | 1% | 0.012 | 10% | 0.104 | C | C | . | . | trans | -145.4 | -10.6 | -179.3 | 59.6 | 0 | 0 | 0 | 0 | 114.4 | T283 S373 D442 R461 I462 | T283-T371 WeakPolarHBondContact O-CG2 3.48Å; T371-S373 PolarHBondContact O-N 2.94Å; T371-D442 PolarHBondContact N-OD2 3.49Å; T371-D442 PolarHBondContact OG1-OD2 2.87Å; T371-R461 PolarHBondContact O-NE 3.29Å; T371-R461 VanDerWaalsContact O-NE 3.16Å; T371-R461 PolarHBondContact OG1-NH2 3.07Å; T371-I462 HydrophobicContact CG2-CG2 4.42Å | ||
| 372 | D | 71.9 | Confident | 88.7 | Confident | 17 Ų | 17 | 18 Ų | 18 | 9% | 0.091 | 10% | 0.104 | C | C | . | . | trans | -68 | 122.9 | 178.1 | -168.9 | 18.6 | 0 | 0 | 0 | 109.7 | D374 S375 D442 R461 | D372-D374 PolarHBondContact OD1-N 2.79Å; D372-D374 VanDerWaalsContact OD1-N 3.12Å; D372-S375 PolarHBondContact OD2-OG 2.75Å; D372-D442 HydrophobicContact CB-CB 3.58Å; D372-D442 WeakPolarHBondContact CB-OD2 3.36Å; D372-D442 PolarHBondContact N-OD2 3.2Å; D372-R461 IonicContact OD1-NH1 3.87Å | ||
| 373 | S | 60.8 | Low | 88.6 | Confident | 8 Ų | 8 | 17.7 Ų | 17.7 | 6% | 0.056 | 10% | 0.1 | C | C | . | . | trans | -116.2 | -4.2 | -176.6 | 56.9 | 0 | 0 | 0 | 0 | 111.9 | T371 N464 V466 | T371-S373 PolarHBondContact O-N 2.94Å; S373-N464 VanDerWaalsContact CB-CB 3.48Å; S373-N464 WeakPolarHBondContact CB-ND2 3.09Å; S373-N464 WeakPolarHBondContact OG-CB 3.29Å; S373-N464 PolarHBondContact OG-ND2 3.49Å; S373-V466 WeakPolarHBondContact O-CB 3.34Å; S373-V466 WeakPolarHBondContact O-CG1 3.14Å | ||
| 374 | D | 65.7 | Low | 88.4 | Confident | 137 Ų | 137 | 18 Ų | 18 | 73% | 0.733 | 10% | 0.103 | S | C | * | . | S | Bend | trans | -85.5 | -41.9 | -177.3 | -65.6 | -27.8 | 0 | 0 | 0 | 111 | D372 | D372-D374 PolarHBondContact OD1-N 2.79Å; D372-D374 VanDerWaalsContact OD1-N 3.12Å |
| 375 | S | 71.1 | Confident | 88.2 | Confident | 67 Ų | 67 | 19.1 Ų | 19.1 | 47% | 0.469 | 11% | 0.111 | S | C | . | . | S | Bend | trans | -95.4 | -28 | 179.5 | 70.6 | 0 | 0 | 0 | 0 | 113.6 | D372 Q377 | D372-S375 PolarHBondContact OD2-OG 2.75Å; S375-Q377 PolarHBondContact O-N 3.16Å; S375-Q377 VanDerWaalsContact O-N 3.09Å; S375-Q377 WeakPolarHBondContact OG-CB 3.41Å; S375-Q377 PolarHBondContact OG-N 2.94Å |
| 376 | G | 77.4 | Confident | 88 | Confident | 22 Ų | 22 | 19.3 Ų | 19.3 | 23% | 0.227 | 11% | 0.112 | C | C | . | . | trans | 57.9 | 14.7 | -168.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 377 | Q | 88 | Confident | 87.8 | Confident | 45 Ų | 45 | 21 Ų | 21 | 21% | 0.21 | 12% | 0.119 | C | C | . | . | trans | -96.2 | 128.7 | -172 | -176.8 | 59.6 | 54.9 | 0 | 0 | 109.9 | S375 Y379 S410 S412 | S375-Q377 PolarHBondContact O-N 3.16Å; S375-Q377 VanDerWaalsContact O-N 3.09Å; S375-Q377 WeakPolarHBondContact OG-CB 3.41Å; S375-Q377 PolarHBondContact OG-N 2.94Å; Q377-Y379 HydrophobicContact CB-CE2 4.3Å; Q377-Y379 HydrophobicContact CG-CE1 4.19Å; Q377-Y379 HydrophobicContact CG-CE2 3.71Å; Q377-Y379 WeakPolarHBondContact CG-OH 3.4Å; Q377-S410 PolarHBondContact NE2-O 3.27Å; Q377-S410 PolarHBondContact OE1-O 3.13Å; Q377-S412 VanDerWaalsContact NE2-N 3.17Å; Q377-S412 PolarHBondContact NE2-OG 2.05Å | ||
| 378 | L | 94.3 | Very high | 87.6 | Confident | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | trans | -109.2 | 156.4 | 173.6 | -61.6 | 175.4 | 0 | 0 | 0 | 110.8 | F408 I411 S412 I440 S441 D442 L470 L474 | L378-F408 HydrophobicContact CD1-CD1 4.42Å; L378-F408 HydrophobicContact CD1-CE1 3.77Å; L378-F408 HydrophobicContact CD1-CZ 4.48Å; L378-I411 HydrophobicContact CB-CG1 4.18Å; L378-I411 HydrophobicContact CD1-CG1 4.47Å; L378-S412 WeakPolarHBondContact O-CB 3.48Å; L378-S412 PolarHBondContact O-N 3.16Å; L378-I440 HydrophobicContact CB-CD1 4.02Å; L378-I440 HydrophobicContact CB-CG1 4.06Å; L378-I440 HydrophobicContact CD1-CD1 3.86Å; L378-I440 HydrophobicContact CD1-CG1 4.35Å; L378-S441 CarbonylContact C-O 3.34Å; L378-S441 WeakPolarHBondContact CA-O 3.22Å; L378-D442 HydrophobicContact CD2-CB 4.18Å; L378-L470 HydrophobicContact CD1-CD1 3.83Å; L378-L470 HydrophobicContact CD1-CG 4.48Å; L378-L470 HydrophobicContact CD2-CD1 4.26Å; L378-L470 HydrophobicContact CD2-CD2 4.15Å; L378-L470 HydrophobicContact CG-CD1 3.87Å; L378-L474 HydrophobicContact CD1-CB 4.26Å; L378-L474 HydrophobicContact CD1-CD1 4.06Å; L378-L474 HydrophobicContact CD1-CD2 3.89Å; L378-L474 HydrophobicContact CD1-CG 4.3Å | ||
| 379 | Y | 95 | Very high | 87.6 | Confident | 48 Ų | 48 | 34.9 Ų | 34.9 | 19% | 0.188 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 133 | -179.5 | -58.7 | -91.6 | 0 | 0 | 0 | 109.4 | Q377 H381 I440 S441 Y443 Q444 | Q377-Y379 HydrophobicContact CB-CE2 4.3Å; Q377-Y379 HydrophobicContact CG-CE1 4.19Å; Q377-Y379 HydrophobicContact CG-CE2 3.71Å; Q377-Y379 WeakPolarHBondContact CG-OH 3.4Å; Y379-H381 PolarHBondContact O-CD2 2.83Å; Y379-I440 WeakPolarHBondContact O-CA 3.37Å; Y379-S441 PolarHBondContact N-O 3.28Å; Y379-S441 PolarHBondContact O-N 2.91Å; Y379-Y443 WeakPolarHBondContact CB-O 3.3Å; Y379-Q444 HydrophobicContact CD1-CB 3.61Å; Y379-Q444 HydrophobicContact CD1-CG 3.91Å; Y379-Q444 HydrophobicContact CD2-CB 4.37Å; Y379-Q444 HydrophobicContact CE1-CB 3.74Å; Y379-Q444 HydrophobicContact CE1-CG 4.26Å; Y379-Q444 HydrophobicContact CE2-CB 4.48Å; Y379-Q444 HydrophobicContact CG-CB 3.94Å |
| 380 | L | 96.6 | Very high | 87.8 | Confident | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 147.6 | 169.4 | -162.9 | 62.7 | 0 | 0 | 0 | 109.6 | F400 R401 L404 S412 F414 T438 V439 | L380-F400 HydrophobicContact CD1-CE1 4.03Å; L380-F400 HydrophobicContact CD2-CE1 4.41Å; L380-R401 HydrophobicContact CD2-CB 4.35Å; L380-R401 HydrophobicContact CD2-CG 4.1Å; L380-L404 HydrophobicContact CD1-CD2 4.11Å; L380-S412 PolarHBondContact N-O 3.2Å; L380-F414 HydrophobicContact CD2-CD1 4.02Å; L380-F414 HydrophobicContact CD2-CE1 4.48Å; L380-F414 HydrophobicContact CG-CD1 4.3Å; L380-F414 WeakPolarHBondContact O-CA 3.15Å; L380-F414 WeakPolarHBondContact O-CB 3.45Å; L380-T438 HydrophobicContact CD1-CG2 4.32Å; L380-V439 CarbonylContact C-O 3.12Å |
| 381 | H | 96.8 | Very high | 88 | Confident | 9 Ų | 9 | 42 Ų | 42 | 4% | 0.042 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 145.1 | 177 | -56.1 | -93.1 | 0 | 0 | 0 | 110.5 | Y379 L420 P421 T438 V439 S441 Y443 Q444 | Y379-H381 PolarHBondContact O-CD2 2.83Å; H381-L420 HydrophobicContact CB-CD1 4.24Å; H381-P421 HydrophobicContact CB-CG 4.13Å; H381-T438 WeakPolarHBondContact O-CA 3.43Å; H381-V439 HydrophobicContact CB-CB 4.25Å; H381-V439 PolarHBondContact N-O 3.25Å; H381-V439 PolarHBondContact O-N 3.02Å; H381-S441 PolarHBondContact NE2-OG 3.26Å; H381-Y443 PolarHBondContact CE1-O 2.79Å; H381-Y443 PolarHBondContact NE2-O 2.94Å; H381-Q444 PolarHBondContact CE1-O 3.27Å |
| 382 | V | 96.9 | Very high | 88.5 | Confident | 4 Ų | 4 | 49.5 Ų | 49.5 | 2% | 0.024 | 26% | 0.26 | C | S | . | . | trans | -142.1 | 155.1 | 179.5 | -61 | 0 | 0 | 0 | 0 | 109.8 | P384 Y387 I397 F414 T438 | V382-P384 VanDerWaalsContact O-CD 3.29Å; V382-P384 WeakPolarHBondContact O-CD 3.41Å; V382-Y387 HydrophobicContact CG2-CG 4.43Å; V382-I397 HydrophobicContact CG1-CD1 4.33Å; V382-I397 HydrophobicContact CG1-CG2 3.87Å; V382-F414 HydrophobicContact CB-CG 4.49Å; V382-F414 HydrophobicContact CG1-CD1 3.8Å; V382-F414 HydrophobicContact CG1-CE1 4.01Å; V382-F414 HydrophobicContact CG1-CG 4.1Å; V382-F414 HydrophobicContact CG1-CZ 4.49Å; V382-F414 HydrophobicContact CG2-CB 4.21Å; V382-F414 HydrophobicContact CG2-CD1 4.11Å; V382-F414 HydrophobicContact CG2-CD2 3.38Å; V382-F414 HydrophobicContact CG2-CE1 4.34Å; V382-F414 HydrophobicContact CG2-CE2 3.65Å; V382-F414 HydrophobicContact CG2-CG 3.64Å; V382-F414 HydrophobicContact CG2-CZ 4.13Å; V382-T438 HydrophobicContact CG1-CG2 3.94Å | ||
| 383 | D | 96.2 | Very high | 89.6 | Confident | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.011 | 26% | 0.257 | C | S | . | . | trans | -70.9 | 121 | 169.4 | 172.5 | 44.9 | 0 | 0 | 0 | 110.3 | Y139 S385 S386 Y387 L429 R433 | Y139-D383 WeakPolarHBondContact CE1-OD1 3.31Å; Y139-D383 PolarHBondContact OH-OD1 3.33Å; D383-S385 PolarHBondContact O-N 2.87Å; D383-S385 PolarHBondContact OD1-N 3.15Å; D383-S385 WeakPolarHBondContact OD2-CB 3.1Å; D383-S385 PolarHBondContact OD2-N 2.95Å; D383-S386 PolarHBondContact O-N 3.3Å; D383-S386 WeakPolarHBondContact OD2-CB 3.05Å; D383-S386 PolarHBondContact OD2-N 3.32Å; D383-S386 PolarHBondContact OD2-OG 3.31Å; D383-S386 VanDerWaalsContact OD2-OG 3.07Å; D383-Y387 WeakPolarHBondContact O-CB 3.44Å; D383-Y387 PolarHBondContact O-N 3.45Å; D383-L429 HydrophobicContact CB-CD1 3.79Å; D383-R433 IonicContact OD2-NH1 3.74Å | ||
| 384 | P | 94.7 | Very high | 91.3 | Very high | 10 Ų | 10 | 52.5 Ų | 52.5 | 7% | 0.065 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -55.3 | -37.3 | 178.1 | -30.7 | 38.7 | 0 | 0 | 0 | 113.6 | Y145 V382 K388 S416 L418 | Y145-P384 HydrophobicContact CE2-CB 4.39Å; Y145-P384 HydrophobicContact CE2-CG 4.41Å; V382-P384 VanDerWaalsContact O-CD 3.29Å; V382-P384 WeakPolarHBondContact O-CD 3.41Å; P384-K388 WeakPolarHBondContact O-CB 3.5Å; P384-K388 PolarHBondContact O-N 3.36Å; P384-S416 WeakPolarHBondContact CB-O 3.23Å; P384-S416 WeakPolarHBondContact CG-O 3.32Å; P384-L418 WeakPolarHBondContact CG-O 3.43Å |
| 385 | S | 93.4 | Very high | 92.7 | Very high | 25 Ų | 25 | 50.7 Ų | 50.7 | 18% | 0.175 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -73.2 | -46.1 | -176.3 | -62.5 | 0 | 0 | 0 | 0 | 111.5 | D383 K388 N389 R433 | D383-S385 PolarHBondContact O-N 2.87Å; D383-S385 PolarHBondContact OD1-N 3.15Å; D383-S385 WeakPolarHBondContact OD2-CB 3.1Å; D383-S385 PolarHBondContact OD2-N 2.95Å; S385-K388 PolarHBondContact O-N 2.9Å; S385-N389 VanDerWaalsContact O-CB 3.22Å; S385-N389 WeakPolarHBondContact O-CB 3.43Å; S385-N389 PolarHBondContact O-N 2.6Å; S385-N389 PolarHBondContact O-ND2 3.4Å; S385-R433 PolarHBondContact OG-NH1 2.69Å |
| 386 | S | 94 | Very high | 93.9 | Very high | 4 Ų | 4 | 48.7 Ų | 48.7 | 3% | 0.028 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.7 | -47.7 | 173.7 | -72.1 | 0 | 0 | 0 | 0 | 111.4 | D383 K388 H390 R433 | D383-S386 PolarHBondContact O-N 3.3Å; D383-S386 WeakPolarHBondContact OD2-CB 3.05Å; D383-S386 PolarHBondContact OD2-N 3.32Å; D383-S386 PolarHBondContact OD2-OG 3.31Å; D383-S386 VanDerWaalsContact OD2-OG 3.07Å; S386-K388 PolarHBondContact O-N 2.74Å; S386-H390 PolarHBondContact O-N 2.78Å; S386-R433 WeakPolarHBondContact CB-O 3.26Å; S386-R433 PolarHBondContact OG-O 2.97Å |
| 387 | Y | 95.1 | Very high | 94.9 | Very high | 37 Ų | 37 | 47.8 Ų | 47.8 | 15% | 0.145 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.2 | -39 | -179.4 | -171.2 | -99.7 | 0 | 0 | 0 | 112.8 | V382 D383 K394 I397 D398 F414 | V382-Y387 HydrophobicContact CG2-CG 4.43Å; D383-Y387 WeakPolarHBondContact O-CB 3.44Å; D383-Y387 PolarHBondContact O-N 3.45Å; Y387-K394 HydrophobicContact CD2-CB 4.39Å; Y387-K394 HydrophobicContact CD2-CG 3.97Å; Y387-K394 HydrophobicContact CE1-CD 4.47Å; Y387-K394 HydrophobicContact CE1-CG 4.17Å; Y387-K394 HydrophobicContact CE2-CB 4.35Å; Y387-K394 HydrophobicContact CE2-CG 3.53Å; Y387-K394 HydrophobicContact CG-CG 4.45Å; Y387-K394 WeakPolarHBondContact OH-CE 3.47Å; Y387-I397 HydrophobicContact CD2-CB 4.28Å; Y387-I397 HydrophobicContact CD2-CD1 4.08Å; Y387-I397 HydrophobicContact CD2-CG2 3.94Å; Y387-I397 HydrophobicContact CE2-CB 4.32Å; Y387-I397 HydrophobicContact CE2-CG2 3.88Å; Y387-D398 PolarHBondContact OH-OD1 3.31Å; Y387-D398 PolarHBondContact OH-OD2 3.3Å; Y387-F414 HydrophobicContact CD1-CE2 4.3Å; Y387-F414 HydrophobicContact CD2-CE2 4.36Å; Y387-F414 HydrophobicContact CD2-CZ 4.04Å; Y387-F414 HydrophobicContact CE1-CE2 4.07Å; Y387-F414 HydrophobicContact CE1-CZ 4.2Å; Y387-F414 HydrophobicContact CE2-CE1 4.5Å; Y387-F414 HydrophobicContact CE2-CE2 4.13Å; Y387-F414 AromaticContact CE2-CZ 3.54Å; Y387-F414 HydrophobicContact CE2-CZ 3.54Å; Y387-F414 HydrophobicContact CG-CE2 4.45Å; Y387-F414 AromaticContact CZ-CE2 3.99Å; Y387-F414 AromaticContact CZ-CZ 3.64Å |
| 388 | K | 93.7 | Very high | 95.3 | Very high | 176 Ų | 176 | 47.4 Ų | 47.4 | 77% | 0.765 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -78.5 | -40.9 | -178.7 | -172.5 | 179.3 | 179.4 | -179.5 | 0 | 113.3 | P384 S385 S386 | P384-K388 WeakPolarHBondContact O-CB 3.5Å; P384-K388 PolarHBondContact O-N 3.36Å; S385-K388 PolarHBondContact O-N 2.9Å; S386-K388 PolarHBondContact O-N 2.74Å |
| 389 | N | 93.8 | Very high | 95.3 | Very high | 114 Ų | 114 | 52 Ų | 52 | 61% | 0.61 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -96.2 | -17.5 | -166.2 | -61.6 | -22.5 | 0 | 0 | 0 | 113.9 | S385 | S385-N389 VanDerWaalsContact O-CB 3.22Å; S385-N389 WeakPolarHBondContact O-CB 3.43Å; S385-N389 PolarHBondContact O-N 2.6Å; S385-N389 PolarHBondContact O-ND2 3.4Å |
| 390 | H | 93.8 | Very high | 95.4 | Very high | 66 Ų | 66 | 50.1 Ų | 50.1 | 31% | 0.306 | 25% | 0.253 | S | S | . | . | trans | -118.2 | 101.6 | -177.8 | -60.1 | 92.2 | 0 | 0 | 0 | 111 | S386 K392 T393 K394 | S386-H390 PolarHBondContact O-N 2.78Å; H390-K392 PolarHBondContact O-N 2.85Å; H390-T393 VanDerWaalsContact CB-OG1 3.25Å; H390-T393 WeakPolarHBondContact CB-OG1 3.31Å; H390-T393 WeakPolarHBondContact O-CB 3.19Å; H390-T393 PolarHBondContact O-N 3.17Å; H390-T393 VanDerWaalsContact O-N 3.1Å; H390-K394 PolarHBondContact O-N 3.32Å | ||
| 391 | S | 94.6 | Very high | 95.3 | Very high | 87 Ų | 87 | 53.2 Ų | 53.2 | 61% | 0.608 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -58.9 | -45.8 | -175.8 | 60.8 | 0 | 0 | 0 | 0 | 113.2 | T393 K394 D395 | S391-T393 VanDerWaalsContact C-N 3.25Å; S391-T393 PolarHBondContact O-N 3.08Å; S391-K394 WeakPolarHBondContact O-CB 3.44Å; S391-K394 PolarHBondContact O-N 3.46Å; S391-D395 PolarHBondContact O-N 2.56Å |
| 392 | K | 94.5 | Very high | 95.2 | Very high | 158 Ų | 158 | 55.6 Ų | 55.6 | 69% | 0.687 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -61.5 | -35.6 | 177.1 | -67 | -174.3 | 178.7 | -178.4 | 0 | 112.5 | H390 A396 | H390-K392 PolarHBondContact O-N 2.85Å; K392-A396 PolarHBondContact O-N 2.8Å; K392-A396 VanDerWaalsContact O-N 3.15Å |
| 393 | T | 95.4 | Very high | 95.1 | Very high | 4 Ų | 4 | 56.9 Ų | 56.9 | 3% | 0.025 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -68.9 | -43.7 | 177.2 | -54.6 | 0 | 0 | 0 | 0 | 110.6 | H390 S391 A396 I397 S434 P436 | H390-T393 VanDerWaalsContact CB-OG1 3.25Å; H390-T393 WeakPolarHBondContact CB-OG1 3.31Å; H390-T393 WeakPolarHBondContact O-CB 3.19Å; H390-T393 PolarHBondContact O-N 3.17Å; H390-T393 VanDerWaalsContact O-N 3.1Å; S391-T393 VanDerWaalsContact C-N 3.25Å; S391-T393 PolarHBondContact O-N 3.08Å; T393-A396 PolarHBondContact O-N 3.21Å; T393-I397 HydrophobicContact CG2-CD1 3.92Å; T393-I397 VanDerWaalsContact O-CG1 3.3Å; T393-I397 WeakPolarHBondContact O-CG1 3.22Å; T393-I397 PolarHBondContact O-N 3.38Å; T393-S434 PolarHBondContact OG1-O 2.84Å; T393-P436 HydrophobicContact CG2-CB 4.21Å; T393-P436 HydrophobicContact CG2-CG 4.33Å |
| 394 | K | 96.3 | Very high | 95.1 | Very high | 85 Ų | 85 | 56.8 Ų | 56.8 | 37% | 0.37 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -56.3 | -50.2 | 173 | -173.8 | -167.2 | 170.8 | -169.8 | 0 | 111.6 | Y387 H390 S391 A396 I397 D398 | Y387-K394 HydrophobicContact CD2-CB 4.39Å; Y387-K394 HydrophobicContact CD2-CG 3.97Å; Y387-K394 HydrophobicContact CE1-CD 4.47Å; Y387-K394 HydrophobicContact CE1-CG 4.17Å; Y387-K394 HydrophobicContact CE2-CB 4.35Å; Y387-K394 HydrophobicContact CE2-CG 3.53Å; Y387-K394 HydrophobicContact CG-CG 4.45Å; Y387-K394 WeakPolarHBondContact OH-CE 3.47Å; H390-K394 PolarHBondContact O-N 3.32Å; S391-K394 WeakPolarHBondContact O-CB 3.44Å; S391-K394 PolarHBondContact O-N 3.46Å; K394-A396 VanDerWaalsContact C-N 3.33Å; K394-A396 PolarHBondContact O-N 3.24Å; K394-I397 PolarHBondContact O-N 2.9Å; K394-I397 VanDerWaalsContact O-N 3.16Å; K394-D398 WeakPolarHBondContact CE-OD2 3.3Å; K394-D398 PolarHBondContact O-N 3.14Å |
| 395 | D | 96.3 | Very high | 95.1 | Very high | 98 Ų | 98 | 58.5 Ų | 58.5 | 52% | 0.524 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60 | -44 | -178.3 | -62.7 | -24 | 0 | 0 | 0 | 111.2 | S391 I397 D398 E399 | S391-D395 PolarHBondContact O-N 2.56Å; D395-I397 PolarHBondContact O-N 3.05Å; D395-D398 PolarHBondContact O-N 3.01Å; D395-E399 PolarHBondContact O-N 3.14Å |
| 396 | A | 96.2 | Very high | 95 | Very high | 26 Ų | 26 | 63.8 Ų | 63.8 | 22% | 0.215 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.2 | -39.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | F363 K392 T393 K394 F400 P436 | F363-A396 HydrophobicContact CD2-CB 4.41Å; F363-A396 HydrophobicContact CE2-CB 4.4Å; K392-A396 PolarHBondContact O-N 2.8Å; K392-A396 VanDerWaalsContact O-N 3.15Å; T393-A396 PolarHBondContact O-N 3.21Å; K394-A396 VanDerWaalsContact C-N 3.33Å; K394-A396 PolarHBondContact O-N 3.24Å; A396-F400 WeakPolarHBondContact O-CB 3.21Å; A396-F400 PolarHBondContact O-N 2.64Å; A396-P436 HydrophobicContact CB-CB 3.91Å; A396-P436 HydrophobicContact CB-CG 3.84Å |
| 397 | I | 96.8 | Very high | 94.8 | Very high | 2 Ų | 2 | 66.3 Ų | 66.3 | 1% | 0.01 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -66.5 | -42.8 | 175.5 | -71.8 | 168.8 | 0 | 0 | 0 | 110.8 | F363 V382 Y387 T393 K394 D395 F400 R401 F414 P436 T438 | F363-I397 HydrophobicContact CE2-CG1 4.44Å; V382-I397 HydrophobicContact CG1-CD1 4.33Å; V382-I397 HydrophobicContact CG1-CG2 3.87Å; Y387-I397 HydrophobicContact CD2-CB 4.28Å; Y387-I397 HydrophobicContact CD2-CD1 4.08Å; Y387-I397 HydrophobicContact CD2-CG2 3.94Å; Y387-I397 HydrophobicContact CE2-CB 4.32Å; Y387-I397 HydrophobicContact CE2-CG2 3.88Å; T393-I397 HydrophobicContact CG2-CD1 3.92Å; T393-I397 VanDerWaalsContact O-CG1 3.3Å; T393-I397 WeakPolarHBondContact O-CG1 3.22Å; T393-I397 PolarHBondContact O-N 3.38Å; K394-I397 PolarHBondContact O-N 2.9Å; K394-I397 VanDerWaalsContact O-N 3.16Å; D395-I397 PolarHBondContact O-N 3.05Å; I397-F400 PolarHBondContact O-N 3.13Å; I397-R401 VanDerWaalsContact O-CB 3.24Å; I397-R401 WeakPolarHBondContact O-CB 3.49Å; I397-R401 PolarHBondContact O-N 3.47Å; I397-F414 HydrophobicContact CG2-CE1 4.04Å; I397-F414 HydrophobicContact CG2-CZ 4.35Å; I397-P436 HydrophobicContact CG1-CB 4.43Å; I397-T438 HydrophobicContact CG1-CG2 4.35Å; I397-T438 HydrophobicContact CG2-CG2 4.26Å |
| 398 | D | 96.3 | Very high | 94.7 | Very high | 37 Ų | 37 | 65.3 Ų | 65.3 | 20% | 0.198 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -65.9 | -38.3 | 179.3 | -76.4 | -28.6 | 0 | 0 | 0 | 111.4 | Y387 K394 D395 R401 A402 | Y387-D398 PolarHBondContact OH-OD1 3.31Å; Y387-D398 PolarHBondContact OH-OD2 3.3Å; K394-D398 WeakPolarHBondContact CE-OD2 3.3Å; K394-D398 PolarHBondContact O-N 3.14Å; D395-D398 PolarHBondContact O-N 3.01Å; D398-R401 PolarHBondContact O-N 3.22Å; D398-R401 IonicContact OD1-CZ 2.74Å; D398-R401 IonicContact OD1-NH1 2.65Å; D398-R401 PolarHBondContact OD1-NH1 2.81Å; D398-A402 WeakPolarHBondContact O-CB 3.42Å; D398-A402 PolarHBondContact O-N 2.98Å |
| 399 | E | 94.9 | Very high | 94.6 | Very high | 99 Ų | 99 | 61.5 Ų | 61.5 | 46% | 0.463 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.6 | -49.9 | 172.7 | -175.1 | -176.9 | 172.6 | 0 | 0 | 111.4 | D395 R401 A402 L403 G489 | D395-E399 PolarHBondContact O-N 3.14Å; E399-R401 VanDerWaalsContact C-N 3.3Å; E399-R401 PolarHBondContact O-N 3.04Å; E399-A402 PolarHBondContact O-N 3.03Å; E399-L403 WeakPolarHBondContact O-CG 3.45Å; E399-L403 PolarHBondContact O-N 3.06Å; E399-L403 VanDerWaalsContact O-N 3.08Å; E399-G489 WeakPolarHBondContact OE1-CA 3.3Å |
| 400 | F | 96.3 | Very high | 94.3 | Very high | 8 Ų | 8 | 59.4 Ų | 59.4 | 4% | 0.035 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -54.7 | -47.7 | 174.8 | 171.9 | -82.6 | 0 | 0 | 0 | 111.2 | F264 F363 F365 L380 A396 I397 A402 L403 L404 T438 V481 | F264-F400 HydrophobicContact CE2-CD2 4.35Å; F264-F400 HydrophobicContact CE2-CE2 4.35Å; F264-F400 HydrophobicContact CZ-CE2 4.08Å; F363-F400 HydrophobicContact CD1-CD2 4.03Å; F363-F400 HydrophobicContact CD1-CE2 4.34Å; F363-F400 HydrophobicContact CE1-CB 4.32Å; F363-F400 HydrophobicContact CE1-CD1 4.39Å; F363-F400 AromaticContact CE1-CD2 3.3Å; F363-F400 HydrophobicContact CE1-CD2 3.3Å; F363-F400 AromaticContact CE1-CE2 3.61Å; F363-F400 HydrophobicContact CE1-CE2 3.61Å; F363-F400 AromaticContact CE1-CG 3.77Å; F363-F400 HydrophobicContact CE1-CG 3.77Å; F363-F400 HydrophobicContact CE1-CZ 4.32Å; F363-F400 HydrophobicContact CE2-CB 3.71Å; F363-F400 HydrophobicContact CE2-CD2 4.16Å; F363-F400 HydrophobicContact CE2-CG 4.07Å; F363-F400 HydrophobicContact CZ-CB 3.49Å; F363-F400 VanDerWaalsContact CZ-CB 3.49Å; F363-F400 AromaticContact CZ-CD1 3.99Å; F363-F400 HydrophobicContact CZ-CD1 3.99Å; F363-F400 AromaticContact CZ-CD2 3.38Å; F363-F400 HydrophobicContact CZ-CD2 3.38Å; F363-F400 HydrophobicContact CZ-CE2 4.1Å; F363-F400 AromaticContact CZ-CG 3.34Å; F363-F400 HydrophobicContact CZ-CG 3.34Å; F365-F400 HydrophobicContact CB-CE2 4.03Å; F365-F400 HydrophobicContact CB-CZ 4.24Å; F365-F400 HydrophobicContact CD1-CE2 4.1Å; F365-F400 AromaticContact CD1-CZ 3.94Å; F365-F400 HydrophobicContact CD1-CZ 3.94Å; F365-F400 HydrophobicContact CD2-CE1 4.34Å; F365-F400 HydrophobicContact CD2-CE2 4.16Å; F365-F400 AromaticContact CD2-CZ 3.51Å; F365-F400 HydrophobicContact CD2-CZ 3.51Å; F365-F400 HydrophobicContact CE1-CZ 4.12Å; F365-F400 HydrophobicContact CE2-CE1 4.36Å; F365-F400 AromaticContact CE2-CZ 3.7Å; F365-F400 HydrophobicContact CE2-CZ 3.7Å; F365-F400 AromaticContact CG-CE2 3.85Å; F365-F400 HydrophobicContact CG-CE2 3.85Å; F365-F400 AromaticContact CG-CZ 3.63Å; F365-F400 HydrophobicContact CG-CZ 3.63Å; F365-F400 AromaticContact CZ-CZ 3.99Å; F365-F400 HydrophobicContact CZ-CZ 3.99Å; L380-F400 HydrophobicContact CD1-CE1 4.03Å; L380-F400 HydrophobicContact CD2-CE1 4.41Å; A396-F400 WeakPolarHBondContact O-CB 3.21Å; A396-F400 PolarHBondContact O-N 2.64Å; I397-F400 PolarHBondContact O-N 3.13Å; F400-A402 VanDerWaalsContact C-N 3.35Å; F400-A402 PolarHBondContact O-N 3.41Å; F400-L403 PolarHBondContact O-N 3.15Å; F400-L404 HydrophobicContact CE1-CB 4.42Å; F400-L404 HydrophobicContact CE1-CD2 3.89Å; F400-L404 HydrophobicContact CZ-CD2 4.39Å; F400-L404 WeakPolarHBondContact O-CB 2.97Å; F400-L404 PolarHBondContact O-N 3.14Å; F400-T438 HydrophobicContact CD1-CG2 3.91Å; F400-T438 HydrophobicContact CE1-CG2 4.02Å; F400-T438 VanDerWaalsContact CE1-OG1 3.29Å; F400-T438 WeakPolarHBondContact CE1-OG1 3.21Å; F400-T438 WeakPolarHBondContact CZ-OG1 3.25Å; F400-V481 HydrophobicContact CD2-CG1 3.42Å; F400-V481 VanDerWaalsContact CD2-CG1 3.42Å; F400-V481 HydrophobicContact CE2-CB 4.45Å; F400-V481 HydrophobicContact CE2-CG1 3.47Å; F400-V481 VanDerWaalsContact CE2-CG1 3.47Å; F400-V481 HydrophobicContact CG-CG1 4.42Å; F400-V481 HydrophobicContact CZ-CG1 4.47Å |
| 401 | R | 95.6 | Very high | 94.3 | Very high | 66 Ų | 66 | 56.6 Ų | 56.6 | 25% | 0.249 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -58.5 | -47.1 | 179.9 | -173.1 | -167.4 | 77.9 | -137 | -1.8 | 110.9 | L380 I397 D398 E399 L403 L404 H405 D413 | L380-R401 HydrophobicContact CD2-CB 4.35Å; L380-R401 HydrophobicContact CD2-CG 4.1Å; I397-R401 VanDerWaalsContact O-CB 3.24Å; I397-R401 WeakPolarHBondContact O-CB 3.49Å; I397-R401 PolarHBondContact O-N 3.47Å; D398-R401 PolarHBondContact O-N 3.22Å; D398-R401 IonicContact OD1-CZ 2.74Å; D398-R401 IonicContact OD1-NH1 2.65Å; D398-R401 PolarHBondContact OD1-NH1 2.81Å; E399-R401 VanDerWaalsContact C-N 3.3Å; E399-R401 PolarHBondContact O-N 3.04Å; R401-L403 PolarHBondContact O-N 3.38Å; R401-L404 PolarHBondContact O-N 2.96Å; R401-H405 WeakPolarHBondContact CG-NE2 3.34Å; R401-H405 PolarHBondContact O-CD2 2.88Å; R401-H405 PolarHBondContact O-N 3.31Å; R401-D413 WeakPolarHBondContact CD-OD1 3.11Å; R401-D413 WeakPolarHBondContact CD-OD2 3.27Å; R401-D413 IonicContact CZ-OD2 2.64Å; R401-D413 IonicContact NE-OD2 3.13Å; R401-D413 IonicContact NH1-OD2 3.02Å |
| 402 | A | 95.4 | Very high | 94.2 | Very high | 59 Ų | 59 | 54.2 Ų | 54.2 | 49% | 0.488 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.4 | -43.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | D398 E399 F400 N406 | D398-A402 WeakPolarHBondContact O-CB 3.42Å; D398-A402 PolarHBondContact O-N 2.98Å; E399-A402 PolarHBondContact O-N 3.03Å; F400-A402 VanDerWaalsContact C-N 3.35Å; F400-A402 PolarHBondContact O-N 3.41Å; A402-N406 WeakPolarHBondContact O-CB 3.21Å; A402-N406 PolarHBondContact O-N 3.38Å; A402-N406 VanDerWaalsContact O-N 3.08Å |
| 403 | L | 94.4 | Very high | 94 | Very high | 32 Ų | 32 | 49.8 Ų | 49.8 | 17% | 0.168 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.2 | -42.7 | 176.4 | -70.2 | 176.8 | 0 | 0 | 0 | 112 | E399 F400 R401 N406 T407 V481 N484 | E399-L403 WeakPolarHBondContact O-CG 3.45Å; E399-L403 PolarHBondContact O-N 3.06Å; E399-L403 VanDerWaalsContact O-N 3.08Å; F400-L403 PolarHBondContact O-N 3.15Å; R401-L403 PolarHBondContact O-N 3.38Å; L403-N406 PolarHBondContact O-N 3.42Å; L403-T407 PolarHBondContact O-N 2.91Å; L403-V481 HydrophobicContact CB-CG2 3.91Å; L403-N484 HydrophobicContact CD1-CB 3.89Å; L403-N484 HydrophobicContact CD2-CB 4.39Å |
| 404 | L | 95.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.5 | -47.6 | 179.8 | -170.8 | 71.8 | 0 | 0 | 0 | 111.5 | L380 F400 R401 N406 T407 F408 I411 I440 A477 V481 | L380-L404 HydrophobicContact CD1-CD2 4.11Å; F400-L404 HydrophobicContact CE1-CB 4.42Å; F400-L404 HydrophobicContact CE1-CD2 3.89Å; F400-L404 HydrophobicContact CZ-CD2 4.39Å; F400-L404 WeakPolarHBondContact O-CB 2.97Å; F400-L404 PolarHBondContact O-N 3.14Å; R401-L404 PolarHBondContact O-N 2.96Å; L404-N406 VanDerWaalsContact C-N 3.29Å; L404-N406 PolarHBondContact O-N 2.97Å; L404-T407 PolarHBondContact O-N 3.46Å; L404-F408 PolarHBondContact O-N 3.14Å; L404-I411 HydrophobicContact CD1-CD1 4.05Å; L404-I411 HydrophobicContact CD2-CD1 3.77Å; L404-I411 HydrophobicContact CD2-CG2 4.42Å; L404-I411 HydrophobicContact CG-CD1 3.65Å; L404-I440 HydrophobicContact CD2-CD1 4.38Å; L404-A477 HydrophobicContact CD1-CB 3.91Å; L404-V481 HydrophobicContact CB-CG2 4.19Å; L404-V481 HydrophobicContact CD1-CG2 4.19Å |
| 405 | H | 94.7 | Very high | 93.4 | Very high | 46 Ų | 46 | 51.5 Ų | 51.5 | 21% | 0.213 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67.4 | -28.1 | 177.7 | -72.6 | -63.6 | 0 | 0 | 0 | 113.5 | R401 T407 F408 S409 I411 | R401-H405 WeakPolarHBondContact CG-NE2 3.34Å; R401-H405 PolarHBondContact O-CD2 2.88Å; R401-H405 PolarHBondContact O-N 3.31Å; H405-T407 PolarHBondContact O-N 2.99Å; H405-F408 CarbonylContact O-C 3.45Å; H405-S409 WeakPolarHBondContact O-CA 3.11Å; H405-S409 PolarHBondContact O-N 3Å; H405-S409 VanDerWaalsContact O-N 3.1Å; H405-I411 PolarHBondContact CE1-O 3.31Å; H405-I411 PolarHBondContact ND1-O 3.21Å |
| 406 | N | 91.8 | Very high | 92.7 | Very high | 135 Ų | 135 | 50.4 Ų | 50.4 | 72% | 0.722 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -63.2 | -35.4 | 176.5 | -172.8 | 44.6 | 0 | 0 | 0 | 111.6 | A402 L403 L404 | A402-N406 WeakPolarHBondContact O-CB 3.21Å; A402-N406 PolarHBondContact O-N 3.38Å; A402-N406 VanDerWaalsContact O-N 3.08Å; L403-N406 PolarHBondContact O-N 3.42Å; L404-N406 VanDerWaalsContact C-N 3.29Å; L404-N406 PolarHBondContact O-N 2.97Å |
| 407 | T | 89.9 | Confident | 92.2 | Very high | 58 Ų | 58 | 54 Ų | 54 | 36% | 0.356 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -90.3 | -34.6 | 177.9 | -49.8 | 0 | 0 | 0 | 0 | 112.7 | L403 L404 H405 A477 N480 | L403-T407 PolarHBondContact O-N 2.91Å; L404-T407 PolarHBondContact O-N 3.46Å; H405-T407 PolarHBondContact O-N 2.99Å; T407-A477 HydrophobicContact CG2-CB 3.92Å; T407-N480 PolarHBondContact OG1-ND2 2.83Å |
| 408 | F | 93.1 | Very high | 92 | Very high | 15 Ų | 15 | 54.7 Ų | 54.7 | 7% | 0.066 | 31% | 0.308 | C | S | . | . | trans | -135.4 | 77.2 | -178.4 | -163.6 | 176.2 | 0 | 0 | 0 | 110.9 | L378 L404 H405 S410 I411 L470 K473 L474 A477 | L378-F408 HydrophobicContact CD1-CD1 4.42Å; L378-F408 HydrophobicContact CD1-CE1 3.77Å; L378-F408 HydrophobicContact CD1-CZ 4.48Å; L404-F408 PolarHBondContact O-N 3.14Å; H405-F408 CarbonylContact O-C 3.45Å; F408-S410 PolarHBondContact O-N 2.95Å; F408-S410 VanDerWaalsContact O-N 3.14Å; F408-I411 HydrophobicContact CB-CD1 3.71Å; F408-I411 HydrophobicContact CB-CG1 4.1Å; F408-I411 HydrophobicContact CD1-CD1 3.69Å; F408-I411 HydrophobicContact CD1-CG1 3.82Å; F408-I411 HydrophobicContact CD2-CG1 4.31Å; F408-I411 HydrophobicContact CE1-CG1 4.33Å; F408-I411 HydrophobicContact CG-CD1 3.81Å; F408-I411 HydrophobicContact CG-CG1 3.8Å; F408-I411 WeakPolarHBondContact O-CG1 3.03Å; F408-I411 PolarHBondContact O-N 2.04Å; F408-I411 VanDerWaalsContact O-N 3.13Å; F408-L470 HydrophobicContact CE1-CD1 4.02Å; F408-L470 HydrophobicContact CZ-CD1 3.84Å; F408-K473 HydrophobicContact CD1-CB 4.01Å; F408-K473 HydrophobicContact CE1-CB 3.73Å; F408-K473 HydrophobicContact CE2-CB 4.39Å; F408-K473 HydrophobicContact CE2-CD 4.22Å; F408-K473 HydrophobicContact CG-CB 4.48Å; F408-K473 HydrophobicContact CZ-CB 3.95Å; F408-K473 HydrophobicContact CZ-CD 4.19Å; F408-L474 HydrophobicContact CE1-CB 4.37Å; F408-A477 HydrophobicContact CB-CB 3.9Å | ||
| 409 | S | 90.6 | Very high | 91.9 | Very high | 97 Ų | 97 | 53.1 Ų | 53.1 | 68% | 0.678 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -22.9 | -174.1 | 58.2 | 0 | 0 | 0 | 0 | 114.6 | H405 I411 | H405-S409 WeakPolarHBondContact O-CA 3.11Å; H405-S409 PolarHBondContact O-N 3Å; H405-S409 VanDerWaalsContact O-N 3.1Å; S409-I411 VanDerWaalsContact C-N 3.26Å; S409-I411 PolarHBondContact O-N 2.86Å |
| 410 | S | 89.3 | Confident | 91.9 | Very high | 70 Ų | 70 | 48.5 Ų | 48.5 | 49% | 0.49 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -11.7 | 177.9 | -52 | 0 | 0 | 0 | 0 | 113.8 | Q377 F408 S412 | Q377-S410 PolarHBondContact NE2-O 3.27Å; Q377-S410 PolarHBondContact OE1-O 3.13Å; F408-S410 PolarHBondContact O-N 2.95Å; F408-S410 VanDerWaalsContact O-N 3.14Å; S410-S412 PolarHBondContact O-N 3.48Å |
| 411 | I | 92.6 | Very high | 91.9 | Very high | 6 Ų | 6 | 48.1 Ų | 48.1 | 3% | 0.031 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -61.8 | 131 | 175.6 | -64 | 170.6 | 0 | 0 | 0 | 108.7 | L378 L404 H405 F408 S409 I440 | L378-I411 HydrophobicContact CB-CG1 4.18Å; L378-I411 HydrophobicContact CD1-CG1 4.47Å; L404-I411 HydrophobicContact CD1-CD1 4.05Å; L404-I411 HydrophobicContact CD2-CD1 3.77Å; L404-I411 HydrophobicContact CD2-CG2 4.42Å; L404-I411 HydrophobicContact CG-CD1 3.65Å; H405-I411 PolarHBondContact CE1-O 3.31Å; H405-I411 PolarHBondContact ND1-O 3.21Å; F408-I411 HydrophobicContact CB-CD1 3.71Å; F408-I411 HydrophobicContact CB-CG1 4.1Å; F408-I411 HydrophobicContact CD1-CD1 3.69Å; F408-I411 HydrophobicContact CD1-CG1 3.82Å; F408-I411 HydrophobicContact CD2-CG1 4.31Å; F408-I411 HydrophobicContact CE1-CG1 4.33Å; F408-I411 HydrophobicContact CG-CD1 3.81Å; F408-I411 HydrophobicContact CG-CG1 3.8Å; F408-I411 WeakPolarHBondContact O-CG1 3.03Å; F408-I411 PolarHBondContact O-N 2.04Å; F408-I411 VanDerWaalsContact O-N 3.13Å; S409-I411 VanDerWaalsContact C-N 3.26Å; S409-I411 PolarHBondContact O-N 2.86Å; I411-I440 HydrophobicContact CD1-CD1 3.76Å; I411-I440 HydrophobicContact CG1-CD1 4.29Å; I411-I440 HydrophobicContact CG2-CD1 4.25Å |
| 412 | S | 92.9 | Very high | 91.9 | Very high | 38 Ų | 38 | 45.4 Ų | 45.4 | 27% | 0.266 | 27% | 0.267 | S | S | . | . | B | Isolated β-bridge | trans | -81.4 | 140.1 | 175.5 | -76.2 | 0 | 0 | 0 | 0 | 110.2 | Q377 L378 L380 S410 | Q377-S412 VanDerWaalsContact NE2-N 3.17Å; Q377-S412 PolarHBondContact NE2-OG 2.05Å; L378-S412 WeakPolarHBondContact O-CB 3.48Å; L378-S412 PolarHBondContact O-N 3.16Å; L380-S412 PolarHBondContact N-O 3.2Å; S410-S412 PolarHBondContact O-N 3.48Å |
| 413 | D | 89.9 | Confident | 91.9 | Very high | 65 Ų | 65 | 42.7 Ų | 42.7 | 35% | 0.348 | 25% | 0.245 | S | C | . | . | P | Polyproline II helix | trans | -69.3 | 159.4 | 179.1 | -151.3 | -11.7 | 0 | 0 | 0 | 112 | R401 | R401-D413 WeakPolarHBondContact CD-OD1 3.11Å; R401-D413 WeakPolarHBondContact CD-OD2 3.27Å; R401-D413 IonicContact CZ-OD2 2.64Å; R401-D413 IonicContact NE-OD2 3.13Å; R401-D413 IonicContact NH1-OD2 3.02Å |
| 414 | F | 89.8 | Confident | 92.1 | Very high | 25 Ų | 25 | 41.2 Ų | 41.2 | 11% | 0.11 | 24% | 0.237 | C | C | . | . | P | Polyproline II helix | trans | -71.4 | 150.5 | 178.3 | 56.7 | -97.5 | 0 | 0 | 0 | 111.7 | L380 V382 Y387 I397 | L380-F414 HydrophobicContact CD2-CD1 4.02Å; L380-F414 HydrophobicContact CD2-CE1 4.48Å; L380-F414 HydrophobicContact CG-CD1 4.3Å; L380-F414 WeakPolarHBondContact O-CA 3.15Å; L380-F414 WeakPolarHBondContact O-CB 3.45Å; V382-F414 HydrophobicContact CB-CG 4.49Å; V382-F414 HydrophobicContact CG1-CD1 3.8Å; V382-F414 HydrophobicContact CG1-CE1 4.01Å; V382-F414 HydrophobicContact CG1-CG 4.1Å; V382-F414 HydrophobicContact CG1-CZ 4.49Å; V382-F414 HydrophobicContact CG2-CB 4.21Å; V382-F414 HydrophobicContact CG2-CD1 4.11Å; V382-F414 HydrophobicContact CG2-CD2 3.38Å; V382-F414 HydrophobicContact CG2-CE1 4.34Å; V382-F414 HydrophobicContact CG2-CE2 3.65Å; V382-F414 HydrophobicContact CG2-CG 3.64Å; V382-F414 HydrophobicContact CG2-CZ 4.13Å; Y387-F414 HydrophobicContact CD1-CE2 4.3Å; Y387-F414 HydrophobicContact CD2-CE2 4.36Å; Y387-F414 HydrophobicContact CD2-CZ 4.04Å; Y387-F414 HydrophobicContact CE1-CE2 4.07Å; Y387-F414 HydrophobicContact CE1-CZ 4.2Å; Y387-F414 HydrophobicContact CE2-CE1 4.5Å; Y387-F414 HydrophobicContact CE2-CE2 4.13Å; Y387-F414 AromaticContact CE2-CZ 3.54Å; Y387-F414 HydrophobicContact CE2-CZ 3.54Å; Y387-F414 HydrophobicContact CG-CE2 4.45Å; Y387-F414 AromaticContact CZ-CE2 3.99Å; Y387-F414 AromaticContact CZ-CZ 3.64Å; I397-F414 HydrophobicContact CG2-CE1 4.04Å; I397-F414 HydrophobicContact CG2-CZ 4.35Å |
| 415 | K | 89.3 | Confident | 92.3 | Very high | 99 Ų | 99 | 41.2 Ų | 41.2 | 43% | 0.43 | 24% | 0.237 | S | C | . | . | trans | -95.3 | 111 | 169.6 | -80.6 | -177.5 | 173.1 | 168.3 | 0 | 109.1 | D417 L418 Q444 | K415-D417 WeakPolarHBondContact CB-OD1 3.43Å; K415-D417 PolarHBondContact O-N 3.39Å; K415-L418 HydrophobicContact CB-CB 4.29Å; K415-L418 HydrophobicContact CB-CD1 3.85Å; K415-L418 HydrophobicContact CB-CG 3.86Å; K415-L418 HydrophobicContact CD-CD1 3.87Å; K415-L418 HydrophobicContact CD-CG 4.38Å; K415-L418 HydrophobicContact CG-CD1 4.45Å; K415-L418 PolarHBondContact O-N 2.91Å; K415-Q444 HydrophobicContact CD-CG 4.25Å; K415-Q444 VanDerWaalsContact CE-NE2 3.29Å; K415-Q444 VanDerWaalsContact CE-OE1 3.32Å | ||
| 416 | S | 81.1 | Confident | 92.4 | Very high | 75 Ų | 75 | 39.1 Ų | 39.1 | 52% | 0.524 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -12.3 | -175.6 | 56.7 | 0 | 0 | 0 | 0 | 114.7 | P384 | P384-S416 WeakPolarHBondContact CB-O 3.23Å; P384-S416 WeakPolarHBondContact CG-O 3.32Å |
| 417 | D | 86.1 | Confident | 92.7 | Very high | 102 Ų | 102 | 33 Ų | 33 | 55% | 0.545 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -13.6 | 176.6 | 61.6 | -47.1 | 0 | 0 | 0 | 113.6 | Y145 K415 | Y145-D417 WeakPolarHBondContact CE1-O 3.33Å; K415-D417 WeakPolarHBondContact CB-OD1 3.43Å; K415-D417 PolarHBondContact O-N 3.39Å |
| 418 | L | 92.9 | Very high | 93 | Very high | 16 Ų | 16 | 30.2 Ų | 30.2 | 8% | 0.084 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -88.1 | 141.3 | 177.6 | -66.5 | -177.3 | 0 | 0 | 0 | 111.4 | P384 K415 Q444 K445 | P384-L418 WeakPolarHBondContact CG-O 3.43Å; K415-L418 HydrophobicContact CB-CB 4.29Å; K415-L418 HydrophobicContact CB-CD1 3.85Å; K415-L418 HydrophobicContact CB-CG 3.86Å; K415-L418 HydrophobicContact CD-CD1 3.87Å; K415-L418 HydrophobicContact CD-CG 4.38Å; K415-L418 HydrophobicContact CG-CD1 4.45Å; K415-L418 PolarHBondContact O-N 2.91Å; L418-Q444 HydrophobicContact CD1-CG 4.22Å; L418-K445 HydrophobicContact CD1-CB 4.36Å; L418-K445 HydrophobicContact CD2-CD 4.49Å |
| 419 | P | 94.5 | Very high | 93.2 | Very high | 4 Ų | 4 | 29.6 Ų | 29.6 | 3% | 0.026 | 18% | 0.176 | C | C | . | . | P | Polyproline II helix | trans | -67.3 | 162.8 | 173 | 27.3 | -30.4 | 0 | 0 | 0 | 111.2 | Y139 Y145 M150 A151 W153 | Y139-P419 HydrophobicContact CD2-CB 4.02Å; Y139-P419 HydrophobicContact CE2-CB 3.57Å; Y145-P419 HydrophobicContact CD1-CB 3.72Å; Y145-P419 HydrophobicContact CD1-CG 3.95Å; Y145-P419 HydrophobicContact CE1-CB 4.45Å; Y145-P419 HydrophobicContact CG-CB 3.91Å; M150-P419 HydrophobicContact CB-CG 4.41Å; A151-P419 HydrophobicContact CB-CG 4.22Å; W153-P419 WeakPolarHBondContact CH2-O 3.37Å; W153-P419 HydrophobicContact CZ2-CG 4.02Å; W153-P419 VanDerWaalsContact CZ2-O 3.24Å; W153-P419 WeakPolarHBondContact CZ2-O 3.22Å |
| 420 | L | 95.2 | Very high | 93.5 | Very high | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.01 | 16% | 0.159 | C | C | . | . | P | Polyproline II helix | trans | -61.6 | 137 | 169.1 | -164.7 | 75.2 | 0 | 0 | 0 | 110.5 | Y139 H381 S423 L425 L429 V439 | Y139-L420 HydrophobicContact CE2-CB 4.01Å; Y139-L420 WeakPolarHBondContact OH-CB 3.15Å; Y139-L420 PolarHBondContact OH-N 3.27Å; Y139-L420 VanDerWaalsContact OH-N 3.16Å; H381-L420 HydrophobicContact CB-CD1 4.24Å; L420-S423 WeakPolarHBondContact CD2-OG 3.26Å; L420-L425 HydrophobicContact CD1-CD2 4.02Å; L420-L425 HydrophobicContact CD2-CB 4Å; L420-L425 HydrophobicContact CD2-CD2 3.72Å; L420-L425 HydrophobicContact CD2-CG 3.85Å; L420-L429 HydrophobicContact CD2-CD1 4.41Å; L420-V439 HydrophobicContact CD1-CB 4.39Å; L420-V439 HydrophobicContact CD1-CG2 3.82Å; L420-V439 HydrophobicContact CD2-CG2 4.49Å; L420-V439 HydrophobicContact CG-CG2 4.3Å |
| 421 | P | 95.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.154 | C | C | . | . | P | Polyproline II helix | trans | -73.6 | 162.4 | 174.3 | 31 | -36.3 | 0 | 0 | 0 | 112.5 | W153 H381 S423 H426 V439 Y443 | W153-P421 HydrophobicContact CD2-CB 4.15Å; W153-P421 HydrophobicContact CE3-CB 4.06Å; W153-P421 HydrophobicContact CH2-CB 3.8Å; W153-P421 HydrophobicContact CH2-CG 4.45Å; W153-P421 HydrophobicContact CZ2-CB 3.88Å; W153-P421 HydrophobicContact CZ3-CB 3.89Å; H381-P421 HydrophobicContact CB-CG 4.13Å; P421-S423 WeakPolarHBondContact O-CB 3.39Å; P421-S423 PolarHBondContact O-N 2.93Å; P421-S423 PolarHBondContact O-OG 3.14Å; P421-H426 PolarHBondContact O-NE2 2.67Å; P421-V439 HydrophobicContact CG-CG1 4.21Å; P421-Y443 HydrophobicContact CB-CE2 3.77Å; P421-Y443 WeakPolarHBondContact CB-OH 3.48Å; P421-Y443 HydrophobicContact CG-CE2 4.34Å |
| 422 | P | 95.5 | Very high | 93.9 | Very high | 9 Ų | 9 | 31.1 Ų | 31.1 | 6% | 0.058 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -53.7 | 114.4 | 178.6 | -25.3 | 34.5 | 0 | 0 | 0 | 111.6 | P132 W153 F447 | P132-P422 HydrophobicContact CB-CG 4.34Å; W153-P422 HydrophobicContact CG-CG 4.43Å; P422-F447 HydrophobicContact CG-CZ 4.3Å |
| 423 | S | 96.9 | Very high | 94 | Very high | 3 Ų | 3 | 33 Ų | 33 | 2% | 0.021 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -160.6 | 155.7 | -169 | 57.4 | 0 | 0 | 0 | 0 | 111 | Y329 E366 L420 P421 L425 H426 | Y329-S423 VanDerWaalsContact CE1-O 3.23Å; Y329-S423 WeakPolarHBondContact CE1-O 3.31Å; E366-S423 WeakPolarHBondContact OE2-CB 3.28Å; L420-S423 WeakPolarHBondContact CD2-OG 3.26Å; P421-S423 WeakPolarHBondContact O-CB 3.39Å; P421-S423 PolarHBondContact O-N 2.93Å; P421-S423 PolarHBondContact O-OG 3.14Å; S423-L425 PolarHBondContact O-N 3.16Å; S423-H426 PolarHBondContact O-CD2 3.39Å; S423-H426 VanDerWaalsContact O-CD2 3.22Å; S423-H426 PolarHBondContact O-N 2.03Å |
| 424 | S | 98.1 | Very high | 94.2 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.007 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -28.1 | 177.5 | -41.8 | 0 | 0 | 0 | 0 | 111.8 | F322 E325 E366 H426 S427 F428 | F322-S424 VanDerWaalsContact CD2-CB 3.44Å; F322-S424 VanDerWaalsContact CD2-OG 3.22Å; F322-S424 WeakPolarHBondContact CD2-OG 3.25Å; E325-S424 VanDerWaalsContact OE2-CA 3.32Å; E325-S424 WeakPolarHBondContact OE2-CA 3.38Å; E325-S424 WeakPolarHBondContact OE2-CB 3.3Å; E325-S424 PolarHBondContact OE2-OG 3.15Å; E366-S424 VanDerWaalsContact CD-N 3.25Å; E366-S424 WeakPolarHBondContact OE1-CB 3.32Å; E366-S424 PolarHBondContact OE1-N 2.91Å; E366-S424 PolarHBondContact OE1-OG 3.31Å; E366-S424 WeakPolarHBondContact OE2-CA 3.39Å; E366-S424 WeakPolarHBondContact OE2-CB 3.38Å; E366-S424 PolarHBondContact OE2-N 3.32Å; S424-H426 PolarHBondContact O-N 2.99Å; S424-H426 VanDerWaalsContact O-N 3.15Å; S424-S427 WeakPolarHBondContact O-CB 3.24Å; S424-S427 PolarHBondContact O-N 2.81Å; S424-F428 WeakPolarHBondContact O-CD2 3.41Å |
| 425 | L | 98 | Very high | 94.6 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -55.4 | -28.8 | 176.8 | 179.6 | 60.9 | 0 | 0 | 0 | 113.3 | L364 E366 L420 S423 S427 F428 L429 V439 | L364-L425 HydrophobicContact CB-CD1 4.15Å; L364-L425 HydrophobicContact CD1-CD1 3.92Å; L364-L425 HydrophobicContact CD2-CB 3.99Å; L364-L425 HydrophobicContact CD2-CD1 3.6Å; L364-L425 HydrophobicContact CD2-CG 4.23Å; L364-L425 HydrophobicContact CG-CD1 4.07Å; E366-L425 PolarHBondContact OE2-N 3.05Å; L420-L425 HydrophobicContact CD1-CD2 4.02Å; L420-L425 HydrophobicContact CD2-CB 4Å; L420-L425 HydrophobicContact CD2-CD2 3.72Å; L420-L425 HydrophobicContact CD2-CG 3.85Å; S423-L425 PolarHBondContact O-N 3.16Å; L425-S427 VanDerWaalsContact C-N 3.28Å; L425-S427 PolarHBondContact O-N 3.46Å; L425-F428 PolarHBondContact O-N 3.38Å; L425-L429 HydrophobicContact CD1-CD1 4.09Å; L425-L429 HydrophobicContact CD1-CD2 4.19Å; L425-L429 HydrophobicContact CD1-CG 3.86Å; L425-L429 HydrophobicContact CD2-CD1 4.17Å; L425-L429 HydrophobicContact CG-CD1 3.81Å; L425-L429 HydrophobicContact CG-CG 4.03Å; L425-L429 WeakPolarHBondContact O-CG 3.27Å; L425-L429 PolarHBondContact O-N 2.73Å; L425-L429 VanDerWaalsContact O-N 3.08Å; L425-V439 HydrophobicContact CB-CG2 4.23Å; L425-V439 HydrophobicContact CD2-CG2 3.92Å |
| 426 | H | 97.3 | Very high | 95 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -57.1 | -40.5 | 173.9 | -74 | -80.7 | 0 | 0 | 0 | 112.5 | L138 Y139 P421 S423 S424 F428 L429 K430 | L138-H426 HydrophobicContact CB-CB 4.37Å; L138-H426 WeakPolarHBondContact CB-ND1 3.35Å; L138-H426 PolarHBondContact N-ND1 3.26Å; Y139-H426 AromaticContact CD2-CE1 3.85Å; Y139-H426 AromaticContact CE2-CE1 3.58Å; P421-H426 PolarHBondContact O-NE2 2.67Å; S423-H426 PolarHBondContact O-CD2 3.39Å; S423-H426 VanDerWaalsContact O-CD2 3.22Å; S423-H426 PolarHBondContact O-N 2.03Å; S424-H426 PolarHBondContact O-N 2.99Å; S424-H426 VanDerWaalsContact O-N 3.15Å; H426-F428 VanDerWaalsContact C-N 3.27Å; H426-F428 PolarHBondContact O-N 3.15Å; H426-L429 PolarHBondContact O-N 3.45Å; H426-K430 WeakPolarHBondContact O-CB 3.32Å; H426-K430 VanDerWaalsContact O-CG 3.26Å; H426-K430 WeakPolarHBondContact O-CG 3.49Å; H426-K430 PolarHBondContact O-N 3.32Å |
| 427 | S | 97.5 | Very high | 95.8 | Very high | 6 Ų | 6 | 22.6 Ų | 22.6 | 4% | 0.042 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.3 | -36.1 | -179.6 | -68 | 0 | 0 | 0 | 0 | 112.3 | Y329 S332 S333 S424 L425 | Y329-S427 WeakPolarHBondContact CB-OG 3.34Å; S332-S427 WeakPolarHBondContact OG-CB 3.29Å; S332-S427 PolarHBondContact OG-OG 3.25Å; S333-S427 PolarHBondContact N-OG 2.65Å; S424-S427 WeakPolarHBondContact O-CB 3.24Å; S424-S427 PolarHBondContact O-N 2.81Å; L425-S427 VanDerWaalsContact C-N 3.28Å; L425-S427 PolarHBondContact O-N 3.46Å |
| 428 | F | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -75.2 | -50.4 | 178.5 | -68.5 | -98.4 | 0 | 0 | 0 | 111.6 | L265 F322 M335 V336 M339 L358 L364 S424 L425 H426 K430 I431 D432 I435 | L265-F428 HydrophobicContact CD1-CE1 4.17Å; L265-F428 HydrophobicContact CD1-CZ 3.97Å; F322-F428 HydrophobicContact CE2-CE2 4.31Å; F322-F428 AromaticContact CZ-CE2 3.88Å; F322-F428 HydrophobicContact CZ-CE2 3.88Å; F322-F428 AromaticContact CZ-CZ 3.98Å; F322-F428 HydrophobicContact CZ-CZ 3.98Å; M335-F428 HydrophobicContact CE-CE1 4.37Å; M335-F428 HydrophobicContact CE-CZ 3.64Å; V336-F428 HydrophobicContact CG2-CD1 3.8Å; V336-F428 HydrophobicContact CG2-CD2 3.94Å; V336-F428 HydrophobicContact CG2-CE1 3.89Å; V336-F428 HydrophobicContact CG2-CE2 4.03Å; V336-F428 HydrophobicContact CG2-CG 3.84Å; V336-F428 HydrophobicContact CG2-CZ 4.01Å; M339-F428 HydrophobicContact SD-CE1 4.26Å; L358-F428 HydrophobicContact CD2-CD1 3.87Å; L358-F428 HydrophobicContact CD2-CE1 4.26Å; L364-F428 HydrophobicContact CD1-CB 4.31Å; L364-F428 HydrophobicContact CD1-CD1 3.97Å; L364-F428 HydrophobicContact CD1-CD2 3.52Å; L364-F428 HydrophobicContact CD1-CE1 4.11Å; L364-F428 HydrophobicContact CD1-CE2 3.68Å; L364-F428 HydrophobicContact CD1-CG 3.67Å; L364-F428 HydrophobicContact CD1-CZ 3.96Å; S424-F428 WeakPolarHBondContact O-CD2 3.41Å; L425-F428 PolarHBondContact O-N 3.38Å; H426-F428 VanDerWaalsContact C-N 3.27Å; H426-F428 PolarHBondContact O-N 3.15Å; F428-K430 PolarHBondContact O-N 2.94Å; F428-I431 PolarHBondContact O-N 2.86Å; F428-D432 PolarHBondContact O-N 2.82Å; F428-I435 HydrophobicContact CB-CD1 4.41Å |
| 429 | L | 97.2 | Very high | 96.6 | Very high | 2 Ų | 2 | 17 Ų | 17 | 1% | 0.01 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -68.5 | -20.2 | -176.3 | -61.9 | -177.2 | 0 | 0 | 0 | 113.3 | L138 D383 L420 L425 H426 I431 R433 I435 | L138-L429 HydrophobicContact CD1-CB 4.23Å; L138-L429 HydrophobicContact CD2-CB 3.85Å; L138-L429 HydrophobicContact CD2-CD1 4.25Å; D383-L429 HydrophobicContact CB-CD1 3.79Å; L420-L429 HydrophobicContact CD2-CD1 4.41Å; L425-L429 HydrophobicContact CD1-CD1 4.09Å; L425-L429 HydrophobicContact CD1-CD2 4.19Å; L425-L429 HydrophobicContact CD1-CG 3.86Å; L425-L429 HydrophobicContact CD2-CD1 4.17Å; L425-L429 HydrophobicContact CG-CD1 3.81Å; L425-L429 HydrophobicContact CG-CG 4.03Å; L425-L429 WeakPolarHBondContact O-CG 3.27Å; L425-L429 PolarHBondContact O-N 2.73Å; L425-L429 VanDerWaalsContact O-N 3.08Å; H426-L429 PolarHBondContact O-N 3.45Å; L429-I431 PolarHBondContact O-N 3.31Å; L429-R433 WeakPolarHBondContact O-CG 3.11Å; L429-I435 HydrophobicContact CD2-CB 4.3Å; L429-I435 WeakPolarHBondContact CD2-O 3.48Å |
| 430 | K | 95.3 | Very high | 96.7 | Very high | 78 Ų | 78 | 16.8 Ų | 16.8 | 34% | 0.339 | 9% | 0.085 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -34.3 | 170.4 | -86.1 | 178.1 | 178 | -173.3 | 0 | 112.6 | H136 D137 L138 H426 F428 | H136-K430 WeakPolarHBondContact O-CE 3.27Å; H136-K430 PolarHBondContact O-NZ 3.34Å; D137-K430 WeakPolarHBondContact O-CE 3.36Å; L138-K430 HydrophobicContact CD1-CB 4.37Å; L138-K430 HydrophobicContact CD1-CG 3.9Å; H426-K430 WeakPolarHBondContact O-CB 3.32Å; H426-K430 VanDerWaalsContact O-CG 3.26Å; H426-K430 WeakPolarHBondContact O-CG 3.49Å; H426-K430 PolarHBondContact O-N 3.32Å; F428-K430 PolarHBondContact O-N 2.94Å |
| 431 | I | 95.3 | Very high | 96.7 | Very high | 75 Ų | 75 | 16.7 Ų | 16.7 | 39% | 0.385 | 8% | 0.084 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -48.6 | -178.5 | -56.9 | -51.7 | 0 | 0 | 0 | 110.5 | V336 Q340 L358 F428 L429 | V336-I431 HydrophobicContact CG1-CB 4.45Å; V336-I431 HydrophobicContact CG1-CG1 3.58Å; Q340-I431 HydrophobicContact CG-CG2 4.27Å; L358-I431 HydrophobicContact CD1-CB 3.98Å; L358-I431 HydrophobicContact CD1-CG2 3.49Å; L358-I431 VanDerWaalsContact CD1-CG2 3.49Å; F428-I431 PolarHBondContact O-N 2.86Å; L429-I431 PolarHBondContact O-N 3.31Å |
| 432 | D | 95.2 | Very high | 96.6 | Very high | 53 Ų | 53 | 16.9 Ų | 16.9 | 28% | 0.283 | 9% | 0.085 | S | C | . | . | trans | -137.3 | 102.3 | -177.7 | -174.8 | -1.2 | 0 | 0 | 0 | 111.3 | F428 S434 I435 | F428-D432 PolarHBondContact O-N 2.82Å; D432-S434 VanDerWaalsContact CG-OG 3.29Å; D432-S434 PolarHBondContact O-N 3.03Å; D432-S434 WeakPolarHBondContact OD1-CA 3.05Å; D432-S434 WeakPolarHBondContact OD1-CB 3.44Å; D432-S434 PolarHBondContact OD1-N 2.86Å; D432-S434 PolarHBondContact OD1-OG 3.18Å; D432-S434 PolarHBondContact OD2-OG 2.85Å; D432-I435 HydrophobicContact CB-CD1 3.93Å; D432-I435 HydrophobicContact CB-CG1 4.06Å; D432-I435 PolarHBondContact O-N 2.86Å | ||
| 433 | R | 95.2 | Very high | 96.4 | Very high | 77 Ų | 77 | 16.7 Ų | 16.7 | 29% | 0.291 | 8% | 0.083 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -6.6 | 176.7 | -70.3 | -165.9 | -178.2 | -154 | 4.2 | 113.9 | D383 S385 S386 L429 I435 | D383-R433 IonicContact OD2-NH1 3.74Å; S385-R433 PolarHBondContact OG-NH1 2.69Å; S386-R433 WeakPolarHBondContact CB-O 3.26Å; S386-R433 PolarHBondContact OG-O 2.97Å; L429-R433 WeakPolarHBondContact O-CG 3.11Å; R433-I435 VanDerWaalsContact C-N 3.33Å |
| 434 | S | 95.3 | Very high | 96.1 | Very high | 31 Ų | 31 | 19 Ų | 19 | 22% | 0.217 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -13.8 | 177.1 | 82.6 | 0 | 0 | 0 | 0 | 113.2 | T393 D432 P436 | T393-S434 PolarHBondContact OG1-O 2.84Å; D432-S434 VanDerWaalsContact CG-OG 3.29Å; D432-S434 PolarHBondContact O-N 3.03Å; D432-S434 WeakPolarHBondContact OD1-CA 3.05Å; D432-S434 WeakPolarHBondContact OD1-CB 3.44Å; D432-S434 PolarHBondContact OD1-N 2.86Å; D432-S434 PolarHBondContact OD1-OG 3.18Å; D432-S434 PolarHBondContact OD2-OG 2.85Å; S434-P436 VanDerWaalsContact O-CD 3.31Å; S434-P436 WeakPolarHBondContact O-CD 3.24Å |
| 435 | I | 97.3 | Very high | 95.7 | Very high | 4 Ų | 4 | 23.8 Ų | 23.8 | 2% | 0.021 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -64.2 | 121 | 175.6 | -61.6 | 173.3 | 0 | 0 | 0 | 109.2 | L358 I361 F428 L429 D432 R433 G437 | L358-I435 HydrophobicContact CD2-CD1 4.48Å; I361-I435 HydrophobicContact CG2-CG2 3.94Å; F428-I435 HydrophobicContact CB-CD1 4.41Å; L429-I435 HydrophobicContact CD2-CB 4.3Å; L429-I435 WeakPolarHBondContact CD2-O 3.48Å; D432-I435 HydrophobicContact CB-CD1 3.93Å; D432-I435 HydrophobicContact CB-CG1 4.06Å; D432-I435 PolarHBondContact O-N 2.86Å; R433-I435 VanDerWaalsContact C-N 3.33Å; I435-G437 PolarHBondContact O-N 2.86Å |
| 436 | P | 97.6 | Very high | 95.4 | Very high | 7 Ų | 7 | 27.5 Ų | 27.5 | 5% | 0.045 | 13% | 0.132 | C | C | . | . | trans | -66.4 | 125.5 | 171.5 | -17 | 31.9 | 0 | 0 | 0 | 110.7 | G362 F363 L364 T393 A396 I397 S434 | G362-P436 WeakPolarHBondContact O-CD 3.11Å; G362-P436 WeakPolarHBondContact O-CG 3.45Å; F363-P436 CarbonylContact C-O 3.51Å; F363-P436 WeakPolarHBondContact CA-O 3.28Å; F363-P436 HydrophobicContact CD2-CB 3.53Å; F363-P436 HydrophobicContact CD2-CG 4.42Å; F363-P436 HydrophobicContact CE2-CB 3.7Å; F363-P436 HydrophobicContact CG-CB 4.32Å; L364-P436 PolarHBondContact N-O 2.85Å; T393-P436 HydrophobicContact CG2-CB 4.21Å; T393-P436 HydrophobicContact CG2-CG 4.33Å; A396-P436 HydrophobicContact CB-CB 3.91Å; A396-P436 HydrophobicContact CB-CG 3.84Å; I397-P436 HydrophobicContact CG1-CB 4.43Å; S434-P436 VanDerWaalsContact O-CD 3.31Å; S434-P436 WeakPolarHBondContact O-CD 3.24Å | ||
| 437 | G | 97.8 | Very high | 95.2 | Very high | 4 Ų | 4 | 28 Ų | 28 | 4% | 0.041 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 131.8 | -170.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L364 I435 | L364-G437 CarbonylContact O-C 3.54Å; L364-G437 VanDerWaalsContact O-CA 3.24Å; L364-G437 WeakPolarHBondContact O-CA 3.32Å; I435-G437 PolarHBondContact O-N 2.86Å |
| 438 | T | 97.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 145.8 | 173.4 | 58.6 | 0 | 0 | 0 | 0 | 110.8 | F363 L364 F365 E366 L380 H381 V382 I397 F400 | F363-T438 HydrophobicContact CE1-CG2 4.3Å; F363-T438 HydrophobicContact CZ-CG2 3.85Å; L364-T438 PolarHBondContact O-N 3.24Å; F365-T438 WeakPolarHBondContact CA-O 3.43Å; F365-T438 VanDerWaalsContact CD2-OG1 3.25Å; F365-T438 WeakPolarHBondContact CD2-OG1 3.16Å; E366-T438 PolarHBondContact N-O 2.77Å; L380-T438 HydrophobicContact CD1-CG2 4.32Å; H381-T438 WeakPolarHBondContact O-CA 3.43Å; V382-T438 HydrophobicContact CG1-CG2 3.94Å; I397-T438 HydrophobicContact CG1-CG2 4.35Å; I397-T438 HydrophobicContact CG2-CG2 4.26Å; F400-T438 HydrophobicContact CD1-CG2 3.91Å; F400-T438 HydrophobicContact CE1-CG2 4.02Å; F400-T438 VanDerWaalsContact CE1-OG1 3.29Å; F400-T438 WeakPolarHBondContact CE1-OG1 3.21Å; F400-T438 WeakPolarHBondContact CZ-OG1 3.25Å |
| 439 | V | 97.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 135.2 | 170.9 | 178.7 | 0 | 0 | 0 | 0 | 107.6 | E366 L380 H381 L420 P421 L425 | E366-V439 HydrophobicContact CB-CG2 4.13Å; E366-V439 CarbonylContact O-C 3.14Å; E366-V439 WeakPolarHBondContact O-CA 3.05Å; L380-V439 CarbonylContact C-O 3.12Å; H381-V439 HydrophobicContact CB-CB 4.25Å; H381-V439 PolarHBondContact N-O 3.25Å; H381-V439 PolarHBondContact O-N 3.02Å; L420-V439 HydrophobicContact CD1-CB 4.39Å; L420-V439 HydrophobicContact CD1-CG2 3.82Å; L420-V439 HydrophobicContact CD2-CG2 4.49Å; L420-V439 HydrophobicContact CG-CG2 4.3Å; P421-V439 HydrophobicContact CG-CG1 4.21Å; L425-V439 HydrophobicContact CB-CG2 4.23Å; L425-V439 HydrophobicContact CD2-CG2 3.92Å |
| 440 | I | 96.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 137.1 | 168.3 | -165.3 | 162.1 | 0 | 0 | 0 | 110.2 | F365 E366 L367 S368 L378 Y379 L404 I411 L474 | F365-I440 HydrophobicContact CE2-CB 3.76Å; F365-I440 HydrophobicContact CE2-CG2 3.59Å; F365-I440 HydrophobicContact CZ-CB 4.01Å; F365-I440 HydrophobicContact CZ-CG2 3.51Å; E366-I440 PolarHBondContact O-N 3.5Å; L367-I440 HydrophobicContact CD2-CG2 3.6Å; S368-I440 PolarHBondContact N-O 2.93Å; S368-I440 VanDerWaalsContact O-O 3.14Å; L378-I440 HydrophobicContact CB-CD1 4.02Å; L378-I440 HydrophobicContact CB-CG1 4.06Å; L378-I440 HydrophobicContact CD1-CD1 3.86Å; L378-I440 HydrophobicContact CD1-CG1 4.35Å; Y379-I440 WeakPolarHBondContact O-CA 3.37Å; L404-I440 HydrophobicContact CD2-CD1 4.38Å; I411-I440 HydrophobicContact CD1-CD1 3.76Å; I411-I440 HydrophobicContact CG1-CD1 4.29Å; I411-I440 HydrophobicContact CG2-CD1 4.25Å; I440-L474 HydrophobicContact CD1-CD1 3.69Å; I440-L474 HydrophobicContact CG2-CD1 4.41Å; I440-L474 HydrophobicContact CG2-CD2 4.43Å |
| 441 | S | 95.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 170.9 | 175.9 | 72 | 0 | 0 | 0 | 0 | 112.8 | S368 L378 Y379 H381 Y443 | S368-S441 WeakPolarHBondContact O-CA 3.31Å; S368-S441 WeakPolarHBondContact O-CB 3.08Å; L378-S441 CarbonylContact C-O 3.34Å; L378-S441 WeakPolarHBondContact CA-O 3.22Å; Y379-S441 PolarHBondContact N-O 3.28Å; Y379-S441 PolarHBondContact O-N 2.91Å; H381-S441 PolarHBondContact NE2-OG 3.26Å; S441-Y443 PolarHBondContact O-N 2.87Å; S441-Y443 WeakPolarHBondContact OG-CD1 3.26Å; S441-Y443 WeakPolarHBondContact OG-CE1 3.39Å; S441-Y443 PolarHBondContact OG-N 3.3Å; S441-Y443 PolarHBondContact OG-O 3.48Å |
| 442 | D | 93.1 | Very high | 93.9 | Very high | 4 Ų | 4 | 27 Ų | 27 | 2% | 0.021 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -85.3 | 14.1 | 175.5 | 69.2 | 20.1 | 0 | 0 | 0 | 114.3 | H369 T371 D372 L378 S448 | H369-D442 WeakPolarHBondContact O-CB 3.42Å; H369-D442 PolarHBondContact O-N 3.45Å; T371-D442 PolarHBondContact N-OD2 3.49Å; T371-D442 PolarHBondContact OG1-OD2 2.87Å; D372-D442 HydrophobicContact CB-CB 3.58Å; D372-D442 WeakPolarHBondContact CB-OD2 3.36Å; D372-D442 PolarHBondContact N-OD2 3.2Å; L378-D442 HydrophobicContact CD2-CB 4.18Å; D442-S448 WeakPolarHBondContact OD1-CB 3.42Å; D442-S448 PolarHBondContact OD1-OG 2.03Å; D442-S448 PolarHBondContact OD2-OG 2.82Å; D442-S448 VanDerWaalsContact OD2-OG 3.09Å |
| 443 | Y | 92.2 | Very high | 93.9 | Very high | 4 Ų | 4 | 24.5 Ų | 24.5 | 2% | 0.016 | 12% | 0.115 | C | C | . | . | trans | -141.9 | 151.4 | -179 | 59.5 | -90.3 | 0 | 0 | 0 | 113 | W153 H369 Y379 H381 P421 S441 E446 F447 | W153-Y443 HydrophobicContact CE3-CD2 4.03Å; W153-Y443 AromaticContact CE3-CE2 3.66Å; W153-Y443 HydrophobicContact CE3-CE2 3.66Å; W153-Y443 HydrophobicContact CZ3-CD2 4.07Å; W153-Y443 AromaticContact CZ3-CE2 3.79Å; W153-Y443 HydrophobicContact CZ3-CE2 3.79Å; H369-Y443 HydrophobicContact CB-CD1 4.28Å; H369-Y443 HydrophobicContact CB-CE1 3.72Å; H369-Y443 AromaticContact CG-CE1 3.74Å; H369-Y443 AromaticContact ND1-CE1 3.32Å; H369-Y443 VanDerWaalsContact ND1-CE1 3.32Å; H369-Y443 WeakPolarHBondContact ND1-CE1 3.36Å; H369-Y443 AromaticContact ND1-CZ 3.93Å; Y379-Y443 WeakPolarHBondContact CB-O 3.3Å; H381-Y443 PolarHBondContact CE1-O 2.79Å; H381-Y443 PolarHBondContact NE2-O 2.94Å; P421-Y443 HydrophobicContact CB-CE2 3.77Å; P421-Y443 WeakPolarHBondContact CB-OH 3.48Å; P421-Y443 HydrophobicContact CG-CE2 4.34Å; S441-Y443 PolarHBondContact O-N 2.87Å; S441-Y443 WeakPolarHBondContact OG-CD1 3.26Å; S441-Y443 WeakPolarHBondContact OG-CE1 3.39Å; S441-Y443 PolarHBondContact OG-N 3.3Å; S441-Y443 PolarHBondContact OG-O 3.48Å; Y443-E446 WeakPolarHBondContact CB-O 3.47Å; Y443-F447 AromaticContact CD1-CD1 3.84Å; Y443-F447 HydrophobicContact CD1-CD1 3.84Å; Y443-F447 AromaticContact CD2-CD1 3.9Å; Y443-F447 HydrophobicContact CD2-CD1 3.9Å; Y443-F447 HydrophobicContact CD2-CE1 4.39Å; Y443-F447 AromaticContact CE1-CD1 3.52Å; Y443-F447 HydrophobicContact CE1-CD1 3.52Å; Y443-F447 AromaticContact CE1-CE1 3.86Å; Y443-F447 HydrophobicContact CE1-CE1 3.86Å; Y443-F447 AromaticContact CE2-CD1 3.6Å; Y443-F447 HydrophobicContact CE2-CD1 3.6Å; Y443-F447 AromaticContact CE2-CE1 3.64Å; Y443-F447 HydrophobicContact CE2-CE1 3.64Å; Y443-F447 HydrophobicContact CG-CD1 4.03Å; Y443-F447 AromaticContact CZ-CD1 3.41Å; Y443-F447 VanDerWaalsContact CZ-CD1 3.41Å; Y443-F447 AromaticContact CZ-CE1 3.34Å; Y443-F447 WeakPolarHBondContact OH-CE1 3.45Å | ||
| 444 | Q | 90.3 | Very high | 93.8 | Very high | 52 Ų | 52 | 20.9 Ų | 20.9 | 24% | 0.243 | 10% | 0.101 | C | C | . | . | S | Bend | trans | -94.4 | -43.3 | 175.1 | -166.5 | 172.1 | 59.1 | 0 | 0 | 113.8 | Y379 H381 K415 L418 | Y379-Q444 HydrophobicContact CD1-CB 3.61Å; Y379-Q444 HydrophobicContact CD1-CG 3.91Å; Y379-Q444 HydrophobicContact CD2-CB 4.37Å; Y379-Q444 HydrophobicContact CE1-CB 3.74Å; Y379-Q444 HydrophobicContact CE1-CG 4.26Å; Y379-Q444 HydrophobicContact CE2-CB 4.48Å; Y379-Q444 HydrophobicContact CG-CB 3.94Å; H381-Q444 PolarHBondContact CE1-O 3.27Å; K415-Q444 HydrophobicContact CD-CG 4.25Å; K415-Q444 VanDerWaalsContact CE-NE2 3.29Å; K415-Q444 VanDerWaalsContact CE-OE1 3.32Å; L418-Q444 HydrophobicContact CD1-CG 4.22Å |
| 445 | K | 90 | Very high | 93.7 | Very high | 101 Ų | 101 | 19.5 Ų | 19.5 | 44% | 0.439 | 9% | 0.091 | S | C | . | . | S | Bend | trans | -136.8 | -31.2 | -173.3 | -175.7 | 176.1 | -178.7 | 168.1 | 0 | 113.6 | M150 A151 L418 | M150-K445 WeakPolarHBondContact O-CE 3.41Å; M150-K445 PolarHBondContact O-NZ 3.46Å; A151-K445 HydrophobicContact CB-CG 3.92Å; L418-K445 HydrophobicContact CD1-CB 4.36Å; L418-K445 HydrophobicContact CD2-CD 4.49Å |
| 446 | E | 91.6 | Very high | 93.5 | Very high | 78 Ų | 78 | 19.7 Ų | 19.7 | 36% | 0.364 | 9% | 0.092 | S | C | . | . | S | Bend | trans | -130.4 | 134.1 | -179.2 | 173.4 | -178.8 | -175 | 0 | 0 | 108 | W153 K155 Y443 S448 | W153-E446 CarbonylContact O-C 3.57Å; W153-E446 WeakPolarHBondContact O-CA 3.22Å; K155-E446 HydrophobicContact CB-CG 4.44Å; K155-E446 WeakPolarHBondContact CB-OE1 3.45Å; K155-E446 VanDerWaalsContact CD-CD 3.41Å; K155-E446 HydrophobicContact CD-CG 4.28Å; K155-E446 WeakPolarHBondContact CD-OE1 3.36Å; K155-E446 WeakPolarHBondContact CD-OE2 3.28Å; K155-E446 WeakPolarHBondContact CE-OE2 3.27Å; K155-E446 HydrophobicContact CG-CG 4.01Å; K155-E446 IonicContact NZ-OE2 2.65Å; K155-E446 PolarHBondContact NZ-OE2 3.14Å; Y443-E446 WeakPolarHBondContact CB-O 3.47Å; E446-S448 PolarHBondContact O-N 3.37Å |
| 447 | F | 92.5 | Very high | 93.3 | Very high | 11 Ų | 11 | 19.7 Ų | 19.7 | 5% | 0.048 | 9% | 0.092 | C | C | . | . | trans | -52.9 | 135 | 179.4 | -62.1 | -21.9 | 0 | 0 | 0 | 111.3 | P132 W153 N154 H369 P422 Y443 S449 Y452 | P132-F447 HydrophobicContact CG-CE2 4.15Å; P132-F447 HydrophobicContact CG-CZ 4.45Å; W153-F447 HydrophobicContact CB-CD1 4.22Å; W153-F447 HydrophobicContact CB-CE1 3.66Å; W153-F447 HydrophobicContact CB-CE2 4.25Å; W153-F447 HydrophobicContact CB-CZ 3.68Å; W153-F447 HydrophobicContact CG-CE1 4.36Å; W153-F447 WeakPolarHBondContact O-CG 3.32Å; W153-F447 PolarHBondContact O-N 3.31Å; N154-F447 HydrophobicContact CB-CD2 3.82Å; N154-F447 HydrophobicContact CB-CE2 3.77Å; H369-F447 AromaticContact CE1-CD1 3.96Å; H369-F447 AromaticContact CE1-CE1 3.59Å; H369-F447 AromaticContact CE1-CE2 3.83Å; H369-F447 AromaticContact CE1-CZ 3.52Å; H369-F447 AromaticContact ND1-CD1 3.72Å; H369-F447 AromaticContact ND1-CE1 3.76Å; P422-F447 HydrophobicContact CG-CZ 4.3Å; Y443-F447 AromaticContact CD1-CD1 3.84Å; Y443-F447 HydrophobicContact CD1-CD1 3.84Å; Y443-F447 AromaticContact CD2-CD1 3.9Å; Y443-F447 HydrophobicContact CD2-CD1 3.9Å; Y443-F447 HydrophobicContact CD2-CE1 4.39Å; Y443-F447 AromaticContact CE1-CD1 3.52Å; Y443-F447 HydrophobicContact CE1-CD1 3.52Å; Y443-F447 AromaticContact CE1-CE1 3.86Å; Y443-F447 HydrophobicContact CE1-CE1 3.86Å; Y443-F447 AromaticContact CE2-CD1 3.6Å; Y443-F447 HydrophobicContact CE2-CD1 3.6Å; Y443-F447 AromaticContact CE2-CE1 3.64Å; Y443-F447 HydrophobicContact CE2-CE1 3.64Å; Y443-F447 HydrophobicContact CG-CD1 4.03Å; Y443-F447 AromaticContact CZ-CD1 3.41Å; Y443-F447 VanDerWaalsContact CZ-CD1 3.41Å; Y443-F447 AromaticContact CZ-CE1 3.34Å; Y443-F447 WeakPolarHBondContact OH-CE1 3.45Å; F447-S449 PolarHBondContact O-N 2.75Å; F447-Y452 AromaticContact CD2-CD1 3.83Å; F447-Y452 HydrophobicContact CD2-CD1 3.83Å; F447-Y452 HydrophobicContact CD2-CD2 4.08Å; F447-Y452 HydrophobicContact CD2-CE1 4.25Å; F447-Y452 HydrophobicContact CD2-CE2 4.49Å; F447-Y452 AromaticContact CD2-CG 3.71Å; F447-Y452 HydrophobicContact CD2-CG 3.71Å; F447-Y452 AromaticContact CE2-CD1 3.61Å; F447-Y452 HydrophobicContact CE2-CD1 3.61Å; F447-Y452 HydrophobicContact CE2-CD2 4.16Å; F447-Y452 AromaticContact CE2-CE1 3.58Å; F447-Y452 HydrophobicContact CE2-CE1 3.58Å; F447-Y452 HydrophobicContact CE2-CE2 4.14Å; F447-Y452 AromaticContact CE2-CG 3.89Å; F447-Y452 HydrophobicContact CE2-CG 3.89Å; F447-Y452 AromaticContact CE2-CZ 3.83Å; F447-Y452 HydrophobicContact CZ-CE1 4.47Å | ||
| 448 | S | 89.7 | Confident | 92.9 | Very high | 28 Ų | 28 | 20 Ų | 20 | 20% | 0.196 | 9% | 0.092 | C | C | . | . | S | Bend | trans | -67.8 | -22.2 | 173.4 | 68.2 | 0 | 0 | 0 | 0 | 112.3 | D442 E446 R461 | D442-S448 WeakPolarHBondContact OD1-CB 3.42Å; D442-S448 PolarHBondContact OD1-OG 2.03Å; D442-S448 PolarHBondContact OD2-OG 2.82Å; D442-S448 VanDerWaalsContact OD2-OG 3.09Å; E446-S448 PolarHBondContact O-N 3.37Å; S448-R461 PolarHBondContact O-NH1 2.96Å; S448-R461 PolarHBondContact O-NH2 3.46Å; S448-R461 PolarHBondContact OG-NH2 2.95Å |
| 449 | S | 89.4 | Confident | 92.5 | Very high | 8 Ų | 8 | 20.3 Ų | 20.3 | 6% | 0.056 | 10% | 0.095 | C | C | . | . | trans | -78 | 124.5 | -178.4 | -177.4 | 0 | 0 | 0 | 0 | 110.9 | T284 F447 F451 Y452 | T284-S449 PolarHBondContact OG1-OG 2.79Å; F447-S449 PolarHBondContact O-N 2.75Å; S449-F451 PolarHBondContact O-N 3.44Å; S449-F451 PolarHBondContact OG-N 3.15Å; S449-Y452 PolarHBondContact OG-N 3.35Å | ||
| 450 | R | 89.7 | Confident | 91.9 | Very high | 89 Ų | 89 | 23.9 Ų | 23.9 | 34% | 0.336 | 11% | 0.11 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -19.2 | 174.9 | -67.9 | 176.6 | 56.8 | -171.4 | -5.7 | 113.2 | V122 S124 Y125 | V122-R450 PolarHBondContact O-NH2 3.35Å; S124-R450 CarbonylContact C-O 3.21Å; S124-R450 WeakPolarHBondContact CA-O 3.32Å; S124-R450 WeakPolarHBondContact OG-CG 3.36Å; S124-R450 PolarHBondContact OG-NE 2.85Å; Y125-R450 PolarHBondContact N-O 2.65Å |
| 451 | F | 92.2 | Very high | 91.3 | Very high | 14 Ų | 14 | 26.1 Ų | 26.1 | 6% | 0.061 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -129.4 | 27.4 | -169.7 | -54.8 | -66.1 | 0 | 0 | 0 | 112.5 | S119 V122 P123 Y125 S449 N453 S454 L456 D457 | S119-F451 WeakPolarHBondContact OG-CE2 3.31Å; V122-F451 HydrophobicContact CB-CE1 4.33Å; V122-F451 HydrophobicContact CB-CZ 4.3Å; V122-F451 HydrophobicContact CG1-CE1 4.23Å; P123-F451 WeakPolarHBondContact O-CE1 3.29Å; Y125-F451 WeakPolarHBondContact O-CA 3.34Å; S449-F451 PolarHBondContact O-N 3.44Å; S449-F451 PolarHBondContact OG-N 3.15Å; F451-N453 PolarHBondContact O-N 3.36Å; F451-S454 VanDerWaalsContact O-CB 3.24Å; F451-S454 WeakPolarHBondContact O-CB 3.43Å; F451-S454 PolarHBondContact O-N 3.31Å; F451-L456 HydrophobicContact CB-CB 3.91Å; F451-L456 HydrophobicContact CD1-CB 3.59Å; F451-L456 HydrophobicContact CD1-CD1 3.78Å; F451-L456 HydrophobicContact CD1-CG 4.36Å; F451-L456 HydrophobicContact CD2-CB 4.48Å; F451-L456 HydrophobicContact CE1-CB 4.23Å; F451-L456 HydrophobicContact CE1-CD1 3.82Å; F451-L456 HydrophobicContact CG-CB 3.73Å; F451-D457 VanDerWaalsContact O-CB 3.32Å; F451-D457 WeakPolarHBondContact O-CB 3.21Å |
| 452 | Y | 94.1 | Very high | 90.9 | Very high | 2 Ų | 2 | 26.1 Ų | 26.1 | 1% | 0.008 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -46.5 | 129.2 | 179.2 | 178.1 | -107.6 | 0 | 0 | 0 | 111.5 | S126 D128 P132 R269 T284 H369 F447 S449 S454 | S126-Y452 WeakPolarHBondContact CB-O 3.34Å; S126-Y452 PolarHBondContact OG-O 3.08Å; D128-Y452 HydrophobicContact CB-CD1 4.34Å; D128-Y452 HydrophobicContact CB-CE1 4.28Å; P132-Y452 HydrophobicContact CB-CE1 4.39Å; P132-Y452 HydrophobicContact CG-CE1 3.83Å; R269-Y452 PolarHBondContact NH1-OH 3.31Å; T284-Y452 HydrophobicContact CG2-CD2 4.06Å; T284-Y452 HydrophobicContact CG2-CE2 4.36Å; H369-Y452 AromaticContact CE1-CD2 3.79Å; H369-Y452 AromaticContact CE1-CE2 3.18Å; H369-Y452 WeakPolarHBondContact CE1-CE2 3.34Å; H369-Y452 AromaticContact CE1-CZ 3.75Å; H369-Y452 AromaticContact NE2-CE2 3.3Å; H369-Y452 VanDerWaalsContact NE2-CE2 3.3Å; H369-Y452 WeakPolarHBondContact NE2-CE2 3.31Å; H369-Y452 AromaticContact NE2-CZ 3.89Å; F447-Y452 AromaticContact CD2-CD1 3.83Å; F447-Y452 HydrophobicContact CD2-CD1 3.83Å; F447-Y452 HydrophobicContact CD2-CD2 4.08Å; F447-Y452 HydrophobicContact CD2-CE1 4.25Å; F447-Y452 HydrophobicContact CD2-CE2 4.49Å; F447-Y452 AromaticContact CD2-CG 3.71Å; F447-Y452 HydrophobicContact CD2-CG 3.71Å; F447-Y452 AromaticContact CE2-CD1 3.61Å; F447-Y452 HydrophobicContact CE2-CD1 3.61Å; F447-Y452 HydrophobicContact CE2-CD2 4.16Å; F447-Y452 AromaticContact CE2-CE1 3.58Å; F447-Y452 HydrophobicContact CE2-CE1 3.58Å; F447-Y452 HydrophobicContact CE2-CE2 4.14Å; F447-Y452 AromaticContact CE2-CG 3.89Å; F447-Y452 HydrophobicContact CE2-CG 3.89Å; F447-Y452 AromaticContact CE2-CZ 3.83Å; F447-Y452 HydrophobicContact CZ-CE1 4.47Å; S449-Y452 PolarHBondContact OG-N 3.35Å; Y452-S454 PolarHBondContact O-N 3.08Å |
| 453 | N | 95.4 | Very high | 90.5 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.1 | 58.9 | 178.3 | -76 | -8.2 | 0 | 0 | 0 | 112.3 | E127 D128 S272 L273 F451 | E127-N453 WeakPolarHBondContact CB-O 3.33Å; E127-N453 PolarHBondContact N-O 3.44Å; D128-N453 HydrophobicContact CB-CB 3.9Å; D128-N453 PolarHBondContact OD2-ND2 3.26Å; S272-N453 WeakPolarHBondContact CB-OD1 3.4Å; L273-N453 HydrophobicContact CD1-CB 3.72Å; L273-N453 HydrophobicContact CG-CB 3.75Å; L273-N453 CarbonylContact O-C 3.56Å; L273-N453 WeakPolarHBondContact O-CA 3.44Å; F451-N453 PolarHBondContact O-N 3.36Å |
| 454 | S | 93.8 | Very high | 90.2 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.007 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -140.5 | 154.4 | 178.9 | -177.7 | 0 | 0 | 0 | 0 | 110.4 | F451 Y452 L456 D457 | F451-S454 VanDerWaalsContact O-CB 3.24Å; F451-S454 WeakPolarHBondContact O-CB 3.43Å; F451-S454 PolarHBondContact O-N 3.31Å; Y452-S454 PolarHBondContact O-N 3.08Å; S454-L456 PolarHBondContact O-N 3.13Å; S454-L456 PolarHBondContact OG-N 2.74Å; S454-L456 VanDerWaalsContact OG-N 3.14Å; S454-D457 WeakPolarHBondContact O-CB 3.44Å; S454-D457 PolarHBondContact O-N 3.09Å |
| 455 | F | 93.5 | Very high | 90.1 | Very high | 1 Ų | 1 | 34.8 Ų | 34.8 | 0% | 0.004 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -16.4 | 162.6 | 65.6 | -96.6 | 0 | 0 | 0 | 113.3 | A88 I111 F113 Y125 E127 L171 F276 Y279 | A88-F455 HydrophobicContact CB-CE2 3.91Å; A88-F455 HydrophobicContact CB-CZ 3.92Å; I111-F455 HydrophobicContact CG2-CZ 4.18Å; F113-F455 AromaticContact CD1-CD2 3.95Å; F113-F455 HydrophobicContact CD1-CD2 3.95Å; F113-F455 AromaticContact CD1-CE2 3.85Å; F113-F455 HydrophobicContact CD1-CE2 3.85Å; F113-F455 AromaticContact CE1-CD2 3.62Å; F113-F455 HydrophobicContact CE1-CD2 3.62Å; F113-F455 HydrophobicContact CE1-CE2 4.02Å; F113-F455 HydrophobicContact CG-CE2 4.41Å; F113-F455 HydrophobicContact CZ-CD2 4.09Å; Y125-F455 AromaticContact CE1-CE1 3.87Å; Y125-F455 HydrophobicContact CE1-CE1 3.87Å; Y125-F455 HydrophobicContact CE1-CZ 4.31Å; E127-F455 WeakPolarHBondContact OE1-CD1 3.43Å; E127-F455 WeakPolarHBondContact OE1-CE1 3.47Å; E127-F455 PolarHBondContact OE2-N 3.28Å; L171-F455 HydrophobicContact CD1-CD2 3.94Å; L171-F455 HydrophobicContact CD1-CE2 3.95Å; L171-F455 HydrophobicContact CD1-CG 4.31Å; L171-F455 HydrophobicContact CD1-CZ 4.34Å; L171-F455 HydrophobicContact CD2-CB 3.86Å; L171-F455 HydrophobicContact CD2-CD2 4.16Å; L171-F455 HydrophobicContact CD2-CG 4.02Å; F276-F455 HydrophobicContact CD2-CB 4.33Å; F276-F455 AromaticContact CD2-CD1 3.84Å; F276-F455 HydrophobicContact CD2-CD1 3.84Å; F276-F455 HydrophobicContact CD2-CG 4.3Å; F276-F455 AromaticContact CE2-CD1 3.76Å; F276-F455 HydrophobicContact CE2-CD1 3.76Å; F276-F455 AromaticContact CE2-CE1 3.99Å; F276-F455 HydrophobicContact CE2-CE1 3.99Å; F276-F455 HydrophobicContact CE2-CG 4.47Å; Y279-F455 HydrophobicContact CD1-CB 3.63Å; Y279-F455 HydrophobicContact CE1-CB 4.01Å; Y279-F455 VanDerWaalsContact CE1-O 3.28Å; Y279-F455 WeakPolarHBondContact CE1-O 3.22Å |
| 456 | L | 92.8 | Very high | 90.1 | Very high | 8 Ų | 8 | 32.7 Ų | 32.7 | 4% | 0.042 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -0 | 174.5 | -61.6 | 174.5 | 0 | 0 | 0 | 114.4 | F113 V122 Y125 F451 S454 L458 | F113-L456 HydrophobicContact CD2-CD2 3.79Å; F113-L456 HydrophobicContact CE2-CD2 3.99Å; F113-L456 HydrophobicContact CG-CD2 4.06Å; F113-L456 HydrophobicContact CZ-CD2 4.43Å; V122-L456 HydrophobicContact CG1-CD1 3.69Å; Y125-L456 HydrophobicContact CD1-CD1 4.18Å; F451-L456 HydrophobicContact CB-CB 3.91Å; F451-L456 HydrophobicContact CD1-CB 3.59Å; F451-L456 HydrophobicContact CD1-CD1 3.78Å; F451-L456 HydrophobicContact CD1-CG 4.36Å; F451-L456 HydrophobicContact CD2-CB 4.48Å; F451-L456 HydrophobicContact CE1-CB 4.23Å; F451-L456 HydrophobicContact CE1-CD1 3.82Å; F451-L456 HydrophobicContact CG-CB 3.73Å; S454-L456 PolarHBondContact O-N 3.13Å; S454-L456 PolarHBondContact OG-N 2.74Å; S454-L456 VanDerWaalsContact OG-N 3.14Å; L456-L458 PolarHBondContact O-N 3.28Å |
| 457 | D | 92.4 | Very high | 90.1 | Very high | 7 Ų | 7 | 29 Ų | 29 | 4% | 0.037 | 15% | 0.148 | C | C | . | . | trans | -76 | 54.7 | 178.3 | -161 | 14 | 0 | 0 | 0 | 112.4 | P281 T283 T284 F451 S454 | P281-D457 WeakPolarHBondContact CB-O 3.48Å; P281-D457 HydrophobicContact CG-CB 4.42Å; P281-D457 WeakPolarHBondContact CG-O 3.35Å; T283-D457 VanDerWaalsContact CB-O 3.27Å; T283-D457 WeakPolarHBondContact CB-O 3.32Å; T283-D457 PolarHBondContact N-O 3.4Å; T283-D457 VanDerWaalsContact N-O 3.13Å; T283-D457 PolarHBondContact N-OD2 2.85Å; T283-D457 VanDerWaalsContact N-OD2 3.11Å; T283-D457 PolarHBondContact OG1-O 3.18Å; T284-D457 WeakPolarHBondContact CB-OD2 3.43Å; T284-D457 PolarHBondContact N-OD2 3.19Å; T284-D457 PolarHBondContact OG1-OD1 3.4Å; T284-D457 PolarHBondContact OG1-OD2 3.47Å; F451-D457 VanDerWaalsContact O-CB 3.32Å; F451-D457 WeakPolarHBondContact O-CB 3.21Å; S454-D457 WeakPolarHBondContact O-CB 3.44Å; S454-D457 PolarHBondContact O-N 3.09Å | ||
| 458 | L | 91.3 | Very high | 90.1 | Very high | 11 Ų | 11 | 31.2 Ų | 31.2 | 6% | 0.058 | 16% | 0.157 | C | C | . | . | trans | -74 | 155.9 | -173.5 | -64.8 | 179.4 | 0 | 0 | 0 | 112.4 | F113 P281 T283 L456 F460 W513 | F113-L458 HydrophobicContact CE2-CD1 4.1Å; P281-L458 HydrophobicContact CB-CD2 4.3Å; P281-L458 HydrophobicContact CG-CD2 4.23Å; T283-L458 PolarHBondContact OG1-O 3.08Å; T283-L458 VanDerWaalsContact OG1-O 3.09Å; L456-L458 PolarHBondContact O-N 3.28Å; L458-F460 HydrophobicContact CB-CD2 3.73Å; L458-F460 HydrophobicContact CB-CE2 3.52Å; L458-F460 HydrophobicContact CB-CG 4.42Å; L458-F460 HydrophobicContact CB-CZ 4.03Å; L458-F460 HydrophobicContact CD1-CD2 4.44Å; L458-F460 HydrophobicContact CD1-CE2 3.45Å; L458-F460 VanDerWaalsContact CD1-CE2 3.45Å; L458-F460 HydrophobicContact CD1-CZ 3.67Å; L458-F460 HydrophobicContact CG-CE2 4.12Å; L458-F460 PolarHBondContact O-N 2.68Å; L458-W513 HydrophobicContact CD2-CE3 4.39Å; L458-W513 HydrophobicContact CD2-CH2 3.88Å; L458-W513 HydrophobicContact CD2-CZ3 3.45Å; L458-W513 VanDerWaalsContact CD2-CZ3 3.45Å | ||
| 459 | P | 88.6 | Confident | 90.3 | Very high | 7 Ų | 7 | 35.2 Ų | 35.2 | 5% | 0.045 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | 29 | -170.3 | 31.8 | -38.1 | 0 | 0 | 0 | 114.7 | T283 I462 Q463 W513 | T283-P459 WeakPolarHBondContact OG1-CA 3.37Å; T283-P459 VanDerWaalsContact OG1-N 3.13Å; P459-I462 HydrophobicContact CB-CD1 3.97Å; P459-I462 HydrophobicContact CB-CG1 4.1Å; P459-I462 VanDerWaalsContact O-CG1 3.31Å; P459-I462 WeakPolarHBondContact O-CG1 3.49Å; P459-Q463 VanDerWaalsContact O-CG 3.3Å; P459-Q463 WeakPolarHBondContact O-CG 3.48Å; P459-Q463 PolarHBondContact O-NE2 3.06Å; P459-W513 HydrophobicContact CG-CB 4.49Å; P459-W513 HydrophobicContact CG-CE3 4.33Å |
| 460 | F | 85.5 | Confident | 90.5 | Very high | 74 Ų | 74 | 35.1 Ų | 35.1 | 33% | 0.325 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -37 | -179.9 | -57.5 | -49.6 | 0 | 0 | 0 | 112.6 | L458 Q463 | L458-F460 HydrophobicContact CB-CD2 3.73Å; L458-F460 HydrophobicContact CB-CE2 3.52Å; L458-F460 HydrophobicContact CB-CG 4.42Å; L458-F460 HydrophobicContact CB-CZ 4.03Å; L458-F460 HydrophobicContact CD1-CD2 4.44Å; L458-F460 HydrophobicContact CD1-CE2 3.45Å; L458-F460 VanDerWaalsContact CD1-CE2 3.45Å; L458-F460 HydrophobicContact CD1-CZ 3.67Å; L458-F460 HydrophobicContact CG-CE2 4.12Å; L458-F460 PolarHBondContact O-N 2.68Å; F460-Q463 WeakPolarHBondContact O-CB 2.98Å; F460-Q463 PolarHBondContact O-N 2.66Å |
| 461 | R | 83.6 | Confident | 90.7 | Very high | 47 Ų | 47 | 30.9 Ų | 30.9 | 18% | 0.177 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -69.2 | -37.6 | -174 | -69.8 | -105.2 | -73.9 | -135 | -10.7 | 112.7 | T371 D372 S448 Q463 N464 | T371-R461 PolarHBondContact O-NE 3.29Å; T371-R461 VanDerWaalsContact O-NE 3.16Å; T371-R461 PolarHBondContact OG1-NH2 3.07Å; D372-R461 IonicContact OD1-NH1 3.87Å; S448-R461 PolarHBondContact O-NH1 2.96Å; S448-R461 PolarHBondContact O-NH2 3.46Å; S448-R461 PolarHBondContact OG-NH2 2.95Å; R461-Q463 PolarHBondContact O-N 2.9Å; R461-N464 WeakPolarHBondContact O-CB 3.13Å; R461-N464 PolarHBondContact O-N 2.77Å |
| 462 | I | 87 | Confident | 90.9 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | G | 310 helix | trans | -73.2 | -15.4 | 176.5 | 61.5 | 169.1 | 0 | 0 | 0 | 113.2 | T283 V286 I290 T371 P459 N464 F467 I507 F510 K511 | T283-I462 HydrophobicContact CG2-CG1 4.24Å; T283-I462 HydrophobicContact CG2-CG2 3.81Å; V286-I462 HydrophobicContact CG1-CD1 4.22Å; I290-I462 HydrophobicContact CD1-CD1 4.43Å; I290-I462 HydrophobicContact CD1-CG2 4.49Å; T371-I462 HydrophobicContact CG2-CG2 4.42Å; P459-I462 HydrophobicContact CB-CD1 3.97Å; P459-I462 HydrophobicContact CB-CG1 4.1Å; P459-I462 VanDerWaalsContact O-CG1 3.31Å; P459-I462 WeakPolarHBondContact O-CG1 3.49Å; I462-N464 VanDerWaalsContact C-N 3.28Å; I462-F467 HydrophobicContact CB-CD1 3.97Å; I462-F467 HydrophobicContact CB-CE1 4.04Å; I462-F467 HydrophobicContact CG2-CD1 4.15Å; I462-F467 HydrophobicContact CG2-CE1 3.94Å; I462-F467 HydrophobicContact CG2-CZ 4.19Å; I462-I507 VanDerWaalsContact O-CG2 3.3Å; I462-I507 WeakPolarHBondContact O-CG2 3.44Å; I462-F510 HydrophobicContact CD1-CB 4.09Å; I462-K511 HydrophobicContact CD1-CB 4.48Å |
| 463 | Q | 85.3 | Confident | 90.9 | Very high | 95 Ų | 95 | 35.6 Ų | 35.6 | 44% | 0.444 | 18% | 0.177 | S | C | . | . | G | 310 helix | trans | -77.3 | -16 | 174.5 | -67 | 171.3 | 45.4 | 0 | 0 | 112.5 | P459 F460 R461 P465 K511 | P459-Q463 VanDerWaalsContact O-CG 3.3Å; P459-Q463 WeakPolarHBondContact O-CG 3.48Å; P459-Q463 PolarHBondContact O-NE2 3.06Å; F460-Q463 WeakPolarHBondContact O-CB 2.98Å; F460-Q463 PolarHBondContact O-N 2.66Å; R461-Q463 PolarHBondContact O-N 2.9Å; Q463-P465 WeakPolarHBondContact O-CD 3.29Å; Q463-K511 HydrophobicContact CG-CB 3.85Å; Q463-K511 HydrophobicContact CG-CD 4.17Å |
| 464 | N | 86.3 | Confident | 90.9 | Very high | 48 Ų | 48 | 35.6 Ų | 35.6 | 26% | 0.257 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -67.5 | 126.2 | 179 | -171.6 | -31.4 | 0 | 0 | 0 | 109.8 | S373 R461 I462 V466 F467 | S373-N464 VanDerWaalsContact CB-CB 3.48Å; S373-N464 WeakPolarHBondContact CB-ND2 3.09Å; S373-N464 WeakPolarHBondContact OG-CB 3.29Å; S373-N464 PolarHBondContact OG-ND2 3.49Å; R461-N464 WeakPolarHBondContact O-CB 3.13Å; R461-N464 PolarHBondContact O-N 2.77Å; I462-N464 VanDerWaalsContact C-N 3.28Å; N464-V466 PolarHBondContact O-N 2.81Å; N464-V466 VanDerWaalsContact O-N 3.08Å; N464-V466 WeakPolarHBondContact OD1-CB 3.35Å; N464-V466 WeakPolarHBondContact OD1-CG2 3.33Å; N464-V466 PolarHBondContact OD1-N 3.06Å; N464-F467 WeakPolarHBondContact O-CB 3.41Å; N464-F467 PolarHBondContact O-N 3.07Å |
| 465 | P | 87.6 | Confident | 91.1 | Very high | 100 Ų | 100 | 35.5 Ų | 35.5 | 65% | 0.649 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -52.4 | -30.6 | 176.2 | -28 | 35.4 | 0 | 0 | 0 | 114.6 | Q463 F467 K468 E469 | Q463-P465 WeakPolarHBondContact O-CD 3.29Å; P465-F467 VanDerWaalsContact C-N 3.26Å; P465-F467 PolarHBondContact O-N 3.05Å; P465-K468 WeakPolarHBondContact O-CB 3.07Å; P465-K468 PolarHBondContact O-N 2.89Å; P465-E469 PolarHBondContact O-N 2.91Å |
| 466 | V | 89.7 | Confident | 91.3 | Very high | 57 Ų | 57 | 37.7 Ų | 37.7 | 35% | 0.345 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -61.9 | -34.7 | 176.9 | 179.4 | 0 | 0 | 0 | 0 | 111.6 | S373 N464 K468 E469 L470 | S373-V466 WeakPolarHBondContact O-CB 3.34Å; S373-V466 WeakPolarHBondContact O-CG1 3.14Å; N464-V466 PolarHBondContact O-N 2.81Å; N464-V466 VanDerWaalsContact O-N 3.08Å; N464-V466 WeakPolarHBondContact OD1-CB 3.35Å; N464-V466 WeakPolarHBondContact OD1-CG2 3.33Å; N464-V466 PolarHBondContact OD1-N 3.06Å; V466-K468 VanDerWaalsContact C-N 3.32Å; V466-K468 PolarHBondContact O-N 3.31Å; V466-E469 PolarHBondContact O-N 2.86Å; V466-L470 WeakPolarHBondContact O-CB 3.38Å; V466-L470 PolarHBondContact O-N 3.22Å |
| 467 | F | 92.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.1 | -40.2 | 176.7 | 171.3 | -106.6 | 0 | 0 | 0 | 111.6 | I290 I370 I462 N464 P465 E469 L470 A471 I507 | I290-F467 HydrophobicContact CB-CZ 4.28Å; I290-F467 HydrophobicContact CD1-CE1 3.89Å; I290-F467 HydrophobicContact CD1-CZ 4.18Å; I290-F467 HydrophobicContact CG2-CE1 4.26Å; I290-F467 HydrophobicContact CG2-CZ 4.3Å; I370-F467 HydrophobicContact CG2-CE2 4.22Å; I370-F467 WeakPolarHBondContact O-CE2 3.36Å; I462-F467 HydrophobicContact CB-CD1 3.97Å; I462-F467 HydrophobicContact CB-CE1 4.04Å; I462-F467 HydrophobicContact CG2-CD1 4.15Å; I462-F467 HydrophobicContact CG2-CE1 3.94Å; I462-F467 HydrophobicContact CG2-CZ 4.19Å; N464-F467 WeakPolarHBondContact O-CB 3.41Å; N464-F467 PolarHBondContact O-N 3.07Å; P465-F467 VanDerWaalsContact C-N 3.26Å; P465-F467 PolarHBondContact O-N 3.05Å; F467-E469 PolarHBondContact O-N 2.96Å; F467-L470 PolarHBondContact O-N 3.49Å; F467-A471 HydrophobicContact CE2-CB 4.44Å; F467-A471 HydrophobicContact CZ-CB 4.28Å; F467-A471 VanDerWaalsContact O-CB 3.31Å; F467-A471 WeakPolarHBondContact O-CB 3.35Å; F467-A471 PolarHBondContact O-N 3.18Å; F467-I507 HydrophobicContact CD1-CD1 3.69Å; F467-I507 HydrophobicContact CD1-CG1 4.08Å; F467-I507 HydrophobicContact CE1-CD1 3.81Å; F467-I507 HydrophobicContact CE1-CG1 3.82Å |
| 468 | K | 93 | Very high | 91.7 | Very high | 57 Ų | 57 | 37 Ų | 37 | 25% | 0.248 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58.7 | -50.2 | 176.5 | -178.6 | -165.7 | 162.9 | -165.5 | 0 | 110.7 | P465 V466 L470 A471 V472 E500 V503 T504 I507 | P465-K468 WeakPolarHBondContact O-CB 3.07Å; P465-K468 PolarHBondContact O-N 2.89Å; V466-K468 VanDerWaalsContact C-N 3.32Å; V466-K468 PolarHBondContact O-N 3.31Å; K468-L470 VanDerWaalsContact C-N 3.3Å; K468-L470 PolarHBondContact O-N 2.63Å; K468-A471 PolarHBondContact O-N 3.47Å; K468-V472 VanDerWaalsContact O-CG2 3.28Å; K468-V472 WeakPolarHBondContact O-CG2 3.38Å; K468-V472 PolarHBondContact O-N 3.46Å; K468-E500 WeakPolarHBondContact CE-OE2 3.4Å; K468-E500 IonicContact NZ-OE2 3.26Å; K468-E500 PolarHBondContact NZ-OE2 3.25Å; K468-V503 HydrophobicContact CG-CG1 4.07Å; K468-T504 WeakPolarHBondContact CE-OG1 3.46Å; K468-I507 HydrophobicContact CB-CD1 3.91Å; K468-I507 HydrophobicContact CG-CD1 4.32Å |
| 469 | E | 92.2 | Very high | 92 | Very high | 113 Ų | 113 | 36.5 Ų | 36.5 | 53% | 0.528 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -61 | -41.6 | 179.6 | -66.7 | -171.6 | -169.9 | 0 | 0 | 112 | P465 V466 F467 V472 K473 | P465-E469 PolarHBondContact O-N 2.91Å; V466-E469 PolarHBondContact O-N 2.86Å; F467-E469 PolarHBondContact O-N 2.96Å; E469-V472 PolarHBondContact O-N 3.49Å; E469-K473 WeakPolarHBondContact O-CB 3.4Å; E469-K473 VanDerWaalsContact O-CG 3.31Å; E469-K473 WeakPolarHBondContact O-CG 3.47Å; E469-K473 PolarHBondContact O-N 3.41Å; E469-K473 IonicContact OE2-NZ 2.85Å |
| 470 | L | 93.4 | Very high | 92.4 | Very high | 6 Ų | 6 | 37.3 Ų | 37.3 | 3% | 0.031 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62 | -48.2 | 177.3 | -175.9 | 65.6 | 0 | 0 | 0 | 111.5 | I370 L378 F408 V466 F467 K468 V472 K473 L474 | I370-L470 HydrophobicContact CG2-CD2 4.09Å; L378-L470 HydrophobicContact CD1-CD1 3.83Å; L378-L470 HydrophobicContact CD1-CG 4.48Å; L378-L470 HydrophobicContact CD2-CD1 4.26Å; L378-L470 HydrophobicContact CD2-CD2 4.15Å; L378-L470 HydrophobicContact CG-CD1 3.87Å; F408-L470 HydrophobicContact CE1-CD1 4.02Å; F408-L470 HydrophobicContact CZ-CD1 3.84Å; V466-L470 WeakPolarHBondContact O-CB 3.38Å; V466-L470 PolarHBondContact O-N 3.22Å; F467-L470 PolarHBondContact O-N 3.49Å; K468-L470 VanDerWaalsContact C-N 3.3Å; K468-L470 PolarHBondContact O-N 2.63Å; L470-V472 VanDerWaalsContact C-N 3.34Å; L470-V472 PolarHBondContact O-N 3.46Å; L470-K473 PolarHBondContact O-N 2.97Å; L470-L474 VanDerWaalsContact O-CB 3.27Å; L470-L474 WeakPolarHBondContact O-CB 3.29Å; L470-L474 PolarHBondContact O-N 2.6Å |
| 471 | A | 94.9 | Very high | 93 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.1 | -42.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | V291 F467 K468 G475 V503 | V291-A471 HydrophobicContact CG2-CB 3.78Å; F467-A471 HydrophobicContact CE2-CB 4.44Å; F467-A471 HydrophobicContact CZ-CB 4.28Å; F467-A471 VanDerWaalsContact O-CB 3.31Å; F467-A471 WeakPolarHBondContact O-CB 3.35Å; F467-A471 PolarHBondContact O-N 3.18Å; K468-A471 PolarHBondContact O-N 3.47Å; A471-G475 PolarHBondContact O-N 2.04Å; A471-V503 HydrophobicContact CB-CG1 4.08Å |
| 472 | V | 95.7 | Very high | 93.6 | Very high | 13 Ų | 13 | 31.6 Ų | 31.6 | 8% | 0.079 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.7 | -48.4 | 177.5 | 172.9 | 0 | 0 | 0 | 0 | 111.2 | K468 E469 L470 L474 G475 N476 I498 E500 V503 | K468-V472 VanDerWaalsContact O-CG2 3.28Å; K468-V472 WeakPolarHBondContact O-CG2 3.38Å; K468-V472 PolarHBondContact O-N 3.46Å; E469-V472 PolarHBondContact O-N 3.49Å; L470-V472 VanDerWaalsContact C-N 3.34Å; L470-V472 PolarHBondContact O-N 3.46Å; V472-L474 PolarHBondContact O-N 2.99Å; V472-G475 PolarHBondContact O-N 2.91Å; V472-N476 WeakPolarHBondContact O-CB 3.28Å; V472-N476 PolarHBondContact O-N 2.84Å; V472-N476 PolarHBondContact O-ND2 3.2Å; V472-I498 HydrophobicContact CG1-CB 4.43Å; V472-I498 HydrophobicContact CG1-CG2 4.46Å; V472-I498 HydrophobicContact CG2-CG2 4.25Å; V472-E500 HydrophobicContact CG1-CG 4.13Å; V472-E500 HydrophobicContact CG2-CG 3.96Å; V472-V503 HydrophobicContact CG2-CB 4.25Å; V472-V503 HydrophobicContact CG2-CG1 4.35Å; V472-V503 HydrophobicContact CG2-CG2 3.93Å |
| 473 | K | 94.8 | Very high | 94.1 | Very high | 102 Ų | 102 | 31.6 Ų | 31.6 | 44% | 0.443 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -61.3 | -45.5 | 178.7 | -73.7 | 170.4 | -176.4 | 162.5 | 0 | 111.6 | F408 E469 L470 N476 A477 | F408-K473 HydrophobicContact CD1-CB 4.01Å; F408-K473 HydrophobicContact CE1-CB 3.73Å; F408-K473 HydrophobicContact CE2-CB 4.39Å; F408-K473 HydrophobicContact CE2-CD 4.22Å; F408-K473 HydrophobicContact CG-CB 4.48Å; F408-K473 HydrophobicContact CZ-CB 3.95Å; F408-K473 HydrophobicContact CZ-CD 4.19Å; E469-K473 WeakPolarHBondContact O-CB 3.4Å; E469-K473 VanDerWaalsContact O-CG 3.31Å; E469-K473 WeakPolarHBondContact O-CG 3.47Å; E469-K473 PolarHBondContact O-N 3.41Å; E469-K473 IonicContact OE2-NZ 2.85Å; L470-K473 PolarHBondContact O-N 2.97Å; K473-N476 PolarHBondContact O-N 2.89Å; K473-A477 WeakPolarHBondContact O-CB 3.25Å; K473-A477 PolarHBondContact O-N 2.94Å |
| 474 | L | 95.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65.7 | -42.9 | 178.1 | 178.4 | 56.2 | 0 | 0 | 0 | 112 | V291 L367 I370 L378 F408 I440 L470 V472 N476 A477 T478 | V291-L474 HydrophobicContact CG1-CD2 4.16Å; V291-L474 HydrophobicContact CG1-CG 4.13Å; L367-L474 HydrophobicContact CD2-CD2 4.31Å; I370-L474 HydrophobicContact CD1-CD2 3.45Å; I370-L474 VanDerWaalsContact CD1-CD2 3.45Å; I370-L474 HydrophobicContact CG1-CD2 4.06Å; I370-L474 HydrophobicContact CG2-CD2 4.16Å; L378-L474 HydrophobicContact CD1-CB 4.26Å; L378-L474 HydrophobicContact CD1-CD1 4.06Å; L378-L474 HydrophobicContact CD1-CD2 3.89Å; L378-L474 HydrophobicContact CD1-CG 4.3Å; F408-L474 HydrophobicContact CE1-CB 4.37Å; I440-L474 HydrophobicContact CD1-CD1 3.69Å; I440-L474 HydrophobicContact CG2-CD1 4.41Å; I440-L474 HydrophobicContact CG2-CD2 4.43Å; L470-L474 VanDerWaalsContact O-CB 3.27Å; L470-L474 WeakPolarHBondContact O-CB 3.29Å; L470-L474 PolarHBondContact O-N 2.6Å; V472-L474 PolarHBondContact O-N 2.99Å; L474-N476 PolarHBondContact O-N 2.95Å; L474-A477 PolarHBondContact O-N 3.46Å; L474-T478 WeakPolarHBondContact O-CB 3.34Å; L474-T478 PolarHBondContact O-N 3.45Å; L474-T478 PolarHBondContact O-OG1 3.1Å |
| 475 | G | 97.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.7 | -43.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A471 V472 A477 T478 L479 I498 | A471-G475 PolarHBondContact O-N 2.04Å; V472-G475 PolarHBondContact O-N 2.91Å; G475-A477 PolarHBondContact O-N 3.17Å; G475-T478 WeakPolarHBondContact O-CB 3.32Å; G475-T478 PolarHBondContact O-N 2.96Å; G475-L479 WeakPolarHBondContact O-CG 3.33Å; G475-L479 PolarHBondContact O-N 3.4Å; G475-I498 VanDerWaalsContact C-CG1 3.47Å |
| 476 | N | 97.2 | Very high | 95.6 | Very high | 47 Ų | 47 | 21.8 Ų | 21.8 | 25% | 0.251 | 11% | 0.106 | S | C | . | . | H | α-helix | trans | -61.3 | -43.2 | 174.6 | -76 | -28.3 | 0 | 0 | 0 | 112.3 | V472 K473 L474 T478 L479 N480 S497 I498 | V472-N476 WeakPolarHBondContact O-CB 3.28Å; V472-N476 PolarHBondContact O-N 2.84Å; V472-N476 PolarHBondContact O-ND2 3.2Å; K473-N476 PolarHBondContact O-N 2.89Å; L474-N476 PolarHBondContact O-N 2.95Å; N476-T478 VanDerWaalsContact C-N 3.34Å; N476-L479 PolarHBondContact O-N 3.03Å; N476-N480 PolarHBondContact O-N 2.85Å; N476-S497 WeakPolarHBondContact OD1-CA 2.95Å; N476-I498 WeakPolarHBondContact OD1-CG1 3.22Å; N476-I498 PolarHBondContact OD1-N 3.4Å |
| 477 | A | 96.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -64.1 | -40.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | L404 T407 F408 K473 L474 G475 N480 V481 | L404-A477 HydrophobicContact CD1-CB 3.91Å; T407-A477 HydrophobicContact CG2-CB 3.92Å; F408-A477 HydrophobicContact CB-CB 3.9Å; K473-A477 WeakPolarHBondContact O-CB 3.25Å; K473-A477 PolarHBondContact O-N 2.94Å; L474-A477 PolarHBondContact O-N 3.46Å; G475-A477 PolarHBondContact O-N 3.17Å; A477-N480 PolarHBondContact O-N 3.28Å; A477-V481 WeakPolarHBondContact O-CG2 3.33Å; A477-V481 PolarHBondContact O-N 2.98Å |
| 478 | T | 97.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.6 | -47.3 | 176.3 | -56.9 | 0 | 0 | 0 | 0 | 111 | L266 V295 F365 L474 G475 N476 V481 M482 | L266-T478 HydrophobicContact CD1-CG2 3.81Å; L266-T478 HydrophobicContact CD2-CG2 4.01Å; V295-T478 HydrophobicContact CG1-CG2 4.44Å; V295-T478 HydrophobicContact CG2-CG2 4.16Å; F365-T478 HydrophobicContact CD1-CG2 4.14Å; F365-T478 HydrophobicContact CE1-CG2 3.94Å; L474-T478 WeakPolarHBondContact O-CB 3.34Å; L474-T478 PolarHBondContact O-N 3.45Å; L474-T478 PolarHBondContact O-OG1 3.1Å; G475-T478 WeakPolarHBondContact O-CB 3.32Å; G475-T478 PolarHBondContact O-N 2.96Å; N476-T478 VanDerWaalsContact C-N 3.34Å; T478-V481 PolarHBondContact O-N 3.29Å; T478-M482 HydrophobicContact CG2-CG 4.47Å; T478-M482 HydrophobicContact CG2-SD 3.74Å; T478-M482 VanDerWaalsContact O-CG 3.26Å; T478-M482 WeakPolarHBondContact O-CG 3.43Å; T478-M482 PolarHBondContact O-N 3.31Å |
| 479 | L | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60 | -47.7 | 176 | -71.9 | 166.7 | 0 | 0 | 0 | 111.5 | V295 A298 L299 G475 N476 V481 M482 F483 V495 P496 I498 | V295-L479 HydrophobicContact CG1-CD2 3.9Å; V295-L479 HydrophobicContact CG1-CG 4.36Å; A298-L479 HydrophobicContact CB-CD1 3.45Å; A298-L479 VanDerWaalsContact CB-CD1 3.45Å; A298-L479 HydrophobicContact CB-CD2 3.97Å; A298-L479 HydrophobicContact CB-CG 4.36Å; L299-L479 HydrophobicContact CD2-CD2 3.85Å; L299-L479 HydrophobicContact CG-CD2 4.06Å; G475-L479 WeakPolarHBondContact O-CG 3.33Å; G475-L479 PolarHBondContact O-N 3.4Å; N476-L479 PolarHBondContact O-N 3.03Å; L479-V481 VanDerWaalsContact C-N 3.29Å; L479-V481 PolarHBondContact O-N 3.26Å; L479-M482 PolarHBondContact O-N 3.16Å; L479-M482 VanDerWaalsContact O-N 3.13Å; L479-F483 HydrophobicContact CD2-CE2 4.16Å; L479-F483 VanDerWaalsContact O-CD2 3.32Å; L479-F483 WeakPolarHBondContact O-CD2 3.29Å; L479-F483 PolarHBondContact O-N 3.17Å; L479-V495 HydrophobicContact CB-CG1 4.01Å; L479-P496 VanDerWaalsContact CD1-O 3.31Å; L479-P496 WeakPolarHBondContact CD1-O 3.45Å; L479-P496 HydrophobicContact CD2-CG 4.48Å; L479-I498 HydrophobicContact CD1-CD1 3.59Å; L479-I498 HydrophobicContact CD1-CG1 3.92Å; L479-I498 HydrophobicContact CG-CD1 4.47Å |
| 480 | N | 96.6 | Very high | 95.8 | Very high | 24 Ų | 24 | 21.1 Ų | 21.1 | 13% | 0.128 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -57.6 | -43.2 | 179 | -176.5 | 48.6 | 0 | 0 | 0 | 112.1 | T407 N476 A477 N484 | T407-N480 PolarHBondContact OG1-ND2 2.83Å; N476-N480 PolarHBondContact O-N 2.85Å; A477-N480 PolarHBondContact O-N 3.28Å; N480-N484 WeakPolarHBondContact O-CB 3.42Å; N480-N484 PolarHBondContact O-N 2.93Å; N480-N484 PolarHBondContact O-ND2 3.01Å; N480-N484 PolarHBondContact OD1-ND2 3.47Å; N480-N484 VanDerWaalsContact OD1-ND2 3.09Å |
| 481 | V | 97.1 | Very high | 95.7 | Very high | 2 Ų | 2 | 25.5 Ų | 25.5 | 1% | 0.012 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63 | -47.3 | 175.5 | 172.1 | 0 | 0 | 0 | 0 | 111.4 | F264 F400 L403 L404 A477 T478 L479 F483 N484 W485 | F264-V481 HydrophobicContact CE2-CG1 4.17Å; F264-V481 HydrophobicContact CZ-CG1 4.25Å; F400-V481 HydrophobicContact CD2-CG1 3.42Å; F400-V481 VanDerWaalsContact CD2-CG1 3.42Å; F400-V481 HydrophobicContact CE2-CB 4.45Å; F400-V481 HydrophobicContact CE2-CG1 3.47Å; F400-V481 VanDerWaalsContact CE2-CG1 3.47Å; F400-V481 HydrophobicContact CG-CG1 4.42Å; F400-V481 HydrophobicContact CZ-CG1 4.47Å; L403-V481 HydrophobicContact CB-CG2 3.91Å; L404-V481 HydrophobicContact CB-CG2 4.19Å; L404-V481 HydrophobicContact CD1-CG2 4.19Å; A477-V481 WeakPolarHBondContact O-CG2 3.33Å; A477-V481 PolarHBondContact O-N 2.98Å; T478-V481 PolarHBondContact O-N 3.29Å; L479-V481 VanDerWaalsContact C-N 3.29Å; L479-V481 PolarHBondContact O-N 3.26Å; V481-F483 PolarHBondContact O-N 3.15Å; V481-N484 PolarHBondContact O-N 3.23Å; V481-W485 VanDerWaalsContact O-CB 3.26Å; V481-W485 WeakPolarHBondContact O-CB 3.34Å; V481-W485 PolarHBondContact O-N 3.27Å |
| 482 | M | 97.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.3 | -43.4 | -178.7 | -71.3 | 172.7 | 73.6 | 0 | 0 | 112.4 | F264 L266 V295 L299 L317 P319 T478 L479 W485 L486 | F264-M482 HydrophobicContact CD1-CE 4.5Å; F264-M482 HydrophobicContact CD1-CG 3.95Å; F264-M482 HydrophobicContact CE1-CG 3.66Å; F264-M482 HydrophobicContact CE1-SD 4.4Å; F264-M482 HydrophobicContact CZ-CG 4.15Å; L266-M482 HydrophobicContact CB-CE 4.36Å; L266-M482 HydrophobicContact CB-SD 4.45Å; L266-M482 HydrophobicContact CD2-CE 4.36Å; L266-M482 HydrophobicContact CD2-SD 3.94Å; V295-M482 HydrophobicContact CG1-SD 4.08Å; L299-M482 HydrophobicContact CD1-CE 3.79Å; L299-M482 HydrophobicContact CD2-CE 4.36Å; L317-M482 HydrophobicContact CB-CE 4.11Å; L317-M482 HydrophobicContact CD1-CB 4.43Å; L317-M482 HydrophobicContact CD1-CE 3.81Å; L317-M482 HydrophobicContact CD2-CB 4Å; L317-M482 HydrophobicContact CD2-CE 3.83Å; L317-M482 HydrophobicContact CD2-CG 4.37Å; L317-M482 HydrophobicContact CG-CE 4.11Å; P319-M482 HydrophobicContact CG-CE 4.38Å; T478-M482 HydrophobicContact CG2-CG 4.47Å; T478-M482 HydrophobicContact CG2-SD 3.74Å; T478-M482 VanDerWaalsContact O-CG 3.26Å; T478-M482 WeakPolarHBondContact O-CG 3.43Å; T478-M482 PolarHBondContact O-N 3.31Å; L479-M482 PolarHBondContact O-N 3.16Å; L479-M482 VanDerWaalsContact O-N 3.13Å; M482-W485 PolarHBondContact O-N 3.45Å; M482-L486 WeakPolarHBondContact O-CB 3.48Å; M482-L486 WeakPolarHBondContact O-CG 3.33Å; M482-L486 PolarHBondContact O-N 2.87Å |
| 483 | F | 97.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -70.1 | -40.3 | 179 | -86.2 | -92.3 | 0 | 0 | 0 | 112.7 | L299 L305 I306 L309 L479 V481 W485 L486 N487 V492 V495 P496 | L299-F483 HydrophobicContact CD2-CE2 3.91Å; L299-F483 HydrophobicContact CD2-CZ 4.43Å; L305-F483 HydrophobicContact CB-CE1 4.48Å; L305-F483 HydrophobicContact CD2-CD1 4.02Å; L305-F483 HydrophobicContact CD2-CE1 3.63Å; L305-F483 HydrophobicContact CG-CD1 4.38Å; L305-F483 HydrophobicContact CG-CE1 3.91Å; I306-F483 HydrophobicContact CD1-CZ 4.12Å; I306-F483 HydrophobicContact CG1-CE1 3.87Å; I306-F483 HydrophobicContact CG1-CZ 3.77Å; L309-F483 HydrophobicContact CD1-CD1 3.88Å; L309-F483 HydrophobicContact CD1-CE1 4.47Å; L479-F483 HydrophobicContact CD2-CE2 4.16Å; L479-F483 VanDerWaalsContact O-CD2 3.32Å; L479-F483 WeakPolarHBondContact O-CD2 3.29Å; L479-F483 PolarHBondContact O-N 3.17Å; V481-F483 PolarHBondContact O-N 3.15Å; F483-W485 VanDerWaalsContact C-N 3.33Å; F483-L486 WeakPolarHBondContact O-CB 3.06Å; F483-L486 PolarHBondContact O-N 3.12Å; F483-N487 PolarHBondContact O-N 2.01Å; F483-V492 HydrophobicContact CB-CB 4.33Å; F483-V492 HydrophobicContact CB-CG2 4.24Å; F483-V492 HydrophobicContact CD1-CG1 4.41Å; F483-V495 HydrophobicContact CB-CG1 4.33Å; F483-V495 HydrophobicContact CB-CG2 3.77Å; F483-V495 HydrophobicContact CD2-CG1 3.89Å; F483-V495 HydrophobicContact CG-CG1 4.18Å; F483-V495 HydrophobicContact CG-CG2 4.15Å; F483-P496 VanDerWaalsContact CE2-CD 3.44Å; F483-P496 HydrophobicContact CE2-CG 3.59Å; F483-P496 VanDerWaalsContact CZ-CD 3.44Å; F483-P496 HydrophobicContact CZ-CG 3.71Å |
| 484 | N | 96.3 | Very high | 94.9 | Very high | 6 Ų | 6 | 36 Ų | 36 | 3% | 0.032 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -67 | -38.7 | 175.4 | -67 | -16 | 0 | 0 | 0 | 111 | L403 N480 V481 N487 N488 G489 S491 V492 | L403-N484 HydrophobicContact CD1-CB 3.89Å; L403-N484 HydrophobicContact CD2-CB 4.39Å; N480-N484 WeakPolarHBondContact O-CB 3.42Å; N480-N484 PolarHBondContact O-N 2.93Å; N480-N484 PolarHBondContact O-ND2 3.01Å; N480-N484 PolarHBondContact OD1-ND2 3.47Å; N480-N484 VanDerWaalsContact OD1-ND2 3.09Å; V481-N484 PolarHBondContact O-N 3.23Å; N484-N487 CarbonylContact O-C 3.37Å; N484-N487 PolarHBondContact O-N 3.44Å; N484-N488 PolarHBondContact O-N 3.31Å; N484-G489 WeakPolarHBondContact O-CA 3.35Å; N484-G489 PolarHBondContact O-N 2.99Å; N484-S491 WeakPolarHBondContact OD1-CA 3.38Å; N484-V492 PolarHBondContact OD1-N 3.11Å |
| 485 | W | 96.3 | Very high | 94.8 | Very high | 31 Ų | 31 | 37.7 Ų | 37.7 | 12% | 0.117 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.6 | -42.9 | 173.5 | -175.3 | 96.3 | 0 | 0 | 0 | 111.7 | S262 I263 F264 R315 H316 L317 V481 M482 F483 N487 N488 | S262-W485 VanDerWaalsContact C-CH2 3.5Å; S262-W485 WeakPolarHBondContact O-CH2 2.94Å; I263-W485 VanDerWaalsContact C-CH2 3.48Å; F264-W485 HydrophobicContact CB-CD2 3.81Å; F264-W485 HydrophobicContact CB-CE3 3.52Å; F264-W485 HydrophobicContact CB-CH2 3.91Å; F264-W485 HydrophobicContact CB-CZ2 4.18Å; F264-W485 HydrophobicContact CB-CZ3 3.55Å; F264-W485 HydrophobicContact CD2-CB 4.16Å; F264-W485 AromaticContact CD2-CD1 3.93Å; F264-W485 AromaticContact CD2-CD2 3.8Å; F264-W485 HydrophobicContact CD2-CD2 3.8Å; F264-W485 HydrophobicContact CD2-CE3 4.29Å; F264-W485 AromaticContact CD2-CG 3.7Å; F264-W485 HydrophobicContact CD2-CG 3.7Å; F264-W485 HydrophobicContact CE2-CG 4.42Å; F264-W485 HydrophobicContact CG-CD2 4.26Å; F264-W485 HydrophobicContact CG-CE3 4.31Å; R315-W485 HydrophobicContact CB-CE3 4.27Å; R315-W485 HydrophobicContact CB-CH2 3.95Å; R315-W485 HydrophobicContact CB-CZ3 3.57Å; R315-W485 WeakPolarHBondContact CD-O 3.4Å; R315-W485 HydrophobicContact CG-CH2 3.98Å; R315-W485 HydrophobicContact CG-CZ3 4.01Å; R315-W485 PolarHBondContact NH1-O 2.93Å; H316-W485 WeakPolarHBondContact O-CZ3 2.93Å; L317-W485 HydrophobicContact CD2-CE3 4.49Å; V481-W485 VanDerWaalsContact O-CB 3.26Å; V481-W485 WeakPolarHBondContact O-CB 3.34Å; V481-W485 PolarHBondContact O-N 3.27Å; M482-W485 PolarHBondContact O-N 3.45Å; F483-W485 VanDerWaalsContact C-N 3.33Å; W485-N487 PolarHBondContact O-N 3.49Å; W485-N488 PolarHBondContact O-N 2.81Å; W485-N488 VanDerWaalsContact O-N 3.08Å |
| 486 | L | 96.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -57.3 | -38.4 | 173.3 | -87.6 | 175.3 | 0 | 0 | 0 | 112.1 | I306 L309 T313 R315 L317 M482 F483 N488 | I306-L486 HydrophobicContact CG1-CD1 4.25Å; I306-L486 HydrophobicContact CG2-CD1 4.12Å; L309-L486 HydrophobicContact CB-CB 4.4Å; L309-L486 HydrophobicContact CD1-CB 4.41Å; T313-L486 WeakPolarHBondContact CB-O 3.49Å; T313-L486 VanDerWaalsContact CG2-O 3.24Å; T313-L486 WeakPolarHBondContact CG2-O 3.41Å; T313-L486 PolarHBondContact OG1-O 2.9Å; R315-L486 HydrophobicContact CB-CD2 3.97Å; R315-L486 VanDerWaalsContact O-CD2 3.31Å; R315-L486 WeakPolarHBondContact O-CD2 3.48Å; L317-L486 HydrophobicContact CD1-CD1 3.43Å; L317-L486 VanDerWaalsContact CD1-CD1 3.43Å; L317-L486 HydrophobicContact CD1-CG 4.14Å; L317-L486 HydrophobicContact CD2-CD1 4.04Å; L317-L486 HydrophobicContact CD2-CD2 4.17Å; L317-L486 HydrophobicContact CD2-CG 3.76Å; L317-L486 HydrophobicContact CG-CD1 3.66Å; L317-L486 HydrophobicContact CG-CD2 4.01Å; L317-L486 HydrophobicContact CG-CG 3.83Å; M482-L486 WeakPolarHBondContact O-CB 3.48Å; M482-L486 WeakPolarHBondContact O-CG 3.33Å; M482-L486 PolarHBondContact O-N 2.87Å; F483-L486 WeakPolarHBondContact O-CB 3.06Å; F483-L486 PolarHBondContact O-N 3.12Å; L486-N488 PolarHBondContact O-N 3.25Å |
| 487 | N | 95.9 | Very high | 94.7 | Very high | 18 Ų | 18 | 39.6 Ų | 39.6 | 10% | 0.096 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 27.4 | 177.7 | -164.4 | 28.6 | 0 | 0 | 0 | 113.1 | L309 F483 N484 W485 G489 S490 V492 | L309-N487 HydrophobicContact CD2-CB 3.95Å; F483-N487 PolarHBondContact O-N 2.01Å; N484-N487 CarbonylContact O-C 3.37Å; N484-N487 PolarHBondContact O-N 3.44Å; W485-N487 PolarHBondContact O-N 3.49Å; N487-G489 VanDerWaalsContact C-N 3.34Å; N487-G489 PolarHBondContact O-N 3.2Å; N487-S490 WeakPolarHBondContact ND2-CB 3.44Å; N487-S490 PolarHBondContact ND2-O 3.22Å; N487-S490 VanDerWaalsContact ND2-O 3.14Å; N487-S490 WeakPolarHBondContact O-CB 3.47Å; N487-S490 PolarHBondContact O-N 3.02Å; N487-S490 VanDerWaalsContact O-N 3.14Å; N487-V492 HydrophobicContact CB-CG2 3.67Å |
| 488 | N | 93.1 | Very high | 94.7 | Very high | 104 Ų | 104 | 40 Ų | 40 | 56% | 0.556 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.8 | 42.3 | 174.6 | -159.4 | 48.3 | 0 | 0 | 0 | 113.4 | T313 R315 N484 W485 L486 S490 | T313-N488 HydrophobicContact CG2-CB 4.08Å; R315-N488 VanDerWaalsContact CZ-OD1 3.29Å; R315-N488 PolarHBondContact NE-OD1 3.1Å; R315-N488 PolarHBondContact NH2-OD1 3.25Å; N484-N488 PolarHBondContact O-N 3.31Å; W485-N488 PolarHBondContact O-N 2.81Å; W485-N488 VanDerWaalsContact O-N 3.08Å; L486-N488 PolarHBondContact O-N 3.25Å; N488-S490 VanDerWaalsContact C-N 3.3Å; N488-S490 PolarHBondContact O-N 2.82Å |
| 489 | G | 90 | Very high | 94.7 | Very high | 25 Ų | 25 | 42.9 Ų | 42.9 | 26% | 0.258 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.9 | -6.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | E399 N484 N487 | E399-G489 WeakPolarHBondContact OE1-CA 3.3Å; N484-G489 WeakPolarHBondContact O-CA 3.35Å; N484-G489 PolarHBondContact O-N 2.99Å; N487-G489 VanDerWaalsContact C-N 3.34Å; N487-G489 PolarHBondContact O-N 3.2Å |
| 490 | S | 92.2 | Very high | 94.6 | Very high | 65 Ų | 65 | 47.8 Ų | 47.8 | 46% | 0.455 | 27% | 0.271 | S | S | . | . | P | Polyproline II helix | trans | -83.3 | 137.3 | 179.6 | -61.6 | 0 | 0 | 0 | 0 | 111.6 | N487 N488 V492 | N487-S490 WeakPolarHBondContact ND2-CB 3.44Å; N487-S490 PolarHBondContact ND2-O 3.22Å; N487-S490 VanDerWaalsContact ND2-O 3.14Å; N487-S490 WeakPolarHBondContact O-CB 3.47Å; N487-S490 PolarHBondContact O-N 3.02Å; N487-S490 VanDerWaalsContact O-N 3.14Å; N488-S490 VanDerWaalsContact C-N 3.3Å; N488-S490 PolarHBondContact O-N 2.82Å; S490-V492 PolarHBondContact O-N 3.24Å |
| 491 | S | 91.8 | Very high | 94.5 | Very high | 99 Ų | 99 | 54 Ų | 54 | 69% | 0.692 | 30% | 0.297 | S | S | * | . | P | Polyproline II helix | trans | -57.8 | 135.1 | 178.7 | 60.1 | 0 | 0 | 0 | 0 | 112.3 | N484 | N484-S491 WeakPolarHBondContact OD1-CA 3.38Š|
| 492 | V | 93.3 | Very high | 94.4 | Very high | 22 Ų | 22 | 54.5 Ų | 54.5 | 13% | 0.133 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -103.6 | 131.5 | 172.1 | -179.2 | 0 | 0 | 0 | 0 | 108.7 | L305 L309 F483 N484 N487 S490 V495 | L305-V492 HydrophobicContact CD2-CG1 4.19Å; L309-V492 HydrophobicContact CD1-CG1 4.48Å; L309-V492 HydrophobicContact CD1-CG2 4.05Å; F483-V492 HydrophobicContact CB-CB 4.33Å; F483-V492 HydrophobicContact CB-CG2 4.24Å; F483-V492 HydrophobicContact CD1-CG1 4.41Å; N484-V492 PolarHBondContact OD1-N 3.11Å; N487-V492 HydrophobicContact CB-CG2 3.67Å; S490-V492 PolarHBondContact O-N 3.24Å; V492-V495 HydrophobicContact CB-CG2 3.76Å; V492-V495 HydrophobicContact CG1-CG2 3.94Å |
| 493 | Q | 86 | Confident | 94.3 | Very high | 185 Ų | 185 | 54.5 Ų | 54.5 | 86% | 0.864 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -79.3 | -39.9 | -178.6 | -73.2 | -169.2 | -12.1 | 0 | 0 | 112.6 | V495 | Q493-V495 VanDerWaalsContact C-N 3.34Å; Q493-V495 PolarHBondContact O-N 3.23Å |
| 494 | D | 89.4 | Confident | 94.1 | Very high | 127 Ų | 127 | 56.6 Ų | 56.6 | 68% | 0.679 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -97.7 | 40.5 | -172 | -56 | -52.6 | 0 | 0 | 0 | 112.7 | L305 | L305-D494 HydrophobicContact CD2-CB 4.45Å; L305-D494 WeakPolarHBondContact CD2-O 3.37Å |
| 495 | V | 94.3 | Very high | 94 | Very high | 37 Ų | 37 | 58.5 Ų | 58.5 | 22% | 0.224 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 128.5 | 175 | -179.9 | 0 | 0 | 0 | 0 | 108.8 | L479 F483 V492 Q493 | L479-V495 HydrophobicContact CB-CG1 4.01Å; F483-V495 HydrophobicContact CB-CG1 4.33Å; F483-V495 HydrophobicContact CB-CG2 3.77Å; F483-V495 HydrophobicContact CD2-CG1 3.89Å; F483-V495 HydrophobicContact CG-CG1 4.18Å; F483-V495 HydrophobicContact CG-CG2 4.15Å; V492-V495 HydrophobicContact CB-CG2 3.76Å; V492-V495 HydrophobicContact CG1-CG2 3.94Å; Q493-V495 VanDerWaalsContact C-N 3.34Å; Q493-V495 PolarHBondContact O-N 3.23Å |
| 496 | P | 95.6 | Very high | 94 | Very high | 13 Ų | 13 | 57.1 Ų | 57.1 | 8% | 0.084 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -63 | 143.2 | 177.1 | 26.8 | -35.2 | 0 | 0 | 0 | 111.2 | A298 S302 L479 F483 | A298-P496 HydrophobicContact CB-CB 4.33Å; A298-P496 HydrophobicContact CB-CG 4.42Å; S302-P496 WeakPolarHBondContact OG-CB 3.31Å; S302-P496 WeakPolarHBondContact OG-CG 3.42Å; L479-P496 VanDerWaalsContact CD1-O 3.31Å; L479-P496 WeakPolarHBondContact CD1-O 3.45Å; L479-P496 HydrophobicContact CD2-CG 4.48Å; F483-P496 VanDerWaalsContact CE2-CD 3.44Å; F483-P496 HydrophobicContact CE2-CG 3.59Å; F483-P496 VanDerWaalsContact CZ-CD 3.44Å; F483-P496 HydrophobicContact CZ-CG 3.71Å |
| 497 | S | 96.3 | Very high | 93.8 | Very high | 74 Ų | 74 | 57.7 Ų | 57.7 | 52% | 0.517 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -91.1 | 149.5 | 169.6 | 62 | 0 | 0 | 0 | 0 | 111.2 | R301 N476 D499 | R301-S497 PolarHBondContact NH2-O 2.97Å; N476-S497 WeakPolarHBondContact OD1-CA 2.95Å; S497-D499 PolarHBondContact O-N 2.96Å |
| 498 | I | 97.7 | Very high | 93.7 | Very high | 8 Ų | 8 | 60 Ų | 60 | 4% | 0.041 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -61 | 130.1 | 168.5 | -62.1 | -67.8 | 0 | 0 | 0 | 109.8 | A294 V295 A298 V472 G475 N476 L479 E500 V503 | A294-I498 HydrophobicContact CB-CD1 4.07Å; A294-I498 HydrophobicContact CB-CG2 4.11Å; A294-I498 WeakPolarHBondContact O-CD1 3.23Å; V295-I498 HydrophobicContact CG2-CD1 4.12Å; A298-I498 HydrophobicContact CB-CD1 4.28Å; V472-I498 HydrophobicContact CG1-CB 4.43Å; V472-I498 HydrophobicContact CG1-CG2 4.46Å; V472-I498 HydrophobicContact CG2-CG2 4.25Å; G475-I498 VanDerWaalsContact C-CG1 3.47Å; N476-I498 WeakPolarHBondContact OD1-CG1 3.22Å; N476-I498 PolarHBondContact OD1-N 3.4Å; L479-I498 HydrophobicContact CD1-CD1 3.59Å; L479-I498 HydrophobicContact CD1-CG1 3.92Å; L479-I498 HydrophobicContact CG-CD1 4.47Å; I498-E500 PolarHBondContact O-N 3.25Å; I498-V503 HydrophobicContact CG2-CG2 3.56Å |
| 499 | D | 96.3 | Very high | 93.6 | Very high | 60 Ų | 60 | 55.2 Ų | 55.2 | 32% | 0.321 | 31% | 0.311 | S | S | . | . | trans | -79.7 | 114.3 | 171.5 | -175.3 | -8.9 | 0 | 0 | 0 | 110.1 | S497 K501 I502 V503 | S497-D499 PolarHBondContact O-N 2.96Å; D499-K501 PolarHBondContact O-N 3.42Å; D499-K501 VanDerWaalsContact OD1-CB 3.31Å; D499-K501 WeakPolarHBondContact OD1-CB 3.47Å; D499-K501 PolarHBondContact OD1-N 2.94Å; D499-I502 HydrophobicContact CB-CB 4.32Å; D499-I502 HydrophobicContact CB-CG1 3.75Å; D499-I502 WeakPolarHBondContact O-CB 3.25Å; D499-I502 PolarHBondContact O-N 3Å; D499-I502 VanDerWaalsContact O-N 3.11Å; D499-V503 PolarHBondContact O-N 2.91Å | ||
| 500 | E | 96.1 | Very high | 93.8 | Very high | 103 Ų | 103 | 54.2 Ų | 54.2 | 48% | 0.481 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -58.2 | -29.8 | 177.1 | -68.1 | -163.8 | -152.4 | 0 | 0 | 113.8 | K468 V472 I498 I502 V503 T504 | K468-E500 WeakPolarHBondContact CE-OE2 3.4Å; K468-E500 IonicContact NZ-OE2 3.26Å; K468-E500 PolarHBondContact NZ-OE2 3.25Å; V472-E500 HydrophobicContact CG1-CG 4.13Å; V472-E500 HydrophobicContact CG2-CG 3.96Å; I498-E500 PolarHBondContact O-N 3.25Å; E500-I502 VanDerWaalsContact C-N 3.34Å; E500-V503 PolarHBondContact O-N 3Å; E500-T504 WeakPolarHBondContact O-CB 2.91Å; E500-T504 PolarHBondContact O-N 2.87Å; E500-T504 PolarHBondContact O-OG1 2.91Å |
| 501 | K | 94.6 | Very high | 93.7 | Very high | 156 Ų | 156 | 54.8 Ų | 54.8 | 68% | 0.678 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -67.6 | -39.4 | 177.8 | -64.8 | 179.3 | -179.2 | 175.3 | 0 | 110.5 | D499 T504 S505 | D499-K501 PolarHBondContact O-N 3.42Å; D499-K501 VanDerWaalsContact OD1-CB 3.31Å; D499-K501 WeakPolarHBondContact OD1-CB 3.47Å; D499-K501 PolarHBondContact OD1-N 2.94Å; K501-T504 WeakPolarHBondContact O-CB 3.37Å; K501-T504 PolarHBondContact O-N 3.15Å; K501-S505 PolarHBondContact O-N 3.02Å; K501-S505 PolarHBondContact O-OG 3.11Å; K501-S505 VanDerWaalsContact O-OG 3.08Å |
| 502 | I | 94.7 | Very high | 93.7 | Very high | 11 Ų | 11 | 51.6 Ų | 51.6 | 6% | 0.056 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63 | -48.2 | 175.8 | -58.6 | -60.3 | 0 | 0 | 0 | 110.2 | E297 D499 E500 T504 S505 L506 F571 L601 | E297-I502 HydrophobicContact CB-CG2 4.4Å; E297-I502 HydrophobicContact CG-CG1 4.12Å; E297-I502 HydrophobicContact CG-CG2 4.22Å; D499-I502 HydrophobicContact CB-CB 4.32Å; D499-I502 HydrophobicContact CB-CG1 3.75Å; D499-I502 WeakPolarHBondContact O-CB 3.25Å; D499-I502 PolarHBondContact O-N 3Å; D499-I502 VanDerWaalsContact O-N 3.11Å; E500-I502 VanDerWaalsContact C-N 3.34Å; I502-T504 PolarHBondContact O-N 2.96Å; I502-S505 PolarHBondContact O-N 3.36Å; I502-L506 HydrophobicContact CG2-CD1 4.03Å; I502-L506 HydrophobicContact CG2-CG 4.27Å; I502-L506 VanDerWaalsContact O-CG 3.29Å; I502-L506 WeakPolarHBondContact O-CG 2.98Å; I502-L506 PolarHBondContact O-N 3.44Å; I502-F571 HydrophobicContact CG2-CE1 4.37Å; I502-F571 HydrophobicContact CG2-CE2 4.45Å; I502-F571 HydrophobicContact CG2-CZ 3.89Å; I502-L601 HydrophobicContact CD1-CD1 3.36Å; I502-L601 HydrophobicContact CD1-CD2 3.76Å; I502-L601 HydrophobicContact CD1-CG 4.19Å |
| 503 | V | 95.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58 | -41.4 | 176.6 | 180 | 0 | 0 | 0 | 0 | 110.9 | I290 A294 K468 A471 V472 I498 D499 E500 L506 I507 | I290-V503 HydrophobicContact CG2-CG1 4.37Å; A294-V503 HydrophobicContact CB-CG2 3.82Å; K468-V503 HydrophobicContact CG-CG1 4.07Å; A471-V503 HydrophobicContact CB-CG1 4.08Å; V472-V503 HydrophobicContact CG2-CB 4.25Å; V472-V503 HydrophobicContact CG2-CG1 4.35Å; V472-V503 HydrophobicContact CG2-CG2 3.93Å; I498-V503 HydrophobicContact CG2-CG2 3.56Å; D499-V503 PolarHBondContact O-N 2.91Å; E500-V503 PolarHBondContact O-N 3Å; V503-L506 PolarHBondContact O-N 3.12Å; V503-I507 HydrophobicContact CG1-CD1 3.87Å; V503-I507 HydrophobicContact CG1-CG1 4.5Å; V503-I507 VanDerWaalsContact O-CG1 3.3Å; V503-I507 WeakPolarHBondContact O-CG1 3.08Å; V503-I507 PolarHBondContact O-N 2.97Å |
| 504 | T | 94.8 | Very high | 93.5 | Very high | 45 Ų | 45 | 42.7 Ų | 42.7 | 28% | 0.276 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -62.3 | -49.1 | 176.8 | -53.4 | 0 | 0 | 0 | 0 | 111.1 | K468 E500 K501 I502 L506 I507 D508 | K468-T504 WeakPolarHBondContact CE-OG1 3.46Å; E500-T504 WeakPolarHBondContact O-CB 2.91Å; E500-T504 PolarHBondContact O-N 2.87Å; E500-T504 PolarHBondContact O-OG1 2.91Å; K501-T504 WeakPolarHBondContact O-CB 3.37Å; K501-T504 PolarHBondContact O-N 3.15Å; I502-T504 PolarHBondContact O-N 2.96Å; T504-L506 VanDerWaalsContact C-N 3.33Å; T504-L506 PolarHBondContact O-N 3.01Å; T504-I507 PolarHBondContact O-N 2.86Å; T504-D508 WeakPolarHBondContact O-CB 3.3Å; T504-D508 VanDerWaalsContact O-CG 3.26Å; T504-D508 PolarHBondContact O-N 2.83Å |
| 505 | S | 93.8 | Very high | 93.5 | Very high | 46 Ų | 46 | 43 Ų | 43 | 32% | 0.322 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -62.2 | -38.1 | 178.1 | -60.3 | 0 | 0 | 0 | 0 | 112.7 | K501 I502 D508 C509 | K501-S505 PolarHBondContact O-N 3.02Å; K501-S505 PolarHBondContact O-OG 3.11Å; K501-S505 VanDerWaalsContact O-OG 3.08Å; I502-S505 PolarHBondContact O-N 3.36Å; S505-D508 PolarHBondContact O-N 2.84Å; S505-C509 WeakPolarHBondContact O-CB 3.34Å; S505-C509 PolarHBondContact O-N 3.34Å |
| 506 | L | 95.1 | Very high | 93.1 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.5 | -48.5 | 175.2 | -69.3 | 175.4 | 0 | 0 | 0 | 111 | I290 L293 I502 V503 T504 D508 C509 F510 L567 F571 | I290-L506 HydrophobicContact CG2-CB 4.21Å; I290-L506 HydrophobicContact CG2-CD1 4.38Å; L293-L506 HydrophobicContact CB-CD1 3.86Å; L293-L506 HydrophobicContact CD1-CD2 4.22Å; I502-L506 HydrophobicContact CG2-CD1 4.03Å; I502-L506 HydrophobicContact CG2-CG 4.27Å; I502-L506 VanDerWaalsContact O-CG 3.29Å; I502-L506 WeakPolarHBondContact O-CG 2.98Å; I502-L506 PolarHBondContact O-N 3.44Å; V503-L506 PolarHBondContact O-N 3.12Å; T504-L506 VanDerWaalsContact C-N 3.33Å; T504-L506 PolarHBondContact O-N 3.01Å; L506-D508 VanDerWaalsContact C-N 3.32Å; L506-D508 PolarHBondContact O-N 2.93Å; L506-C509 PolarHBondContact O-N 2.76Å; L506-F510 HydrophobicContact CB-CD2 4.44Å; L506-F510 HydrophobicContact CD2-CE2 4.37Å; L506-F510 WeakPolarHBondContact O-CB 3.42Å; L506-F510 WeakPolarHBondContact O-CD2 3.44Å; L506-F510 PolarHBondContact O-N 2.95Å; L506-L567 HydrophobicContact CD2-CD1 3.69Å; L506-L567 HydrophobicContact CD2-CD2 4.46Å; L506-F571 HydrophobicContact CD2-CE2 4.32Å; L506-F571 HydrophobicContact CD2-CZ 4.3Å |
| 507 | I | 94.2 | Very high | 92.7 | Very high | 13 Ų | 13 | 46 Ų | 46 | 7% | 0.067 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.7 | -46.3 | 175.5 | -70.8 | 167.3 | 0 | 0 | 0 | 110.3 | I290 I462 F467 K468 V503 T504 C509 F510 K511 | I290-I507 HydrophobicContact CD1-CG1 4.11Å; I290-I507 HydrophobicContact CG2-CG1 4.42Å; I462-I507 VanDerWaalsContact O-CG2 3.3Å; I462-I507 WeakPolarHBondContact O-CG2 3.44Å; F467-I507 HydrophobicContact CD1-CD1 3.69Å; F467-I507 HydrophobicContact CD1-CG1 4.08Å; F467-I507 HydrophobicContact CE1-CD1 3.81Å; F467-I507 HydrophobicContact CE1-CG1 3.82Å; K468-I507 HydrophobicContact CB-CD1 3.91Å; K468-I507 HydrophobicContact CG-CD1 4.32Å; V503-I507 HydrophobicContact CG1-CD1 3.87Å; V503-I507 HydrophobicContact CG1-CG1 4.5Å; V503-I507 VanDerWaalsContact O-CG1 3.3Å; V503-I507 WeakPolarHBondContact O-CG1 3.08Å; V503-I507 PolarHBondContact O-N 2.97Å; T504-I507 PolarHBondContact O-N 2.86Å; I507-C509 PolarHBondContact O-N 2.77Å; I507-F510 PolarHBondContact O-N 3.28Å; I507-K511 VanDerWaalsContact O-CB 3.28Å; I507-K511 WeakPolarHBondContact O-CB 3.43Å; I507-K511 WeakPolarHBondContact O-CG 3.4Å; I507-K511 PolarHBondContact O-N 3.35Å |
| 508 | D | 92.1 | Very high | 92.4 | Very high | 65 Ų | 65 | 43.2 Ų | 43.2 | 35% | 0.348 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -61.7 | -33.4 | -179.1 | -76.2 | -16.3 | 0 | 0 | 0 | 112.6 | T504 S505 L506 K511 T512 | T504-D508 WeakPolarHBondContact O-CB 3.3Å; T504-D508 VanDerWaalsContact O-CG 3.26Å; T504-D508 PolarHBondContact O-N 2.83Å; S505-D508 PolarHBondContact O-N 2.84Å; L506-D508 VanDerWaalsContact C-N 3.32Å; L506-D508 PolarHBondContact O-N 2.93Å; D508-K511 WeakPolarHBondContact O-CG 3.17Å; D508-K511 VanDerWaalsContact OD1-CE 3.31Å; D508-K511 WeakPolarHBondContact OD1-CE 3.49Å; D508-K511 IonicContact OD1-NZ 3.43Å; D508-K511 PolarHBondContact OD1-NZ 2.91Å; D508-T512 WeakPolarHBondContact O-CG2 3.07Å |
| 509 | C | 93 | Very high | 92 | Very high | 5 Ų | 5 | 45.3 Ų | 45.3 | 3% | 0.034 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -81 | -39.4 | 176.7 | -161.1 | 0 | 0 | 0 | 0 | 112.6 | S505 L506 I507 K511 T512 C518 | S505-C509 WeakPolarHBondContact O-CB 3.34Å; S505-C509 PolarHBondContact O-N 3.34Å; L506-C509 PolarHBondContact O-N 2.76Å; I507-C509 PolarHBondContact O-N 2.77Å; C509-K511 VanDerWaalsContact C-N 3.35Å; C509-K511 PolarHBondContact O-N 2.79Å; C509-T512 PolarHBondContact O-OG1 3.07Å; C509-C518 WeakPolarHBondContact CA-SG 3.19Å; C509-C518 HydrophobicContact CB-CB 3.51Å; C509-C518 WeakPolarHBondContact CB-SG 2.93Å; C509-C518 WeakPolarHBondContact SG-CB 3.19Å; C509-C518 CovalentContact SG-SG 2.05Å; C509-C518 PolarHBondContact SG-SG 2.77Å |
| 510 | F | 92.9 | Very high | 91.8 | Very high | 3 Ų | 3 | 42.6 Ų | 42.6 | 1% | 0.013 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -77.4 | -18.1 | -179.5 | -80.8 | -53 | 0 | 0 | 0 | 114.2 | V286 I290 L293 I462 L506 I507 W516 R547 I560 L563 | V286-F510 HydrophobicContact CG1-CB 4.01Å; V286-F510 HydrophobicContact CG1-CD1 4.25Å; V286-F510 HydrophobicContact CG1-CD2 4.42Å; V286-F510 HydrophobicContact CG1-CG 3.98Å; I290-F510 HydrophobicContact CD1-CB 4.3Å; I290-F510 HydrophobicContact CD1-CD2 3.96Å; I290-F510 HydrophobicContact CD1-CG 4.49Å; I290-F510 HydrophobicContact CG1-CD2 3.6Å; I290-F510 HydrophobicContact CG1-CE2 4.02Å; L293-F510 HydrophobicContact CD1-CE2 4.02Å; L293-F510 HydrophobicContact CD1-CZ 4.2Å; I462-F510 HydrophobicContact CD1-CB 4.09Å; L506-F510 HydrophobicContact CB-CD2 4.44Å; L506-F510 HydrophobicContact CD2-CE2 4.37Å; L506-F510 WeakPolarHBondContact O-CB 3.42Å; L506-F510 WeakPolarHBondContact O-CD2 3.44Å; L506-F510 PolarHBondContact O-N 2.95Å; I507-F510 PolarHBondContact O-N 3.28Å; F510-W516 HydrophobicContact CD1-CZ3 4.13Å; F510-W516 HydrophobicContact CE1-CZ3 4.5Å; F510-R547 PolarHBondContact O-NH1 3.48Å; F510-R547 PolarHBondContact O-NH2 2.8Å; F510-I560 HydrophobicContact CD1-CD1 4.23Å; F510-I560 HydrophobicContact CE1-CD1 3.39Å; F510-I560 HydrophobicContact CZ-CD1 3.79Å; F510-L563 HydrophobicContact CD1-CD1 4.49Å; F510-L563 HydrophobicContact CE1-CB 4.37Å; F510-L563 HydrophobicContact CE1-CD1 3.91Å; F510-L563 HydrophobicContact CZ-CB 4.48Å |
| 511 | K | 90.8 | Very high | 91.4 | Very high | 77 Ų | 77 | 38.3 Ų | 38.3 | 34% | 0.335 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -83.3 | -21 | 176.6 | 77.9 | -173.2 | -173.7 | -170.3 | 0 | 113.7 | I462 Q463 I507 D508 C509 W513 | I462-K511 HydrophobicContact CD1-CB 4.48Å; Q463-K511 HydrophobicContact CG-CB 3.85Å; Q463-K511 HydrophobicContact CG-CD 4.17Å; I507-K511 VanDerWaalsContact O-CB 3.28Å; I507-K511 WeakPolarHBondContact O-CB 3.43Å; I507-K511 WeakPolarHBondContact O-CG 3.4Å; I507-K511 PolarHBondContact O-N 3.35Å; D508-K511 WeakPolarHBondContact O-CG 3.17Å; D508-K511 VanDerWaalsContact OD1-CE 3.31Å; D508-K511 WeakPolarHBondContact OD1-CE 3.49Å; D508-K511 IonicContact OD1-NZ 3.43Å; D508-K511 PolarHBondContact OD1-NZ 2.91Å; C509-K511 VanDerWaalsContact C-N 3.35Å; C509-K511 PolarHBondContact O-N 2.79Å; K511-W513 PolarHBondContact O-N 2.76Å; K511-W513 VanDerWaalsContact O-N 3.16Å |
| 512 | T | 90.5 | Very high | 91.2 | Very high | 33 Ų | 33 | 35.4 Ų | 35.4 | 20% | 0.202 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -80.1 | 13.7 | -178.4 | 57.4 | 0 | 0 | 0 | 0 | 112.8 | D508 C509 E515 W516 N517 | D508-T512 WeakPolarHBondContact O-CG2 3.07Å; C509-T512 PolarHBondContact O-OG1 3.07Å; T512-E515 CarbonylContact O-C 3.55Å; T512-E515 WeakPolarHBondContact O-CA 3.37Å; T512-E515 PolarHBondContact O-N 3.09Å; T512-W516 PolarHBondContact O-N 3.5Å; T512-N517 WeakPolarHBondContact CG2-O 3.43Å; T512-N517 PolarHBondContact OG1-N 3Å |
| 513 | W | 89 | Confident | 90.9 | Very high | 12 Ų | 12 | 35.6 Ų | 35.6 | 5% | 0.045 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | 138.1 | 168.4 | 178 | 90.1 | 0 | 0 | 0 | 109.6 | E115 Y279 P281 L458 P459 K511 W516 S544 R545 | E115-W513 VanDerWaalsContact OE1-CZ3 3.29Å; E115-W513 WeakPolarHBondContact OE1-CZ3 3.32Å; Y279-W513 HydrophobicContact CD1-CH2 4.43Å; Y279-W513 AromaticContact CE1-CH2 3.69Å; Y279-W513 HydrophobicContact CE1-CH2 3.69Å; Y279-W513 HydrophobicContact CE1-CZ2 4.35Å; Y279-W513 HydrophobicContact CE2-CH2 4.05Å; Y279-W513 AromaticContact CZ-CH2 3.45Å; Y279-W513 VanDerWaalsContact CZ-CH2 3.45Å; Y279-W513 WeakPolarHBondContact OH-CH2 3.3Å; P281-W513 HydrophobicContact CB-CD2 4.49Å; P281-W513 HydrophobicContact CB-CE3 4.5Å; P281-W513 HydrophobicContact CB-CH2 3.82Å; P281-W513 HydrophobicContact CB-CZ2 3.82Å; P281-W513 HydrophobicContact CB-CZ3 4.22Å; P281-W513 HydrophobicContact CG-CH2 4.34Å; L458-W513 HydrophobicContact CD2-CE3 4.39Å; L458-W513 HydrophobicContact CD2-CH2 3.88Å; L458-W513 HydrophobicContact CD2-CZ3 3.45Å; L458-W513 VanDerWaalsContact CD2-CZ3 3.45Å; P459-W513 HydrophobicContact CG-CB 4.49Å; P459-W513 HydrophobicContact CG-CE3 4.33Å; K511-W513 PolarHBondContact O-N 2.76Å; K511-W513 VanDerWaalsContact O-N 3.16Å; W513-W516 AromaticContact CD1-CE2 3.88Å; W513-W516 AromaticContact CD1-CZ2 3.59Å; W513-S544 PolarHBondContact NE1-O 2.94Å; W513-R545 HydrophobicContact CH2-CG 4.12Å; W513-R545 HydrophobicContact CZ2-CB 3.78Å; W513-R545 HydrophobicContact CZ2-CG 3.65Å |
| 514 | P | 87.5 | Confident | 90.6 | Very high | 8 Ų | 8 | 35.6 Ų | 35.6 | 5% | 0.052 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -90.2 | -3.1 | 4.3 | 35.4 | -36.5 | 0 | 0 | 0 | 115.6 | W516 S544 R545 | P514-W516 VanDerWaalsContact C-N 3.3Å; P514-W516 PolarHBondContact O-N 3.02Å; P514-W516 PolarHBondContact O-NE1 2.89Å; P514-S544 WeakPolarHBondContact O-CB 3.31Å; P514-R545 HydrophobicContact CB-CG 3.46Å; P514-R545 VanDerWaalsContact CB-CG 3.46Å; P514-R545 HydrophobicContact CG-CG 4.04Å |
| 515 | E | 88 | Confident | 90.2 | Very high | 134 Ų | 134 | 34 Ų | 34 | 63% | 0.626 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -24.4 | -175.1 | -62.8 | 75.2 | -161.5 | 0 | 0 | 113.5 | T512 N517 | T512-E515 CarbonylContact O-C 3.55Å; T512-E515 WeakPolarHBondContact O-CA 3.37Å; T512-E515 PolarHBondContact O-N 3.09Å; E515-N517 HydrophobicContact CB-CB 4.31Å; E515-N517 PolarHBondContact O-N 3.07Å |
| 516 | W | 86.3 | Confident | 89.9 | Confident | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.008 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.3 | 30.2 | -175.8 | -58.2 | 100.1 | 0 | 0 | 0 | 113.2 | F510 T512 W513 P514 C518 F521 S544 R547 M559 L563 | F510-W516 HydrophobicContact CD1-CZ3 4.13Å; F510-W516 HydrophobicContact CE1-CZ3 4.5Å; T512-W516 PolarHBondContact O-N 3.5Å; W513-W516 AromaticContact CD1-CE2 3.88Å; W513-W516 AromaticContact CD1-CZ2 3.59Å; P514-W516 VanDerWaalsContact C-N 3.3Å; P514-W516 PolarHBondContact O-N 3.02Å; P514-W516 PolarHBondContact O-NE1 2.89Å; W516-C518 VanDerWaalsContact C-N 3.35Å; W516-C518 PolarHBondContact O-N 3.4Å; W516-F521 HydrophobicContact CB-CD1 3.8Å; W516-F521 HydrophobicContact CB-CE1 3.59Å; W516-F521 HydrophobicContact CB-CE2 4.45Å; W516-F521 HydrophobicContact CB-CG 4.25Å; W516-F521 HydrophobicContact CB-CZ 3.88Å; W516-F521 HydrophobicContact CG-CZ 4.35Å; W516-F521 WeakPolarHBondContact O-CD1 3.44Å; W516-S544 PolarHBondContact NE1-O 2.77Å; W516-R547 HydrophobicContact CH2-CG 3.69Å; W516-R547 HydrophobicContact CZ2-CB 4.15Å; W516-R547 HydrophobicContact CZ2-CG 3.79Å; W516-M559 HydrophobicContact CD2-CE 4.29Å; W516-M559 HydrophobicContact CG-CE 4.45Å; W516-M559 HydrophobicContact CH2-CB 4.08Å; W516-M559 HydrophobicContact CZ2-CB 3.6Å; W516-M559 HydrophobicContact CZ2-CG 4.14Å; W516-L563 HydrophobicContact CE3-CD1 3.65Å; W516-L563 HydrophobicContact CH2-CD1 3.77Å; W516-L563 HydrophobicContact CZ3-CD1 3.16Å |
| 517 | N | 87.6 | Confident | 89.3 | Confident | 111 Ų | 111 | 37.3 Ų | 37.3 | 59% | 0.594 | 19% | 0.187 | S | C | * | . | trans | -79.7 | 79.7 | -177.1 | -172.2 | 6.6 | 0 | 0 | 0 | 111 | T512 E515 | T512-N517 WeakPolarHBondContact CG2-O 3.43Å; T512-N517 PolarHBondContact OG1-N 3Å; E515-N517 HydrophobicContact CB-CB 4.31Å; E515-N517 PolarHBondContact O-N 3.07Å | ||
| 518 | C | 90.6 | Very high | 88.9 | Confident | 14 Ų | 14 | 37.6 Ų | 37.6 | 10% | 0.095 | 19% | 0.189 | C | C | . | . | trans | -141.5 | 146.9 | 175.7 | 42.3 | 0 | 0 | 0 | 0 | 111.7 | C509 W516 I520 F521 E522 | C509-C518 WeakPolarHBondContact CA-SG 3.19Å; C509-C518 HydrophobicContact CB-CB 3.51Å; C509-C518 WeakPolarHBondContact CB-SG 2.93Å; C509-C518 WeakPolarHBondContact SG-CB 3.19Å; C509-C518 CovalentContact SG-SG 2.05Å; C509-C518 PolarHBondContact SG-SG 2.77Å; W516-C518 VanDerWaalsContact C-N 3.35Å; W516-C518 PolarHBondContact O-N 3.4Å; C518-I520 VanDerWaalsContact C-N 3.3Å; C518-I520 PolarHBondContact O-N 2.97Å; C518-F521 WeakPolarHBondContact O-CB 3.42Å; C518-F521 PolarHBondContact O-N 2.81Å; C518-F521 WeakPolarHBondContact SG-CB 3.4Å; C518-E522 WeakPolarHBondContact O-CG 3.27Å; C518-E522 PolarHBondContact O-N 3.37Å | ||
| 519 | T | 89.2 | Confident | 88.5 | Confident | 52 Ų | 52 | 37 Ų | 37 | 32% | 0.319 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -58.4 | -38.2 | -178 | 52.3 | 0 | 0 | 0 | 0 | 113.5 | F521 E522 R523 | T519-F521 VanDerWaalsContact C-N 3.3Å; T519-F521 PolarHBondContact O-N 3.23Å; T519-E522 PolarHBondContact O-N 2.9Å; T519-R523 WeakPolarHBondContact O-CG 3.44Å; T519-R523 PolarHBondContact O-N 3.33Å |
| 520 | I | 91.1 | Very high | 88.1 | Confident | 4 Ų | 4 | 43.6 Ų | 43.6 | 2% | 0.021 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.8 | -47.2 | 174.6 | -72.6 | 174.6 | 0 | 0 | 0 | 110 | C518 R523 I524 L567 L601 | C518-I520 VanDerWaalsContact C-N 3.3Å; C518-I520 PolarHBondContact O-N 2.97Å; I520-R523 PolarHBondContact O-N 3.1Å; I520-I524 HydrophobicContact CG2-CD1 3.98Å; I520-I524 WeakPolarHBondContact O-CG1 3.34Å; I520-I524 PolarHBondContact O-N 3.29Å; I520-L567 HydrophobicContact CG2-CD2 3.75Å; I520-L567 HydrophobicContact CG2-CG 4.5Å; I520-L601 HydrophobicContact CD1-CD2 4.44Å |
| 521 | F | 89 | Confident | 87.8 | Confident | 12 Ų | 12 | 51.5 Ų | 51.5 | 5% | 0.053 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -69.7 | -43 | -178.2 | -179.6 | -109.6 | 0 | 0 | 0 | 112.2 | W516 C518 T519 R523 I524 M525 F536 L540 M559 L563 | W516-F521 HydrophobicContact CB-CD1 3.8Å; W516-F521 HydrophobicContact CB-CE1 3.59Å; W516-F521 HydrophobicContact CB-CE2 4.45Å; W516-F521 HydrophobicContact CB-CG 4.25Å; W516-F521 HydrophobicContact CB-CZ 3.88Å; W516-F521 HydrophobicContact CG-CZ 4.35Å; W516-F521 WeakPolarHBondContact O-CD1 3.44Å; C518-F521 WeakPolarHBondContact O-CB 3.42Å; C518-F521 PolarHBondContact O-N 2.81Å; C518-F521 WeakPolarHBondContact SG-CB 3.4Å; T519-F521 VanDerWaalsContact C-N 3.3Å; T519-F521 PolarHBondContact O-N 3.23Å; F521-R523 PolarHBondContact O-N 3.43Å; F521-I524 PolarHBondContact O-N 3.24Å; F521-M525 HydrophobicContact CD1-CG 4.36Å; F521-M525 HydrophobicContact CE1-CG 4.18Å; F521-M525 HydrophobicContact CZ-CG 4.37Å; F521-M525 WeakPolarHBondContact O-CG 3.39Å; F521-M525 PolarHBondContact O-N 3.41Å; F521-F536 AromaticContact CE2-CE1 3.7Å; F521-F536 HydrophobicContact CE2-CE1 3.7Å; F521-F536 AromaticContact CE2-CZ 3.98Å; F521-F536 HydrophobicContact CE2-CZ 3.98Å; F521-F536 AromaticContact CZ-CE1 3.53Å; F521-F536 HydrophobicContact CZ-CE1 3.53Å; F521-F536 HydrophobicContact CZ-CZ 4.2Å; F521-L540 HydrophobicContact CE1-CD1 3.78Å; F521-L540 HydrophobicContact CE1-CD2 4.44Å; F521-L540 HydrophobicContact CZ-CD1 3.59Å; F521-L540 HydrophobicContact CZ-CD2 3.77Å; F521-L540 HydrophobicContact CZ-CG 4.23Å; F521-M559 HydrophobicContact CE2-CE 3.57Å; F521-M559 HydrophobicContact CZ-CE 3.81Å; F521-L563 HydrophobicContact CD2-CD2 3.66Å; F521-L563 HydrophobicContact CE2-CD2 4.3Å |
| 522 | E | 88.8 | Confident | 87.5 | Confident | 95 Ų | 95 | 52 Ų | 52 | 44% | 0.444 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -54.2 | -41.6 | 173.8 | -69.8 | 175 | 159.2 | 0 | 0 | 111.5 | C518 T519 M525 E526 | C518-E522 WeakPolarHBondContact O-CG 3.27Å; C518-E522 PolarHBondContact O-N 3.37Å; T519-E522 PolarHBondContact O-N 2.9Å; E522-M525 VanDerWaalsContact O-CB 3.3Å; E522-M525 WeakPolarHBondContact O-CB 3.49Å; E522-M525 PolarHBondContact O-N 3.25Å; E522-E526 WeakPolarHBondContact O-CG 3.44Å; E522-E526 PolarHBondContact O-N 3.33Å; E522-E526 VanDerWaalsContact O-N 3.1Å |
| 523 | R | 89.1 | Confident | 87.3 | Confident | 16 Ų | 16 | 53.9 Ų | 53.9 | 6% | 0.06 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -74.6 | -35.5 | 177.9 | -71.9 | 178.5 | -178.8 | 158.8 | -0.8 | 113.9 | T519 I520 F521 M525 E526 T527 P598 D599 L600 A602 P603 | T519-R523 WeakPolarHBondContact O-CG 3.44Å; T519-R523 PolarHBondContact O-N 3.33Å; I520-R523 PolarHBondContact O-N 3.1Å; F521-R523 PolarHBondContact O-N 3.43Å; R523-M525 PolarHBondContact O-N 3.09Å; R523-E526 WeakPolarHBondContact O-CB 3.28Å; R523-E526 PolarHBondContact O-N 2.89Å; R523-E526 VanDerWaalsContact O-N 3.1Å; R523-T527 WeakPolarHBondContact O-CG2 3.26Å; R523-T527 PolarHBondContact O-N 3.05Å; R523-P598 HydrophobicContact CB-CG 4.3Å; R523-P598 WeakPolarHBondContact O-CG 3.43Å; R523-D599 VanDerWaalsContact CD-O 3.25Å; R523-D599 WeakPolarHBondContact CD-O 3.38Å; R523-D599 PolarHBondContact NH1-O 2.84Å; R523-L600 HydrophobicContact CB-CD2 3.62Å; R523-L600 VanDerWaalsContact NH1-C 3.29Å; R523-L600 PolarHBondContact NH1-O 2.83Å; R523-A602 PolarHBondContact NH1-O 2.9Å; R523-A602 PolarHBondContact NH2-O 2.76Å; R523-P603 PolarHBondContact NH2-O 3.48Å |
| 524 | I | 89.5 | Confident | 87.2 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -57.6 | -41.3 | 168.7 | -70.3 | 167.3 | 0 | 0 | 0 | 109.1 | I520 F521 E526 T527 L563 Y566 L600 | I520-I524 HydrophobicContact CG2-CD1 3.98Å; I520-I524 WeakPolarHBondContact O-CG1 3.34Å; I520-I524 PolarHBondContact O-N 3.29Å; F521-I524 PolarHBondContact O-N 3.24Å; I524-E526 VanDerWaalsContact C-N 3.27Å; I524-E526 PolarHBondContact O-N 3.26Å; I524-T527 WeakPolarHBondContact O-CB 3.39Å; I524-T527 WeakPolarHBondContact O-CG2 3.31Å; I524-T527 PolarHBondContact O-N 3.3Å; I524-T527 VanDerWaalsContact O-N 3.1Å; I524-T527 PolarHBondContact O-OG1 3.23Å; I524-L563 HydrophobicContact CD1-CD2 3.81Å; I524-Y566 HydrophobicContact CG2-CD2 3.5Å; I524-Y566 HydrophobicContact CG2-CE2 3.82Å; I524-Y566 HydrophobicContact CG2-CG 3.92Å; I524-L600 HydrophobicContact CD1-CD1 4.42Å; I524-L600 HydrophobicContact CG1-CD1 3.97Å; I524-L600 HydrophobicContact CG1-CD2 3.88Å |
| 525 | M | 87.2 | Confident | 87 | Confident | 12 Ų | 12 | 61.8 Ų | 61.8 | 6% | 0.059 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65.5 | -26.5 | 176.8 | -70.2 | -61.9 | -71.8 | 0 | 0 | 114.1 | F521 E522 R523 T527 L528 K533 F536 D537 | F521-M525 HydrophobicContact CD1-CG 4.36Å; F521-M525 HydrophobicContact CE1-CG 4.18Å; F521-M525 HydrophobicContact CZ-CG 4.37Å; F521-M525 WeakPolarHBondContact O-CG 3.39Å; F521-M525 PolarHBondContact O-N 3.41Å; E522-M525 VanDerWaalsContact O-CB 3.3Å; E522-M525 WeakPolarHBondContact O-CB 3.49Å; E522-M525 PolarHBondContact O-N 3.25Å; R523-M525 PolarHBondContact O-N 3.09Å; M525-T527 VanDerWaalsContact C-N 3.32Å; M525-L528 HydrophobicContact CE-CD1 4.31Å; M525-L528 HydrophobicContact SD-CD1 3.7Å; M525-K533 HydrophobicContact CE-CG 3.98Å; M525-F536 HydrophobicContact CE-CB 4.1Å; M525-F536 HydrophobicContact CE-CD1 3.43Å; M525-F536 VanDerWaalsContact CE-CD1 3.43Å; M525-F536 HydrophobicContact CE-CE1 4.2Å; M525-F536 HydrophobicContact CE-CG 4.15Å; M525-F536 HydrophobicContact SD-CB 4.38Å; M525-F536 HydrophobicContact SD-CD1 3.09Å; M525-F536 WeakPolarHBondContact SD-CD1 3.32Å; M525-F536 HydrophobicContact SD-CE1 3.32Å; M525-F536 WeakPolarHBondContact SD-CE1 3.09Å; M525-F536 HydrophobicContact SD-CG 3.9Å; M525-F536 HydrophobicContact SD-CZ 4.36Å; M525-D537 VanDerWaalsContact CE-OD1 3.23Å; M525-D537 WeakPolarHBondContact CE-OD1 3.3Å |
| 526 | E | 86 | Confident | 86.8 | Confident | 107 Ų | 107 | 56 Ų | 56 | 50% | 0.5 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -74.8 | -20.5 | 173.6 | -70.7 | 169.1 | 176.9 | 0 | 0 | 113.1 | E522 R523 I524 L528 P598 | E522-E526 WeakPolarHBondContact O-CG 3.44Å; E522-E526 PolarHBondContact O-N 3.33Å; E522-E526 VanDerWaalsContact O-N 3.1Å; R523-E526 WeakPolarHBondContact O-CB 3.28Å; R523-E526 PolarHBondContact O-N 2.89Å; R523-E526 VanDerWaalsContact O-N 3.1Å; I524-E526 VanDerWaalsContact C-N 3.27Å; I524-E526 PolarHBondContact O-N 3.26Å; E526-L528 VanDerWaalsContact C-N 3.27Å; E526-L528 PolarHBondContact O-N 3.1Å; E526-P598 HydrophobicContact CB-CG 4.1Å |
| 527 | T | 83.6 | Confident | 86.8 | Confident | 8 Ų | 8 | 58.9 Ų | 58.9 | 5% | 0.049 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -69.6 | -29.3 | 175.2 | 73 | 0 | 0 | 0 | 0 | 112.3 | R523 I524 M525 R583 M597 P598 | R523-T527 WeakPolarHBondContact O-CG2 3.26Å; R523-T527 PolarHBondContact O-N 3.05Å; I524-T527 WeakPolarHBondContact O-CB 3.39Å; I524-T527 WeakPolarHBondContact O-CG2 3.31Å; I524-T527 PolarHBondContact O-N 3.3Å; I524-T527 VanDerWaalsContact O-N 3.1Å; I524-T527 PolarHBondContact O-OG1 3.23Å; M525-T527 VanDerWaalsContact C-N 3.32Å; T527-R583 PolarHBondContact O-NH1 2.86Å; T527-M597 HydrophobicContact CG2-CB 3.95Å; T527-M597 HydrophobicContact CG2-CE 3.41Å; T527-M597 VanDerWaalsContact CG2-CE 3.41Å; T527-M597 HydrophobicContact CG2-CG 3.69Å; T527-M597 HydrophobicContact CG2-SD 4.38Å; T527-P598 HydrophobicContact CG2-CG 4.08Å |
| 528 | L | 84.4 | Confident | 86.6 | Confident | 20 Ų | 20 | 58.6 Ų | 58.6 | 11% | 0.105 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -72.8 | 144.5 | -171.8 | -58.7 | -177.5 | 0 | 0 | 0 | 110.3 | M525 E526 E532 K533 F536 Y566 | M525-L528 HydrophobicContact CE-CD1 4.31Å; M525-L528 HydrophobicContact SD-CD1 3.7Å; E526-L528 VanDerWaalsContact C-N 3.27Å; E526-L528 PolarHBondContact O-N 3.1Å; L528-E532 HydrophobicContact CB-CB 3.92Å; L528-E532 HydrophobicContact CD2-CB 4.42Å; L528-K533 HydrophobicContact CB-CB 4.29Å; L528-F536 HydrophobicContact CD1-CB 4.14Å; L528-F536 HydrophobicContact CD1-CG 4.27Å; L528-Y566 VanDerWaalsContact CD2-OH 3.29Å; L528-Y566 WeakPolarHBondContact CD2-OH 3.16Å |
| 529 | T | 84.4 | Confident | 86.1 | Confident | 51 Ų | 51 | 59.2 Ų | 59.2 | 31% | 0.313 | 31% | 0.306 | S | S | . | . | trans | -61.4 | 160 | 166.4 | 60.4 | 0 | 0 | 0 | 0 | 110.7 | E531 E532 K533 R583 | T529-E531 PolarHBondContact O-N 2.56Å; T529-E532 WeakPolarHBondContact CB-OE2 3.27Å; T529-E532 WeakPolarHBondContact CG2-OE2 3.48Å; T529-E532 PolarHBondContact N-OE2 3.3Å; T529-E532 PolarHBondContact O-N 3.08Å; T529-E532 VanDerWaalsContact O-N 3.13Å; T529-E532 WeakPolarHBondContact OG1-CB 3.29Å; T529-E532 WeakPolarHBondContact OG1-CG 3.34Å; T529-E532 PolarHBondContact OG1-N 3.38Å; T529-E532 PolarHBondContact OG1-OE2 3.37Å; T529-K533 VanDerWaalsContact O-CB 3.3Å; T529-K533 WeakPolarHBondContact O-CB 3.46Å; T529-K533 PolarHBondContact O-N 3.48Å; T529-R583 VanDerWaalsContact CG2-NH2 3.29Å | ||
| 530 | D | 85.7 | Confident | 85.9 | Confident | 145 Ų | 145 | 58 Ų | 58 | 78% | 0.775 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -56.9 | -36.1 | 178.7 | -70.2 | -35.2 | 0 | 0 | 0 | 112.8 | A534 | D530-A534 WeakPolarHBondContact O-CB 2.97Å; D530-A534 PolarHBondContact O-N 2.78Å |
| 531 | E | 85.6 | Confident | 85.5 | Confident | 168 Ų | 168 | 66.2 Ų | 66.2 | 79% | 0.785 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -67.7 | -46.4 | 176.4 | -65.8 | -172.8 | 176.4 | 0 | 0 | 112 | T529 K533 A534 L535 | T529-E531 PolarHBondContact O-N 2.56Å; E531-K533 VanDerWaalsContact C-N 3.34Å; E531-A534 PolarHBondContact O-N 3.39Å; E531-L535 PolarHBondContact O-N 3.36Å |
| 532 | E | 84.9 | Confident | 85.1 | Confident | 88 Ų | 88 | 71.9 Ų | 71.9 | 41% | 0.411 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.6 | -41.8 | 176.4 | -72.7 | 166.4 | 144.6 | 0 | 0 | 111.3 | L528 T529 L535 F536 | L528-E532 HydrophobicContact CB-CB 3.92Å; L528-E532 HydrophobicContact CD2-CB 4.42Å; T529-E532 WeakPolarHBondContact CB-OE2 3.27Å; T529-E532 WeakPolarHBondContact CG2-OE2 3.48Å; T529-E532 PolarHBondContact N-OE2 3.3Å; T529-E532 PolarHBondContact O-N 3.08Å; T529-E532 VanDerWaalsContact O-N 3.13Å; T529-E532 WeakPolarHBondContact OG1-CB 3.29Å; T529-E532 WeakPolarHBondContact OG1-CG 3.34Å; T529-E532 PolarHBondContact OG1-N 3.38Å; T529-E532 PolarHBondContact OG1-OE2 3.37Å; E532-L535 WeakPolarHBondContact O-CB 3.09Å; E532-L535 PolarHBondContact O-N 2.85Å; E532-F536 VanDerWaalsContact O-CB 3.26Å; E532-F536 WeakPolarHBondContact O-CB 3.42Å; E532-F536 PolarHBondContact O-N 2.78Å |
| 533 | K | 86.9 | Confident | 84.9 | Confident | 73 Ų | 73 | 68.4 Ų | 68.4 | 32% | 0.317 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62 | -46.5 | 177.2 | -173.3 | 170 | -175.5 | 168.8 | 0 | 111.2 | M525 L528 T529 E531 L535 F536 D537 | M525-K533 HydrophobicContact CE-CG 3.98Å; L528-K533 HydrophobicContact CB-CB 4.29Å; T529-K533 VanDerWaalsContact O-CB 3.3Å; T529-K533 WeakPolarHBondContact O-CB 3.46Å; T529-K533 PolarHBondContact O-N 3.48Å; E531-K533 VanDerWaalsContact C-N 3.34Å; K533-L535 VanDerWaalsContact C-N 3.32Å; K533-L535 PolarHBondContact O-N 2.85Å; K533-F536 PolarHBondContact O-N 2.94Å; K533-D537 WeakPolarHBondContact O-CB 3.23Å; K533-D537 PolarHBondContact O-N 3Å |
| 534 | A | 86.9 | Confident | 84.8 | Confident | 61 Ų | 61 | 68.6 Ų | 68.6 | 50% | 0.504 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.8 | -40.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | D530 E531 N538 | D530-A534 WeakPolarHBondContact O-CB 2.97Å; D530-A534 PolarHBondContact O-N 2.78Å; E531-A534 PolarHBondContact O-N 3.39Å; A534-N538 WeakPolarHBondContact O-CB 3.33Å; A534-N538 PolarHBondContact O-N 2.96Å; A534-N538 VanDerWaalsContact O-N 3.14Å |
| 535 | L | 83.3 | Confident | 84.9 | Confident | 124 Ų | 124 | 70.9 Ų | 70.9 | 65% | 0.649 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -62.7 | -44.7 | 174.7 | 179.9 | 67.6 | 0 | 0 | 0 | 111.1 | E531 E532 K533 R539 | E531-L535 PolarHBondContact O-N 3.36Å; E532-L535 WeakPolarHBondContact O-CB 3.09Å; E532-L535 PolarHBondContact O-N 2.85Å; K533-L535 VanDerWaalsContact C-N 3.32Å; K533-L535 PolarHBondContact O-N 2.85Å; L535-R539 WeakPolarHBondContact O-CB 3.49Å; L535-R539 PolarHBondContact O-N 3.49Å |
| 536 | F | 83.2 | Confident | 85 | Confident | 14 Ų | 14 | 70.3 Ų | 70.3 | 6% | 0.061 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -72.9 | -39.2 | -176.7 | -162.9 | -88.9 | 0 | 0 | 0 | 112.5 | F521 M525 L528 E532 K533 N538 R539 L540 M559 L562 | F521-F536 AromaticContact CE2-CE1 3.7Å; F521-F536 HydrophobicContact CE2-CE1 3.7Å; F521-F536 AromaticContact CE2-CZ 3.98Å; F521-F536 HydrophobicContact CE2-CZ 3.98Å; F521-F536 AromaticContact CZ-CE1 3.53Å; F521-F536 HydrophobicContact CZ-CE1 3.53Å; F521-F536 HydrophobicContact CZ-CZ 4.2Å; M525-F536 HydrophobicContact CE-CB 4.1Å; M525-F536 HydrophobicContact CE-CD1 3.43Å; M525-F536 VanDerWaalsContact CE-CD1 3.43Å; M525-F536 HydrophobicContact CE-CE1 4.2Å; M525-F536 HydrophobicContact CE-CG 4.15Å; M525-F536 HydrophobicContact SD-CB 4.38Å; M525-F536 HydrophobicContact SD-CD1 3.09Å; M525-F536 WeakPolarHBondContact SD-CD1 3.32Å; M525-F536 HydrophobicContact SD-CE1 3.32Å; M525-F536 WeakPolarHBondContact SD-CE1 3.09Å; M525-F536 HydrophobicContact SD-CG 3.9Å; M525-F536 HydrophobicContact SD-CZ 4.36Å; L528-F536 HydrophobicContact CD1-CB 4.14Å; L528-F536 HydrophobicContact CD1-CG 4.27Å; E532-F536 VanDerWaalsContact O-CB 3.26Å; E532-F536 WeakPolarHBondContact O-CB 3.42Å; E532-F536 PolarHBondContact O-N 2.78Å; K533-F536 PolarHBondContact O-N 2.94Å; F536-N538 PolarHBondContact O-N 3.16Å; F536-R539 CarbonylContact O-C 3.59Å; F536-R539 WeakPolarHBondContact O-CA 3.3Å; F536-R539 VanDerWaalsContact O-CB 3.26Å; F536-R539 WeakPolarHBondContact O-CB 3.4Å; F536-R539 PolarHBondContact O-N 2.98Å; F536-L540 HydrophobicContact CD1-CD1 3.67Å; F536-L540 HydrophobicContact CD1-CG 3.9Å; F536-L540 HydrophobicContact CE1-CD1 3.68Å; F536-L540 HydrophobicContact CE1-CD2 4.13Å; F536-L540 HydrophobicContact CE1-CG 3.82Å; F536-L540 PolarHBondContact O-N 2.97Å; F536-M559 HydrophobicContact CE1-CE 4.09Å; F536-M559 HydrophobicContact CE1-SD 4.43Å; F536-M559 HydrophobicContact CE2-SD 4.14Å; F536-M559 HydrophobicContact CZ-CE 3.57Å; F536-M559 HydrophobicContact CZ-SD 3.67Å; F536-L562 HydrophobicContact CD2-CD1 4.33Å; F536-L562 HydrophobicContact CE2-CD1 3.62Å; F536-L562 HydrophobicContact CE2-CD2 3.67Å; F536-L562 HydrophobicContact CE2-CG 4.23Å; F536-L562 HydrophobicContact CZ-CD1 4.47Å; F536-L562 HydrophobicContact CZ-CD2 3.68Å |
| 537 | D | 85.2 | Confident | 85.3 | Confident | 62 Ų | 62 | 65.2 Ų | 65.2 | 33% | 0.332 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.3 | -43.9 | 173.1 | -80.9 | -13 | 0 | 0 | 0 | 111.6 | M525 K533 R539 L540 K541 | M525-D537 VanDerWaalsContact CE-OD1 3.23Å; M525-D537 WeakPolarHBondContact CE-OD1 3.3Å; K533-D537 WeakPolarHBondContact O-CB 3.23Å; K533-D537 PolarHBondContact O-N 3Å; D537-R539 PolarHBondContact O-N 3.25Å; D537-L540 PolarHBondContact O-N 3.28Å; D537-K541 VanDerWaalsContact O-CG 3.32Å; D537-K541 WeakPolarHBondContact O-CG 3.45Å; D537-K541 PolarHBondContact O-N 2.95Å |
| 538 | N | 84.4 | Confident | 85.9 | Confident | 104 Ų | 104 | 64.8 Ų | 64.8 | 56% | 0.556 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -61.6 | -37.6 | 173.7 | -174 | 18.4 | 0 | 0 | 0 | 111 | A534 F536 K542 | A534-N538 WeakPolarHBondContact O-CB 3.33Å; A534-N538 PolarHBondContact O-N 2.96Å; A534-N538 VanDerWaalsContact O-N 3.14Å; F536-N538 PolarHBondContact O-N 3.16Å; N538-K542 PolarHBondContact O-N 3.36Å |
| 539 | R | 80.4 | Confident | 86.3 | Confident | 28 Ų | 28 | 63.9 Ų | 63.9 | 11% | 0.106 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -66.4 | -46.8 | 176.6 | -168.1 | -176.2 | -178.5 | -169.9 | -5.1 | 112.3 | L535 F536 D537 K541 K542 Y543 R556 P557 | L535-R539 WeakPolarHBondContact O-CB 3.49Å; L535-R539 PolarHBondContact O-N 3.49Å; F536-R539 CarbonylContact O-C 3.59Å; F536-R539 WeakPolarHBondContact O-CA 3.3Å; F536-R539 VanDerWaalsContact O-CB 3.26Å; F536-R539 WeakPolarHBondContact O-CB 3.4Å; F536-R539 PolarHBondContact O-N 2.98Å; D537-R539 PolarHBondContact O-N 3.25Å; R539-K541 VanDerWaalsContact C-N 3.3Å; R539-K541 PolarHBondContact O-N 3.24Å; R539-K542 PolarHBondContact O-N 2.85Å; R539-K542 VanDerWaalsContact O-N 3.1Å; R539-Y543 HydrophobicContact CG-CD2 3.91Å; R539-Y543 PolarHBondContact O-N 3.07Å; R539-R556 PolarHBondContact NH2-O 3.02Å; R539-R556 VanDerWaalsContact NH2-O 3.15Å; R539-P557 PolarHBondContact NH1-O 2.84Å; R539-P557 VanDerWaalsContact NH2-C 3.28Å; R539-P557 PolarHBondContact NH2-O 3.2Å |
| 540 | L | 83.5 | Confident | 86.8 | Confident | 27 Ų | 27 | 61.4 Ų | 61.4 | 14% | 0.141 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.2 | -43.8 | 176.5 | -74.3 | 169.4 | 0 | 0 | 0 | 111.2 | F521 F536 D537 K542 S544 M559 | F521-L540 HydrophobicContact CE1-CD1 3.78Å; F521-L540 HydrophobicContact CE1-CD2 4.44Å; F521-L540 HydrophobicContact CZ-CD1 3.59Å; F521-L540 HydrophobicContact CZ-CD2 3.77Å; F521-L540 HydrophobicContact CZ-CG 4.23Å; F536-L540 HydrophobicContact CD1-CD1 3.67Å; F536-L540 HydrophobicContact CD1-CG 3.9Å; F536-L540 HydrophobicContact CE1-CD1 3.68Å; F536-L540 HydrophobicContact CE1-CD2 4.13Å; F536-L540 HydrophobicContact CE1-CG 3.82Å; F536-L540 PolarHBondContact O-N 2.97Å; D537-L540 PolarHBondContact O-N 3.28Å; L540-K542 PolarHBondContact O-N 3.41Å; L540-S544 WeakPolarHBondContact O-CA 3.38Å; L540-S544 WeakPolarHBondContact O-CB 3.44Å; L540-S544 PolarHBondContact O-N 2.84Å; L540-S544 PolarHBondContact O-OG 2.95Å; L540-M559 HydrophobicContact CD2-CE 3.66Å; L540-M559 HydrophobicContact CD2-SD 4.03Å |
| 541 | K | 82.9 | Confident | 86.6 | Confident | 176 Ų | 176 | 55 Ų | 55 | 77% | 0.765 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -58.1 | -34.1 | 176.4 | -74.8 | 173.5 | -176.8 | 174.9 | 0 | 112.8 | D537 R539 | D537-K541 VanDerWaalsContact O-CG 3.32Å; D537-K541 WeakPolarHBondContact O-CG 3.45Å; D537-K541 PolarHBondContact O-N 2.95Å; R539-K541 VanDerWaalsContact C-N 3.3Å; R539-K541 PolarHBondContact O-N 3.24Å |
| 542 | K | 81.8 | Confident | 85.9 | Confident | 130 Ų | 130 | 47.8 Ų | 47.8 | 57% | 0.565 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -95.8 | -32.5 | -174.8 | -169.7 | 171.2 | 178.4 | -168.8 | 0 | 114.5 | N538 R539 L540 | N538-K542 PolarHBondContact O-N 3.36Å; R539-K542 PolarHBondContact O-N 2.85Å; R539-K542 VanDerWaalsContact O-N 3.1Å; L540-K542 PolarHBondContact O-N 3.41Å |
| 543 | Y | 84.2 | Confident | 84.8 | Confident | 22 Ų | 22 | 49.5 Ų | 49.5 | 9% | 0.086 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -137.3 | 27.2 | -168.2 | -49.5 | -75.9 | 0 | 0 | 0 | 112.5 | R539 R545 E546 R556 | R539-Y543 HydrophobicContact CG-CD2 3.91Å; R539-Y543 PolarHBondContact O-N 3.07Å; Y543-R545 PolarHBondContact O-N 3.49Å; Y543-E546 WeakPolarHBondContact O-CB 3.37Å; Y543-E546 PolarHBondContact O-N 2.89Å; Y543-R556 PolarHBondContact OH-NH1 3.48Å; Y543-R556 PolarHBondContact OH-NH2 3.14Å |
| 544 | S | 86.1 | Confident | 83.4 | Confident | 21 Ų | 21 | 51.7 Ų | 51.7 | 15% | 0.147 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -30.1 | 177.8 | 50.2 | 0 | 0 | 0 | 0 | 114 | W513 P514 W516 L540 | W513-S544 PolarHBondContact NE1-O 2.94Å; P514-S544 WeakPolarHBondContact O-CB 3.31Å; W516-S544 PolarHBondContact NE1-O 2.77Å; L540-S544 WeakPolarHBondContact O-CA 3.38Å; L540-S544 WeakPolarHBondContact O-CB 3.44Å; L540-S544 PolarHBondContact O-N 2.84Å; L540-S544 PolarHBondContact O-OG 2.95Å |
| 545 | R | 91.6 | Very high | 82.2 | Confident | 47 Ų | 47 | 53 Ų | 53 | 18% | 0.177 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -11.5 | 179.5 | -76.2 | 158.1 | 169.8 | 108.2 | 1 | 114.3 | Y35 E115 D278 Y279 S280 W513 P514 Y543 R547 | Y35-R545 HydrophobicContact CE1-CB 4.26Å; Y35-R545 WeakPolarHBondContact OH-CD 3.17Å; Y35-R545 PolarHBondContact OH-NH1 3.46Å; E115-R545 IonicContact OE1-NE 3.02Å; E115-R545 PolarHBondContact OE1-NE 3.42Å; E115-R545 IonicContact OE1-NH2 3.94Å; E115-R545 IonicContact OE2-CZ 2.83Å; E115-R545 IonicContact OE2-NE 3.21Å; E115-R545 IonicContact OE2-NH2 2.81Å; E115-R545 PolarHBondContact OE2-NH2 3.39Å; D278-R545 CarbonylContact O-C 3.56Å; D278-R545 VanDerWaalsContact O-C 3.26Å; D278-R545 WeakPolarHBondContact O-CB 3.44Å; Y279-R545 HydrophobicContact CD2-CB 3.87Å; Y279-R545 HydrophobicContact CD2-CG 4.02Å; Y279-R545 HydrophobicContact CE2-CB 4.28Å; Y279-R545 VanDerWaalsContact CE2-CD 3.43Å; Y279-R545 HydrophobicContact CE2-CG 3.93Å; Y279-R545 HydrophobicContact CG-CB 4.37Å; S280-R545 PolarHBondContact N-O 3.27Å; W513-R545 HydrophobicContact CH2-CG 4.12Å; W513-R545 HydrophobicContact CZ2-CB 3.78Å; W513-R545 HydrophobicContact CZ2-CG 3.65Å; P514-R545 HydrophobicContact CB-CG 3.46Å; P514-R545 VanDerWaalsContact CB-CG 3.46Å; P514-R545 HydrophobicContact CG-CG 4.04Å; Y543-R545 PolarHBondContact O-N 3.49Å; R545-R547 PolarHBondContact O-N 3.11Å |
| 546 | E | 90.7 | Very high | 81.8 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 23% | 0.234 | C | C | . | . | trans | -80 | 85.4 | 172.6 | -170.2 | -162 | 157.1 | 0 | 0 | 109.1 | D278 Y543 H551 | D278-E546 PolarHBondContact O-N 2.84Å; Y543-E546 WeakPolarHBondContact O-CB 3.37Å; Y543-E546 PolarHBondContact O-N 2.89Å; E546-H551 IonicContact OE1-CD2 3.13Å; E546-H551 IonicContact OE1-CG 3.12Å | ||
| 547 | R | 92.7 | Very high | 81.6 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | trans | -92.4 | -49.3 | -173 | 179.7 | 172.5 | 172.4 | 169.7 | 10.5 | 113.2 | S280 P281 V286 F510 W516 R545 M559 I560 | S280-R547 WeakPolarHBondContact O-CB 3.3Å; S280-R547 PolarHBondContact OG-N 2.95Å; P281-R547 VanDerWaalsContact O-CD 3.31Å; P281-R547 WeakPolarHBondContact O-CD 3.49Å; V286-R547 VanDerWaalsContact CG2-CZ 3.48Å; V286-R547 VanDerWaalsContact CG2-NH2 3.34Å; F510-R547 PolarHBondContact O-NH1 3.48Å; F510-R547 PolarHBondContact O-NH2 2.8Å; W516-R547 HydrophobicContact CH2-CG 3.69Å; W516-R547 HydrophobicContact CZ2-CB 4.15Å; W516-R547 HydrophobicContact CZ2-CG 3.79Å; R545-R547 PolarHBondContact O-N 3.11Å; R547-M559 PolarHBondContact O-N 3.33Å; R547-I560 WeakPolarHBondContact O-CB 3.39Å; R547-I560 VanDerWaalsContact O-CG2 3.23Å; R547-I560 WeakPolarHBondContact O-CG2 3.26Å; R547-I560 PolarHBondContact O-N 3.3Å | ||
| 548 | T | 94.7 | Very high | 81.8 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -122.5 | -8 | -164.9 | 57 | 0 | 0 | 0 | 0 | 114.8 | D271 S272 S280 V286 I560 | D271-T548 WeakPolarHBondContact CA-O 3.43Å; D271-T548 VanDerWaalsContact CB-O 3.3Å; D271-T548 WeakPolarHBondContact CB-O 3.47Å; S272-T548 WeakPolarHBondContact CB-OG1 3.44Å; S272-T548 PolarHBondContact N-O 3.36Å; S272-T548 PolarHBondContact OG-OG1 3.09Å; S280-T548 PolarHBondContact O-N 3.37Å; S280-T548 VanDerWaalsContact O-N 3.17Å; S280-T548 PolarHBondContact O-OG1 3.1Å; V286-T548 HydrophobicContact CG2-CG2 4.3Å; T548-I560 HydrophobicContact CG2-CB 4.31Å; T548-I560 HydrophobicContact CG2-CG2 4.17Å |
| 549 | Y | 94.1 | Very high | 81.9 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | trans | -66.7 | 143.3 | -177.4 | 179.9 | -107.6 | 0 | 0 | 0 | 112.8 | N277 S280 F327 H551 S558 E644 | N277-Y549 HydrophobicContact CB-CD1 3.83Å; N277-Y549 HydrophobicContact CB-CD2 4.37Å; N277-Y549 HydrophobicContact CB-CE1 3.66Å; N277-Y549 HydrophobicContact CB-CE2 4.23Å; N277-Y549 HydrophobicContact CB-CG 4.19Å; N277-Y549 PolarHBondContact ND2-OH 3.2Å; S280-Y549 WeakPolarHBondContact OG-CB 3.29Å; S280-Y549 PolarHBondContact OG-N 3.21Å; F327-Y549 HydrophobicContact CE2-CD2 4.03Å; F327-Y549 AromaticContact CE2-CE2 3.71Å; F327-Y549 HydrophobicContact CE2-CE2 3.71Å; F327-Y549 HydrophobicContact CZ-CD2 4.27Å; F327-Y549 AromaticContact CZ-CE2 3.65Å; F327-Y549 HydrophobicContact CZ-CE2 3.65Å; Y549-H551 HydrophobicContact CD1-CB 4.17Å; Y549-H551 HydrophobicContact CE1-CB 4.17Å; Y549-S558 WeakPolarHBondContact O-CB 3.34Å; Y549-E644 PolarHBondContact OH-OE2 2.77Å | ||
| 550 | I | 93.1 | Very high | 82.5 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | trans | -87.8 | 121.1 | 171.5 | -177.6 | 162.2 | 0 | 0 | 0 | 109.6 | L240 E242 H323 F327 I330 | L240-I550 HydrophobicContact CB-CG1 4.32Å; L240-I550 HydrophobicContact CB-CG2 4.31Å; L240-I550 HydrophobicContact CD1-CG2 4.1Å; E242-I550 HydrophobicContact CB-CD1 4.02Å; E242-I550 HydrophobicContact CB-CG1 4.02Å; H323-I550 WeakPolarHBondContact ND1-CB 3.39Å; F327-I550 HydrophobicContact CD2-CG2 3.4Å; F327-I550 VanDerWaalsContact CD2-CG2 3.4Å; F327-I550 HydrophobicContact CE2-CG2 3.79Å; F327-I550 HydrophobicContact CG-CG2 4.34Å; I330-I550 HydrophobicContact CD1-CD1 4.31Å; I330-I550 HydrophobicContact CG2-CD1 4.34Å | ||
| 551 | H | 81.7 | Confident | 82.9 | Confident | 9 Ų | 9 | 41.9 Ų | 41.9 | 4% | 0.042 | 19% | 0.187 | C | C | . | . | trans | -110.2 | 177.1 | -170.1 | -157.5 | 5.2 | 0 | 0 | 0 | 113.5 | E241 E546 Y549 R553 E644 | E241-H551 PolarHBondContact N-O 3.43Å; E241-H551 VanDerWaalsContact N-O 3.14Å; E546-H551 IonicContact OE1-CD2 3.13Å; E546-H551 IonicContact OE1-CG 3.12Å; Y549-H551 HydrophobicContact CD1-CB 4.17Å; Y549-H551 HydrophobicContact CE1-CB 4.17Å; H551-R553 VanDerWaalsContact C-N 3.29Å; H551-R553 PolarHBondContact O-N 2.8Å; H551-E644 IonicContact CE1-OE1 2.97Å; H551-E644 IonicContact CE1-OE2 3.3Å; H551-E644 IonicContact ND1-OE1 3.68Å; H551-E644 IonicContact ND1-OE2 2.77Å; H551-E644 PolarHBondContact ND1-OE2 3.23Å | ||
| 552 | L | 71.5 | Confident | 83.3 | Confident | 17 Ų | 17 | 34.5 Ų | 34.5 | 9% | 0.089 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -69.4 | -15.5 | -171.7 | -77.2 | 160.5 | 0 | 0 | 0 | 115.2 | L238 E644 | L238-L552 HydrophobicContact CB-CD2 3.47Å; L238-L552 VanDerWaalsContact CB-CD2 3.47Å; L238-L552 HydrophobicContact CD1-CB 4.32Å; L238-L552 HydrophobicContact CD1-CD2 4.31Å; L238-L552 HydrophobicContact CG-CD2 4.17Å; L238-L552 VanDerWaalsContact O-CD2 3.31Å; L238-L552 WeakPolarHBondContact O-CD2 3.28Å; L552-E644 HydrophobicContact CD1-CB 4.16Å; L552-E644 HydrophobicContact CD1-CG 3.71Å; L552-E644 HydrophobicContact CD2-CB 3.49Å; L552-E644 VanDerWaalsContact CD2-CB 3.49Å; L552-E644 HydrophobicContact CD2-CG 3.99Å; L552-E644 VanDerWaalsContact CD2-O 3.3Å; L552-E644 WeakPolarHBondContact CD2-O 3.28Å; L552-E644 HydrophobicContact CG-CB 3.72Å; L552-E644 HydrophobicContact CG-CG 3.8Å; L552-E644 VanDerWaalsContact CG-OE2 3.31Å; L552-E644 WeakPolarHBondContact CG-OE2 3.38Å |
| 553 | R | 63 | Low | 83.7 | Confident | 125 Ų | 125 | 28.3 Ų | 28.3 | 47% | 0.472 | 13% | 0.129 | S | C | . | . | trans | -144.9 | 130.1 | -165.7 | -72.5 | -173.9 | 177.1 | 179.1 | -1.2 | 111.5 | L238 H551 S555 R556 | L238-R553 HydrophobicContact CD1-CG 4.43Å; H551-R553 VanDerWaalsContact C-N 3.29Å; H551-R553 PolarHBondContact O-N 2.8Å; R553-S555 PolarHBondContact O-N 3.37Å; R553-R556 PolarHBondContact O-N 3.06Å | ||
| 554 | R | 57.4 | Low | 84.3 | Confident | 119 Ų | 119 | 27.3 Ų | 27.3 | 45% | 0.449 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.8 | -26.6 | 165.4 | -67 | -174.6 | -175.1 | -174 | -0 | 113.9 | R556 | R554-R556 PolarHBondContact O-N 3.4Š|
| 555 | S | 61.5 | Low | 84.7 | Confident | 88 Ų | 88 | 26.4 Ų | 26.4 | 62% | 0.615 | 12% | 0.118 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -2.8 | 177.6 | 62.5 | 0 | 0 | 0 | 0 | 114.9 | R553 | R553-S555 PolarHBondContact O-N 3.37Š|
| 556 | R | 73.3 | Confident | 84.8 | Confident | 80 Ų | 80 | 26.5 Ų | 26.5 | 30% | 0.302 | 12% | 0.119 | S | C | . | . | S | Bend | trans | -129.5 | 69.9 | 174.8 | -67 | -171.8 | -178.4 | 175.3 | 0.4 | 110.7 | R539 Y543 R553 R554 | R539-R556 PolarHBondContact NH2-O 3.02Å; R539-R556 VanDerWaalsContact NH2-O 3.15Å; Y543-R556 PolarHBondContact OH-NH1 3.48Å; Y543-R556 PolarHBondContact OH-NH2 3.14Å; R553-R556 PolarHBondContact O-N 3.06Å; R554-R556 PolarHBondContact O-N 3.4Å |
| 557 | P | 80.3 | Confident | 85 | Confident | 14 Ų | 14 | 26.6 Ų | 26.6 | 9% | 0.091 | 12% | 0.12 | C | C | . | . | trans | -71.6 | 135.3 | -177.7 | 28.2 | -36.8 | 0 | 0 | 0 | 113.7 | E242 R539 R561 L562 | E242-P557 WeakPolarHBondContact OE1-CA 3.46Å; E242-P557 WeakPolarHBondContact OE1-CB 3.45Å; R539-P557 PolarHBondContact NH1-O 2.84Å; R539-P557 VanDerWaalsContact NH2-C 3.28Å; R539-P557 PolarHBondContact NH2-O 3.2Å; P557-R561 VanDerWaalsContact CB-CZ 3.46Å; P557-L562 HydrophobicContact CG-CD1 4.16Å | ||
| 558 | S | 88.2 | Confident | 85.2 | Confident | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.007 | 12% | 0.12 | C | C | . | . | trans | -51.5 | 145.2 | 179.6 | 68.2 | 0 | 0 | 0 | 0 | 112.3 | E242 H323 Y549 I560 R561 L562 | E242-S558 PolarHBondContact OE1-N 2.63Å; H323-S558 PolarHBondContact NE2-OG 3.04Å; Y549-S558 WeakPolarHBondContact O-CB 3.34Å; S558-I560 PolarHBondContact O-N 3.3Å; S558-I560 WeakPolarHBondContact OG-CG2 3.34Å; S558-R561 PolarHBondContact O-N 3.3Å; S558-R561 VanDerWaalsContact O-N 3.08Å; S558-R561 VanDerWaalsContact OG-CB 3.32Å; S558-R561 WeakPolarHBondContact OG-CB 3.46Å; S558-R561 PolarHBondContact OG-N 3.2Å; S558-L562 PolarHBondContact O-N 3.42Å; S558-L562 VanDerWaalsContact O-N 3.08Å | ||
| 559 | M | 88.3 | Confident | 85.2 | Confident | 3 Ų | 3 | 27.6 Ų | 27.6 | 2% | 0.015 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -59.1 | -37.6 | -178.6 | -71.5 | -61.5 | -59.5 | 0 | 0 | 112.2 | W516 F521 F536 L540 R547 R561 L562 L563 | W516-M559 HydrophobicContact CD2-CE 4.29Å; W516-M559 HydrophobicContact CG-CE 4.45Å; W516-M559 HydrophobicContact CH2-CB 4.08Å; W516-M559 HydrophobicContact CZ2-CB 3.6Å; W516-M559 HydrophobicContact CZ2-CG 4.14Å; F521-M559 HydrophobicContact CE2-CE 3.57Å; F521-M559 HydrophobicContact CZ-CE 3.81Å; F536-M559 HydrophobicContact CE1-CE 4.09Å; F536-M559 HydrophobicContact CE1-SD 4.43Å; F536-M559 HydrophobicContact CE2-SD 4.14Å; F536-M559 HydrophobicContact CZ-CE 3.57Å; F536-M559 HydrophobicContact CZ-SD 3.67Å; L540-M559 HydrophobicContact CD2-CE 3.66Å; L540-M559 HydrophobicContact CD2-SD 4.03Å; R547-M559 PolarHBondContact O-N 3.33Å; M559-R561 VanDerWaalsContact C-N 3.34Å; M559-R561 PolarHBondContact O-N 2.74Å; M559-L562 PolarHBondContact O-N 2.8Å; M559-L563 WeakPolarHBondContact O-CB 3.39Å; M559-L563 WeakPolarHBondContact O-CG 3.36Å; M559-L563 PolarHBondContact O-N 3.13Å |
| 560 | I | 92.3 | Very high | 85.3 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -60.9 | -42.7 | 176.3 | -169.9 | 57.2 | 0 | 0 | 0 | 111.7 | M270 V286 V289 F510 R547 T548 S558 A564 | M270-I560 HydrophobicContact CB-CG1 4.2Å; M270-I560 HydrophobicContact CB-CG2 4.36Å; V286-I560 HydrophobicContact CG2-CD1 4.26Å; V289-I560 HydrophobicContact CG1-CD1 4.13Å; F510-I560 HydrophobicContact CD1-CD1 4.23Å; F510-I560 HydrophobicContact CE1-CD1 3.39Å; F510-I560 HydrophobicContact CZ-CD1 3.79Å; R547-I560 WeakPolarHBondContact O-CB 3.39Å; R547-I560 VanDerWaalsContact O-CG2 3.23Å; R547-I560 WeakPolarHBondContact O-CG2 3.26Å; R547-I560 PolarHBondContact O-N 3.3Å; T548-I560 HydrophobicContact CG2-CB 4.31Å; T548-I560 HydrophobicContact CG2-CG2 4.17Å; S558-I560 PolarHBondContact O-N 3.3Å; S558-I560 WeakPolarHBondContact OG-CG2 3.34Å; I560-A564 WeakPolarHBondContact O-CB 3.06Å; I560-A564 PolarHBondContact O-N 2.99Å |
| 561 | R | 92.7 | Very high | 85.4 | Confident | 28 Ų | 28 | 28.4 Ų | 28.4 | 11% | 0.106 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -65.2 | -49.9 | 179 | -173 | -160.9 | 64 | 76.7 | -18.3 | 110 | E242 L243 V245 M270 P557 S558 M559 L563 A564 S565 | E242-R561 WeakPolarHBondContact OE1-CD 3.2Å; E242-R561 IonicContact OE1-CZ 3.97Å; E242-R561 IonicContact OE1-NE 3.97Å; E242-R561 PolarHBondContact OE1-NE 3.13Å; E242-R561 WeakPolarHBondContact OE2-CD 3.45Å; E242-R561 IonicContact OE2-NE 3.85Å; E242-R561 PolarHBondContact OE2-NE 2.84Å; L243-R561 WeakPolarHBondContact O-CD 3.26Å; V245-R561 HydrophobicContact CG2-CG 3.94Å; M270-R561 HydrophobicContact CE-CG 4.06Å; M270-R561 HydrophobicContact SD-CB 4Å; M270-R561 HydrophobicContact SD-CG 4.03Å; P557-R561 VanDerWaalsContact CB-CZ 3.46Å; S558-R561 PolarHBondContact O-N 3.3Å; S558-R561 VanDerWaalsContact O-N 3.08Å; S558-R561 VanDerWaalsContact OG-CB 3.32Å; S558-R561 WeakPolarHBondContact OG-CB 3.46Å; S558-R561 PolarHBondContact OG-N 3.2Å; M559-R561 VanDerWaalsContact C-N 3.34Å; M559-R561 PolarHBondContact O-N 2.74Å; R561-L563 VanDerWaalsContact C-N 3.32Å; R561-L563 PolarHBondContact O-N 2.82Å; R561-A564 PolarHBondContact O-N 2.69Å; R561-S565 PolarHBondContact NH1-OG 3.37Å; R561-S565 WeakPolarHBondContact O-CB 3.31Å; R561-S565 PolarHBondContact O-N 2.88Å; R561-S565 PolarHBondContact O-OG 2.98Å |
| 562 | L | 89.9 | Confident | 86.1 | Confident | 20 Ų | 20 | 28.6 Ų | 28.6 | 11% | 0.105 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -58.7 | -46.1 | -176.6 | -173.6 | 134.4 | 0 | 0 | 0 | 111.5 | F536 P557 S558 M559 S565 Y566 | F536-L562 HydrophobicContact CD2-CD1 4.33Å; F536-L562 HydrophobicContact CE2-CD1 3.62Å; F536-L562 HydrophobicContact CE2-CD2 3.67Å; F536-L562 HydrophobicContact CE2-CG 4.23Å; F536-L562 HydrophobicContact CZ-CD1 4.47Å; F536-L562 HydrophobicContact CZ-CD2 3.68Å; P557-L562 HydrophobicContact CG-CD1 4.16Å; S558-L562 PolarHBondContact O-N 3.42Å; S558-L562 VanDerWaalsContact O-N 3.08Å; M559-L562 PolarHBondContact O-N 2.8Å; L562-S565 PolarHBondContact O-N 3.5Å; L562-Y566 HydrophobicContact CD1-CE2 4.37Å; L562-Y566 HydrophobicContact CD2-CD2 3.83Å; L562-Y566 HydrophobicContact CD2-CE2 3.76Å; L562-Y566 HydrophobicContact CG-CD2 4.01Å; L562-Y566 HydrophobicContact CG-CE2 3.81Å; L562-Y566 VanDerWaalsContact O-CD2 3.24Å; L562-Y566 WeakPolarHBondContact O-CD2 3.19Å; L562-Y566 PolarHBondContact O-N 3.45Å; L562-Y566 VanDerWaalsContact O-N 3.14Å |
| 563 | L | 91.8 | Very high | 87.1 | Confident | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.5 | -49 | 174.5 | -75.8 | 171.7 | 0 | 0 | 0 | 112.5 | F510 W516 F521 I524 M559 R561 S565 Y566 L567 | F510-L563 HydrophobicContact CD1-CD1 4.49Å; F510-L563 HydrophobicContact CE1-CB 4.37Å; F510-L563 HydrophobicContact CE1-CD1 3.91Å; F510-L563 HydrophobicContact CZ-CB 4.48Å; W516-L563 HydrophobicContact CE3-CD1 3.65Å; W516-L563 HydrophobicContact CH2-CD1 3.77Å; W516-L563 HydrophobicContact CZ3-CD1 3.16Å; F521-L563 HydrophobicContact CD2-CD2 3.66Å; F521-L563 HydrophobicContact CE2-CD2 4.3Å; I524-L563 HydrophobicContact CD1-CD2 3.81Å; M559-L563 WeakPolarHBondContact O-CB 3.39Å; M559-L563 WeakPolarHBondContact O-CG 3.36Å; M559-L563 PolarHBondContact O-N 3.13Å; R561-L563 VanDerWaalsContact C-N 3.32Å; R561-L563 PolarHBondContact O-N 2.82Å; L563-S565 VanDerWaalsContact C-N 3.27Å; L563-S565 PolarHBondContact O-N 2.93Å; L563-Y566 PolarHBondContact O-N 3.37Å; L563-L567 VanDerWaalsContact O-CB 3.29Å; L563-L567 WeakPolarHBondContact O-CB 3.38Å; L563-L567 VanDerWaalsContact O-CG 3.25Å; L563-L567 WeakPolarHBondContact O-CG 3.31Å; L563-L567 PolarHBondContact O-N 2.82Å |
| 564 | A | 95.3 | Very high | 88.5 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.4 | -34.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V289 L321 I560 R561 A568 | V289-A564 HydrophobicContact CG1-CB 4.26Å; L321-A564 HydrophobicContact CD1-CB 3.68Å; I560-A564 WeakPolarHBondContact O-CB 3.06Å; I560-A564 PolarHBondContact O-N 2.99Å; R561-A564 PolarHBondContact O-N 2.69Å; A564-A568 WeakPolarHBondContact O-CB 3.49Å; A564-A568 PolarHBondContact O-N 3.5Å |
| 565 | S | 94.6 | Very high | 90.1 | Very high | 2 Ų | 2 | 25.1 Ų | 25.1 | 1% | 0.014 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.8 | -59 | 174.6 | -62.6 | 0 | 0 | 0 | 0 | 111.5 | V245 R561 L562 L563 L567 A568 E569 Y619 | V245-S565 WeakPolarHBondContact CG2-OG 3.19Å; R561-S565 PolarHBondContact NH1-OG 3.37Å; R561-S565 WeakPolarHBondContact O-CB 3.31Å; R561-S565 PolarHBondContact O-N 2.88Å; R561-S565 PolarHBondContact O-OG 2.98Å; L562-S565 PolarHBondContact O-N 3.5Å; L563-S565 VanDerWaalsContact C-N 3.27Å; L563-S565 PolarHBondContact O-N 2.93Å; S565-L567 VanDerWaalsContact C-N 3.29Å; S565-L567 PolarHBondContact O-N 2.99Å; S565-A568 PolarHBondContact O-N 2.75Å; S565-E569 WeakPolarHBondContact O-CB 3.29Å; S565-E569 VanDerWaalsContact O-CG 3.32Å; S565-E569 WeakPolarHBondContact O-CG 3.27Å; S565-E569 PolarHBondContact O-N 2.96Å; S565-Y619 WeakPolarHBondContact CB-OH 3.28Å; S565-Y619 WeakPolarHBondContact OG-CE1 3.38Å |
| 566 | Y | 93.7 | Very high | 91.4 | Very high | 49 Ų | 49 | 26.3 Ų | 26.3 | 19% | 0.192 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.7 | -38.7 | -179.7 | -79 | -63.8 | 0 | 0 | 0 | 112.6 | I524 L528 L562 L563 Y570 M597 | I524-Y566 HydrophobicContact CG2-CD2 3.5Å; I524-Y566 HydrophobicContact CG2-CE2 3.82Å; I524-Y566 HydrophobicContact CG2-CG 3.92Å; L528-Y566 VanDerWaalsContact CD2-OH 3.29Å; L528-Y566 WeakPolarHBondContact CD2-OH 3.16Å; L562-Y566 HydrophobicContact CD1-CE2 4.37Å; L562-Y566 HydrophobicContact CD2-CD2 3.83Å; L562-Y566 HydrophobicContact CD2-CE2 3.76Å; L562-Y566 HydrophobicContact CG-CD2 4.01Å; L562-Y566 HydrophobicContact CG-CE2 3.81Å; L562-Y566 VanDerWaalsContact O-CD2 3.24Å; L562-Y566 WeakPolarHBondContact O-CD2 3.19Å; L562-Y566 PolarHBondContact O-N 3.45Å; L562-Y566 VanDerWaalsContact O-N 3.14Å; L563-Y566 PolarHBondContact O-N 3.37Å; Y566-Y570 VanDerWaalsContact O-CB 3.27Å; Y566-Y570 WeakPolarHBondContact O-CB 3.08Å; Y566-Y570 PolarHBondContact O-N 3.14Å; Y566-M597 HydrophobicContact CD1-CE 3.44Å; Y566-M597 VanDerWaalsContact CD1-CE 3.44Å; Y566-M597 HydrophobicContact CE1-CE 4.07Å; Y566-M597 HydrophobicContact CG-CE 4.18Å |
| 567 | L | 96 | Very high | 92.1 | Very high | 3 Ų | 3 | 24.7 Ų | 24.7 | 2% | 0.016 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -67.7 | -43.9 | 177 | -73.1 | 170.6 | 0 | 0 | 0 | 111.9 | L293 L506 I520 L563 S565 E569 Y570 F571 L600 | L293-L567 HydrophobicContact CD1-CB 4.41Å; L293-L567 HydrophobicContact CD1-CD1 3.92Å; L293-L567 HydrophobicContact CD2-CB 3.84Å; L506-L567 HydrophobicContact CD2-CD1 3.69Å; L506-L567 HydrophobicContact CD2-CD2 4.46Å; I520-L567 HydrophobicContact CG2-CD2 3.75Å; I520-L567 HydrophobicContact CG2-CG 4.5Å; L563-L567 VanDerWaalsContact O-CB 3.29Å; L563-L567 WeakPolarHBondContact O-CB 3.38Å; L563-L567 VanDerWaalsContact O-CG 3.25Å; L563-L567 WeakPolarHBondContact O-CG 3.31Å; L563-L567 PolarHBondContact O-N 2.82Å; S565-L567 VanDerWaalsContact C-N 3.29Å; S565-L567 PolarHBondContact O-N 2.99Å; L567-E569 VanDerWaalsContact C-N 3.33Å; L567-E569 PolarHBondContact O-N 3.24Å; L567-Y570 PolarHBondContact O-N 3.17Å; L567-F571 HydrophobicContact CB-CD2 4.31Å; L567-F571 HydrophobicContact CB-CE2 4Å; L567-F571 HydrophobicContact CD2-CE1 4.48Å; L567-F571 HydrophobicContact CD2-CE2 4.18Å; L567-F571 HydrophobicContact CD2-CZ 3.88Å; L567-F571 WeakPolarHBondContact O-CB 3.44Å; L567-F571 WeakPolarHBondContact O-CD2 3.21Å; L567-F571 WeakPolarHBondContact O-CG 3.47Å; L567-F571 PolarHBondContact O-N 3.49Å; L567-L600 HydrophobicContact CD2-CD1 4.35Å |
| 568 | A | 96.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.3 | -43.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | V245 W292 L293 A564 S565 F571 V572 V617 | V245-A568 HydrophobicContact CG1-CB 4.43Å; W292-A568 HydrophobicContact CH2-CB 4.3Å; W292-A568 HydrophobicContact CZ3-CB 4.05Å; L293-A568 HydrophobicContact CD2-CB 4.49Å; A564-A568 WeakPolarHBondContact O-CB 3.49Å; A564-A568 PolarHBondContact O-N 3.5Å; S565-A568 PolarHBondContact O-N 2.75Å; A568-F571 PolarHBondContact O-N 3.48Å; A568-V572 WeakPolarHBondContact O-CB 3.26Å; A568-V572 WeakPolarHBondContact O-CG2 3.45Å; A568-V572 PolarHBondContact O-N 3.29Å; A568-V617 HydrophobicContact CB-CG1 4.42Å; A568-V617 HydrophobicContact CB-CG2 4.18Å |
| 569 | E | 94.9 | Very high | 92.1 | Very high | 20 Ų | 20 | 32.9 Ų | 32.9 | 9% | 0.093 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.6 | -49.7 | 176.5 | -73.2 | 173.3 | 164.7 | 0 | 0 | 111.3 | S565 L567 F571 G573 F595 L613 T615 V617 Y619 | S565-E569 WeakPolarHBondContact O-CB 3.29Å; S565-E569 VanDerWaalsContact O-CG 3.32Å; S565-E569 WeakPolarHBondContact O-CG 3.27Å; S565-E569 PolarHBondContact O-N 2.96Å; L567-E569 VanDerWaalsContact C-N 3.33Å; L567-E569 PolarHBondContact O-N 3.24Å; E569-F571 PolarHBondContact O-N 3.46Å; E569-G573 WeakPolarHBondContact O-CA 3.4Å; E569-G573 PolarHBondContact O-N 3.37Å; E569-F595 HydrophobicContact CB-CZ 4.08Å; E569-F595 HydrophobicContact CG-CZ 4.44Å; E569-F595 VanDerWaalsContact OE2-CZ 3.27Å; E569-F595 WeakPolarHBondContact OE2-CZ 3.32Å; E569-L613 HydrophobicContact CB-CD2 4.23Å; E569-T615 HydrophobicContact CB-CG2 3.98Å; E569-T615 HydrophobicContact CG-CG2 3.81Å; E569-V617 HydrophobicContact CG-CB 3.78Å; E569-V617 HydrophobicContact CG-CG1 4.03Å; E569-V617 HydrophobicContact CG-CG2 4.15Å; E569-Y619 PolarHBondContact OE1-OH 3.2Å |
| 570 | Y | 95.3 | Very high | 91.7 | Very high | 12 Ų | 12 | 41.3 Ų | 41.3 | 5% | 0.047 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.3 | -36.1 | 179.8 | 174.4 | -87 | 0 | 0 | 0 | 112.9 | Y566 L567 K575 M597 D599 L600 L601 | Y566-Y570 VanDerWaalsContact O-CB 3.27Å; Y566-Y570 WeakPolarHBondContact O-CB 3.08Å; Y566-Y570 PolarHBondContact O-N 3.14Å; L567-Y570 PolarHBondContact O-N 3.17Å; Y570-K575 HydrophobicContact CD2-CD 3.99Å; Y570-K575 HydrophobicContact CE1-CD 4.45Å; Y570-K575 HydrophobicContact CE2-CD 3.68Å; Y570-K575 VanDerWaalsContact O-CE 3.3Å; Y570-K575 WeakPolarHBondContact O-CE 3.41Å; Y570-K575 PolarHBondContact O-NZ 2.99Å; Y570-M597 HydrophobicContact CD2-SD 3.94Å; Y570-M597 HydrophobicContact CG-SD 4.42Å; Y570-D599 PolarHBondContact OH-OD1 2.73Å; Y570-L600 HydrophobicContact CD1-CB 4.3Å; Y570-L600 HydrophobicContact CD1-CD1 4.25Å; Y570-L600 HydrophobicContact CD2-CB 4.07Å; Y570-L600 HydrophobicContact CD2-CD1 3.95Å; Y570-L600 HydrophobicContact CD2-CG 3.72Å; Y570-L600 HydrophobicContact CE1-CB 4.29Å; Y570-L600 HydrophobicContact CE2-CB 4Å; Y570-L600 HydrophobicContact CE2-CG 4.09Å; Y570-L600 HydrophobicContact CG-CB 4.22Å; Y570-L600 HydrophobicContact CG-CD1 3.7Å; Y570-L600 HydrophobicContact CG-CG 3.97Å; Y570-L601 HydrophobicContact CE1-CD1 3.66Å; Y570-L601 HydrophobicContact CE1-CG 3.68Å |
| 571 | F | 96.2 | Very high | 91.3 | Very high | 5 Ų | 5 | 42 Ų | 42 | 2% | 0.022 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -74.2 | -42.7 | -178.5 | -74.8 | -21.3 | 0 | 0 | 0 | 112.8 | L293 E297 G300 I502 L506 L567 A568 E569 L601 | L293-F571 HydrophobicContact CB-CE2 4.23Å; L293-F571 HydrophobicContact CD2-CD2 4.45Å; L293-F571 HydrophobicContact CD2-CE2 4.5Å; L293-F571 WeakPolarHBondContact O-CD2 3.43Å; E297-F571 HydrophobicContact CB-CB 4.15Å; E297-F571 HydrophobicContact CB-CD1 3.98Å; E297-F571 HydrophobicContact CB-CD2 3.96Å; E297-F571 HydrophobicContact CB-CE1 4.43Å; E297-F571 HydrophobicContact CB-CE2 4.39Å; E297-F571 HydrophobicContact CB-CG 3.76Å; E297-F571 HydrophobicContact CG-CD1 3.74Å; E297-F571 HydrophobicContact CG-CE1 4.09Å; E297-F571 HydrophobicContact CG-CG 4.06Å; G300-F571 WeakPolarHBondContact CA-O 3.36Å; I502-F571 HydrophobicContact CG2-CE1 4.37Å; I502-F571 HydrophobicContact CG2-CE2 4.45Å; I502-F571 HydrophobicContact CG2-CZ 3.89Å; L506-F571 HydrophobicContact CD2-CE2 4.32Å; L506-F571 HydrophobicContact CD2-CZ 4.3Å; L567-F571 HydrophobicContact CB-CD2 4.31Å; L567-F571 HydrophobicContact CB-CE2 4Å; L567-F571 HydrophobicContact CD2-CE1 4.48Å; L567-F571 HydrophobicContact CD2-CE2 4.18Å; L567-F571 HydrophobicContact CD2-CZ 3.88Å; L567-F571 WeakPolarHBondContact O-CB 3.44Å; L567-F571 WeakPolarHBondContact O-CD2 3.21Å; L567-F571 WeakPolarHBondContact O-CG 3.47Å; L567-F571 PolarHBondContact O-N 3.49Å; A568-F571 PolarHBondContact O-N 3.48Å; E569-F571 PolarHBondContact O-N 3.46Å; F571-L601 HydrophobicContact CE1-CD1 4.13Å; F571-L601 HydrophobicContact CE1-CD2 4.43Å |
| 572 | V | 95.5 | Very high | 90.8 | Very high | 13 Ų | 13 | 43.2 Ų | 43.2 | 8% | 0.079 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -90.6 | -27.6 | -175.6 | -177.7 | 0 | 0 | 0 | 0 | 112.1 | F247 L249 A296 A568 V617 | F247-V572 HydrophobicContact CD1-CG2 4.17Å; F247-V572 HydrophobicContact CD2-CG1 4.12Å; F247-V572 HydrophobicContact CD2-CG2 4.22Å; F247-V572 HydrophobicContact CE1-CG2 3.73Å; F247-V572 HydrophobicContact CE2-CG1 4.29Å; F247-V572 HydrophobicContact CE2-CG2 3.79Å; F247-V572 HydrophobicContact CG-CG1 4.46Å; F247-V572 HydrophobicContact CG-CG2 4.39Å; F247-V572 HydrophobicContact CZ-CG2 3.53Å; L249-V572 HydrophobicContact CD1-CG1 4.42Å; L249-V572 HydrophobicContact CD2-CG1 3.93Å; A296-V572 HydrophobicContact CB-CG2 4.24Å; A568-V572 WeakPolarHBondContact O-CB 3.26Å; A568-V572 WeakPolarHBondContact O-CG2 3.45Å; A568-V572 PolarHBondContact O-N 3.29Å; V572-V617 HydrophobicContact CB-CG2 4.49Å |
| 573 | G | 93 | Very high | 90.3 | Very high | 7 Ų | 7 | 46.2 Ų | 46.2 | 7% | 0.072 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -72 | 150.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | E569 C614 | E569-G573 WeakPolarHBondContact O-CA 3.4Å; E569-G573 PolarHBondContact O-N 3.37Å; G573-C614 CarbonylContact C-O 3.49Å; G573-C614 WeakPolarHBondContact CA-O 3.27Å |
| 574 | T | 91.5 | Very high | 89.8 | Confident | 96 Ų | 96 | 53 Ų | 53 | 59% | 0.589 | 28% | 0.275 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 127 | 172.4 | 54.9 | 0 | 0 | 0 | 0 | 109.5 | L613 C614 | T574-L613 WeakPolarHBondContact O-CA 3.41Å; T574-C614 PolarHBondContact N-O 2.67Å; T574-C614 PolarHBondContact O-N 2.72Å; T574-C614 PolarHBondContact OG1-O 3.09Å |
| 575 | K | 90.3 | Very high | 89.2 | Confident | 86 Ų | 86 | 56.1 Ų | 56.1 | 37% | 0.374 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 128 | -173.9 | -70 | 165.1 | -78 | -159.6 | 0 | 110.2 | Y570 C612 L613 | Y570-K575 HydrophobicContact CD2-CD 3.99Å; Y570-K575 HydrophobicContact CE1-CD 4.45Å; Y570-K575 HydrophobicContact CE2-CD 3.68Å; Y570-K575 VanDerWaalsContact O-CE 3.3Å; Y570-K575 WeakPolarHBondContact O-CE 3.41Å; Y570-K575 PolarHBondContact O-NZ 2.99Å; K575-C612 WeakPolarHBondContact CA-O 3.46Å; K575-L613 HydrophobicContact CD-CD1 4.17Å; K575-L613 HydrophobicContact CG-CD1 3.44Å; K575-L613 VanDerWaalsContact CG-CD1 3.44Å |
| 576 | N | 89.2 | Confident | 88.6 | Confident | 113 Ų | 113 | 56.1 Ų | 56.1 | 60% | 0.604 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 102.6 | 166.1 | -172 | 9.1 | 0 | 0 | 0 | 109 | C611 C612 | N576-C611 WeakPolarHBondContact O-CA 3.18Å; N576-C612 PolarHBondContact N-O 3.48Å; N576-C612 PolarHBondContact O-N 2.84Å |
| 577 | C | 88.9 | Confident | 87.6 | Confident | 45 Ų | 45 | 59 Ų | 59 | 30% | 0.304 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 126.3 | -174.1 | -52.8 | 0 | 0 | 0 | 0 | 110.8 | L609 D610 C611 | C577-L609 HydrophobicContact CB-CB 4.07Å; C577-L609 HydrophobicContact CB-CD1 4.4Å; C577-D610 CarbonylContact C-O 3.47Å; C577-D610 VanDerWaalsContact CA-O 3.26Å; C577-D610 WeakPolarHBondContact CA-O 3.4Å; C577-C611 HydrophobicContact CB-CB 4.02Å; C577-C611 WeakPolarHBondContact CB-SG 3.3Å; C577-C611 WeakPolarHBondContact SG-CB 3.28Å; C577-C611 CovalentContact SG-SG 2.03Å; C577-C611 PolarHBondContact SG-SG 3.36Å |
| 578 | S | 86.3 | Confident | 86.1 | Confident | 42 Ų | 42 | 64.9 Ų | 64.9 | 29% | 0.294 | 34% | 0.343 | S | S | . | . | trans | -154.4 | 156.8 | 176.5 | 87.9 | 0 | 0 | 0 | 0 | 111.4 | E580 T581 D610 | S578-E580 PolarHBondContact O-N 3.47Å; S578-E580 VanDerWaalsContact O-N 3.16Å; S578-E580 PolarHBondContact OG-N 2.84Å; S578-T581 PolarHBondContact N-OG1 2.79Å; S578-T581 WeakPolarHBondContact O-CB 3.3Å; S578-T581 PolarHBondContact O-N 2.97Å; S578-T581 VanDerWaalsContact O-N 3.15Å; S578-T581 PolarHBondContact O-OG1 2.92Å; S578-T581 PolarHBondContact OG-N 3.41Å; S578-T581 PolarHBondContact OG-OG1 3.4Å; S578-D610 PolarHBondContact N-O 2.97Å | ||
| 579 | N | 81.7 | Confident | 84.5 | Confident | 145 Ų | 145 | 70.2 Ų | 70.2 | 78% | 0.775 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -16.3 | 174.8 | -69.6 | -23.9 | 0 | 0 | 0 | 113.7 | L609 | N579-L609 WeakPolarHBondContact OD1-CD2 3.49Š|
| 580 | E | 80.5 | Confident | 83.3 | Confident | 180 Ų | 180 | 78.8 Ų | 78.8 | 84% | 0.841 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | -3.5 | -179.8 | -63 | -179.2 | 178.9 | 0 | 0 | 112.2 | S578 S582 | S578-E580 PolarHBondContact O-N 3.47Å; S578-E580 VanDerWaalsContact O-N 3.16Å; S578-E580 PolarHBondContact OG-N 2.84Å; E580-S582 PolarHBondContact O-N 3.38Å |
| 581 | T | 83.6 | Confident | 82.3 | Confident | 15 Ų | 15 | 81.9 Ų | 81.9 | 9% | 0.092 | 42% | 0.422 | C | S | . | . | trans | -73.7 | 123.3 | -178.4 | -55.1 | 0 | 0 | 0 | 0 | 109.4 | S578 D610 C612 | S578-T581 PolarHBondContact N-OG1 2.79Å; S578-T581 WeakPolarHBondContact O-CB 3.3Å; S578-T581 PolarHBondContact O-N 2.97Å; S578-T581 VanDerWaalsContact O-N 3.15Å; S578-T581 PolarHBondContact O-OG1 2.92Å; S578-T581 PolarHBondContact OG-N 3.41Å; S578-T581 PolarHBondContact OG-OG1 3.4Å; T581-D610 WeakPolarHBondContact CB-O 3.48Å; T581-D610 HydrophobicContact CG2-CB 4.48Å; T581-D610 VanDerWaalsContact O-CB 3.31Å; T581-D610 WeakPolarHBondContact O-CB 3.31Å; T581-C612 HydrophobicContact CG2-CB 4.42Å | ||
| 582 | S | 81.5 | Confident | 81.4 | Confident | 53 Ų | 53 | 85.7 Ų | 85.7 | 37% | 0.371 | 45% | 0.448 | S | S | . | . | trans | -117.9 | 158.8 | 174.9 | 72.2 | 0 | 0 | 0 | 0 | 110.9 | E580 E584 S585 C586 | E580-S582 PolarHBondContact O-N 3.38Å; S582-E584 VanDerWaalsContact C-N 3.28Å; S582-E584 PolarHBondContact O-N 3.18Å; S582-S585 WeakPolarHBondContact O-CB 3.39Å; S582-S585 PolarHBondContact O-N 3.31Å; S582-S585 VanDerWaalsContact O-N 3.09Å; S582-S585 WeakPolarHBondContact OG-CB 3.39Å; S582-S585 PolarHBondContact OG-N 3.38Å; S582-C586 PolarHBondContact O-N 3.24Å | ||
| 583 | R | 80.8 | Confident | 80.8 | Confident | 84 Ų | 84 | 85.5 Ų | 85.5 | 32% | 0.317 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -52.7 | -46.6 | 175.4 | -173.5 | 171.2 | -169.2 | 132.2 | 5.7 | 112.4 | T527 T529 S585 C586 E587 Y596 | T527-R583 PolarHBondContact O-NH1 2.86Å; T529-R583 VanDerWaalsContact CG2-NH2 3.29Å; R583-S585 VanDerWaalsContact C-N 3.34Å; R583-S585 PolarHBondContact O-N 3.48Å; R583-C586 PolarHBondContact O-N 2.83Å; R583-E587 VanDerWaalsContact CG-OE1 3.31Å; R583-E587 WeakPolarHBondContact CG-OE1 3.38Å; R583-E587 IonicContact CZ-OE1 2.81Å; R583-E587 IonicContact NE-OE1 3.67Å; R583-E587 PolarHBondContact NE-OE1 2.93Å; R583-E587 IonicContact NH2-OE1 3.7Å; R583-E587 WeakPolarHBondContact O-CG 3.42Å; R583-E587 PolarHBondContact O-N 2.81Å; R583-E587 VanDerWaalsContact O-N 3.09Å; R583-Y596 HydrophobicContact CB-CD1 4.19Å; R583-Y596 HydrophobicContact CB-CD2 4.23Å; R583-Y596 HydrophobicContact CB-CG 3.93Å; R583-Y596 HydrophobicContact CG-CD1 4.24Å; R583-Y596 HydrophobicContact CG-CG 4.13Å |
| 584 | E | 80.6 | Confident | 80.6 | Confident | 143 Ų | 143 | 85.8 Ų | 85.8 | 67% | 0.668 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -63.1 | -36.8 | 178.1 | -68.2 | -179.4 | 165.4 | 0 | 0 | 112.9 | S582 C586 E587 N588 | S582-E584 VanDerWaalsContact C-N 3.28Å; S582-E584 PolarHBondContact O-N 3.18Å; E584-C586 VanDerWaalsContact C-N 3.27Å; E584-C586 PolarHBondContact O-N 2.66Å; E584-E587 PolarHBondContact O-N 2.91Å; E584-N588 VanDerWaalsContact O-CB 3.29Å; E584-N588 WeakPolarHBondContact O-CB 3.41Å; E584-N588 PolarHBondContact O-N 2.92Å; E584-N588 VanDerWaalsContact O-N 3.07Å; E584-N588 PolarHBondContact O-ND2 2.89Å |
| 585 | S | 82.1 | Confident | 80.5 | Confident | 66 Ų | 66 | 83.9 Ų | 83.9 | 46% | 0.462 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62.6 | -37.3 | 178.9 | -171.7 | 0 | 0 | 0 | 0 | 111.7 | S582 R583 | S582-S585 WeakPolarHBondContact O-CB 3.39Å; S582-S585 PolarHBondContact O-N 3.31Å; S582-S585 VanDerWaalsContact O-N 3.09Å; S582-S585 WeakPolarHBondContact OG-CB 3.39Å; S582-S585 PolarHBondContact OG-N 3.38Å; R583-S585 VanDerWaalsContact C-N 3.34Å; R583-S585 PolarHBondContact O-N 3.48Å |
| 586 | C | 82.6 | Confident | 80.4 | Confident | 2 Ų | 2 | 81.8 Ų | 81.8 | 1% | 0.014 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -73.9 | -47 | 177.2 | -75 | 0 | 0 | 0 | 0 | 113.3 | S582 R583 E584 N588 Q589 C612 | S582-C586 PolarHBondContact O-N 3.24Å; R583-C586 PolarHBondContact O-N 2.83Å; E584-C586 VanDerWaalsContact C-N 3.27Å; E584-C586 PolarHBondContact O-N 2.66Å; C586-N588 PolarHBondContact O-N 2.91Å; C586-Q589 PolarHBondContact O-N 3.19Å; C586-C612 WeakPolarHBondContact CA-SG 3.07Å; C586-C612 HydrophobicContact CB-CB 4.38Å; C586-C612 WeakPolarHBondContact CB-SG 3.5Å; C586-C612 WeakPolarHBondContact SG-CA 3.44Å; C586-C612 WeakPolarHBondContact SG-CB 3.37Å; C586-C612 CovalentContact SG-SG 2.04Å; C586-C612 PolarHBondContact SG-SG 3.25Å |
| 587 | E | 72.9 | Confident | 80.5 | Confident | 109 Ų | 109 | 76.5 Ų | 76.5 | 51% | 0.509 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -65.8 | -29.1 | -178.2 | -69.2 | 174.7 | -178.7 | 0 | 0 | 112.1 | R583 E584 Q589 | R583-E587 VanDerWaalsContact CG-OE1 3.31Å; R583-E587 WeakPolarHBondContact CG-OE1 3.38Å; R583-E587 IonicContact CZ-OE1 2.81Å; R583-E587 IonicContact NE-OE1 3.67Å; R583-E587 PolarHBondContact NE-OE1 2.93Å; R583-E587 IonicContact NH2-OE1 3.7Å; R583-E587 WeakPolarHBondContact O-CG 3.42Å; R583-E587 PolarHBondContact O-N 2.81Å; R583-E587 VanDerWaalsContact O-N 3.09Å; E584-E587 PolarHBondContact O-N 2.91Å; E587-Q589 PolarHBondContact O-N 3Å |
| 588 | N | 64.7 | Low | 80.5 | Confident | 127 Ų | 127 | 74.5 Ų | 74.5 | 68% | 0.679 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -13.3 | 178.6 | -80.7 | -39.5 | 0 | 0 | 0 | 114.8 | E584 C586 K590 | E584-N588 VanDerWaalsContact O-CB 3.29Å; E584-N588 WeakPolarHBondContact O-CB 3.41Å; E584-N588 PolarHBondContact O-N 2.92Å; E584-N588 VanDerWaalsContact O-N 3.07Å; E584-N588 PolarHBondContact O-ND2 2.89Å; C586-N588 PolarHBondContact O-N 2.91Å; N588-K590 PolarHBondContact O-N 3.24Å |
| 589 | Q | 63 | Low | 80.7 | Confident | 112 Ų | 112 | 74.1 Ų | 74.1 | 52% | 0.523 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -10.1 | -178.7 | -77.6 | -171.9 | 1.5 | 0 | 0 | 114 | C586 E587 D591 | C586-Q589 PolarHBondContact O-N 3.19Å; E587-Q589 PolarHBondContact O-N 3Å; Q589-D591 PolarHBondContact O-N 3.15Å |
| 590 | K | 69.5 | Low | 81.1 | Confident | 200 Ų | 200 | 67.2 Ų | 67.2 | 87% | 0.87 | 34% | 0.337 | S | S | * | . | trans | 56.9 | -0.5 | -175.1 | -63.2 | -173.3 | 179.2 | -179 | 0 | 115 | N588 P592 | N588-K590 PolarHBondContact O-N 3.24Å; K590-P592 VanDerWaalsContact O-CD 3.29Å; K590-P592 WeakPolarHBondContact O-CD 3.28Å | ||
| 591 | D | 74.9 | Confident | 81.4 | Confident | 76 Ų | 76 | 61.4 Ų | 61.4 | 41% | 0.406 | 31% | 0.311 | S | S | . | . | trans | -81.5 | 111.3 | 170.2 | -170.2 | -24.5 | 0 | 0 | 0 | 107.9 | Q589 S593 C594 | Q589-D591 PolarHBondContact O-N 3.15Å; D591-S593 PolarHBondContact O-N 2.77Å; D591-S593 VanDerWaalsContact O-N 3.13Å; D591-S593 WeakPolarHBondContact OD1-CB 3.32Å; D591-S593 PolarHBondContact OD1-N 3.43Å; D591-S593 PolarHBondContact OD1-OG 2.85Å; D591-S593 PolarHBondContact OD2-OG 3.03Å; D591-C594 PolarHBondContact O-N 3.06Å; D591-C594 VanDerWaalsContact O-N 3.14Å | ||
| 592 | P | 76.1 | Confident | 81.5 | Confident | 86 Ų | 86 | 61.2 Ų | 61.2 | 56% | 0.558 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -8.5 | -178.1 | 30.1 | -35.8 | 0 | 0 | 0 | 113.4 | V350 K590 C594 | V350-P592 HydrophobicContact CB-CB 4.44Å; V350-P592 HydrophobicContact CG1-CB 3.34Å; V350-P592 HydrophobicContact CG1-CG 3.46Å; V350-P592 VanDerWaalsContact CG1-CG 3.46Å; K590-P592 VanDerWaalsContact O-CD 3.29Å; K590-P592 WeakPolarHBondContact O-CD 3.28Å; P592-C594 VanDerWaalsContact C-N 3.3Å |
| 593 | S | 83.9 | Confident | 81.4 | Confident | 8 Ų | 8 | 62.2 Ų | 62.2 | 6% | 0.056 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | -14.4 | 174.2 | 74.5 | 0 | 0 | 0 | 0 | 113.5 | L351 D591 C614 T615 | L351-S593 VanDerWaalsContact CD2-CB 3.4Å; D591-S593 PolarHBondContact O-N 2.77Å; D591-S593 VanDerWaalsContact O-N 3.13Å; D591-S593 WeakPolarHBondContact OD1-CB 3.32Å; D591-S593 PolarHBondContact OD1-N 3.43Å; D591-S593 PolarHBondContact OD1-OG 2.85Å; D591-S593 PolarHBondContact OD2-OG 3.03Å; S593-C614 WeakPolarHBondContact O-CA 3.43Å; S593-T615 WeakPolarHBondContact CB-O 3.43Å; S593-T615 PolarHBondContact O-N 2.92Å |
| 594 | C | 88.7 | Confident | 81.1 | Confident | 13 Ų | 13 | 62.9 Ų | 62.9 | 9% | 0.088 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 133.2 | -173 | -57.2 | 0 | 0 | 0 | 0 | 111.9 | D591 P592 L613 C614 | D591-C594 PolarHBondContact O-N 3.06Å; D591-C594 VanDerWaalsContact O-N 3.14Å; P592-C594 VanDerWaalsContact C-N 3.3Å; C594-L613 CarbonylContact C-O 3.57Å; C594-L613 VanDerWaalsContact CA-O 3.26Å; C594-L613 WeakPolarHBondContact CA-O 3.38Å; C594-C614 HydrophobicContact CB-CB 4.1Å; C594-C614 WeakPolarHBondContact CB-SG 3.4Å; C594-C614 WeakPolarHBondContact SG-CB 3.31Å; C594-C614 CovalentContact SG-SG 2.04Å; C594-C614 PolarHBondContact SG-SG 3.29Å |
| 595 | F | 88 | Confident | 80.7 | Confident | 56 Ų | 56 | 60.2 Ų | 60.2 | 25% | 0.246 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 164.9 | 174 | 60.7 | -91.2 | 0 | 0 | 0 | 112.2 | E569 M597 L613 T615 | E569-F595 HydrophobicContact CB-CZ 4.08Å; E569-F595 HydrophobicContact CG-CZ 4.44Å; E569-F595 VanDerWaalsContact OE2-CZ 3.27Å; E569-F595 WeakPolarHBondContact OE2-CZ 3.32Å; F595-M597 HydrophobicContact CD2-CB 4.44Å; F595-M597 HydrophobicContact CE2-CB 4.26Å; F595-M597 HydrophobicContact CE2-CE 4.17Å; F595-M597 HydrophobicContact CE2-SD 4.41Å; F595-L613 HydrophobicContact CE1-CD2 4.32Å; F595-L613 HydrophobicContact CE2-CD2 3.83Å; F595-L613 HydrophobicContact CZ-CD2 3.58Å; F595-L613 HydrophobicContact CZ-CG 4.34Å; F595-L613 PolarHBondContact N-O 2.65Å; F595-L613 PolarHBondContact O-N 3.35Å; F595-T615 HydrophobicContact CE1-CG2 3.63Å; F595-T615 HydrophobicContact CZ-CG2 4.38Å |
| 596 | Y | 89.2 | Confident | 80.5 | Confident | 43 Ų | 43 | 63.1 Ų | 63.1 | 17% | 0.169 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 135.2 | 179.2 | 166.1 | -91.6 | 0 | 0 | 0 | 111.6 | R583 D610 | R583-Y596 HydrophobicContact CB-CD1 4.19Å; R583-Y596 HydrophobicContact CB-CD2 4.23Å; R583-Y596 HydrophobicContact CB-CG 3.93Å; R583-Y596 HydrophobicContact CG-CD1 4.24Å; R583-Y596 HydrophobicContact CG-CG 4.13Å; Y596-D610 HydrophobicContact CE2-CB 3.81Å; Y596-D610 WeakPolarHBondContact CE2-OD1 3.35Å; Y596-D610 VanDerWaalsContact CZ-OD1 3.31Å; Y596-D610 PolarHBondContact OH-OD1 3.03Å |
| 597 | M | 90.1 | Very high | 80.4 | Confident | 1 Ų | 1 | 72.1 Ų | 72.1 | 1% | 0.005 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 135.9 | 174.5 | 165.3 | 168.3 | -83.2 | 0 | 0 | 110.8 | T527 Y566 Y570 F595 L600 C611 L613 | T527-M597 HydrophobicContact CG2-CB 3.95Å; T527-M597 HydrophobicContact CG2-CE 3.41Å; T527-M597 VanDerWaalsContact CG2-CE 3.41Å; T527-M597 HydrophobicContact CG2-CG 3.69Å; T527-M597 HydrophobicContact CG2-SD 4.38Å; Y566-M597 HydrophobicContact CD1-CE 3.44Å; Y566-M597 VanDerWaalsContact CD1-CE 3.44Å; Y566-M597 HydrophobicContact CE1-CE 4.07Å; Y566-M597 HydrophobicContact CG-CE 4.18Å; Y570-M597 HydrophobicContact CD2-SD 3.94Å; Y570-M597 HydrophobicContact CG-SD 4.42Å; F595-M597 HydrophobicContact CD2-CB 4.44Å; F595-M597 HydrophobicContact CE2-CB 4.26Å; F595-M597 HydrophobicContact CE2-CE 4.17Å; F595-M597 HydrophobicContact CE2-SD 4.41Å; M597-L600 HydrophobicContact CE-CD1 4.21Å; M597-L600 HydrophobicContact CE-CD2 4.4Å; M597-L600 HydrophobicContact CG-CD2 4.2Å; M597-L600 HydrophobicContact CG-CG 4.29Å; M597-L600 HydrophobicContact SD-CD1 3.82Å; M597-L600 HydrophobicContact SD-CD2 4.17Å; M597-L600 HydrophobicContact SD-CG 3.9Å; M597-C611 PolarHBondContact N-O 3.38Å; M597-C611 WeakPolarHBondContact O-CA 3.25Å; M597-C611 WeakPolarHBondContact O-CB 3.28Å; M597-C611 PolarHBondContact O-N 3.49Å; M597-C611 VanDerWaalsContact O-O 3.12Å; M597-L613 HydrophobicContact SD-CD2 3.9Å |
| 598 | P | 89.2 | Confident | 80.9 | Confident | 4 Ų | 4 | 67.9 Ų | 67.9 | 3% | 0.026 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 153.6 | 167.3 | 25.9 | -36.8 | 0 | 0 | 0 | 112.1 | R523 E526 T527 L600 A608 | R523-P598 HydrophobicContact CB-CG 4.3Å; R523-P598 WeakPolarHBondContact O-CG 3.43Å; E526-P598 HydrophobicContact CB-CG 4.1Å; T527-P598 HydrophobicContact CG2-CG 4.08Å; P598-L600 PolarHBondContact O-N 2.98Å; P598-A608 HydrophobicContact CB-CB 4.19Å |
| 599 | D | 90.3 | Very high | 82.1 | Confident | 33 Ų | 33 | 65 Ų | 65 | 18% | 0.176 | 36% | 0.361 | C | S | . | . | trans | -61.5 | 101.1 | 175.2 | -177.8 | 10.7 | 0 | 0 | 0 | 111.9 | R523 Y570 L601 A602 A608 L609 | R523-D599 VanDerWaalsContact CD-O 3.25Å; R523-D599 WeakPolarHBondContact CD-O 3.38Å; R523-D599 PolarHBondContact NH1-O 2.84Å; Y570-D599 PolarHBondContact OH-OD1 2.73Å; D599-L601 PolarHBondContact O-N 2.02Å; D599-L601 VanDerWaalsContact O-N 3.14Å; D599-L601 PolarHBondContact OD1-N 2.82Å; D599-L601 VanDerWaalsContact OD1-N 3.16Å; D599-A602 HydrophobicContact CB-CB 4.2Å; D599-A602 PolarHBondContact O-N 2.79Å; D599-A608 HydrophobicContact CB-CB 4.42Å; D599-L609 PolarHBondContact N-O 3.1Å | ||
| 600 | L | 90 | Very high | 83.3 | Confident | 1 Ų | 1 | 61.9 Ų | 61.9 | 1% | 0.005 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -25.8 | -177 | -60 | -171 | 0 | 0 | 0 | 113.4 | R523 I524 L567 Y570 M597 P598 | R523-L600 HydrophobicContact CB-CD2 3.62Å; R523-L600 VanDerWaalsContact NH1-C 3.29Å; R523-L600 PolarHBondContact NH1-O 2.83Å; I524-L600 HydrophobicContact CD1-CD1 4.42Å; I524-L600 HydrophobicContact CG1-CD1 3.97Å; I524-L600 HydrophobicContact CG1-CD2 3.88Å; L567-L600 HydrophobicContact CD2-CD1 4.35Å; Y570-L600 HydrophobicContact CD1-CB 4.3Å; Y570-L600 HydrophobicContact CD1-CD1 4.25Å; Y570-L600 HydrophobicContact CD2-CB 4.07Å; Y570-L600 HydrophobicContact CD2-CD1 3.95Å; Y570-L600 HydrophobicContact CD2-CG 3.72Å; Y570-L600 HydrophobicContact CE1-CB 4.29Å; Y570-L600 HydrophobicContact CE2-CB 4Å; Y570-L600 HydrophobicContact CE2-CG 4.09Å; Y570-L600 HydrophobicContact CG-CB 4.22Å; Y570-L600 HydrophobicContact CG-CD1 3.7Å; Y570-L600 HydrophobicContact CG-CG 3.97Å; M597-L600 HydrophobicContact CE-CD1 4.21Å; M597-L600 HydrophobicContact CE-CD2 4.4Å; M597-L600 HydrophobicContact CG-CD2 4.2Å; M597-L600 HydrophobicContact CG-CG 4.29Å; M597-L600 HydrophobicContact SD-CD1 3.82Å; M597-L600 HydrophobicContact SD-CD2 4.17Å; M597-L600 HydrophobicContact SD-CG 3.9Å; P598-L600 PolarHBondContact O-N 2.98Å |
| 601 | L | 88.4 | Confident | 84.4 | Confident | 57 Ų | 57 | 52.5 Ų | 52.5 | 30% | 0.298 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | 1.7 | -174.6 | -63.5 | 178.3 | 0 | 0 | 0 | 114.7 | I502 I520 Y570 F571 D599 | I502-L601 HydrophobicContact CD1-CD1 3.36Å; I502-L601 HydrophobicContact CD1-CD2 3.76Å; I502-L601 HydrophobicContact CD1-CG 4.19Å; I520-L601 HydrophobicContact CD1-CD2 4.44Å; Y570-L601 HydrophobicContact CE1-CD1 3.66Å; Y570-L601 HydrophobicContact CE1-CG 3.68Å; F571-L601 HydrophobicContact CE1-CD1 4.13Å; F571-L601 HydrophobicContact CE1-CD2 4.43Å; D599-L601 PolarHBondContact O-N 2.02Å; D599-L601 VanDerWaalsContact O-N 3.14Å; D599-L601 PolarHBondContact OD1-N 2.82Å; D599-L601 VanDerWaalsContact OD1-N 3.16Å |
| 602 | A | 85.6 | Confident | 85.2 | Confident | 11 Ų | 11 | 49.3 Ų | 49.3 | 9% | 0.091 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -52.6 | 146.6 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | R523 D599 A608 | R523-A602 PolarHBondContact NH1-O 2.9Å; R523-A602 PolarHBondContact NH2-O 2.76Å; D599-A602 HydrophobicContact CB-CB 4.2Å; D599-A602 PolarHBondContact O-N 2.79Å; A602-A608 HydrophobicContact CB-CB 4.11Å |
| 603 | P | 79 | Confident | 85.9 | Confident | 75 Ų | 75 | 45.3 Ų | 45.3 | 49% | 0.487 | 27% | 0.265 | S | S | . | . | P | Polyproline II helix | trans | -57.9 | 145.2 | -179.7 | -25.2 | 34.9 | 0 | 0 | 0 | 112.9 | R523 G605 Q606 | R523-P603 PolarHBondContact NH2-O 3.48Å; P603-G605 PolarHBondContact O-N 3.42Å; P603-Q606 HydrophobicContact CB-CG 4.44Å; P603-Q606 PolarHBondContact O-N 3.24Å |
| 604 | S | 74 | Confident | 86.3 | Confident | 98 Ų | 98 | 46.2 Ų | 46.2 | 69% | 0.685 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | 135.2 | 174.2 | -173.1 | 0 | 0 | 0 | 0 | 110.7 | Q606 | S604-Q606 VanDerWaalsContact C-N 3.33Š|
| 605 | G | 73.5 | Confident | 86.4 | Confident | 86 Ų | 86 | 45.9 Ų | 45.9 | 89% | 0.887 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.2 | 0.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | P603 | P603-G605 PolarHBondContact O-N 3.42Š|
| 606 | Q | 77.9 | Confident | 86.6 | Confident | 127 Ų | 127 | 46.8 Ų | 46.8 | 59% | 0.593 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -103.4 | 148 | 166.8 | -67.5 | -177.4 | -10.1 | 0 | 0 | 110.3 | P603 S604 A608 | P603-Q606 HydrophobicContact CB-CG 4.44Å; P603-Q606 PolarHBondContact O-N 3.24Å; S604-Q606 VanDerWaalsContact C-N 3.33Å; Q606-A608 PolarHBondContact O-N 3.17Å |
| 607 | Q | 78.8 | Confident | 86.9 | Confident | 191 Ų | 191 | 45 Ų | 45 | 89% | 0.893 | 27% | 0.267 | S | S | * | . | P | Polyproline II helix | trans | -66.5 | 122.5 | 172.2 | -169.9 | 166.4 | -0.6 | 0 | 0 | 108.6 | ||
| 608 | A | 84.2 | Confident | 87.1 | Confident | 20 Ų | 20 | 45.2 Ų | 45.2 | 17% | 0.165 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -67.5 | 140.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | P598 D599 A602 Q606 | P598-A608 HydrophobicContact CB-CB 4.19Å; D599-A608 HydrophobicContact CB-CB 4.42Å; A602-A608 HydrophobicContact CB-CB 4.11Å; Q606-A608 PolarHBondContact O-N 3.17Å |
| 609 | L | 89 | Confident | 87.3 | Confident | 67 Ų | 67 | 47.8 Ų | 47.8 | 35% | 0.351 | 28% | 0.277 | S | S | . | . | P | Polyproline II helix | trans | -71.8 | 144.6 | 170.9 | -69.5 | 171.5 | 0 | 0 | 0 | 109.5 | C577 N579 D599 | C577-L609 HydrophobicContact CB-CB 4.07Å; C577-L609 HydrophobicContact CB-CD1 4.4Å; N579-L609 WeakPolarHBondContact OD1-CD2 3.49Å; D599-L609 PolarHBondContact N-O 3.1Å |
| 610 | D | 89.3 | Confident | 87.5 | Confident | 47 Ų | 47 | 46.2 Ų | 46.2 | 25% | 0.251 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 131.1 | 171.1 | -71.2 | -45.3 | 0 | 0 | 0 | 110 | C577 S578 T581 Y596 | C577-D610 CarbonylContact C-O 3.47Å; C577-D610 VanDerWaalsContact CA-O 3.26Å; C577-D610 WeakPolarHBondContact CA-O 3.4Å; S578-D610 PolarHBondContact N-O 2.97Å; T581-D610 WeakPolarHBondContact CB-O 3.48Å; T581-D610 HydrophobicContact CG2-CB 4.48Å; T581-D610 VanDerWaalsContact O-CB 3.31Å; T581-D610 WeakPolarHBondContact O-CB 3.31Å; Y596-D610 HydrophobicContact CE2-CB 3.81Å; Y596-D610 WeakPolarHBondContact CE2-OD1 3.35Å; Y596-D610 VanDerWaalsContact CZ-OD1 3.31Å; Y596-D610 PolarHBondContact OH-OD1 3.03Å |
| 611 | C | 91.1 | Very high | 87.7 | Confident | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.014 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 143.2 | -177.4 | -50.9 | 0 | 0 | 0 | 0 | 112.4 | N576 C577 M597 | N576-C611 WeakPolarHBondContact O-CA 3.18Å; C577-C611 HydrophobicContact CB-CB 4.02Å; C577-C611 WeakPolarHBondContact CB-SG 3.3Å; C577-C611 WeakPolarHBondContact SG-CB 3.28Å; C577-C611 CovalentContact SG-SG 2.03Å; C577-C611 PolarHBondContact SG-SG 3.36Å; M597-C611 PolarHBondContact N-O 3.38Å; M597-C611 WeakPolarHBondContact O-CA 3.25Å; M597-C611 WeakPolarHBondContact O-CB 3.28Å; M597-C611 PolarHBondContact O-N 3.49Å; M597-C611 VanDerWaalsContact O-O 3.12Å |
| 612 | C | 91.8 | Very high | 88 | Confident | 10 Ų | 10 | 44.4 Ų | 44.4 | 7% | 0.068 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 115 | 159.3 | -134.4 | 0 | 0 | 0 | 0 | 108.9 | K575 N576 T581 C586 | K575-C612 WeakPolarHBondContact CA-O 3.46Å; N576-C612 PolarHBondContact N-O 3.48Å; N576-C612 PolarHBondContact O-N 2.84Å; T581-C612 HydrophobicContact CG2-CB 4.42Å; C586-C612 WeakPolarHBondContact CA-SG 3.07Å; C586-C612 HydrophobicContact CB-CB 4.38Å; C586-C612 WeakPolarHBondContact CB-SG 3.5Å; C586-C612 WeakPolarHBondContact SG-CA 3.44Å; C586-C612 WeakPolarHBondContact SG-CB 3.37Å; C586-C612 CovalentContact SG-SG 2.04Å; C586-C612 PolarHBondContact SG-SG 3.25Å |
| 613 | L | 91.8 | Very high | 88.4 | Confident | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 117 | -178.4 | 178.2 | 69.4 | 0 | 0 | 0 | 109.4 | E569 T574 K575 C594 F595 M597 | E569-L613 HydrophobicContact CB-CD2 4.23Å; T574-L613 WeakPolarHBondContact O-CA 3.41Å; K575-L613 HydrophobicContact CD-CD1 4.17Å; K575-L613 HydrophobicContact CG-CD1 3.44Å; K575-L613 VanDerWaalsContact CG-CD1 3.44Å; C594-L613 CarbonylContact C-O 3.57Å; C594-L613 VanDerWaalsContact CA-O 3.26Å; C594-L613 WeakPolarHBondContact CA-O 3.38Å; F595-L613 HydrophobicContact CE1-CD2 4.32Å; F595-L613 HydrophobicContact CE2-CD2 3.83Å; F595-L613 HydrophobicContact CZ-CD2 3.58Å; F595-L613 HydrophobicContact CZ-CG 4.34Å; F595-L613 PolarHBondContact N-O 2.65Å; F595-L613 PolarHBondContact O-N 3.35Å; M597-L613 HydrophobicContact SD-CD2 3.9Å |
| 614 | C | 91.8 | Very high | 89.2 | Confident | 27 Ų | 27 | 43 Ų | 43 | 18% | 0.182 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 126.9 | 171.7 | -52.3 | 0 | 0 | 0 | 0 | 109.9 | G573 T574 S593 C594 | G573-C614 CarbonylContact C-O 3.49Å; G573-C614 WeakPolarHBondContact CA-O 3.27Å; T574-C614 PolarHBondContact N-O 2.67Å; T574-C614 PolarHBondContact O-N 2.72Å; T574-C614 PolarHBondContact OG1-O 3.09Å; S593-C614 WeakPolarHBondContact O-CA 3.43Å; C594-C614 HydrophobicContact CB-CB 4.1Å; C594-C614 WeakPolarHBondContact CB-SG 3.4Å; C594-C614 WeakPolarHBondContact SG-CB 3.31Å; C594-C614 CovalentContact SG-SG 2.04Å; C594-C614 PolarHBondContact SG-SG 3.29Å |
| 615 | T | 92.3 | Very high | 90.1 | Very high | 6 Ų | 6 | 38.3 Ų | 38.3 | 4% | 0.037 | 21% | 0.212 | C | C | . | . | trans | -139.4 | 145.6 | -169.9 | 178.8 | 0 | 0 | 0 | 0 | 112.9 | E569 S593 F595 V617 | E569-T615 HydrophobicContact CB-CG2 3.98Å; E569-T615 HydrophobicContact CG-CG2 3.81Å; S593-T615 WeakPolarHBondContact CB-O 3.43Å; S593-T615 PolarHBondContact O-N 2.92Å; F595-T615 HydrophobicContact CE1-CG2 3.63Å; F595-T615 HydrophobicContact CZ-CG2 4.38Å; T615-V617 WeakPolarHBondContact OG1-CG2 3.18Å; T615-V617 PolarHBondContact OG1-N 3.48Å; T615-V617 VanDerWaalsContact OG1-N 3.15Å | ||
| 616 | H | 92 | Very high | 91.1 | Very high | 75 Ų | 75 | 34.3 Ų | 34.3 | 35% | 0.347 | 17% | 0.171 | S | C | . | . | trans | -104.2 | 18.6 | 173.7 | -58.2 | -62.2 | 0 | 0 | 0 | 112.9 | F251 L351 M618 | F251-H616 HydrophobicContact CB-CB 4.18Å; F251-H616 AromaticContact CD1-CE1 3.95Å; F251-H616 AromaticContact CD1-ND1 3.96Å; F251-H616 HydrophobicContact CD2-CB 3.77Å; F251-H616 AromaticContact CD2-CG 3.8Å; F251-H616 AromaticContact CD2-ND1 3.87Å; F251-H616 HydrophobicContact CG-CB 4.12Å; F251-H616 AromaticContact CG-CG 3.7Å; F251-H616 AromaticContact CG-ND1 3.75Å; L351-H616 HydrophobicContact CD1-CB 4.44Å; H616-M618 PolarHBondContact O-N 2.93Å | ||
| 617 | V | 94.8 | Very high | 91.7 | Very high | 7 Ų | 7 | 30.3 Ų | 30.3 | 4% | 0.042 | 15% | 0.152 | C | C | . | . | trans | -65.9 | 131 | 169.3 | 176.2 | 0 | 0 | 0 | 0 | 109 | V245 F247 A568 E569 V572 T615 | V245-V617 HydrophobicContact CG1-CG1 3.77Å; F247-V617 HydrophobicContact CB-CG2 4.1Å; F247-V617 HydrophobicContact CD1-CG2 4Å; F247-V617 HydrophobicContact CG-CG2 4.34Å; A568-V617 HydrophobicContact CB-CG1 4.42Å; A568-V617 HydrophobicContact CB-CG2 4.18Å; E569-V617 HydrophobicContact CG-CB 3.78Å; E569-V617 HydrophobicContact CG-CG1 4.03Å; E569-V617 HydrophobicContact CG-CG2 4.15Å; V572-V617 HydrophobicContact CB-CG2 4.49Å; T615-V617 WeakPolarHBondContact OG1-CG2 3.18Å; T615-V617 PolarHBondContact OG1-N 3.48Å; T615-V617 VanDerWaalsContact OG1-N 3.15Å | ||
| 618 | M | 94.3 | Very high | 92.1 | Very high | 4 Ų | 4 | 23.3 Ų | 23.3 | 2% | 0.02 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 161.2 | -175.7 | -74.5 | -178.2 | -77.3 | 0 | 0 | 110.6 | F246 I248 P345 L351 H616 | F246-M618 HydrophobicContact CD1-CB 4.15Å; F246-M618 WeakPolarHBondContact CD1-O 3.3Å; F246-M618 HydrophobicContact CD2-CB 4.49Å; F246-M618 HydrophobicContact CD2-CE 4.34Å; F246-M618 HydrophobicContact CE1-CB 3.57Å; F246-M618 HydrophobicContact CE2-CB 3.98Å; F246-M618 HydrophobicContact CE2-CE 3.55Å; F246-M618 HydrophobicContact CE2-SD 4.27Å; F246-M618 HydrophobicContact CZ-CB 3.48Å; F246-M618 VanDerWaalsContact CZ-CB 3.48Å; F246-M618 HydrophobicContact CZ-CE 3.98Å; F246-M618 HydrophobicContact CZ-CG 4.37Å; F246-M618 HydrophobicContact CZ-SD 4.08Å; F246-M618 PolarHBondContact N-O 2.99Å; F246-M618 PolarHBondContact O-N 2.78Å; F246-M618 VanDerWaalsContact O-O 3.09Å; I248-M618 HydrophobicContact CD1-CE 4.28Å; I248-M618 HydrophobicContact CG1-CE 4.37Å; P345-M618 HydrophobicContact CB-SD 4.27Å; P345-M618 HydrophobicContact CG-CE 4.45Å; P345-M618 HydrophobicContact CG-SD 4.22Å; L351-M618 HydrophobicContact CD1-CG 3.59Å; L351-M618 HydrophobicContact CD1-SD 4.49Å; H616-M618 PolarHBondContact O-N 2.93Å |
| 619 | Y | 94 | Very high | 92 | Very high | 58 Ų | 58 | 24.7 Ų | 24.7 | 23% | 0.227 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 144.6 | 177.4 | -54.9 | -74.2 | 0 | 0 | 0 | 109.6 | L243 N244 V245 N349 S565 E569 | L243-Y619 HydrophobicContact CD1-CG 4.42Å; N244-Y619 WeakPolarHBondContact O-CA 3.4Å; V245-Y619 HydrophobicContact CG1-CE1 4.33Å; V245-Y619 HydrophobicContact CG2-CD1 4.17Å; V245-Y619 HydrophobicContact CG2-CE1 4.06Å; N349-Y619 PolarHBondContact ND2-O 3.08Å; N349-Y619 PolarHBondContact OD1-O 3.01Å; S565-Y619 WeakPolarHBondContact CB-OH 3.28Å; S565-Y619 WeakPolarHBondContact OG-CE1 3.38Å; E569-Y619 PolarHBondContact OE1-OH 3.2Å |
| 620 | S | 94.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 143.5 | 169.2 | 61.5 | 0 | 0 | 0 | 0 | 110.2 | L243 N244 A622 | L243-S620 CarbonylContact C-O 3.52Å; L243-S620 WeakPolarHBondContact CA-O 3.41Å; N244-S620 WeakPolarHBondContact CB-OG 3.33Å; N244-S620 PolarHBondContact N-O 2.97Å; N244-S620 PolarHBondContact ND2-OG 3.26Å; N244-S620 PolarHBondContact O-N 3.24Å; N244-S620 VanDerWaalsContact O-N 3.1Å; S620-A622 PolarHBondContact O-N 3.02Å |
| 621 | P | 93.7 | Very high | 90.3 | Very high | 20 Ų | 20 | 36.5 Ų | 36.5 | 13% | 0.13 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.7 | 128.9 | 179.9 | -26.6 | 33.7 | 0 | 0 | 0 | 112.6 | R334 | R334-P621 HydrophobicContact CG-CB 4.46Å; R334-P621 WeakPolarHBondContact CG-O 3.47Å |
| 622 | A | 94.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 74.3 | 163.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | E241 E242 H323 I330 S620 | E241-A622 VanDerWaalsContact CA-O 3.31Å; E241-A622 WeakPolarHBondContact CA-O 3.28Å; E242-A622 HydrophobicContact CB-CB 4.3Å; E242-A622 PolarHBondContact N-O 3.31Å; E242-A622 PolarHBondContact O-N 3.47Å; H323-A622 HydrophobicContact CB-CB 3.92Å; I330-A622 WeakPolarHBondContact CG2-O 3.41Å; S620-A622 PolarHBondContact O-N 3.02Å |
| 623 | K | 94.1 | Very high | 89 | Confident | 56 Ų | 56 | 43 Ų | 43 | 24% | 0.243 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 130.1 | 178.6 | 179.9 | -178.8 | -169.3 | 152.7 | 0 | 109 | E241 R334 | E241-K623 HydrophobicContact CB-CB 3.98Å; E241-K623 HydrophobicContact CB-CD 4.32Å; E241-K623 HydrophobicContact CB-CG 4.09Å; E241-K623 VanDerWaalsContact OE2-CD 3.31Å; E241-K623 WeakPolarHBondContact OE2-CD 3.48Å; E241-K623 WeakPolarHBondContact OE2-CE 2.98Å; E241-K623 IonicContact OE2-NZ 2.96Å; E241-K623 PolarHBondContact OE2-NZ 2.9Å; R334-K623 VanDerWaalsContact CB-O 3.29Å; R334-K623 WeakPolarHBondContact CB-O 3.36Å; R334-K623 WeakPolarHBondContact CD-O 3.32Å; R334-K623 WeakPolarHBondContact CG-O 3.49Å |
| 624 | S | 95 | Very high | 88.5 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | trans | -56.2 | 134.3 | -173.8 | 175.9 | 0 | 0 | 0 | 0 | 112.2 | A626 F627 Y639 S640 | S624-A626 PolarHBondContact O-N 3.41Å; S624-A626 VanDerWaalsContact O-N 3.09Å; S624-A626 WeakPolarHBondContact OG-CB 3.45Å; S624-A626 PolarHBondContact OG-N 3.31Å; S624-F627 PolarHBondContact O-N 2.92Å; S624-F627 VanDerWaalsContact O-N 3.12Å; S624-Y639 WeakPolarHBondContact OG-CB 3.43Å; S624-S640 WeakPolarHBondContact CB-O 3.43Å; S624-S640 PolarHBondContact OG-O 3.07Å | ||
| 625 | P | 94.3 | Very high | 88 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -54.3 | -25 | 171.4 | -27.9 | 36.7 | 0 | 0 | 0 | 114 | R334 W337 F627 A628 M629 Y639 | R334-P625 HydrophobicContact CB-CG 4.46Å; W337-P625 HydrophobicContact CB-CB 4.11Å; W337-P625 HydrophobicContact CB-CG 3.55Å; W337-P625 HydrophobicContact CD2-CB 4.01Å; W337-P625 HydrophobicContact CD2-CG 4.28Å; W337-P625 HydrophobicContact CG-CB 3.7Å; W337-P625 HydrophobicContact CG-CG 3.73Å; P625-F627 PolarHBondContact O-N 3.48Å; P625-A628 PolarHBondContact O-N 3.48Å; P625-M629 WeakPolarHBondContact O-CE 3.02Å; P625-M629 WeakPolarHBondContact O-CG 3.41Å; P625-M629 PolarHBondContact O-N 3.36Å; P625-Y639 HydrophobicContact CB-CD1 3.91Å; P625-Y639 HydrophobicContact CB-CD2 3.89Å; P625-Y639 HydrophobicContact CB-CE1 4.04Å; P625-Y639 HydrophobicContact CB-CE2 4.01Å; P625-Y639 HydrophobicContact CB-CG 3.84Å; P625-Y639 HydrophobicContact CG-CD1 3.63Å; P625-Y639 HydrophobicContact CG-CE1 3.76Å; P625-Y639 HydrophobicContact CG-CG 4.04Å |
| 626 | A | 93.6 | Very high | 87.5 | Confident | 3 Ų | 3 | 50.7 Ų | 50.7 | 3% | 0.025 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -53 | -29.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | S624 S637 S640 T641 | S624-A626 PolarHBondContact O-N 3.41Å; S624-A626 VanDerWaalsContact O-N 3.09Å; S624-A626 WeakPolarHBondContact OG-CB 3.45Å; S624-A626 PolarHBondContact OG-N 3.31Å; A626-S637 WeakPolarHBondContact CB-OG 3.34Å; A626-S640 WeakPolarHBondContact CB-O 3.38Å; A626-T641 HydrophobicContact CB-CG2 4.03Å |
| 627 | F | 90.9 | Very high | 87 | Confident | 43 Ų | 43 | 47.9 Ų | 47.9 | 19% | 0.189 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -98.4 | -2.5 | -178.3 | -51.8 | -60.9 | 0 | 0 | 0 | 114 | L221 P239 S624 P625 I634 V643 | L221-F627 HydrophobicContact CD1-CD1 3.88Å; L221-F627 HydrophobicContact CD1-CE1 3.62Å; P239-F627 HydrophobicContact CB-CD2 3.65Å; P239-F627 HydrophobicContact CB-CE2 3.7Å; P239-F627 HydrophobicContact CB-CG 4.17Å; P239-F627 HydrophobicContact CB-CZ 4.26Å; P239-F627 HydrophobicContact CG-CB 4.39Å; P239-F627 HydrophobicContact CG-CD1 4.17Å; P239-F627 HydrophobicContact CG-CD2 3.93Å; P239-F627 HydrophobicContact CG-CE1 4.42Å; P239-F627 HydrophobicContact CG-CE2 4.18Å; P239-F627 HydrophobicContact CG-CG 3.91Å; P239-F627 HydrophobicContact CG-CZ 4.4Å; S624-F627 PolarHBondContact O-N 2.92Å; S624-F627 VanDerWaalsContact O-N 3.12Å; P625-F627 PolarHBondContact O-N 3.48Å; F627-I634 HydrophobicContact CD1-CD1 4.39Å; F627-I634 HydrophobicContact CE1-CD1 4.45Å; F627-V643 HydrophobicContact CE1-CG1 3.92Å; F627-V643 HydrophobicContact CZ-CG1 3.66Å |
| 628 | A | 86.3 | Confident | 86.6 | Confident | 43 Ų | 43 | 52.9 Ų | 52.9 | 36% | 0.355 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.9 | -17.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | W337 P625 | W337-A628 HydrophobicContact CH2-CB 4.41Å; P625-A628 PolarHBondContact O-N 3.48Å |
| 629 | M | 82.9 | Confident | 86.6 | Confident | 49 Ų | 49 | 55.1 Ų | 55.1 | 24% | 0.241 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -79.3 | 122 | 178 | -65.3 | -179.7 | -73.9 | 0 | 0 | 110.2 | W337 P625 H632 Y639 | W337-M629 HydrophobicContact CZ2-CG 4.12Å; P625-M629 WeakPolarHBondContact O-CE 3.02Å; P625-M629 WeakPolarHBondContact O-CG 3.41Å; P625-M629 PolarHBondContact O-N 3.36Å; M629-H632 HydrophobicContact CB-CB 3.5Å; M629-H632 HydrophobicContact CE-CB 4.32Å; M629-H632 VanDerWaalsContact CE-CD2 3.45Å; M629-H632 WeakPolarHBondContact CE-CD2 3.2Å; M629-Y639 HydrophobicContact CE-CD2 3.67Å; M629-Y639 HydrophobicContact CE-CE2 3.88Å; M629-Y639 HydrophobicContact SD-CE2 4.36Å |
| 630 | E | 74.7 | Confident | 86.7 | Confident | 185 Ų | 185 | 52.4 Ų | 52.4 | 86% | 0.864 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | 140.8 | 171.1 | -69 | -178.4 | 170.8 | 0 | 0 | 110.5 | H632 | E630-H632 PolarHBondContact O-N 2.88Š|
| 631 | D | 69.1 | Low | 86.7 | Confident | 177 Ų | 177 | 52.6 Ų | 52.6 | 95% | 0.947 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 15.9 | 179.1 | -59.9 | -35.3 | 0 | 0 | 0 | 116.3 | ||
| 632 | H | 76 | Confident | 86.8 | Confident | 64 Ų | 64 | 52.3 Ų | 52.3 | 30% | 0.296 | 28% | 0.275 | S | S | . | . | trans | -81.5 | 133.2 | 179.4 | -177.4 | 68.8 | 0 | 0 | 0 | 112.1 | M629 E630 I634 S637 | M629-H632 HydrophobicContact CB-CB 3.5Å; M629-H632 HydrophobicContact CE-CB 4.32Å; M629-H632 VanDerWaalsContact CE-CD2 3.45Å; M629-H632 WeakPolarHBondContact CE-CD2 3.2Å; E630-H632 PolarHBondContact O-N 2.88Å; H632-I634 PolarHBondContact O-N 3.28Å; H632-I634 VanDerWaalsContact O-N 3.12Å; H632-S637 WeakPolarHBondContact NE2-CA 3.37Å; H632-S637 WeakPolarHBondContact NE2-CB 3.36Å | ||
| 633 | D | 79.6 | Confident | 86.8 | Confident | 84 Ų | 84 | 52.3 Ų | 52.3 | 45% | 0.449 | 28% | 0.275 | S | S | . | . | trans | -76.7 | 103.2 | 174.1 | -172.7 | -0.9 | 0 | 0 | 0 | 110.4 | V635 T636 S637 | D633-V635 PolarHBondContact O-N 3.45Å; D633-V635 VanDerWaalsContact OD1-CB 3.29Å; D633-V635 WeakPolarHBondContact OD1-CB 3.47Å; D633-V635 WeakPolarHBondContact OD1-CG2 3.39Å; D633-V635 PolarHBondContact OD1-N 3.2Å; D633-T636 PolarHBondContact O-N 2.97Å; D633-T636 PolarHBondContact O-OG1 3.38Å; D633-S637 PolarHBondContact O-N 2.91Å | ||
| 634 | I | 80.7 | Confident | 86.8 | Confident | 29 Ų | 29 | 49.7 Ų | 49.7 | 15% | 0.149 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -49.9 | -32.1 | 175 | -62.3 | 176.6 | 0 | 0 | 0 | 111.4 | V218 L221 F627 H632 T636 S637 T641 | V218-I634 HydrophobicContact CG2-CB 4.02Å; V218-I634 HydrophobicContact CG2-CG2 4Å; L221-I634 HydrophobicContact CD1-CD1 3.91Å; F627-I634 HydrophobicContact CD1-CD1 4.39Å; F627-I634 HydrophobicContact CE1-CD1 4.45Å; H632-I634 PolarHBondContact O-N 3.28Å; H632-I634 VanDerWaalsContact O-N 3.12Å; I634-T636 VanDerWaalsContact C-N 3.33Å; I634-T636 PolarHBondContact O-N 3.2Å; I634-S637 WeakPolarHBondContact O-CB 3.37Å; I634-S637 PolarHBondContact O-N 3.06Å; I634-T641 HydrophobicContact CG2-CG2 3.55Å |
| 635 | V | 81.4 | Confident | 86.7 | Confident | 75 Ų | 75 | 49.7 Ų | 49.7 | 46% | 0.455 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -65.5 | -36.4 | -179.9 | -175.8 | 0 | 0 | 0 | 0 | 112.1 | V218 D633 | V218-V635 HydrophobicContact CG2-CG2 3.79Å; D633-V635 PolarHBondContact O-N 3.45Å; D633-V635 VanDerWaalsContact OD1-CB 3.29Å; D633-V635 WeakPolarHBondContact OD1-CB 3.47Å; D633-V635 WeakPolarHBondContact OD1-CG2 3.39Å; D633-V635 PolarHBondContact OD1-N 3.2Å |
| 636 | T | 80.7 | Confident | 86.6 | Confident | 93 Ų | 93 | 51.6 Ų | 51.6 | 57% | 0.571 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -97.4 | 4.7 | -177.1 | 66.6 | 0 | 0 | 0 | 0 | 113.3 | D633 I634 | D633-T636 PolarHBondContact O-N 2.97Å; D633-T636 PolarHBondContact O-OG1 3.38Å; I634-T636 VanDerWaalsContact C-N 3.33Å; I634-T636 PolarHBondContact O-N 3.2Å |
| 637 | S | 81.9 | Confident | 86.2 | Confident | 15 Ų | 15 | 54 Ų | 54 | 11% | 0.105 | 29% | 0.285 | C | S | . | . | trans | -61.6 | 134 | -179.6 | -174.4 | 0 | 0 | 0 | 0 | 112.2 | A626 H632 D633 I634 Y639 | A626-S637 WeakPolarHBondContact CB-OG 3.34Å; H632-S637 WeakPolarHBondContact NE2-CA 3.37Å; H632-S637 WeakPolarHBondContact NE2-CB 3.36Å; D633-S637 PolarHBondContact O-N 2.91Å; I634-S637 WeakPolarHBondContact O-CB 3.37Å; I634-S637 PolarHBondContact O-N 3.06Å; S637-Y639 WeakPolarHBondContact OG-CB 3.43Å; S637-Y639 PolarHBondContact OG-N 3.11Å; S637-Y639 PolarHBondContact OG-O 3.35Å | ||
| 638 | N | 87.3 | Confident | 85.8 | Confident | 112 Ų | 112 | 54 Ų | 54 | 60% | 0.599 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -83.8 | 0.4 | 166.8 | -64.6 | -38.9 | 0 | 0 | 0 | 112.5 | ||
| 639 | Y | 94 | Very high | 85.7 | Confident | 52 Ų | 52 | 59 Ų | 59 | 20% | 0.204 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -103 | 154 | 176.9 | -58.5 | -78 | 0 | 0 | 0 | 110.9 | W337 S624 P625 M629 S637 T641 | W337-Y639 AromaticContact CD1-CZ 3.87Å; S624-Y639 WeakPolarHBondContact OG-CB 3.43Å; P625-Y639 HydrophobicContact CB-CD1 3.91Å; P625-Y639 HydrophobicContact CB-CD2 3.89Å; P625-Y639 HydrophobicContact CB-CE1 4.04Å; P625-Y639 HydrophobicContact CB-CE2 4.01Å; P625-Y639 HydrophobicContact CB-CG 3.84Å; P625-Y639 HydrophobicContact CG-CD1 3.63Å; P625-Y639 HydrophobicContact CG-CE1 3.76Å; P625-Y639 HydrophobicContact CG-CG 4.04Å; M629-Y639 HydrophobicContact CE-CD2 3.67Å; M629-Y639 HydrophobicContact CE-CE2 3.88Å; M629-Y639 HydrophobicContact SD-CE2 4.36Å; S637-Y639 WeakPolarHBondContact OG-CB 3.43Å; S637-Y639 PolarHBondContact OG-N 3.11Å; S637-Y639 PolarHBondContact OG-O 3.35Å; Y639-T641 WeakPolarHBondContact O-CG2 3.33Å |
| 640 | S | 95 | Very high | 86 | Confident | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.007 | 31% | 0.311 | C | S | . | . | trans | -46.1 | 140.8 | 175 | 178.5 | 0 | 0 | 0 | 0 | 113 | F327 D328 I330 S624 A626 W642 | F327-S640 WeakPolarHBondContact O-CB 3.33Å; F327-S640 PolarHBondContact O-OG 2.94Å; D328-S640 WeakPolarHBondContact O-CB 3.41Å; I330-S640 WeakPolarHBondContact CG1-OG 3.29Å; S624-S640 WeakPolarHBondContact CB-O 3.43Å; S624-S640 PolarHBondContact OG-O 3.07Å; A626-S640 WeakPolarHBondContact CB-O 3.38Å; S640-W642 VanDerWaalsContact OG-CD1 3.3Å | ||
| 641 | T | 95.5 | Very high | 86.9 | Confident | 4 Ų | 4 | 52.8 Ų | 52.8 | 3% | 0.025 | 29% | 0.288 | C | S | . | . | trans | -127.6 | 21.4 | -178.7 | 56 | 0 | 0 | 0 | 0 | 112.6 | S43 A626 I634 Y639 V643 | S43-T641 WeakPolarHBondContact CB-OG1 3.33Å; S43-T641 PolarHBondContact N-OG1 3.44Å; A626-T641 HydrophobicContact CB-CG2 4.03Å; I634-T641 HydrophobicContact CG2-CG2 3.55Å; Y639-T641 WeakPolarHBondContact O-CG2 3.33Å; T641-V643 PolarHBondContact O-N 3.26Å | ||
| 642 | W | 95.1 | Very high | 88.1 | Confident | 14 Ų | 14 | 44.6 Ų | 44.6 | 5% | 0.053 | 24% | 0.243 | C | C | . | . | trans | -68.4 | 126 | -178.6 | -68 | 107.5 | 0 | 0 | 0 | 112.1 | L40 L41 N42 V47 F162 L240 F327 D328 S640 | L40-W642 HydrophobicContact CB-CE3 4.08Å; L40-W642 HydrophobicContact CB-CZ3 4.19Å; L41-W642 WeakPolarHBondContact O-CA 3.22Å; N42-W642 HydrophobicContact CB-CD2 4.15Å; N42-W642 HydrophobicContact CB-CE3 3.89Å; N42-W642 HydrophobicContact CB-CH2 4.13Å; N42-W642 HydrophobicContact CB-CZ2 4.36Å; N42-W642 HydrophobicContact CB-CZ3 3.88Å; V47-W642 HydrophobicContact CG2-CH2 4.23Å; V47-W642 HydrophobicContact CG2-CZ3 3.76Å; F162-W642 AromaticContact CD1-CH2 3.75Å; F162-W642 HydrophobicContact CD1-CH2 3.75Å; F162-W642 HydrophobicContact CD1-CZ2 4.06Å; F162-W642 HydrophobicContact CE1-CH2 4.03Å; F162-W642 AromaticContact CE1-CZ2 3.93Å; F162-W642 HydrophobicContact CE1-CZ2 3.93Å; L240-W642 HydrophobicContact CD1-CB 3.66Å; L240-W642 HydrophobicContact CG-CB 4.2Å; L240-W642 PolarHBondContact N-O 3.45Å; F327-W642 HydrophobicContact CB-CG 4.26Å; F327-W642 HydrophobicContact CD1-CB 4.48Å; F327-W642 HydrophobicContact CD1-CD2 4.22Å; F327-W642 HydrophobicContact CD1-CG 4Å; D328-W642 PolarHBondContact OD2-NE1 3.13Å; S640-W642 VanDerWaalsContact OG-CD1 3.3Å | ||
| 643 | V | 94.7 | Very high | 89 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 143.5 | 169.3 | -55.1 | 0 | 0 | 0 | 0 | 108.7 | L40 L41 A217 L221 C237 L238 F627 T641 | L40-V643 CarbonylContact C-O 3.6Å; L40-V643 WeakPolarHBondContact CA-O 3.49Å; L41-V643 HydrophobicContact CB-CG2 3.7Å; L41-V643 HydrophobicContact CD1-CG2 3.85Å; L41-V643 HydrophobicContact CG-CG2 4.34Å; L41-V643 PolarHBondContact N-O 2.88Å; L41-V643 PolarHBondContact O-N 3.49Å; A217-V643 HydrophobicContact CB-CG1 4.04Å; A217-V643 HydrophobicContact CB-CG2 3.66Å; L221-V643 HydrophobicContact CD1-CG1 4.07Å; L221-V643 HydrophobicContact CD2-CG1 4.3Å; L221-V643 HydrophobicContact CG-CG1 4.28Å; C237-V643 HydrophobicContact CB-CB 4.27Å; C237-V643 HydrophobicContact CB-CG2 4.04Å; L238-V643 CarbonylContact O-C 3.57Å; L238-V643 WeakPolarHBondContact O-CA 3.48Å; L238-V643 VanDerWaalsContact O-CB 3.32Å; L238-V643 WeakPolarHBondContact O-CB 3.37Å; F627-V643 HydrophobicContact CE1-CG1 3.92Å; F627-V643 HydrophobicContact CZ-CG1 3.66Å; T641-V643 PolarHBondContact O-N 3.26Å |
| 644 | E | 94.3 | Very high | 89.9 | Confident | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 142.5 | 174.8 | 172.7 | 180 | -164.6 | 0 | 0 | 110 | L40 C237 L238 L240 N277 Y549 H551 L552 | L40-E644 HydrophobicContact CD2-CB 3.41Å; L40-E644 VanDerWaalsContact CD2-CB 3.41Å; L40-E644 HydrophobicContact CD2-CG 3.73Å; C237-E644 CarbonylContact C-O 3.58Å; C237-E644 WeakPolarHBondContact CA-O 3.47Å; C237-E644 WeakPolarHBondContact CB-O 3.41Å; L238-E644 PolarHBondContact N-O 3.25Å; L238-E644 PolarHBondContact O-N 2.96Å; L240-E644 HydrophobicContact CD2-CB 3.68Å; N277-E644 PolarHBondContact ND2-OE1 3.46Å; Y549-E644 PolarHBondContact OH-OE2 2.77Å; H551-E644 IonicContact CE1-OE1 2.97Å; H551-E644 IonicContact CE1-OE2 3.3Å; H551-E644 IonicContact ND1-OE1 3.68Å; H551-E644 IonicContact ND1-OE2 2.77Å; H551-E644 PolarHBondContact ND1-OE2 3.23Å; L552-E644 HydrophobicContact CD1-CB 4.16Å; L552-E644 HydrophobicContact CD1-CG 3.71Å; L552-E644 HydrophobicContact CD2-CB 3.49Å; L552-E644 VanDerWaalsContact CD2-CB 3.49Å; L552-E644 HydrophobicContact CD2-CG 3.99Å; L552-E644 VanDerWaalsContact CD2-O 3.3Å; L552-E644 WeakPolarHBondContact CD2-O 3.28Å; L552-E644 HydrophobicContact CG-CB 3.72Å; L552-E644 HydrophobicContact CG-CG 3.8Å; L552-E644 VanDerWaalsContact CG-OE2 3.31Å; L552-E644 WeakPolarHBondContact CG-OE2 3.38Å |
| 645 | S | 93.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 137.8 | 174.6 | -174.8 | 0 | 0 | 0 | 0 | 110.3 | R39 N211 H212 A213 | R39-S645 WeakPolarHBondContact O-CB 3.46Å; R39-S645 PolarHBondContact O-N 2.89Å; N211-S645 WeakPolarHBondContact CB-OG 3.43Å; H212-S645 PolarHBondContact N-OG 3.32Å; A213-S645 WeakPolarHBondContact CB-OG 3.38Å; A213-S645 PolarHBondContact N-OG 2.88Å |
| 646 | V | 90.4 | Very high | 91.3 | Very high | 39 Ų | 39 | 40.2 Ų | 40.2 | 24% | 0.236 | 22% | 0.215 | C | C | . | . | P | Polyproline II helix | trans | -68 | 138.1 | 158.7 | -176.8 | 0 | 0 | 0 | 0 | 107.3 | H212 L235 F236 | H212-V646 WeakPolarHBondContact CB-O 3.3Å; H212-V646 PolarHBondContact CD2-O 2.92Å; H212-V646 VanDerWaalsContact CD2-O 3.24Å; H212-V646 PolarHBondContact N-O 2.94Å; L235-V646 HydrophobicContact CB-CG2 4.35Å; L235-V646 WeakPolarHBondContact O-CB 3.36Å; L235-V646 WeakPolarHBondContact O-CG2 3.24Å; F236-V646 PolarHBondContact O-N 3.39Å |
| 647 | F | 85.9 | Confident | 91.9 | Very high | 53 Ų | 53 | 37 Ų | 37 | 23% | 0.232 | 20% | 0.196 | C | C | . | . | B | Isolated β-bridge | trans | -128 | 152.1 | 179.1 | 57.9 | -89.5 | 0 | 0 | 0 | 111.4 | T38 F210 T650 | T38-F647 HydrophobicContact CG2-CD1 3.91Å; T38-F647 HydrophobicContact CG2-CE1 3.66Å; T38-F647 HydrophobicContact CG2-CZ 4.13Å; F210-F647 WeakPolarHBondContact O-CA 3.44Å; F647-T650 HydrophobicContact CD2-CG2 3.69Å; F647-T650 HydrophobicContact CE2-CG2 3.88Å |
| 648 | S | 83.2 | Confident | 92.3 | Very high | 45 Ų | 45 | 39.1 Ų | 39.1 | 32% | 0.315 | 21% | 0.208 | S | C | . | . | trans | -75.3 | 174.6 | 175 | -68.9 | 0 | 0 | 0 | 0 | 111.5 | F210 H212 T650 | F210-S648 PolarHBondContact O-N 2.81Å; H212-S648 PolarHBondContact CE1-OG 2.83Å; H212-S648 VanDerWaalsContact CE1-OG 3.31Å; H212-S648 PolarHBondContact NE2-OG 2.88Å; S648-T650 PolarHBondContact O-N 2.78Å | ||
| 649 | I | 83.3 | Confident | 92.4 | Very high | 147 Ų | 147 | 35 Ų | 35 | 75% | 0.754 | 19% | 0.188 | S | C | * | . | trans | -51.1 | 129.8 | 174.8 | -60 | 171 | 0 | 0 | 0 | 109.9 | T651 | I649-T651 HydrophobicContact CG2-CG2 4.12Š| ||
| 650 | T | 89.6 | Confident | 92 | Very high | 45 Ų | 45 | 36.8 Ų | 36.8 | 28% | 0.276 | 21% | 0.208 | S | C | . | . | trans | -95 | 133.1 | -179.3 | 54.6 | 0 | 0 | 0 | 0 | 110 | P36 Y170 V208 T209 F647 S648 | P36-T650 HydrophobicContact CB-CG2 4.16Å; P36-T650 HydrophobicContact CG-CG2 3.93Å; Y170-T650 WeakPolarHBondContact OH-CB 3.35Å; V208-T650 WeakPolarHBondContact O-CA 3.43Å; T209-T650 HydrophobicContact CG2-CG2 3.93Å; F647-T650 HydrophobicContact CD2-CG2 3.69Å; F647-T650 HydrophobicContact CE2-CG2 3.88Å; S648-T650 PolarHBondContact O-N 2.78Å | ||
| 651 | T | 93.1 | Very high | 91.7 | Very high | 59 Ų | 59 | 45.2 Ų | 45.2 | 36% | 0.362 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 145.9 | -180 | 62.1 | 0 | 0 | 0 | 0 | 111.3 | V208 I649 | V208-T651 WeakPolarHBondContact CB-OG1 3.39Å; V208-T651 VanDerWaalsContact CG2-OG1 3.27Å; V208-T651 WeakPolarHBondContact CG2-OG1 3.5Å; V208-T651 PolarHBondContact N-O 3.42Å; V208-T651 PolarHBondContact O-N 3.11Å; V208-T651 VanDerWaalsContact O-N 3.15Å; I649-T651 HydrophobicContact CG2-CG2 4.12Å |
| 652 | M | 95.3 | Very high | 91.4 | Very high | 4 Ų | 4 | 52.5 Ų | 52.5 | 2% | 0.02 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 136.1 | 170.1 | 175.3 | 164.1 | 59 | 0 | 0 | 109.2 | L31 I110 L172 E206 L207 | L31-M652 HydrophobicContact CB-CB 4.19Å; L31-M652 HydrophobicContact CB-CE 3.53Å; L31-M652 HydrophobicContact CB-CG 3.97Å; L31-M652 HydrophobicContact CB-SD 4.46Å; L31-M652 HydrophobicContact CD1-CE 3.54Å; L31-M652 HydrophobicContact CD1-CG 3.75Å; L31-M652 HydrophobicContact CD1-SD 3.76Å; L31-M652 HydrophobicContact CG-CE 4.14Å; L31-M652 HydrophobicContact CG-CG 4.13Å; L31-M652 PolarHBondContact N-O 3.33Å; I110-M652 HydrophobicContact CD1-SD 3.5Å; I110-M652 VanDerWaalsContact CD1-SD 3.5Å; I110-M652 HydrophobicContact CG1-SD 4Å; L172-M652 HydrophobicContact CD1-CE 3.83Å; L172-M652 HydrophobicContact CD2-CE 3.39Å; L172-M652 HydrophobicContact CG-CE 3.83Å; E206-M652 WeakPolarHBondContact O-CA 3.44Å; L207-M652 HydrophobicContact CD2-CB 3.97Å; L207-M652 HydrophobicContact CD2-CG 3.45Å; L207-M652 VanDerWaalsContact CD2-CG 3.45Å; L207-M652 HydrophobicContact CD2-SD 3.52Å; L207-M652 VanDerWaalsContact CD2-SD 3.52Å |
| 653 | R | 95.3 | Very high | 91.3 | Very high | 44 Ų | 44 | 56.8 Ų | 56.8 | 17% | 0.166 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 148.5 | 176.9 | 62.1 | -178.3 | 178.1 | 168 | -11.2 | 112.7 | Y28 I29 A205 E206 | Y28-R653 HydrophobicContact CD1-CG 4.19Å; I29-R653 CarbonylContact O-C 3.5Å; I29-R653 WeakPolarHBondContact O-CA 3.5Å; I29-R653 WeakPolarHBondContact O-CB 3.24Å; A205-R653 CarbonylContact C-O 3.49Å; A205-R653 VanDerWaalsContact CA-O 3.3Å; A205-R653 WeakPolarHBondContact CA-O 3.34Å; E206-R653 HydrophobicContact CB-CG 3.85Å; E206-R653 PolarHBondContact N-O 2.9Å; E206-R653 PolarHBondContact O-N 3.04Å; E206-R653 IonicContact OE1-CZ 3.45Å; E206-R653 IonicContact OE1-NE 3.52Å; E206-R653 IonicContact OE1-NH2 3.51Å; E206-R653 PolarHBondContact OE1-NH2 3.34Å; E206-R653 IonicContact OE2-CZ 3.03Å; E206-R653 IonicContact OE2-NE 2.67Å; E206-R653 PolarHBondContact OE2-NE 3.33Å; E206-R653 IonicContact OE2-NH2 3.18Å; E206-R653 PolarHBondContact OE2-NH2 2.87Å |
| 654 | L | 96.9 | Very high | 91.2 | Very high | 5 Ų | 5 | 61.3 Ų | 61.3 | 3% | 0.026 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 148.5 | 173.7 | -56.2 | 176.7 | 0 | 0 | 0 | 110.5 | Y28 I29 L31 V60 L180 I181 C185 A204 A205 | Y28-L654 WeakPolarHBondContact CA-O 3.02Å; I29-L654 HydrophobicContact CB-CB 4.47Å; I29-L654 PolarHBondContact N-O 2.92Å; I29-L654 PolarHBondContact O-N 3.43Å; L31-L654 HydrophobicContact CD1-CD1 4.29Å; L31-L654 HydrophobicContact CD1-CD2 4.44Å; L31-L654 HydrophobicContact CD1-CG 4.12Å; L31-L654 HydrophobicContact CD2-CD1 4.37Å; L31-L654 HydrophobicContact CG-CG 4.45Å; V60-L654 HydrophobicContact CG2-CD2 4.31Å; L180-L654 HydrophobicContact CD2-CD1 4.15Å; L180-L654 HydrophobicContact CG-CD1 4.09Å; I181-L654 HydrophobicContact CG1-CD1 3.75Å; I181-L654 HydrophobicContact CG1-CD2 4.23Å; I181-L654 HydrophobicContact CG1-CG 4.44Å; C185-L654 HydrophobicContact CB-CD1 4.29Å; A204-L654 WeakPolarHBondContact O-CA 3.36Å; A205-L654 HydrophobicContact CB-CD2 3.75Å |
| 655 | F | 96.8 | Very high | 91.3 | Very high | 27 Ų | 27 | 63.5 Ų | 63.5 | 12% | 0.118 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.2 | 164.6 | 173.1 | 55.3 | -80.7 | 0 | 0 | 0 | 111.2 | I27 Y28 V57 A204 E206 V657 | I27-F655 HydrophobicContact CG2-CB 4.14Å; I27-F655 WeakPolarHBondContact O-CA 3.3Å; I27-F655 WeakPolarHBondContact O-CB 3.43Å; Y28-F655 HydrophobicContact CD1-CB 3.71Å; Y28-F655 AromaticContact CD1-CD1 3.65Å; Y28-F655 HydrophobicContact CD1-CD1 3.65Å; Y28-F655 HydrophobicContact CD1-CE1 4.47Å; Y28-F655 AromaticContact CD1-CG 3.84Å; Y28-F655 HydrophobicContact CD1-CG 3.84Å; Y28-F655 HydrophobicContact CE1-CB 3.95Å; Y28-F655 AromaticContact CE1-CD1 3.6Å; Y28-F655 HydrophobicContact CE1-CD1 3.6Å; Y28-F655 HydrophobicContact CE1-CD2 4.26Å; Y28-F655 HydrophobicContact CE1-CE1 4.11Å; Y28-F655 AromaticContact CE1-CG 3.68Å; Y28-F655 HydrophobicContact CE1-CG 3.68Å; V57-F655 HydrophobicContact CG1-CE1 4.45Å; V57-F655 HydrophobicContact CG1-CE2 4.34Å; V57-F655 HydrophobicContact CG1-CZ 3.59Å; V57-F655 HydrophobicContact CG2-CZ 4.23Å; A204-F655 HydrophobicContact CB-CE2 4.2Å; A204-F655 HydrophobicContact CB-CZ 4.26Å; A204-F655 PolarHBondContact N-O 2.94Å; A204-F655 PolarHBondContact O-N 3.36Å; E206-F655 HydrophobicContact CB-CE1 3.91Å; F655-V657 HydrophobicContact CD2-CG1 3.82Å; F655-V657 HydrophobicContact CE2-CG1 3.48Å; F655-V657 VanDerWaalsContact CE2-CG1 3.48Å |
| 656 | L | 95.8 | Very high | 91.4 | Very high | 84 Ų | 84 | 67.8 Ų | 67.8 | 44% | 0.44 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 137.1 | 175 | -64.2 | -179 | 0 | 0 | 0 | 111 | P201 L202 C203 | P201-L656 HydrophobicContact CB-CB 4.14Å; P201-L656 HydrophobicContact CB-CD1 4.41Å; P201-L656 HydrophobicContact CG-CD1 4.19Å; L202-L656 CarbonylContact O-C 3.53Å; L202-L656 WeakPolarHBondContact O-CA 3.12Å; C203-L656 HydrophobicContact CB-CD2 3.95Å |
| 657 | V | 93.4 | Very high | 91.7 | Very high | 27 Ų | 27 | 71 Ų | 71 | 16% | 0.164 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 148.8 | 175 | -65.7 | 0 | 0 | 0 | 0 | 110.7 | I59 Y200 P201 L202 A204 F655 | I59-V657 HydrophobicContact CD1-CG2 3.56Å; Y200-V657 WeakPolarHBondContact CD1-O 3.34Å; Y200-V657 HydrophobicContact CE1-CG2 4.42Å; P201-V657 VanDerWaalsContact CA-O 3.29Å; P201-V657 WeakPolarHBondContact CA-O 3.39Å; P201-V657 WeakPolarHBondContact CB-O 3.33Å; L202-V657 HydrophobicContact CB-CG2 3.85Å; L202-V657 PolarHBondContact N-O 3.46Å; L202-V657 VanDerWaalsContact N-O 3.09Å; L202-V657 WeakPolarHBondContact O-CG2 3.28Å; L202-V657 PolarHBondContact O-N 3.36Å; A204-V657 HydrophobicContact CB-CG1 3.66Å; A204-V657 HydrophobicContact CB-CG2 4.17Å; F655-V657 HydrophobicContact CD2-CG1 3.82Å; F655-V657 HydrophobicContact CE2-CG1 3.48Å; F655-V657 VanDerWaalsContact CE2-CG1 3.48Å |
| 658 | T | 90.8 | Very high | 92.2 | Very high | 59 Ų | 59 | 72.9 Ų | 72.9 | 36% | 0.362 | 38% | 0.383 | S | S | . | . | trans | -102.6 | 168.1 | 174.2 | 57.8 | 0 | 0 | 0 | 0 | 110.5 | Y200 Q663 | Y200-T658 WeakPolarHBondContact CE1-O 3.26Å; T658-Q663 WeakPolarHBondContact OG1-CG 3.32Å; T658-Q663 PolarHBondContact OG1-NE2 3.36Å | ||
| 659 | S | 88.5 | Confident | 92.9 | Very high | 26 Ų | 26 | 73.9 Ų | 73.9 | 18% | 0.182 | 39% | 0.39 | C | S | . | . | trans | -67.4 | 145.3 | 177.7 | 75.3 | 0 | 0 | 0 | 0 | 111.7 | Y200 K661 W662 Q663 | Y200-S659 VanDerWaalsContact CZ-CA 3.42Å; S659-K661 PolarHBondContact O-N 3.49Å; S659-W662 WeakPolarHBondContact O-CB 3.28Å; S659-W662 PolarHBondContact O-N 3.32Å; S659-W662 VanDerWaalsContact OG-CB 3.28Å; S659-W662 WeakPolarHBondContact OG-CB 3.48Å; S659-W662 PolarHBondContact OG-N 3.4Å; S659-Q663 PolarHBondContact O-N 3.4Å | ||
| 660 | S | 85.9 | Confident | 93.6 | Very high | 89 Ų | 89 | 68.8 Ų | 68.8 | 62% | 0.622 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -58 | -32.1 | 173.3 | -48.6 | 0 | 0 | 0 | 0 | 111.9 | Q663 L664 | S660-Q663 PolarHBondContact O-N 3.32Å; S660-L664 WeakPolarHBondContact O-CB 3.47Å; S660-L664 PolarHBondContact O-N 3.23Å |
| 661 | K | 87.9 | Confident | 93.9 | Very high | 178 Ų | 178 | 70.3 Ų | 70.3 | 77% | 0.774 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -63.6 | -41.4 | 174.2 | -65 | -176.8 | -178.2 | 178 | 0 | 111.8 | S659 L664 A665 | S659-K661 PolarHBondContact O-N 3.49Å; K661-L664 PolarHBondContact O-N 3.47Å; K661-A665 WeakPolarHBondContact O-CB 3.27Å; K661-A665 PolarHBondContact O-N 2.87Å |
| 662 | W | 90.1 | Very high | 94.2 | Very high | 157 Ų | 157 | 72.1 Ų | 72.1 | 60% | 0.595 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -69.7 | -41 | 177.8 | -171.3 | -109.7 | 0 | 0 | 0 | 112 | S659 L664 A665 I666 | S659-W662 WeakPolarHBondContact O-CB 3.28Å; S659-W662 PolarHBondContact O-N 3.32Å; S659-W662 VanDerWaalsContact OG-CB 3.28Å; S659-W662 WeakPolarHBondContact OG-CB 3.48Å; S659-W662 PolarHBondContact OG-N 3.4Å; W662-L664 VanDerWaalsContact C-N 3.31Å; W662-L664 PolarHBondContact O-N 3.47Å; W662-A665 PolarHBondContact O-N 2.79Å; W662-I666 HydrophobicContact CG-CD1 4.44Å; W662-I666 WeakPolarHBondContact O-CG1 3.37Å; W662-I666 PolarHBondContact O-N 3.17Å |
| 663 | Q | 91.5 | Very high | 94.3 | Very high | 103 Ų | 103 | 75.8 Ų | 75.8 | 48% | 0.481 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -60.2 | -43.3 | 174.1 | -66 | 175 | 5.3 | 0 | 0 | 111.5 | T658 S659 S660 I666 L667 | T658-Q663 WeakPolarHBondContact OG1-CG 3.32Å; T658-Q663 PolarHBondContact OG1-NE2 3.36Å; S659-Q663 PolarHBondContact O-N 3.4Å; S660-Q663 PolarHBondContact O-N 3.32Å; Q663-I666 PolarHBondContact O-N 3.39Å; Q663-L667 PolarHBondContact O-N 2.87Å |
| 664 | L | 94.2 | Very high | 94.4 | Very high | 96 Ų | 96 | 80.1 Ų | 80.1 | 50% | 0.503 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63.6 | -42.5 | 174.7 | -176.4 | 64.2 | 0 | 0 | 0 | 111.7 | S660 K661 W662 I666 L667 L668 | S660-L664 WeakPolarHBondContact O-CB 3.47Å; S660-L664 PolarHBondContact O-N 3.23Å; K661-L664 PolarHBondContact O-N 3.47Å; W662-L664 VanDerWaalsContact C-N 3.31Å; W662-L664 PolarHBondContact O-N 3.47Å; L664-I666 PolarHBondContact O-N 3.22Å; L664-L667 PolarHBondContact O-N 2.98Å; L664-L668 HydrophobicContact CD1-CD1 4.25Å; L664-L668 HydrophobicContact CD1-CG 4.22Å; L664-L668 HydrophobicContact CG-CD1 3.97Å; L664-L668 HydrophobicContact CG-CG 4.34Å; L664-L668 WeakPolarHBondContact O-CB 3.26Å; L664-L668 VanDerWaalsContact O-CG 3.3Å; L664-L668 WeakPolarHBondContact O-CG 3.22Å; L664-L668 PolarHBondContact O-N 3.48Å |
| 665 | A | 95.2 | Very high | 94.4 | Very high | 46 Ų | 46 | 84.3 Ų | 84.3 | 38% | 0.38 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -61.1 | -42.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | K661 W662 L668 S669 | K661-A665 WeakPolarHBondContact O-CB 3.27Å; K661-A665 PolarHBondContact O-N 2.87Å; W662-A665 PolarHBondContact O-N 2.79Å; A665-L668 PolarHBondContact O-N 3.29Å; A665-S669 VanDerWaalsContact O-CB 3.28Å; A665-S669 WeakPolarHBondContact O-CB 3.31Å; A665-S669 PolarHBondContact O-N 3.47Å; A665-S669 PolarHBondContact O-OG 2.81Å |
| 666 | I | 95.2 | Very high | 94.4 | Very high | 91 Ų | 91 | 88.7 Ų | 88.7 | 47% | 0.467 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60 | -50.1 | 174.2 | -69.1 | 167.6 | 0 | 0 | 0 | 110 | W662 Q663 L664 L668 S669 G670 | W662-I666 HydrophobicContact CG-CD1 4.44Å; W662-I666 WeakPolarHBondContact O-CG1 3.37Å; W662-I666 PolarHBondContact O-N 3.17Å; Q663-I666 PolarHBondContact O-N 3.39Å; L664-I666 PolarHBondContact O-N 3.22Å; I666-L668 PolarHBondContact O-N 2.97Å; I666-S669 PolarHBondContact O-N 2.84Å; I666-S669 PolarHBondContact O-OG 2.82Å; I666-G670 PolarHBondContact O-N 3.22Å |
| 667 | L | 97 | Very high | 94.4 | Very high | 105 Ų | 105 | 91.6 Ų | 91.6 | 55% | 0.55 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -58.4 | -49.3 | 180 | 178.7 | 64.3 | 0 | 0 | 0 | 111.7 | Q663 L664 G670 I671 | Q663-L667 PolarHBondContact O-N 2.87Å; L664-L667 PolarHBondContact O-N 2.98Å; L667-G670 PolarHBondContact O-N 3.44Å; L667-I671 HydrophobicContact CD1-CD1 4.3Å; L667-I671 HydrophobicContact CG-CD1 4.12Å; L667-I671 WeakPolarHBondContact O-CG1 3.35Å; L667-I671 PolarHBondContact O-N 2.94Å |
| 668 | L | 97.7 | Very high | 94.6 | Very high | 94 Ų | 94 | 94.7 Ų | 94.7 | 49% | 0.492 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.9 | -42.1 | 179.9 | -69.9 | 175.4 | 0 | 0 | 0 | 111.7 | L664 A665 I666 G670 I671 V672 | L664-L668 HydrophobicContact CD1-CD1 4.25Å; L664-L668 HydrophobicContact CD1-CG 4.22Å; L664-L668 HydrophobicContact CG-CD1 3.97Å; L664-L668 HydrophobicContact CG-CG 4.34Å; L664-L668 WeakPolarHBondContact O-CB 3.26Å; L664-L668 VanDerWaalsContact O-CG 3.3Å; L664-L668 WeakPolarHBondContact O-CG 3.22Å; L664-L668 PolarHBondContact O-N 3.48Å; A665-L668 PolarHBondContact O-N 3.29Å; I666-L668 PolarHBondContact O-N 2.97Å; L668-G670 VanDerWaalsContact C-N 3.3Å; L668-G670 PolarHBondContact O-N 2.91Å; L668-I671 PolarHBondContact O-N 3.35Å; L668-V672 WeakPolarHBondContact O-CG2 3.36Å; L668-V672 PolarHBondContact O-N 2.95Å |
| 669 | S | 97.2 | Very high | 94.8 | Very high | 66 Ų | 66 | 95.5 Ų | 95.5 | 46% | 0.462 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.2 | -40 | 175.8 | 73.7 | 0 | 0 | 0 | 0 | 111.7 | A665 I666 V672 V673 | A665-S669 VanDerWaalsContact O-CB 3.28Å; A665-S669 WeakPolarHBondContact O-CB 3.31Å; A665-S669 PolarHBondContact O-N 3.47Å; A665-S669 PolarHBondContact O-OG 2.81Å; I666-S669 PolarHBondContact O-N 2.84Å; I666-S669 PolarHBondContact O-OG 2.82Å; S669-V672 PolarHBondContact O-N 2.89Å; S669-V673 WeakPolarHBondContact O-CB 3.3Å; S669-V673 VanDerWaalsContact O-CG2 3.28Å; S669-V673 WeakPolarHBondContact O-CG2 3.38Å; S669-V673 PolarHBondContact O-N 3.4Å |
| 670 | G | 97.2 | Very high | 95.1 | Very high | 39 Ų | 39 | 96.8 Ų | 96.8 | 40% | 0.402 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.6 | -44.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | I666 L667 L668 V673 F674 | I666-G670 PolarHBondContact O-N 3.22Å; L667-G670 PolarHBondContact O-N 3.44Å; L668-G670 VanDerWaalsContact C-N 3.3Å; L668-G670 PolarHBondContact O-N 2.91Å; G670-V673 PolarHBondContact O-N 3.04Å; G670-F674 VanDerWaalsContact O-CB 3.26Å; G670-F674 WeakPolarHBondContact O-CB 3.24Å; G670-F674 PolarHBondContact O-N 3.33Å |
| 671 | I | 97.9 | Very high | 95.5 | Very high | 77 Ų | 77 | 96.2 Ų | 96.2 | 40% | 0.395 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.3 | -44.3 | 176.2 | -67.9 | 166.7 | 0 | 0 | 0 | 110.7 | L667 L668 F674 L675 | L667-I671 HydrophobicContact CD1-CD1 4.3Å; L667-I671 HydrophobicContact CG-CD1 4.12Å; L667-I671 WeakPolarHBondContact O-CG1 3.35Å; L667-I671 PolarHBondContact O-N 2.94Å; L668-I671 PolarHBondContact O-N 3.35Å; I671-F674 PolarHBondContact O-N 2.84Å; I671-L675 HydrophobicContact CG2-CD1 3.91Å; I671-L675 HydrophobicContact CG2-CG 4.33Å; I671-L675 WeakPolarHBondContact O-CB 3.33Å; I671-L675 VanDerWaalsContact O-CG 3.32Å; I671-L675 WeakPolarHBondContact O-CG 3.34Å; I671-L675 PolarHBondContact O-N 3.35Å |
| 672 | V | 97.6 | Very high | 95.8 | Very high | 98 Ų | 98 | 94.5 Ų | 94.5 | 59% | 0.594 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -62.8 | -46.7 | 178.7 | 170.5 | 0 | 0 | 0 | 0 | 111.1 | L668 S669 F674 L675 F676 | L668-V672 WeakPolarHBondContact O-CG2 3.36Å; L668-V672 PolarHBondContact O-N 2.95Å; S669-V672 PolarHBondContact O-N 2.89Å; V672-F674 VanDerWaalsContact C-N 3.33Å; V672-F674 PolarHBondContact O-N 3.24Å; V672-L675 PolarHBondContact O-N 3.24Å; V672-F676 VanDerWaalsContact O-CB 3.27Å; V672-F676 WeakPolarHBondContact O-CB 3.5Å; V672-F676 PolarHBondContact O-N 2.85Å |
| 673 | V | 97.4 | Very high | 95.9 | Very high | 81 Ų | 81 | 90.4 Ų | 90.4 | 49% | 0.491 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.1 | -41.2 | 177.6 | 171.7 | 0 | 0 | 0 | 0 | 110.9 | S669 G670 F676 W677 | S669-V673 WeakPolarHBondContact O-CB 3.3Å; S669-V673 VanDerWaalsContact O-CG2 3.28Å; S669-V673 WeakPolarHBondContact O-CG2 3.38Å; S669-V673 PolarHBondContact O-N 3.4Å; G670-V673 PolarHBondContact O-N 3.04Å; V673-F676 PolarHBondContact O-N 3.42Å; V673-W677 PolarHBondContact O-N 2.88Å |
| 674 | F | 97.4 | Very high | 95.9 | Very high | 134 Ų | 134 | 88.9 Ų | 88.9 | 59% | 0.588 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -61.3 | -49.9 | 176.4 | 174.3 | -103.2 | 0 | 0 | 0 | 111.8 | G670 I671 V672 F676 W677 L678 | G670-F674 VanDerWaalsContact O-CB 3.26Å; G670-F674 WeakPolarHBondContact O-CB 3.24Å; G670-F674 PolarHBondContact O-N 3.33Å; I671-F674 PolarHBondContact O-N 2.84Å; V672-F674 VanDerWaalsContact C-N 3.33Å; V672-F674 PolarHBondContact O-N 3.24Å; F674-F676 PolarHBondContact O-N 3.32Å; F674-W677 PolarHBondContact O-N 3.11Å; F674-L678 HydrophobicContact CE1-CD1 3.88Å; F674-L678 HydrophobicContact CZ-CD1 3.82Å; F674-L678 VanDerWaalsContact O-CB 3.31Å; F674-L678 WeakPolarHBondContact O-CB 3.35Å; F674-L678 PolarHBondContact O-N 2.87Å |
| 675 | L | 97.4 | Very high | 95.7 | Very high | 94 Ų | 94 | 88.5 Ų | 88.5 | 49% | 0.492 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -65 | -40 | 178.9 | -69.2 | 176.2 | 0 | 0 | 0 | 111.9 | I671 V672 L678 V679 | I671-L675 HydrophobicContact CG2-CD1 3.91Å; I671-L675 HydrophobicContact CG2-CG 4.33Å; I671-L675 WeakPolarHBondContact O-CB 3.33Å; I671-L675 VanDerWaalsContact O-CG 3.32Å; I671-L675 WeakPolarHBondContact O-CG 3.34Å; I671-L675 PolarHBondContact O-N 3.35Å; V672-L675 PolarHBondContact O-N 3.24Å; L675-L678 PolarHBondContact O-N 3.43Å; L675-V679 WeakPolarHBondContact O-CG2 3.49Å; L675-V679 PolarHBondContact O-N 3.46Å |
| 676 | F | 96.5 | Very high | 95.4 | Very high | 119 Ų | 119 | 92.5 Ų | 92.5 | 52% | 0.522 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -58.5 | -50.3 | 174.9 | 174.9 | -98.5 | 0 | 0 | 0 | 111.3 | V672 V673 F674 L678 V679 I680 | V672-F676 VanDerWaalsContact O-CB 3.27Å; V672-F676 WeakPolarHBondContact O-CB 3.5Å; V672-F676 PolarHBondContact O-N 2.85Å; V673-F676 PolarHBondContact O-N 3.42Å; F674-F676 PolarHBondContact O-N 3.32Å; F676-L678 VanDerWaalsContact C-N 3.34Å; F676-L678 PolarHBondContact O-N 2.9Å; F676-V679 PolarHBondContact O-N 3.33Å; F676-I680 HydrophobicContact CD1-CG1 4.24Å; F676-I680 HydrophobicContact CE1-CD1 4.39Å; F676-I680 HydrophobicContact CE1-CG1 3.83Å; F676-I680 HydrophobicContact CE2-CD1 4.25Å; F676-I680 HydrophobicContact CE2-CG1 4.14Å; F676-I680 HydrophobicContact CZ-CD1 3.89Å; F676-I680 HydrophobicContact CZ-CG1 3.78Å; F676-I680 VanDerWaalsContact O-CG1 3.3Å; F676-I680 WeakPolarHBondContact O-CG1 3.3Å; F676-I680 PolarHBondContact O-N 2.93Å |
| 677 | W | 96.5 | Very high | 95 | Very high | 145 Ų | 145 | 92 Ų | 92 | 55% | 0.549 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -67 | -34.7 | 178.1 | -84.7 | 110.8 | 0 | 0 | 0 | 112.9 | V673 F674 V679 I680 V681 | V673-W677 PolarHBondContact O-N 2.88Å; F674-W677 PolarHBondContact O-N 3.11Å; W677-V679 VanDerWaalsContact C-N 3.33Å; W677-V679 PolarHBondContact O-N 2.93Å; W677-I680 HydrophobicContact CE3-CB 4.22Å; W677-I680 HydrophobicContact CE3-CG2 3.99Å; W677-I680 HydrophobicContact CZ3-CG2 3.91Å; W677-I680 PolarHBondContact O-N 3.5Å; W677-V681 WeakPolarHBondContact O-CB 3.26Å; W677-V681 VanDerWaalsContact O-CG2 3.24Å; W677-V681 WeakPolarHBondContact O-CG2 3.21Å; W677-V681 PolarHBondContact O-N 3.47Å |
| 678 | L | 96.6 | Very high | 94.3 | Very high | 92 Ų | 92 | 90.7 Ų | 90.7 | 48% | 0.482 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.5 | -43.2 | 174.6 | -168.5 | 151.1 | 0 | 0 | 0 | 111 | F674 L675 F676 W682 | F674-L678 HydrophobicContact CE1-CD1 3.88Å; F674-L678 HydrophobicContact CZ-CD1 3.82Å; F674-L678 VanDerWaalsContact O-CB 3.31Å; F674-L678 WeakPolarHBondContact O-CB 3.35Å; F674-L678 PolarHBondContact O-N 2.87Å; L675-L678 PolarHBondContact O-N 3.43Å; F676-L678 VanDerWaalsContact C-N 3.34Å; F676-L678 PolarHBondContact O-N 2.9Å; L678-W682 WeakPolarHBondContact O-CB 3.34Å; L678-W682 PolarHBondContact O-N 3.27Å |
| 679 | V | 95.8 | Very high | 93.3 | Very high | 76 Ų | 76 | 92.6 Ų | 92.6 | 46% | 0.461 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.2 | -45.1 | 175.3 | 173.2 | 0 | 0 | 0 | 0 | 111.6 | L675 F676 W677 W682 L683 | L675-V679 WeakPolarHBondContact O-CG2 3.49Å; L675-V679 PolarHBondContact O-N 3.46Å; F676-V679 PolarHBondContact O-N 3.33Å; W677-V679 VanDerWaalsContact C-N 3.33Å; W677-V679 PolarHBondContact O-N 2.93Å; V679-W682 PolarHBondContact O-N 3.09Å; V679-L683 HydrophobicContact CG1-CD1 4.07Å; V679-L683 HydrophobicContact CG1-CG 4.41Å; V679-L683 WeakPolarHBondContact O-CB 3.22Å; V679-L683 WeakPolarHBondContact O-CG 3.37Å; V679-L683 PolarHBondContact O-N 3.36Å |
| 680 | I | 94.3 | Very high | 92.3 | Very high | 52 Ų | 52 | 94.6 Ų | 94.6 | 27% | 0.267 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.2 | -49.2 | 178.1 | -69.3 | -77.2 | 0 | 0 | 0 | 110.6 | F676 W677 W682 L683 I684 | F676-I680 HydrophobicContact CD1-CG1 4.24Å; F676-I680 HydrophobicContact CE1-CD1 4.39Å; F676-I680 HydrophobicContact CE1-CG1 3.83Å; F676-I680 HydrophobicContact CE2-CD1 4.25Å; F676-I680 HydrophobicContact CE2-CG1 4.14Å; F676-I680 HydrophobicContact CZ-CD1 3.89Å; F676-I680 HydrophobicContact CZ-CG1 3.78Å; F676-I680 VanDerWaalsContact O-CG1 3.3Å; F676-I680 WeakPolarHBondContact O-CG1 3.3Å; F676-I680 PolarHBondContact O-N 2.93Å; W677-I680 HydrophobicContact CE3-CB 4.22Å; W677-I680 HydrophobicContact CE3-CG2 3.99Å; W677-I680 HydrophobicContact CZ3-CG2 3.91Å; W677-I680 PolarHBondContact O-N 3.5Å; I680-W682 VanDerWaalsContact C-N 3.33Å; I680-W682 PolarHBondContact O-N 3.1Å; I680-L683 PolarHBondContact O-N 3.35Å; I680-I684 HydrophobicContact CG2-CD1 3.8Å; I680-I684 HydrophobicContact CG2-CG1 4.48Å; I680-I684 VanDerWaalsContact O-CG1 3.32Å; I680-I684 WeakPolarHBondContact O-CG1 3.32Å; I680-I684 PolarHBondContact O-N 3.38Å |
| 681 | V | 94.6 | Very high | 91.2 | Very high | 77 Ų | 77 | 97.6 Ų | 97.6 | 47% | 0.467 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.7 | -42.9 | 178.4 | 171.5 | 0 | 0 | 0 | 0 | 110.3 | W677 L683 I684 V685 | W677-V681 WeakPolarHBondContact O-CB 3.26Å; W677-V681 VanDerWaalsContact O-CG2 3.24Å; W677-V681 WeakPolarHBondContact O-CG2 3.21Å; W677-V681 PolarHBondContact O-N 3.47Å; V681-L683 VanDerWaalsContact C-N 3.34Å; V681-L683 PolarHBondContact O-N 3.38Å; V681-I684 PolarHBondContact O-N 3.47Å; V681-V685 HydrophobicContact CG1-CG2 4.26Å; V681-V685 WeakPolarHBondContact O-CB 3.43Å; V681-V685 VanDerWaalsContact O-CG2 3.29Å; V681-V685 WeakPolarHBondContact O-CG2 3.43Å; V681-V685 PolarHBondContact O-N 3.35Å |
| 682 | W | 94.1 | Very high | 90.1 | Very high | 143 Ų | 143 | 99.7 Ų | 99.7 | 54% | 0.542 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.7 | -42.7 | 175.5 | 177.5 | 81.4 | 0 | 0 | 0 | 112.3 | L678 V679 I680 V685 K686 | L678-W682 WeakPolarHBondContact O-CB 3.34Å; L678-W682 PolarHBondContact O-N 3.27Å; V679-W682 PolarHBondContact O-N 3.09Å; I680-W682 VanDerWaalsContact C-N 3.33Å; I680-W682 PolarHBondContact O-N 3.1Å; W682-V685 PolarHBondContact O-N 3.3Å; W682-K686 HydrophobicContact CH2-CD 3.76Å; W682-K686 HydrophobicContact CZ2-CD 3.84Å; W682-K686 HydrophobicContact CZ3-CD 4.22Å; W682-K686 WeakPolarHBondContact O-CB 3.42Å; W682-K686 PolarHBondContact O-N 2.94Å |
| 683 | L | 92.8 | Very high | 88.2 | Confident | 71 Ų | 71 | 103.7 Ų | 103.7 | 37% | 0.372 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.4 | -43.9 | 175.4 | -73.2 | 173 | 0 | 0 | 0 | 111.9 | V679 I680 V681 V685 K686 H687 | V679-L683 HydrophobicContact CG1-CD1 4.07Å; V679-L683 HydrophobicContact CG1-CG 4.41Å; V679-L683 WeakPolarHBondContact O-CB 3.22Å; V679-L683 WeakPolarHBondContact O-CG 3.37Å; V679-L683 PolarHBondContact O-N 3.36Å; I680-L683 PolarHBondContact O-N 3.35Å; V681-L683 VanDerWaalsContact C-N 3.34Å; V681-L683 PolarHBondContact O-N 3.38Å; L683-V685 VanDerWaalsContact C-N 3.34Å; L683-V685 PolarHBondContact O-N 3.49Å; L683-K686 PolarHBondContact O-N 3.21Å; L683-H687 WeakPolarHBondContact O-CB 3.49Å; L683-H687 PolarHBondContact O-CD2 3.34Å; L683-H687 VanDerWaalsContact O-CD2 3.3Å; L683-H687 PolarHBondContact O-N 3.21Å |
| 684 | I | 91.1 | Very high | 86 | Confident | 71 Ų | 71 | 104.8 Ų | 104.8 | 36% | 0.364 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.4 | -45.9 | 176.5 | -69.1 | 168.2 | 0 | 0 | 0 | 110.2 | I680 V681 H687 L688 F692 | I680-I684 HydrophobicContact CG2-CD1 3.8Å; I680-I684 HydrophobicContact CG2-CG1 4.48Å; I680-I684 VanDerWaalsContact O-CG1 3.32Å; I680-I684 WeakPolarHBondContact O-CG1 3.32Å; I680-I684 PolarHBondContact O-N 3.38Å; V681-I684 PolarHBondContact O-N 3.47Å; I684-H687 CarbonylContact O-C 3.42Å; I684-H687 PolarHBondContact O-N 3.25Å; I684-L688 WeakPolarHBondContact O-CA 3.29Å; I684-L688 PolarHBondContact O-N 3.19Å; I684-F692 HydrophobicContact CG2-CE2 4.17Å |
| 685 | V | 89.9 | Confident | 83.5 | Confident | 88 Ų | 88 | 104.1 Ų | 104.1 | 53% | 0.533 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.7 | -44 | 179.4 | 171.5 | 0 | 0 | 0 | 0 | 111 | V681 W682 L683 H687 L688 | V681-V685 HydrophobicContact CG1-CG2 4.26Å; V681-V685 WeakPolarHBondContact O-CB 3.43Å; V681-V685 VanDerWaalsContact O-CG2 3.29Å; V681-V685 WeakPolarHBondContact O-CG2 3.43Å; V681-V685 PolarHBondContact O-N 3.35Å; W682-V685 PolarHBondContact O-N 3.3Å; L683-V685 VanDerWaalsContact C-N 3.34Å; L683-V685 PolarHBondContact O-N 3.49Å; V685-H687 VanDerWaalsContact C-N 3.26Å; V685-H687 PolarHBondContact O-N 3.47Å; V685-L688 HydrophobicContact CB-CD1 4.39Å; V685-L688 HydrophobicContact CG1-CD1 4.3Å; V685-L688 HydrophobicContact CG2-CD1 4.48Å; V685-L688 WeakPolarHBondContact O-CB 3.46Å; V685-L688 PolarHBondContact O-N 2.86Å |
| 686 | K | 90 | Very high | 80.7 | Confident | 130 Ų | 130 | 106.3 Ų | 106.3 | 57% | 0.565 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -62.1 | -34.8 | 177.8 | -176.6 | 178.6 | 178.5 | -176.8 | 0 | 112.4 | W682 L683 | W682-K686 HydrophobicContact CH2-CD 3.76Å; W682-K686 HydrophobicContact CZ2-CD 3.84Å; W682-K686 HydrophobicContact CZ3-CD 4.22Å; W682-K686 WeakPolarHBondContact O-CB 3.42Å; W682-K686 PolarHBondContact O-N 2.94Å; L683-K686 PolarHBondContact O-N 3.21Å |
| 687 | H | 86.1 | Confident | 78 | Confident | 80 Ų | 80 | 109.2 Ų | 109.2 | 37% | 0.37 | 56% | 0.556 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -104.3 | 19.1 | -177.8 | -68.1 | -68.3 | 0 | 0 | 0 | 113.4 | L683 I684 V685 N689 T690 L691 | L683-H687 WeakPolarHBondContact O-CB 3.49Å; L683-H687 PolarHBondContact O-CD2 3.34Å; L683-H687 VanDerWaalsContact O-CD2 3.3Å; L683-H687 PolarHBondContact O-N 3.21Å; I684-H687 CarbonylContact O-C 3.42Å; I684-H687 PolarHBondContact O-N 3.25Å; V685-H687 VanDerWaalsContact C-N 3.26Å; V685-H687 PolarHBondContact O-N 3.47Å; H687-N689 VanDerWaalsContact C-N 3.33Å; H687-N689 PolarHBondContact O-N 2.8Å; H687-T690 WeakPolarHBondContact CB-OG1 3.42Å; H687-T690 PolarHBondContact O-N 2.94Å; H687-T690 PolarHBondContact O-OG1 2.95Å; H687-L691 HydrophobicContact CB-CD1 3.65Å; H687-L691 HydrophobicContact CB-CG 4.05Å; H687-L691 WeakPolarHBondContact O-CB 3.48Å; H687-L691 WeakPolarHBondContact O-CG 3.35Å; H687-L691 PolarHBondContact O-N 3.27Å |
| 688 | L | 82.8 | Confident | 75.1 | Confident | 78 Ų | 78 | 108.4 Ų | 108.4 | 41% | 0.408 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -50.8 | -49.6 | -177.5 | -110.8 | 156.2 | 0 | 0 | 0 | 112.4 | I684 V685 T690 L691 F692 | I684-L688 WeakPolarHBondContact O-CA 3.29Å; I684-L688 PolarHBondContact O-N 3.19Å; V685-L688 HydrophobicContact CB-CD1 4.39Å; V685-L688 HydrophobicContact CG1-CD1 4.3Å; V685-L688 HydrophobicContact CG2-CD1 4.48Å; V685-L688 WeakPolarHBondContact O-CB 3.46Å; V685-L688 PolarHBondContact O-N 2.86Å; L688-T690 PolarHBondContact O-N 3.24Å; L688-L691 PolarHBondContact O-N 2.92Å; L688-F692 HydrophobicContact CD2-CD2 3.75Å; L688-F692 HydrophobicContact CD2-CE2 4.21Å; L688-F692 HydrophobicContact CG-CD2 4.49Å; L688-F692 WeakPolarHBondContact O-CB 3.49Å; L688-F692 PolarHBondContact O-N 2.81Å |
| 689 | N | 75.1 | Confident | 72.2 | Confident | 133 Ų | 133 | 112.8 Ų | 112.8 | 71% | 0.711 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -68.9 | -20 | -176.8 | -62.9 | -15.2 | 0 | 0 | 0 | 113.8 | H687 | H687-N689 VanDerWaalsContact C-N 3.33Å; H687-N689 PolarHBondContact O-N 2.8Å |
| 690 | T | 77.9 | Confident | 69.4 | Low | 108 Ų | 108 | 116.3 Ų | 116.3 | 66% | 0.663 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -97.3 | -33.8 | 177.7 | 42.8 | 0 | 0 | 0 | 0 | 112.8 | H687 L688 | H687-T690 WeakPolarHBondContact CB-OG1 3.42Å; H687-T690 PolarHBondContact O-N 2.94Å; H687-T690 PolarHBondContact O-OG1 2.95Å; L688-T690 PolarHBondContact O-N 3.24Å |
| 691 | L | 74.2 | Confident | 66.6 | Low | 102 Ų | 102 | 125.4 Ų | 125.4 | 53% | 0.534 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -79.8 | -32.4 | -179.7 | -77.6 | 164.5 | 0 | 0 | 0 | 111.7 | H687 L688 | H687-L691 HydrophobicContact CB-CD1 3.65Å; H687-L691 HydrophobicContact CB-CG 4.05Å; H687-L691 WeakPolarHBondContact O-CB 3.48Å; H687-L691 WeakPolarHBondContact O-CG 3.35Å; H687-L691 PolarHBondContact O-N 3.27Å; L688-L691 PolarHBondContact O-N 2.92Å |
| 692 | F | 73.4 | Confident | 63.8 | Low | 122 Ų | 122 | 130.4 Ų | 130.4 | 54% | 0.535 | 66% | 0.656 | S | S | . | * | S | Bend | trans | -118.2 | 102.8 | 175.5 | -55.2 | -79.8 | 0 | 0 | 0 | 106.5 | I684 L688 T694 | I684-F692 HydrophobicContact CG2-CE2 4.17Å; L688-F692 HydrophobicContact CD2-CD2 3.75Å; L688-F692 HydrophobicContact CD2-CE2 4.21Å; L688-F692 HydrophobicContact CG-CD2 4.49Å; L688-F692 WeakPolarHBondContact O-CB 3.49Å; L688-F692 PolarHBondContact O-N 2.81Å; F692-T694 PolarHBondContact O-N 3.03Å |
| 693 | E | 58.7 | Low | 61 | Low | 182 Ų | 182 | 127.3 Ų | 127.3 | 85% | 0.85 | 66% | 0.661 | S | S | * | * | trans | -51 | 109.3 | 167.5 | -90.6 | -177.2 | 159.5 | 0 | 0 | 107.4 | T695 | E693-T695 PolarHBondContact O-N 3.43Š| ||
| 694 | T | 50.3 | Low | 58.4 | Low | 104 Ų | 104 | 129.1 Ų | 129.1 | 64% | 0.638 | 68% | 0.677 | S | S | * | * | trans | -62.5 | 98.2 | 163.4 | 42.8 | 0 | 0 | 0 | 0 | 105.4 | F692 T696 | F692-T694 PolarHBondContact O-N 3.03Å; T694-T696 VanDerWaalsContact C-N 3.33Å; T694-T696 PolarHBondContact O-N 3.11Å | ||
| 695 | T | 45.1 | Very low | 55.9 | Low | 120 Ų | 120 | 131.9 Ų | 131.9 | 74% | 0.736 | 69% | 0.691 | S | S | * | * | trans | -50.6 | 106.8 | 165.4 | 28.1 | 0 | 0 | 0 | 0 | 106.8 | E693 K697 | E693-T695 PolarHBondContact O-N 3.43Å; T695-K697 PolarHBondContact O-N 3.27Å | ||
| 696 | T | 39.8 | Very low | 53.1 | Low | 139 Ų | 139 | 134.6 Ų | 134.6 | 85% | 0.853 | 70% | 0.703 | S | S | * | * | trans | -59.2 | 88 | 158.5 | 44.1 | 0 | 0 | 0 | 0 | 106.7 | T694 | T694-T696 VanDerWaalsContact C-N 3.33Å; T694-T696 PolarHBondContact O-N 3.11Å | ||
| 697 | K | 38.4 | Very low | 50.6 | Low | 180 Ų | 180 | 138 Ų | 138 | 78% | 0.783 | 71% | 0.714 | S | S | * | * | trans | -125.2 | 97.7 | 157.8 | -88.5 | -171.2 | 175.1 | 178.5 | 0 | 108.1 | T695 | T695-K697 PolarHBondContact O-N 3.27Š| ||
| 698 | T | 36.1 | Very low | 48.1 | Very low | 129 Ų | 129 | 138.6 Ų | 138.6 | 79% | 0.791 | 73% | 0.732 | S | S | * | * | trans | 74.6 | 115 | 150.5 | 12.7 | 0 | 0 | 0 | 0 | 117.2 | D700 | T698-D700 PolarHBondContact O-N 3.28Å; T698-D700 VanDerWaalsContact O-N 3.15Å | ||
| 699 | E | 36.1 | Very low | 46 | Very low | 183 Ų | 183 | 141.4 Ų | 141.4 | 86% | 0.855 | 75% | 0.752 | S | S | * | * | trans | -30.9 | 110.7 | 140.4 | -72.3 | 165.8 | 132.1 | 0 | 0 | 110.6 | ||||
| 700 | D | 36.7 | Very low | 44 | Very low | 150 Ų | 150 | 139.9 Ų | 139.9 | 80% | 0.802 | 76% | 0.758 | S | S | * | * | trans | 162.7 | 94.5 | 134.5 | -87.9 | -21.5 | 0 | 0 | 0 | 109.5 | T698 | T698-D700 PolarHBondContact O-N 3.28Å; T698-D700 VanDerWaalsContact O-N 3.15Å | ||
| 701 | R | 35.7 | Very low | 42.1 | Very low | 244 Ų | 244 | 138.8 Ų | 138.8 | 92% | 0.921 | 76% | 0.76 | S | S | * | * | trans | 167 | 90.1 | 134 | -89.4 | 168.1 | -166.6 | -159.6 | 4.4 | 109.6 | A703 | R701-A703 PolarHBondContact O-N 2.88Š| ||
| 702 | L | 34.5 | Very low | 40.2 | Very low | 181 Ų | 181 | 144 Ų | 144 | 95% | 0.948 | 77% | 0.774 | S | S | * | * | trans | -62.6 | 109 | 150.1 | -97.4 | 129 | 0 | 0 | 0 | 108.4 | ||||
| 703 | A | 36.1 | Very low | 38.5 | Very low | 78 Ų | 78 | 147.8 Ų | 147.8 | 65% | 0.645 | 79% | 0.793 | S | S | * | * | trans | -137 | 114.4 | 150.7 | 0 | 0 | 0 | 0 | 0 | 106.9 | R701 I705 | R701-A703 PolarHBondContact O-N 2.88Å; A703-I705 PolarHBondContact O-N 2.83Å | ||
| 704 | P | 38.2 | Very low | 37.4 | Very low | 109 Ų | 109 | 147.4 Ų | 147.4 | 71% | 0.708 | 81% | 0.81 | S | S | * | * | trans | -78.2 | 109.8 | -179.4 | 31.2 | -28.8 | 0 | 0 | 0 | 108.1 | N706 | P704-N706 VanDerWaalsContact C-N 3.34Å; P704-N706 PolarHBondContact O-N 3.25Å | ||
| 705 | I | 38.3 | Very low | 36.8 | Very low | 130 Ų | 130 | 149.6 Ų | 149.6 | 67% | 0.667 | 82% | 0.819 | S | S | * | * | trans | -82.3 | 93.5 | 161.4 | -60.1 | -179.8 | 0 | 0 | 0 | 106.5 | A703 Y707 | A703-I705 PolarHBondContact O-N 2.83Å; I705-Y707 HydrophobicContact CB-CE2 4.44Å; I705-Y707 HydrophobicContact CG2-CD2 3.8Å; I705-Y707 HydrophobicContact CG2-CE2 3.4Å; I705-Y707 PolarHBondContact O-N 2.82Å; I705-Y707 VanDerWaalsContact O-N 3.1Å | ||
| 706 | N | 31.7 | Very low | 36.3 | Very low | 144 Ų | 144 | 151.1 Ų | 151.1 | 77% | 0.77 | 82% | 0.823 | S | S | * | * | trans | -55.6 | 105.7 | 161 | -81.5 | -28 | 0 | 0 | 0 | 108.9 | P704 | P704-N706 VanDerWaalsContact C-N 3.34Å; P704-N706 PolarHBondContact O-N 3.25Å | ||
| 707 | Y | 37.1 | Very low | 36.1 | Very low | 203 Ų | 203 | 151.8 Ų | 151.8 | 80% | 0.796 | 82% | 0.822 | S | S | * | * | trans | -91.7 | 90.2 | 151.3 | -75 | -76.1 | 0 | 0 | 0 | 107.3 | I705 V709 | I705-Y707 HydrophobicContact CB-CE2 4.44Å; I705-Y707 HydrophobicContact CG2-CD2 3.8Å; I705-Y707 HydrophobicContact CG2-CE2 3.4Å; I705-Y707 PolarHBondContact O-N 2.82Å; I705-Y707 VanDerWaalsContact O-N 3.1Å; Y707-V709 PolarHBondContact O-N 2.8Å; Y707-V709 VanDerWaalsContact O-N 3.11Å | ||
| 708 | A | 34.8 | Very low | 36 | Very low | 92 Ų | 92 | 150.1 Ų | 150.1 | 76% | 0.76 | 82% | 0.824 | S | S | * | * | trans | -60 | 108.9 | 162.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | A710 | A708-A710 VanDerWaalsContact C-N 3.35Å; A708-A710 PolarHBondContact O-N 3.15Å | ||
| 709 | V | 37.4 | Very low | 36 | Very low | 137 Ų | 137 | 151.4 Ų | 151.4 | 83% | 0.83 | 83% | 0.826 | S | S | * | * | trans | -75 | 95.8 | 155.2 | 176.4 | 0 | 0 | 0 | 0 | 105.7 | Y707 | Y707-V709 PolarHBondContact O-N 2.8Å; Y707-V709 VanDerWaalsContact O-N 3.11Å | ||
| 710 | A | 32.7 | Very low | 36 | Very low | 101 Ų | 101 | 149.3 Ų | 149.3 | 84% | 0.835 | 82% | 0.824 | S | S | * | * | trans | -91.6 | 94 | 162.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | A708 | A708-A710 VanDerWaalsContact C-N 3.35Å; A708-A710 PolarHBondContact O-N 3.15Å | ||
| 711 | A | 39.1 | Very low | 35.9 | Very low | 84 Ų | 84 | 149.3 Ų | 149.3 | 69% | 0.694 | 83% | 0.826 | S | S | * | * | trans | -147.3 | 92.4 | 161 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 712 | Y | 34.7 | Very low | 35.9 | Very low | 213 Ų | 213 | 142 Ų | 142 | 84% | 0.835 | 82% | 0.818 | S | S | * | * | trans | 18.2 | 114.9 | 146.6 | -98.3 | -99.7 | 0 | 0 | 0 | 120 | ||||
| 713 | E | 36.8 | Very low | 36.1 | Very low | 201 Ų | 201 | 138.8 Ų | 138.8 | 94% | 0.939 | 81% | 0.807 | S | S | * | * | trans | -142.5 | 86 | 135.9 | -89.4 | -170.3 | 166.1 | 0 | 0 | 108.5 | ||||
| 714 | S | 36.1 | Very low | 36.1 | Very low | 173 Ų | 173 | 144.3 Ų | 144.3 | 100% | 1.21 | 82% | 0.822 | S | S | * | * | trans | 171.9 | 0 | 147.3 | 68.5 | 0 | 0 | 0 | 0 | 110.3 |
Retrieved 714 of 714 residues in 422.3 ms
(Link to these results)