| 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 | 51 | Low | 69.3 | Low | 208 Ų | 208 | 129.8 Ų | 129.8 | 100% | 1.025 | 64% | 0.641 | S | S | * | * | 0 | 15.3 | 0 | -83.5 | 129.7 | 121.4 | 0 | 0 | 111.6 | |||||
| 2 | D | 55.8 | Low | 70.6 | Confident | 129 Ų | 129 | 127.9 Ų | 127.9 | 69% | 0.69 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -87.2 | -24 | -160.3 | -48.4 | -73.2 | 0 | 0 | 0 | 113.2 | S5 S6 | D2-S5 PolarHBondContact O-N 3.31Å; D2-S6 PolarHBondContact O-N 3.35Å; D2-S6 VanDerWaalsContact O-N 3.16Å; D2-S6 PolarHBondContact O-OG 3.4Å |
| 3 | R | 58.8 | Low | 71.5 | Confident | 196 Ų | 196 | 127.2 Ų | 127.2 | 74% | 0.74 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -72.2 | -33.7 | -179.8 | -166.1 | 156.2 | 65.4 | -162.2 | 1.6 | 112.7 | F7 | R3-F7 HydrophobicContact CG-CD2 4.4Å; R3-F7 HydrophobicContact CG-CE2 3.78Å; R3-F7 WeakPolarHBondContact O-CD2 3.14Å; R3-F7 PolarHBondContact O-N 3.16Å |
| 4 | H | 58.8 | Low | 72.6 | Confident | 151 Ų | 151 | 126.4 Ų | 126.4 | 70% | 0.699 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -72.3 | -37.2 | 174.5 | -84.2 | -93.3 | 0 | 0 | 0 | 112.2 | S6 F7 I8 | H4-S6 VanDerWaalsContact C-N 3.31Å; H4-S6 PolarHBondContact O-N 3.31Å; H4-F7 PolarHBondContact O-N 3.46Å; H4-I8 WeakPolarHBondContact O-CG1 3.45Å; H4-I8 PolarHBondContact O-N 3.46Å |
| 5 | S | 62.8 | Low | 73.4 | Confident | 81 Ų | 81 | 123.9 Ų | 123.9 | 57% | 0.566 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -62.1 | -39.1 | 175.1 | -169.3 | 0 | 0 | 0 | 0 | 111.8 | D2 F7 I8 S9 | D2-S5 PolarHBondContact O-N 3.31Å; S5-F7 PolarHBondContact O-N 3.2Å; S5-I8 PolarHBondContact O-N 3.4Å; S5-S9 WeakPolarHBondContact O-CB 3.24Å; S5-S9 PolarHBondContact O-N 3.28Å |
| 6 | S | 70.2 | Confident | 74 | Confident | 67 Ų | 67 | 122.6 Ų | 122.6 | 47% | 0.469 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -64.5 | -40.4 | 178 | -60 | 0 | 0 | 0 | 0 | 112.9 | D2 H4 S9 I10 | D2-S6 PolarHBondContact O-N 3.35Å; D2-S6 VanDerWaalsContact O-N 3.16Å; D2-S6 PolarHBondContact O-OG 3.4Å; H4-S6 VanDerWaalsContact C-N 3.31Å; H4-S6 PolarHBondContact O-N 3.31Å; S6-S9 PolarHBondContact O-N 2.88Å; S6-I10 WeakPolarHBondContact O-CD1 3.49Å; S6-I10 VanDerWaalsContact O-CG1 3.23Å; S6-I10 WeakPolarHBondContact O-CG1 3.5Å; S6-I10 PolarHBondContact O-N 3.48Å |
| 7 | F | 76.1 | Confident | 74.4 | Confident | 133 Ų | 133 | 119.4 Ų | 119.4 | 58% | 0.583 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -69.1 | -39.7 | 177.8 | -72.3 | -62.3 | 0 | 0 | 0 | 112.6 | R3 H4 S5 S9 I10 W11 | R3-F7 HydrophobicContact CG-CD2 4.4Å; R3-F7 HydrophobicContact CG-CE2 3.78Å; R3-F7 WeakPolarHBondContact O-CD2 3.14Å; R3-F7 PolarHBondContact O-N 3.16Å; H4-F7 PolarHBondContact O-N 3.46Å; S5-F7 PolarHBondContact O-N 3.2Å; F7-S9 VanDerWaalsContact C-N 3.32Å; F7-I10 PolarHBondContact O-N 3.38Å; F7-W11 WeakPolarHBondContact O-CB 3.32Å; F7-W11 PolarHBondContact O-N 3.3Å |
| 8 | I | 80.9 | Confident | 74.9 | Confident | 116 Ų | 116 | 115.3 Ų | 115.3 | 60% | 0.595 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -64 | -41.5 | 176 | -65.4 | 165.3 | 0 | 0 | 0 | 110.1 | H4 S5 W11 L12 | H4-I8 WeakPolarHBondContact O-CG1 3.45Å; H4-I8 PolarHBondContact O-N 3.46Å; S5-I8 PolarHBondContact O-N 3.4Å; I8-W11 PolarHBondContact O-N 3.48Å; I8-L12 WeakPolarHBondContact O-CB 3.44Å; I8-L12 PolarHBondContact O-N 3.49Å |
| 9 | S | 79 | Confident | 75 | Confident | 69 Ų | 69 | 114.4 Ų | 114.4 | 48% | 0.483 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -63.3 | -44.2 | 176.1 | 175.3 | 0 | 0 | 0 | 0 | 112.5 | S5 S6 F7 W11 L12 Q13 | S5-S9 WeakPolarHBondContact O-CB 3.24Å; S5-S9 PolarHBondContact O-N 3.28Å; S6-S9 PolarHBondContact O-N 2.88Å; F7-S9 VanDerWaalsContact C-N 3.32Å; S9-W11 VanDerWaalsContact C-N 3.32Å; S9-W11 PolarHBondContact O-N 3.08Å; S9-L12 PolarHBondContact O-N 3.14Å; S9-Q13 VanDerWaalsContact O-CB 3.31Å; S9-Q13 WeakPolarHBondContact O-CB 3.44Å; S9-Q13 PolarHBondContact O-N 3.46Å |
| 10 | I | 84.4 | Confident | 75.2 | Confident | 108 Ų | 108 | 111.2 Ų | 111.2 | 55% | 0.554 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -63.5 | -40.2 | 176.8 | -68.6 | 162.1 | 0 | 0 | 0 | 111 | S6 F7 Q13 L14 | S6-I10 WeakPolarHBondContact O-CD1 3.49Å; S6-I10 VanDerWaalsContact O-CG1 3.23Å; S6-I10 WeakPolarHBondContact O-CG1 3.5Å; S6-I10 PolarHBondContact O-N 3.48Å; F7-I10 PolarHBondContact O-N 3.38Å; I10-Q13 PolarHBondContact O-N 3.47Å; I10-L14 WeakPolarHBondContact O-CB 3.47Å; I10-L14 PolarHBondContact O-N 3.5Å |
| 11 | W | 84.4 | Confident | 75.3 | Confident | 170 Ų | 170 | 110.9 Ų | 110.9 | 64% | 0.644 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -66.1 | -44.4 | 178.7 | -145.7 | 88.4 | 0 | 0 | 0 | 111.4 | F7 I8 S9 Q13 L14 E15 | F7-W11 WeakPolarHBondContact O-CB 3.32Å; F7-W11 PolarHBondContact O-N 3.3Å; I8-W11 PolarHBondContact O-N 3.48Å; S9-W11 VanDerWaalsContact C-N 3.32Å; S9-W11 PolarHBondContact O-N 3.08Å; W11-Q13 VanDerWaalsContact C-N 3.34Å; W11-Q13 PolarHBondContact O-N 3.11Å; W11-L14 PolarHBondContact O-N 3.07Å; W11-E15 HydrophobicContact CE3-CG 3.63Å; W11-E15 HydrophobicContact CH2-CG 4.2Å; W11-E15 VanDerWaalsContact CH2-OE1 3.25Å; W11-E15 WeakPolarHBondContact CH2-OE1 3.36Å; W11-E15 HydrophobicContact CZ3-CG 3.45Å; W11-E15 VanDerWaalsContact CZ3-CG 3.45Å; W11-E15 WeakPolarHBondContact CZ3-OE1 3.3Å; W11-E15 WeakPolarHBondContact O-CG 3.27Å; W11-E15 PolarHBondContact O-N 3.35Å |
| 12 | L | 84.4 | Confident | 76.2 | Confident | 107 Ų | 107 | 107.5 Ų | 107.5 | 56% | 0.56 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -63.5 | -39.4 | 174.9 | -159.5 | 104.7 | 0 | 0 | 0 | 111.9 | I8 S9 L14 E15 L16 | I8-L12 WeakPolarHBondContact O-CB 3.44Å; I8-L12 PolarHBondContact O-N 3.49Å; S9-L12 PolarHBondContact O-N 3.14Å; L12-L14 VanDerWaalsContact C-N 3.34Å; L12-E15 PolarHBondContact O-N 2.86Å; L12-L16 HydrophobicContact CD2-CD1 3.85Å; L12-L16 HydrophobicContact CG-CD1 4.26Å; L12-L16 WeakPolarHBondContact O-CB 3.48Å; L12-L16 WeakPolarHBondContact O-CD1 3.49Å; L12-L16 VanDerWaalsContact O-CG 3.28Å; L12-L16 WeakPolarHBondContact O-CG 3.43Å; L12-L16 PolarHBondContact O-N 2.7Å |
| 13 | Q | 83.4 | Confident | 76.6 | Confident | 118 Ų | 118 | 107.9 Ų | 107.9 | 55% | 0.551 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -62.8 | -42.4 | 175.6 | -165.2 | 85.5 | -0.1 | 0 | 0 | 111 | S9 I10 W11 L16 C17 | S9-Q13 VanDerWaalsContact O-CB 3.31Å; S9-Q13 WeakPolarHBondContact O-CB 3.44Å; S9-Q13 PolarHBondContact O-N 3.46Å; I10-Q13 PolarHBondContact O-N 3.47Å; W11-Q13 VanDerWaalsContact C-N 3.34Å; W11-Q13 PolarHBondContact O-N 3.11Å; Q13-L16 PolarHBondContact O-N 2.97Å; Q13-C17 WeakPolarHBondContact O-CB 3.48Å; Q13-C17 PolarHBondContact O-N 3.12Å; Q13-C17 PolarHBondContact O-SG 3.43Å |
| 14 | L | 85.9 | Confident | 76.9 | Confident | 117 Ų | 117 | 103.2 Ų | 103.2 | 61% | 0.613 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -66 | -43.1 | 178.4 | -174.3 | 66 | 0 | 0 | 0 | 111.6 | I10 W11 L12 C17 A18 | I10-L14 WeakPolarHBondContact O-CB 3.47Å; I10-L14 PolarHBondContact O-N 3.5Å; W11-L14 PolarHBondContact O-N 3.07Å; L12-L14 VanDerWaalsContact C-N 3.34Å; L14-C17 PolarHBondContact O-N 2.85Å; L14-A18 WeakPolarHBondContact O-CB 3.35Å; L14-A18 PolarHBondContact O-N 2.93Å |
| 15 | E | 84.4 | Confident | 77.2 | Confident | 88 Ų | 88 | 104.1 Ų | 104.1 | 41% | 0.411 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -62.2 | -44.7 | 173.9 | -74.8 | -66.6 | 159.7 | 0 | 0 | 111.8 | W11 L12 C17 A18 M19 | W11-E15 HydrophobicContact CE3-CG 3.63Å; W11-E15 HydrophobicContact CH2-CG 4.2Å; W11-E15 VanDerWaalsContact CH2-OE1 3.25Å; W11-E15 WeakPolarHBondContact CH2-OE1 3.36Å; W11-E15 HydrophobicContact CZ3-CG 3.45Å; W11-E15 VanDerWaalsContact CZ3-CG 3.45Å; W11-E15 WeakPolarHBondContact CZ3-OE1 3.3Å; W11-E15 WeakPolarHBondContact O-CG 3.27Å; W11-E15 PolarHBondContact O-N 3.35Å; L12-E15 PolarHBondContact O-N 2.86Å; E15-C17 VanDerWaalsContact C-N 3.34Å; E15-C17 PolarHBondContact O-N 3.07Å; E15-A18 PolarHBondContact O-N 3.19Å; E15-M19 WeakPolarHBondContact O-CB 3.27Å; E15-M19 WeakPolarHBondContact O-CG 3.36Å; E15-M19 PolarHBondContact O-N 2.92Å |
| 16 | L | 83.4 | Confident | 77.2 | Confident | 104 Ų | 104 | 102.7 Ų | 102.7 | 55% | 0.545 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.7 | -40.3 | 175 | -77.7 | 164.6 | 0 | 0 | 0 | 111.8 | L12 Q13 A20 | L12-L16 HydrophobicContact CD2-CD1 3.85Å; L12-L16 HydrophobicContact CG-CD1 4.26Å; L12-L16 WeakPolarHBondContact O-CB 3.48Å; L12-L16 WeakPolarHBondContact O-CD1 3.49Å; L12-L16 VanDerWaalsContact O-CG 3.28Å; L12-L16 WeakPolarHBondContact O-CG 3.43Å; L12-L16 PolarHBondContact O-N 2.7Å; Q13-L16 PolarHBondContact O-N 2.97Å; L16-A20 VanDerWaalsContact O-CB 3.24Å; L16-A20 WeakPolarHBondContact O-CB 3.36Å; L16-A20 PolarHBondContact O-N 3.36Å |
| 17 | C | 81.8 | Confident | 77.5 | Confident | 67 Ų | 67 | 103.4 Ų | 103.4 | 45% | 0.453 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.3 | -41.7 | 174.4 | -76.4 | 0 | 0 | 0 | 0 | 111.9 | Q13 L14 E15 A20 V21 | Q13-C17 WeakPolarHBondContact O-CB 3.48Å; Q13-C17 PolarHBondContact O-N 3.12Å; Q13-C17 PolarHBondContact O-SG 3.43Å; L14-C17 PolarHBondContact O-N 2.85Å; E15-C17 VanDerWaalsContact C-N 3.34Å; E15-C17 PolarHBondContact O-N 3.07Å; C17-A20 PolarHBondContact O-N 3.03Å; C17-V21 VanDerWaalsContact O-CG2 3.31Å; C17-V21 WeakPolarHBondContact O-CG2 3.47Å; C17-V21 PolarHBondContact O-N 3.5Å |
| 18 | A | 81.8 | Confident | 77.8 | Confident | 46 Ų | 46 | 97.6 Ų | 97.6 | 38% | 0.38 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.8 | -47 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111 | L14 E15 A20 V21 L22 | L14-A18 WeakPolarHBondContact O-CB 3.35Å; L14-A18 PolarHBondContact O-N 2.93Å; E15-A18 PolarHBondContact O-N 3.19Å; A18-A20 VanDerWaalsContact C-N 3.33Å; A18-A20 PolarHBondContact O-N 3.34Å; A18-V21 PolarHBondContact O-N 3.21Å; A18-L22 VanDerWaalsContact O-CG 3.25Å; A18-L22 WeakPolarHBondContact O-CG 3.32Å; A18-L22 PolarHBondContact O-N 3.42Å |
| 19 | M | 78.1 | Confident | 78.1 | Confident | 98 Ų | 98 | 97.6 Ų | 97.6 | 48% | 0.483 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.6 | -38.3 | 175.4 | -68.6 | -57.5 | -65 | 0 | 0 | 112.1 | E15 L22 L23 | E15-M19 WeakPolarHBondContact O-CB 3.27Å; E15-M19 WeakPolarHBondContact O-CG 3.36Å; E15-M19 PolarHBondContact O-N 2.92Å; M19-L22 PolarHBondContact O-N 3.47Å; M19-L22 HydrophobicContact SD-CD1 4.2Å; M19-L23 VanDerWaalsContact O-CB 3.28Å; M19-L23 WeakPolarHBondContact O-CB 3.45Å; M19-L23 WeakPolarHBondContact O-CD1 3.27Å; M19-L23 WeakPolarHBondContact O-CG 3.41Å; M19-L23 PolarHBondContact O-N 2.93Å |
| 20 | A | 79.3 | Confident | 78.6 | Confident | 51 Ų | 51 | 94.3 Ų | 94.3 | 42% | 0.421 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.5 | -43.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L16 C17 A18 L22 L23 T24 | L16-A20 VanDerWaalsContact O-CB 3.24Å; L16-A20 WeakPolarHBondContact O-CB 3.36Å; L16-A20 PolarHBondContact O-N 3.36Å; C17-A20 PolarHBondContact O-N 3.03Å; A18-A20 VanDerWaalsContact C-N 3.33Å; A18-A20 PolarHBondContact O-N 3.34Å; A20-L22 VanDerWaalsContact C-N 3.34Å; A20-L23 CarbonylContact O-C 3.55Å; A20-L23 PolarHBondContact O-N 2.81Å; A20-T24 WeakPolarHBondContact O-CG2 3.23Å; A20-T24 PolarHBondContact O-N 2.79Å |
| 21 | V | 77 | Confident | 78.8 | Confident | 105 Ų | 105 | 92.4 Ų | 92.4 | 64% | 0.636 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -67.1 | -34.4 | 175.9 | 172.7 | 0 | 0 | 0 | 0 | 111.9 | C17 A18 L23 T24 | C17-V21 VanDerWaalsContact O-CG2 3.31Å; C17-V21 WeakPolarHBondContact O-CG2 3.47Å; C17-V21 PolarHBondContact O-N 3.5Å; A18-V21 PolarHBondContact O-N 3.21Å; V21-L23 VanDerWaalsContact C-N 3.32Å; V21-T24 PolarHBondContact O-OG1 3.37Å |
| 22 | L | 69.2 | Low | 79.1 | Confident | 137 Ų | 137 | 84.4 Ų | 84.4 | 72% | 0.717 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -72 | -27.4 | 173.9 | -67.9 | 171.1 | 0 | 0 | 0 | 112.6 | A18 M19 A20 | A18-L22 VanDerWaalsContact O-CG 3.25Å; A18-L22 WeakPolarHBondContact O-CG 3.32Å; A18-L22 PolarHBondContact O-N 3.42Å; M19-L22 PolarHBondContact O-N 3.47Å; M19-L22 HydrophobicContact SD-CD1 4.2Å; A20-L22 VanDerWaalsContact C-N 3.34Å |
| 23 | L | 65.4 | Low | 79.3 | Confident | 136 Ų | 136 | 82 Ų | 82 | 71% | 0.712 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -89.1 | -13.8 | 177.8 | -72.3 | 166 | 0 | 0 | 0 | 113.4 | M19 A20 V21 K25 | M19-L23 VanDerWaalsContact O-CB 3.28Å; M19-L23 WeakPolarHBondContact O-CB 3.45Å; M19-L23 WeakPolarHBondContact O-CD1 3.27Å; M19-L23 WeakPolarHBondContact O-CG 3.41Å; M19-L23 PolarHBondContact O-N 2.93Å; A20-L23 CarbonylContact O-C 3.55Å; A20-L23 PolarHBondContact O-N 2.81Å; V21-L23 VanDerWaalsContact C-N 3.32Å; L23-K25 VanDerWaalsContact C-N 3.29Å; L23-K25 PolarHBondContact O-N 2.96Å |
| 24 | T | 64.8 | Low | 79.5 | Confident | 99 Ų | 99 | 77.6 Ų | 77.6 | 61% | 0.607 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -67.6 | 93.2 | 169 | 49.5 | 0 | 0 | 0 | 0 | 108.6 | A20 V21 G26 | A20-T24 WeakPolarHBondContact O-CG2 3.23Å; A20-T24 PolarHBondContact O-N 2.79Å; V21-T24 PolarHBondContact O-OG1 3.37Å; T24-G26 PolarHBondContact O-N 3.23Å |
| 25 | K | 64.1 | Low | 79.5 | Confident | 169 Ų | 169 | 77.5 Ų | 77.5 | 74% | 0.735 | 43% | 0.431 | S | S | * | . | trans | -58.3 | 110.8 | 168.4 | -170.6 | 177.8 | 173.8 | 79.1 | 0 | 106.9 | L23 | L23-K25 VanDerWaalsContact C-N 3.29Å; L23-K25 PolarHBondContact O-N 2.96Å | ||
| 26 | G | 63.9 | Low | 79.6 | Confident | 52 Ų | 52 | 79.9 Ų | 79.9 | 54% | 0.536 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 146.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111 | T24 I28 | T24-G26 PolarHBondContact O-N 3.23Å; G26-I28 PolarHBondContact O-N 2.99Å |
| 27 | E | 76.2 | Confident | 79.8 | Confident | 82 Ų | 82 | 75 Ų | 75 | 38% | 0.383 | 42% | 0.416 | S | S | . | . | P | Polyproline II helix | trans | -62.6 | 125.7 | 166.5 | -179.5 | -173.5 | 135.3 | 0 | 0 | 109.5 | K45 | E27-K45 HydrophobicContact CG-CD 4.26Å; E27-K45 HydrophobicContact CG-CG 3.99Å; E27-K45 WeakPolarHBondContact OE1-CD 3.5Å; E27-K45 WeakPolarHBondContact OE1-CE 3.34Å; E27-K45 WeakPolarHBondContact OE1-CG 3.21Å; E27-K45 IonicContact OE1-NZ 2.66Å; E27-K45 PolarHBondContact OE1-NZ 2.86Å; E27-K45 VanDerWaalsContact OE2-CE 3.3Å; E27-K45 WeakPolarHBondContact OE2-CE 3.38Å; E27-K45 IonicContact OE2-NZ 3.87Å; E27-K45 PolarHBondContact OE2-NZ 3.34Å |
| 28 | I | 81.4 | Confident | 80.2 | Confident | 11 Ų | 11 | 75.5 Ų | 75.5 | 6% | 0.056 | 42% | 0.417 | C | S | . | . | P | Polyproline II helix | trans | -81 | 127.9 | -177.3 | -67.8 | 177.1 | 0 | 0 | 0 | 109.6 | G26 S46 N49 H99 | G26-I28 PolarHBondContact O-N 2.99Å; I28-S46 PolarHBondContact O-N 3.48Å; I28-N49 HydrophobicContact CD1-CB 3.8Å; I28-N49 WeakPolarHBondContact CD1-O 3.39Å; I28-H99 WeakPolarHBondContact CD1-O 3.39Å |
| 29 | R | 87.8 | Confident | 80.6 | Confident | 115 Ų | 115 | 78.1 Ų | 78.1 | 43% | 0.434 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 137.4 | 170.3 | -61.1 | -174.3 | 178.6 | 84.3 | 4.4 | 109.4 | M43 C44 D101 M102 | R29-M43 HydrophobicContact CB-CE 4.22Å; R29-C44 CarbonylContact C-O 3.59Å; R29-C44 VanDerWaalsContact CA-O 3.32Å; R29-C44 WeakPolarHBondContact CA-O 3.1Å; R29-D101 PolarHBondContact N-OD1 3.4Å; R29-M102 WeakPolarHBondContact O-CA 3.22Å; R29-M102 PolarHBondContact O-N 3.02Å |
| 30 | C | 89.1 | Confident | 80.9 | Confident | 0 Ų | 0 | 77.4 Ų | 77.4 | 0% | 0 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 155.9 | 177 | -51.4 | 0 | 0 | 0 | 0 | 110.3 | M43 C44 C51 C69 | C30-M43 WeakPolarHBondContact O-CA 3.41Å; C30-C44 PolarHBondContact N-O 2.87Å; C30-C44 PolarHBondContact O-N 3.3Å; C30-C51 VanDerWaalsContact CA-SG 3.57Å; C30-C51 HydrophobicContact CB-CB 3.57Å; C30-C51 WeakPolarHBondContact CB-SG 3.44Å; C30-C51 WeakPolarHBondContact SG-CA 3.15Å; C30-C51 WeakPolarHBondContact SG-CB 3.38Å; C30-C51 CovalentContact SG-SG 2.02Å; C30-C51 PolarHBondContact SG-SG 2.88Å; C30-C69 VanDerWaalsContact CB-SG 3.52Å |
| 31 | Y | 90.2 | Very high | 81.4 | Confident | 68 Ų | 68 | 77.3 Ų | 77.3 | 27% | 0.267 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 140.4 | 167.1 | -176.7 | -108 | 0 | 0 | 0 | 110.1 | Y42 H67 G68 N104 Y105 | Y31-Y42 WeakPolarHBondContact CA-O 3.32Å; Y31-Y42 WeakPolarHBondContact CD2-O 3.23Å; Y31-Y42 HydrophobicContact CE2-CG 4.33Å; Y31-H67 HydrophobicContact CD1-CB 3.75Å; Y31-H67 AromaticContact CD1-CG 3.89Å; Y31-H67 HydrophobicContact CE1-CB 4.38Å; Y31-H67 CarbonylContact O-C 3.6Å; Y31-G68 WeakPolarHBondContact O-CA 3.23Å; Y31-G68 PolarHBondContact O-N 3Å; Y31-N104 WeakPolarHBondContact CB-OD1 3.23Å; Y31-N104 PolarHBondContact N-OD1 3.21Å; Y31-N104 PolarHBondContact O-ND2 2.91Å; Y31-Y105 HydrophobicContact CD1-CD2 4.4Å; Y31-Y105 AromaticContact CD2-CD2 3.77Å; Y31-Y105 HydrophobicContact CD2-CD2 3.77Å; Y31-Y105 HydrophobicContact CD2-CE2 4.27Å; Y31-Y105 HydrophobicContact CE2-CD2 4.17Å; Y31-Y105 HydrophobicContact CE2-CE2 4.25Å; Y31-Y105 AromaticContact CG-CD2 3.9Å; Y31-Y105 HydrophobicContact CG-CD2 3.9Å |
| 32 | C | 90.1 | Very high | 81.9 | Confident | 3 Ų | 3 | 77.2 Ų | 77.2 | 2% | 0.02 | 43% | 0.433 | C | S | . | . | trans | -142.4 | 122.8 | -176.5 | 172.7 | 0 | 0 | 0 | 0 | 111.1 | C37 Y42 C44 H67 | C32-C37 HydrophobicContact CB-CB 3.54Å; C32-C37 WeakPolarHBondContact CB-SG 3.31Å; C32-C37 WeakPolarHBondContact SG-CB 3.43Å; C32-C37 CovalentContact SG-SG 2.03Å; C32-C37 PolarHBondContact SG-SG 2.81Å; C32-Y42 PolarHBondContact N-O 3.29Å; C32-Y42 CarbonylContact O-C 3.58Å; C32-Y42 WeakPolarHBondContact O-CA 3.39Å; C32-Y42 WeakPolarHBondContact O-CB 3.34Å; C32-Y42 VanDerWaalsContact O-CD1 3.3Å; C32-Y42 WeakPolarHBondContact O-CD1 3.5Å; C32-C44 HydrophobicContact CB-CB 3.96Å; C32-H67 WeakPolarHBondContact CA-O 3.26Å | ||
| 33 | D | 88.7 | Confident | 82.9 | Confident | 57 Ų | 57 | 74.3 Ų | 74.3 | 31% | 0.305 | 42% | 0.417 | S | S | . | . | trans | -91.1 | -6.9 | -179.5 | 65.7 | -38.9 | 0 | 0 | 0 | 113.6 | T66 H67 | D33-T66 WeakPolarHBondContact OD1-CG2 3.38Å; D33-T66 VanDerWaalsContact OD2-CA 3.3Å; D33-T66 WeakPolarHBondContact OD2-CA 3.46Å; D33-T66 PolarHBondContact OD2-OG1 3.37Å; D33-T66 VanDerWaalsContact OD2-OG1 3.05Å; D33-H67 PolarHBondContact N-O 3.45Å; D33-H67 PolarHBondContact OD1-N 2.89Å | ||
| 34 | A | 86.6 | Confident | 84 | Confident | 25 Ų | 25 | 68.7 Ų | 68.7 | 21% | 0.207 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -68.1 | 150.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | H36 C37 | A34-H36 WeakPolarHBondContact CB-CE1 3.28Å; A34-H36 WeakPolarHBondContact CB-ND1 3.26Å; A34-H36 PolarHBondContact O-N 3.42Å; A34-H36 VanDerWaalsContact O-N 3.12Å; A34-C37 WeakPolarHBondContact O-CB 3.34Å; A34-C37 PolarHBondContact O-N 2.84Å |
| 35 | P | 87 | Confident | 85.1 | Confident | 115 Ų | 115 | 69.2 Ų | 69.2 | 75% | 0.747 | 38% | 0.383 | S | S | * | . | G | 310 helix | trans | -61.8 | -27.5 | -175.2 | 23.7 | -34.5 | 0 | 0 | 0 | 113.6 | C37 V38 | P35-C37 PolarHBondContact O-N 3.2Å; P35-V38 WeakPolarHBondContact O-CG2 3.33Å; P35-V38 PolarHBondContact O-N 2.83Å |
| 36 | H | 85.5 | Confident | 85.8 | Confident | 138 Ų | 138 | 61.2 Ų | 61.2 | 64% | 0.639 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | -69 | -22.6 | 176.4 | 66.3 | -95.7 | 0 | 0 | 0 | 112.9 | A34 | A34-H36 WeakPolarHBondContact CB-CE1 3.28Å; A34-H36 WeakPolarHBondContact CB-ND1 3.26Å; A34-H36 PolarHBondContact O-N 3.42Å; A34-H36 VanDerWaalsContact O-N 3.12Å |
| 37 | C | 88.7 | Confident | 86.6 | Confident | 1 Ų | 1 | 63.7 Ų | 63.7 | 1% | 0.007 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -85.1 | -5.7 | 179 | -64.1 | 0 | 0 | 0 | 0 | 113.2 | C32 A34 P35 A39 T40 G41 Y42 | C32-C37 HydrophobicContact CB-CB 3.54Å; C32-C37 WeakPolarHBondContact CB-SG 3.31Å; C32-C37 WeakPolarHBondContact SG-CB 3.43Å; C32-C37 CovalentContact SG-SG 2.03Å; C32-C37 PolarHBondContact SG-SG 2.81Å; A34-C37 WeakPolarHBondContact O-CB 3.34Å; A34-C37 PolarHBondContact O-N 2.84Å; P35-C37 PolarHBondContact O-N 3.2Å; C37-A39 PolarHBondContact O-N 3.11Å; C37-T40 WeakPolarHBondContact CA-OG1 3.32Å; C37-T40 CarbonylContact O-C 3.58Å; C37-T40 PolarHBondContact O-N 3.32Å; C37-T40 PolarHBondContact O-OG1 2.82Å; C37-G41 PolarHBondContact O-N 2.82Å; C37-Y42 WeakPolarHBondContact O-CA 3.3Å; C37-Y42 PolarHBondContact O-N 3.41Å |
| 38 | V | 89.8 | Confident | 86.5 | Confident | 77 Ų | 77 | 63 Ų | 63 | 47% | 0.467 | 35% | 0.348 | S | S | . | . | G | 310 helix | trans | -65.2 | -41 | -179.7 | 177.1 | 0 | 0 | 0 | 0 | 111.3 | P35 T40 G41 Y42 | P35-V38 WeakPolarHBondContact O-CG2 3.33Å; P35-V38 PolarHBondContact O-N 2.83Å; V38-T40 PolarHBondContact O-N 2.82Å; V38-G41 PolarHBondContact O-N 2.94Å; V38-G41 VanDerWaalsContact O-N 3.13Å; V38-Y42 HydrophobicContact CG2-CE1 4.03Å |
| 39 | A | 89.1 | Confident | 86.4 | Confident | 102 Ų | 102 | 65.1 Ų | 65.1 | 84% | 0.843 | 36% | 0.359 | S | S | * | . | G | 310 helix | trans | -65.3 | -21.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | C37 | C37-A39 PolarHBondContact O-N 3.11Š|
| 40 | T | 86.1 | Confident | 86.2 | Confident | 83 Ų | 83 | 59.8 Ų | 59.8 | 51% | 0.509 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -102 | 8.4 | 179.1 | 56 | 0 | 0 | 0 | 0 | 112.8 | C37 V38 M43 | C37-T40 WeakPolarHBondContact CA-OG1 3.32Å; C37-T40 CarbonylContact O-C 3.58Å; C37-T40 PolarHBondContact O-N 3.32Å; C37-T40 PolarHBondContact O-OG1 2.82Å; V38-T40 PolarHBondContact O-N 2.82Å; T40-M43 WeakPolarHBondContact CB-O 3.27Å; T40-M43 PolarHBondContact OG1-O 2.8Å |
| 41 | G | 88.1 | Confident | 86.1 | Confident | 49 Ų | 49 | 59.8 Ų | 59.8 | 51% | 0.505 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.8 | 35.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | C37 V38 M43 | C37-G41 PolarHBondContact O-N 2.82Å; V38-G41 PolarHBondContact O-N 2.94Å; V38-G41 VanDerWaalsContact O-N 3.13Å; G41-M43 PolarHBondContact O-N 3.44Å |
| 42 | Y | 89.3 | Confident | 86 | Confident | 103 Ų | 103 | 58.3 Ų | 58.3 | 40% | 0.404 | 34% | 0.335 | S | S | . | . | S | Bend | trans | 62.4 | 29.6 | -174.9 | -59.9 | -87.7 | 0 | 0 | 0 | 113.5 | Y31 C32 C37 V38 | Y31-Y42 WeakPolarHBondContact CA-O 3.32Å; Y31-Y42 WeakPolarHBondContact CD2-O 3.23Å; Y31-Y42 HydrophobicContact CE2-CG 4.33Å; C32-Y42 PolarHBondContact N-O 3.29Å; C32-Y42 CarbonylContact O-C 3.58Å; C32-Y42 WeakPolarHBondContact O-CA 3.39Å; C32-Y42 WeakPolarHBondContact O-CB 3.34Å; C32-Y42 VanDerWaalsContact O-CD1 3.3Å; C32-Y42 WeakPolarHBondContact O-CD1 3.5Å; C37-Y42 WeakPolarHBondContact O-CA 3.3Å; C37-Y42 PolarHBondContact O-N 3.41Å; V38-Y42 HydrophobicContact CG2-CE1 4.03Å |
| 43 | M | 89.9 | Confident | 85.8 | Confident | 75 Ų | 75 | 58.7 Ų | 58.7 | 37% | 0.369 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 135.6 | 179.4 | -58.3 | 176.5 | 77.4 | 0 | 0 | 109.6 | R29 C30 T40 G41 M102 | R29-M43 HydrophobicContact CB-CE 4.22Å; C30-M43 WeakPolarHBondContact O-CA 3.41Å; T40-M43 WeakPolarHBondContact CB-O 3.27Å; T40-M43 PolarHBondContact OG1-O 2.8Å; G41-M43 PolarHBondContact O-N 3.44Å; M43-M102 HydrophobicContact CE-SD 4.08Å |
| 44 | C | 87.7 | Confident | 85.5 | Confident | 19 Ų | 19 | 61.4 Ų | 61.4 | 13% | 0.128 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 153.5 | 172.1 | 62.5 | 0 | 0 | 0 | 0 | 110.2 | R29 C30 C32 C69 | R29-C44 CarbonylContact C-O 3.59Å; R29-C44 VanDerWaalsContact CA-O 3.32Å; R29-C44 WeakPolarHBondContact CA-O 3.1Å; C30-C44 PolarHBondContact N-O 2.87Å; C30-C44 PolarHBondContact O-N 3.3Å; C32-C44 HydrophobicContact CB-CB 3.96Å; C44-C69 HydrophobicContact CB-CB 3.88Å; C44-C69 WeakPolarHBondContact CB-SG 3Å; C44-C69 PolarHBondContact O-SG 3.19Å; C44-C69 VanDerWaalsContact SG-CA 3.59Å; C44-C69 WeakPolarHBondContact SG-CB 2.9Å; C44-C69 PolarHBondContact SG-N 2.82Å; C44-C69 CovalentContact SG-SG 2.03Å; C44-C69 PolarHBondContact SG-SG 3.46Å |
| 45 | K | 87.1 | Confident | 85.2 | Confident | 109 Ų | 109 | 61.4 Ų | 61.4 | 47% | 0.474 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 126.3 | 172.4 | 171.3 | -175.3 | -175.6 | 145.7 | 0 | 108.2 | E27 C69 | E27-K45 HydrophobicContact CG-CD 4.26Å; E27-K45 HydrophobicContact CG-CG 3.99Å; E27-K45 WeakPolarHBondContact OE1-CD 3.5Å; E27-K45 WeakPolarHBondContact OE1-CE 3.34Å; E27-K45 WeakPolarHBondContact OE1-CG 3.21Å; E27-K45 IonicContact OE1-NZ 2.66Å; E27-K45 PolarHBondContact OE1-NZ 2.86Å; E27-K45 VanDerWaalsContact OE2-CE 3.3Å; E27-K45 WeakPolarHBondContact OE2-CE 3.38Å; E27-K45 IonicContact OE2-NZ 3.87Å; E27-K45 PolarHBondContact OE2-NZ 3.34Å; K45-C69 VanDerWaalsContact C-SG 3.52Å |
| 46 | S | 80.5 | Confident | 84.4 | Confident | 2 Ų | 2 | 60.6 Ų | 60.6 | 1% | 0.014 | 33% | 0.332 | C | S | . | . | trans | -97 | 117.5 | 175.1 | 176.1 | 0 | 0 | 0 | 0 | 110.5 | I28 L48 N49 A50 | I28-S46 PolarHBondContact O-N 3.48Å; S46-L48 VanDerWaalsContact C-N 3.26Å; S46-L48 PolarHBondContact O-N 3.32Å; S46-L48 PolarHBondContact OG-N 3.41Å; S46-N49 PolarHBondContact O-N 2.92Å; S46-N49 PolarHBondContact OG-N 3.18Å; S46-A50 WeakPolarHBondContact CB-O 3.44Å; S46-A50 PolarHBondContact OG-N 2.88Å; S46-A50 PolarHBondContact OG-O 3.26Å | ||
| 47 | D | 79.1 | Confident | 83.7 | Confident | 104 Ų | 104 | 57.2 Ų | 57.2 | 56% | 0.556 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -28.7 | 172.9 | -67.1 | -28.5 | 0 | 0 | 0 | 112.2 | N49 P72 | D47-N49 VanDerWaalsContact C-N 3.3Å; D47-N49 PolarHBondContact O-N 2.89Å; D47-P72 HydrophobicContact CB-CG 4.49Å |
| 48 | L | 74.5 | Confident | 82.5 | Confident | 68 Ų | 68 | 61 Ų | 61 | 36% | 0.356 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | 10.7 | 176.4 | -64.6 | 177.8 | 0 | 0 | 0 | 114 | S46 A50 L70 A77 | S46-L48 VanDerWaalsContact C-N 3.26Å; S46-L48 PolarHBondContact O-N 3.32Å; S46-L48 PolarHBondContact OG-N 3.41Å; L48-A50 PolarHBondContact O-N 3.44Å; L48-L70 HydrophobicContact CD1-CB 4.18Å; L48-A77 HydrophobicContact CD1-CB 4.42Å |
| 49 | N | 78.8 | Confident | 81.2 | Confident | 55 Ų | 55 | 65.5 Ų | 65.5 | 29% | 0.294 | 36% | 0.361 | S | S | . | . | S | Bend | trans | 50.6 | 40.1 | -178.4 | -74.9 | 90.1 | 0 | 0 | 0 | 113.2 | I28 S46 D47 H99 | I28-N49 HydrophobicContact CD1-CB 3.8Å; I28-N49 WeakPolarHBondContact CD1-O 3.39Å; S46-N49 PolarHBondContact O-N 2.92Å; S46-N49 PolarHBondContact OG-N 3.18Å; D47-N49 VanDerWaalsContact C-N 3.3Å; D47-N49 PolarHBondContact O-N 2.89Å; N49-H99 PolarHBondContact O-ND1 3.47Å |
| 50 | A | 84.5 | Confident | 80.1 | Confident | 3 Ų | 3 | 64 Ų | 64 | 3% | 0.025 | 34% | 0.339 | C | S | . | . | trans | -145.9 | 132.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | S46 L48 L70 C98 | S46-A50 WeakPolarHBondContact CB-O 3.44Å; S46-A50 PolarHBondContact OG-N 2.88Å; S46-A50 PolarHBondContact OG-O 3.26Å; L48-A50 PolarHBondContact O-N 3.44Å; A50-L70 HydrophobicContact CB-CD1 3.78Å; A50-C98 WeakPolarHBondContact CA-O 2.97Å | ||
| 51 | C | 87.3 | Confident | 79.1 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 152 | 173.6 | -50 | 0 | 0 | 0 | 0 | 110.1 | C30 C97 C98 C103 N104 | C30-C51 VanDerWaalsContact CA-SG 3.57Å; C30-C51 HydrophobicContact CB-CB 3.57Å; C30-C51 WeakPolarHBondContact CB-SG 3.44Å; C30-C51 WeakPolarHBondContact SG-CA 3.15Å; C30-C51 WeakPolarHBondContact SG-CB 3.38Å; C30-C51 CovalentContact SG-SG 2.02Å; C30-C51 PolarHBondContact SG-SG 2.88Å; C51-C97 VanDerWaalsContact O-CA 3.24Å; C51-C97 WeakPolarHBondContact O-CA 3.37Å; C51-C98 PolarHBondContact N-O 3.37Å; C51-C98 PolarHBondContact O-N 2.87Å; C51-C103 VanDerWaalsContact SG-SG 3.69Å; C51-N104 HydrophobicContact CB-CB 4.01Å |
| 52 | F | 87.1 | Confident | 78 | Confident | 37 Ų | 37 | 69.7 Ų | 69.7 | 16% | 0.162 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 154.3 | 173.2 | 79.1 | -91.5 | 0 | 0 | 0 | 112.6 | K54 T66 H67 G68 C69 L70 L95 E96 N104 | F52-K54 HydrophobicContact CD2-CB 4.19Å; F52-K54 HydrophobicContact CE2-CB 4.25Å; F52-T66 HydrophobicContact CE2-CG2 4.31Å; F52-H67 WeakPolarHBondContact O-CA 3.47Å; F52-G68 WeakPolarHBondContact CD1-O 3.15Å; F52-G68 PolarHBondContact N-O 3.46Å; F52-G68 PolarHBondContact O-N 3.16Å; F52-C69 WeakPolarHBondContact CE1-O 3.32Å; F52-L70 HydrophobicContact CB-CD2 3.98Å; F52-L70 HydrophobicContact CD1-CD2 3.64Å; F52-L70 HydrophobicContact CD1-CG 4.3Å; F52-L70 HydrophobicContact CE1-CD2 4.46Å; F52-L70 HydrophobicContact CG-CD2 4.07Å; F52-L95 HydrophobicContact CB-CD1 4.03Å; F52-L95 HydrophobicContact CD2-CD1 3.77Å; F52-L95 HydrophobicContact CG-CD1 4.24Å; F52-E96 CarbonylContact C-O 3.53Å; F52-E96 WeakPolarHBondContact CA-O 3.32Å; F52-N104 PolarHBondContact O-ND2 3.41Å |
| 53 | T | 85.4 | Confident | 77 | Confident | 11 Ų | 11 | 65 Ų | 65 | 7% | 0.067 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 122 | 167.4 | -60.5 | 0 | 0 | 0 | 0 | 107.7 | L65 T66 H67 L95 E96 N104 | T53-L65 HydrophobicContact CG2-CB 4.42Å; T53-L65 HydrophobicContact CG2-CD2 3.78Å; T53-T66 CarbonylContact C-O 3.5Å; T53-T66 WeakPolarHBondContact CA-O 3.38Å; T53-H67 PolarHBondContact OG1-ND1 3.42Å; T53-H67 VanDerWaalsContact OG1-ND1 3.16Å; T53-L95 WeakPolarHBondContact O-CA 3.37Å; T53-E96 PolarHBondContact N-O 3.48Å; T53-E96 PolarHBondContact O-N 3.42Å; T53-N104 WeakPolarHBondContact OG1-CB 3.3Å |
| 54 | K | 82.8 | Confident | 76.2 | Confident | 113 Ų | 113 | 65.5 Ų | 65.5 | 49% | 0.491 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 131.1 | -179.9 | -172.1 | 179.5 | 175.6 | -179.8 | 0 | 109.9 | F52 L65 T66 M94 L95 | F52-K54 HydrophobicContact CD2-CB 4.19Å; F52-K54 HydrophobicContact CE2-CB 4.25Å; K54-L65 CarbonylContact O-C 3.55Å; K54-L65 WeakPolarHBondContact O-CA 3.44Å; K54-T66 PolarHBondContact N-O 3.49Å; K54-T66 PolarHBondContact O-N 3.02Å; K54-M94 WeakPolarHBondContact CA-O 3.31Å; K54-L95 HydrophobicContact CB-CD1 3.64Å; K54-L95 HydrophobicContact CD-CD1 4.42Å; K54-L95 HydrophobicContact CG-CD1 4.05Å |
| 55 | V | 80.2 | Confident | 75.8 | Confident | 25 Ų | 25 | 67.7 Ų | 67.7 | 15% | 0.152 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 132.1 | 170.3 | -173.2 | 0 | 0 | 0 | 0 | 109.8 | L65 M94 | V55-L65 HydrophobicContact CG2-CD2 4.2Å; V55-L65 HydrophobicContact CG2-CG 4.15Å; V55-M94 HydrophobicContact CB-CB 3.85Å; V55-M94 HydrophobicContact CB-CE 3.81Å; V55-M94 HydrophobicContact CB-CG 3.6Å; V55-M94 HydrophobicContact CB-SD 3.37Å; V55-M94 WeakPolarHBondContact CB-SD 3.3Å; V55-M94 HydrophobicContact CG1-CE 3.6Å; V55-M94 HydrophobicContact CG1-CG 4.4Å; V55-M94 HydrophobicContact CG1-SD 3.53Å; V55-M94 VanDerWaalsContact CG1-SD 3.53Å; V55-M94 HydrophobicContact CG2-CB 4.16Å; V55-M94 HydrophobicContact CG2-CE 3.81Å; V55-M94 HydrophobicContact CG2-CG 3.64Å; V55-M94 HydrophobicContact CG2-SD 3.87Å; V55-M94 PolarHBondContact N-O 2.84Å; V55-M94 VanDerWaalsContact N-O 3.09Å |
| 56 | L | 70.8 | Confident | 75.7 | Confident | 99 Ų | 99 | 64.4 Ų | 64.4 | 52% | 0.518 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -77.2 | -34.7 | -173.7 | -91.6 | 68.6 | 0 | 0 | 0 | 113.5 | P64 T66 | L56-P64 HydrophobicContact CB-CG 4.2Å; L56-P64 HydrophobicContact CD2-CG 4.32Å; L56-P64 PolarHBondContact N-O 3.13Å; L56-P64 VanDerWaalsContact N-O 3.09Å; L56-T66 WeakPolarHBondContact CD1-OG1 3.38Å |
| 57 | D | 70.3 | Confident | 76 | Confident | 67 Ų | 67 | 65.4 Ų | 65.4 | 36% | 0.358 | 36% | 0.359 | S | S | . | . | trans | -128.9 | 108.3 | -179.2 | 173.4 | 13 | 0 | 0 | 0 | 110.6 | M59 S63 | D57-M59 VanDerWaalsContact C-N 3.26Å; D57-M59 PolarHBondContact O-N 2.92Å; D57-M59 PolarHBondContact OD1-N 2.97Å; D57-S63 VanDerWaalsContact CB-OG 3.23Å; D57-S63 WeakPolarHBondContact CB-OG 3.42Å; D57-S63 WeakPolarHBondContact O-CB 3.34Å; D57-S63 PolarHBondContact O-OG 2.99Å | ||
| 58 | P | 64 | Low | 76.4 | Confident | 80 Ų | 80 | 60.5 Ų | 60.5 | 52% | 0.519 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -10 | -176.9 | 30 | -34 | 0 | 0 | 0 | 114.5 | M94 | P58-M94 WeakPolarHBondContact CA-SD 3.01Å; P58-M94 HydrophobicContact CB-SD 3.67Å |
| 59 | M | 63.7 | Low | 77 | Confident | 171 Ų | 171 | 58 Ų | 58 | 84% | 0.842 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | -12 | -179 | -71.3 | -68.9 | 103.7 | 0 | 0 | 113.5 | D57 | D57-M59 VanDerWaalsContact C-N 3.26Å; D57-M59 PolarHBondContact O-N 2.92Å; D57-M59 PolarHBondContact OD1-N 2.97Å |
| 60 | N | 64.3 | Low | 77 | Confident | 71 Ų | 71 | 56.1 Ų | 56.1 | 38% | 0.38 | 31% | 0.311 | S | S | . | . | trans | -116.9 | 128.4 | -180 | 176.4 | 42.2 | 0 | 0 | 0 | 110.7 | N62 S63 | N60-N62 PolarHBondContact O-N 3.38Å; N60-S63 VanDerWaalsContact CB-OG 3.32Å; N60-S63 WeakPolarHBondContact CB-OG 3.42Å; N60-S63 WeakPolarHBondContact O-CB 3.31Å; N60-S63 PolarHBondContact O-N 3.36Å; N60-S63 PolarHBondContact O-OG 2.95Å | ||
| 61 | S | 66.1 | Low | 76.4 | Confident | 116 Ų | 116 | 60.9 Ų | 60.9 | 81% | 0.811 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -15.6 | -178.7 | 54.6 | 0 | 0 | 0 | 0 | 113.4 | ||
| 62 | N | 65.7 | Low | 75.1 | Confident | 136 Ų | 136 | 64.6 Ų | 64.6 | 73% | 0.727 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.3 | 24.1 | 177.4 | -60.9 | -62.1 | 0 | 0 | 0 | 112.7 | N60 | N60-N62 PolarHBondContact O-N 3.38Š|
| 63 | S | 67.1 | Low | 73.6 | Confident | 5 Ų | 5 | 70.5 Ų | 70.5 | 4% | 0.035 | 39% | 0.392 | C | S | . | . | P | Polyproline II helix | trans | -66 | 142.1 | -177.4 | -68.5 | 0 | 0 | 0 | 0 | 112.3 | D57 N60 L65 | D57-S63 VanDerWaalsContact CB-OG 3.23Å; D57-S63 WeakPolarHBondContact CB-OG 3.42Å; D57-S63 WeakPolarHBondContact O-CB 3.34Å; D57-S63 PolarHBondContact O-OG 2.99Å; N60-S63 VanDerWaalsContact CB-OG 3.32Å; N60-S63 WeakPolarHBondContact CB-OG 3.42Å; N60-S63 WeakPolarHBondContact O-CB 3.31Å; N60-S63 PolarHBondContact O-N 3.36Å; N60-S63 PolarHBondContact O-OG 2.95Å; S63-L65 WeakPolarHBondContact O-CD1 3.43Å; S63-L65 PolarHBondContact O-N 3.22Å |
| 64 | P | 74.3 | Confident | 72.3 | Confident | 84 Ų | 84 | 72.6 Ų | 72.6 | 55% | 0.545 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -59.8 | 134.4 | 177 | 23 | -29.8 | 0 | 0 | 0 | 109.9 | L56 | L56-P64 HydrophobicContact CB-CG 4.2Å; L56-P64 HydrophobicContact CD2-CG 4.32Å; L56-P64 PolarHBondContact N-O 3.13Å; L56-P64 VanDerWaalsContact N-O 3.09Å |
| 65 | L | 78.8 | Confident | 71 | Confident | 66 Ų | 66 | 73.5 Ų | 73.5 | 35% | 0.346 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 138.4 | 174.3 | -63.8 | 90 | 0 | 0 | 0 | 108.4 | T53 K54 V55 S63 | T53-L65 HydrophobicContact CG2-CB 4.42Å; T53-L65 HydrophobicContact CG2-CD2 3.78Å; K54-L65 CarbonylContact O-C 3.55Å; K54-L65 WeakPolarHBondContact O-CA 3.44Å; V55-L65 HydrophobicContact CG2-CD2 4.2Å; V55-L65 HydrophobicContact CG2-CG 4.15Å; S63-L65 WeakPolarHBondContact O-CD1 3.43Å; S63-L65 PolarHBondContact O-N 3.22Å |
| 66 | T | 83.6 | Confident | 69.9 | Low | 39 Ų | 39 | 72.5 Ų | 72.5 | 24% | 0.239 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 139.8 | 174.7 | -76.2 | 0 | 0 | 0 | 0 | 110 | D33 F52 T53 K54 L56 | D33-T66 WeakPolarHBondContact OD1-CG2 3.38Å; D33-T66 VanDerWaalsContact OD2-CA 3.3Å; D33-T66 WeakPolarHBondContact OD2-CA 3.46Å; D33-T66 PolarHBondContact OD2-OG1 3.37Å; D33-T66 VanDerWaalsContact OD2-OG1 3.05Å; F52-T66 HydrophobicContact CE2-CG2 4.31Å; T53-T66 CarbonylContact C-O 3.5Å; T53-T66 WeakPolarHBondContact CA-O 3.38Å; K54-T66 PolarHBondContact N-O 3.49Å; K54-T66 PolarHBondContact O-N 3.02Å; L56-T66 WeakPolarHBondContact CD1-OG1 3.38Å |
| 67 | H | 87.9 | Confident | 69.2 | Low | 23 Ų | 23 | 70.1 Ų | 70.1 | 11% | 0.106 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 146.4 | -170.5 | -62.6 | -86.9 | 0 | 0 | 0 | 109.9 | Y31 C32 D33 F52 T53 N104 | Y31-H67 HydrophobicContact CD1-CB 3.75Å; Y31-H67 AromaticContact CD1-CG 3.89Å; Y31-H67 HydrophobicContact CE1-CB 4.38Å; Y31-H67 CarbonylContact O-C 3.6Å; C32-H67 WeakPolarHBondContact CA-O 3.26Å; D33-H67 PolarHBondContact N-O 3.45Å; D33-H67 PolarHBondContact OD1-N 2.89Å; F52-H67 WeakPolarHBondContact O-CA 3.47Å; T53-H67 PolarHBondContact OG1-ND1 3.42Å; T53-H67 VanDerWaalsContact OG1-ND1 3.16Å; H67-N104 PolarHBondContact CE1-O 2.98Å; H67-N104 VanDerWaalsContact CE1-O 3.31Å; H67-N104 PolarHBondContact ND1-O 3.45Å |
| 68 | G | 87.4 | Confident | 68.6 | Low | 2 Ų | 2 | 72.5 Ų | 72.5 | 2% | 0.021 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 179.3 | -167.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y31 F52 | Y31-G68 WeakPolarHBondContact O-CA 3.23Å; Y31-G68 PolarHBondContact O-N 3Å; F52-G68 WeakPolarHBondContact CD1-O 3.15Å; F52-G68 PolarHBondContact N-O 3.46Å; F52-G68 PolarHBondContact O-N 3.16Å |
| 69 | C | 87.4 | Confident | 68.7 | Low | 16 Ų | 16 | 73 Ų | 73 | 11% | 0.108 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 148.2 | 176.3 | -66.7 | 0 | 0 | 0 | 0 | 109.9 | C30 C44 K45 F52 D71 | C30-C69 VanDerWaalsContact CB-SG 3.52Å; C44-C69 HydrophobicContact CB-CB 3.88Å; C44-C69 WeakPolarHBondContact CB-SG 3Å; C44-C69 PolarHBondContact O-SG 3.19Å; C44-C69 VanDerWaalsContact SG-CA 3.59Å; C44-C69 WeakPolarHBondContact SG-CB 2.9Å; C44-C69 PolarHBondContact SG-N 2.82Å; C44-C69 CovalentContact SG-SG 2.03Å; C44-C69 PolarHBondContact SG-SG 3.46Å; K45-C69 VanDerWaalsContact C-SG 3.52Å; F52-C69 WeakPolarHBondContact CE1-O 3.32Å; C69-D71 PolarHBondContact O-N 3.34Å |
| 70 | L | 78.1 | Confident | 68.9 | Low | 15 Ų | 15 | 65.8 Ų | 65.8 | 8% | 0.079 | 39% | 0.386 | C | S | . | . | P | Polyproline II helix | trans | -81.9 | 117.1 | 172.7 | -62.9 | 175.9 | 0 | 0 | 0 | 109.5 | L48 A50 F52 A76 C80 | L48-L70 HydrophobicContact CD1-CB 4.18Å; A50-L70 HydrophobicContact CB-CD1 3.78Å; F52-L70 HydrophobicContact CB-CD2 3.98Å; F52-L70 HydrophobicContact CD1-CD2 3.64Å; F52-L70 HydrophobicContact CD1-CG 4.3Å; F52-L70 HydrophobicContact CE1-CD2 4.46Å; F52-L70 HydrophobicContact CG-CD2 4.07Å; L70-A76 HydrophobicContact CB-CB 3.88Å; L70-A76 HydrophobicContact CD1-CB 4Å; L70-A76 HydrophobicContact CD2-CB 3.49Å; L70-A76 VanDerWaalsContact CD2-CB 3.49Å; L70-A76 HydrophobicContact CG-CB 3.96Å; L70-C80 HydrophobicContact CD1-CB 4.35Å; L70-C80 WeakPolarHBondContact CD1-SG 3.43Å |
| 71 | D | 72.4 | Confident | 68.7 | Low | 103 Ų | 103 | 67 Ų | 67 | 55% | 0.551 | 40% | 0.4 | S | S | * | . | P | Polyproline II helix | trans | -74.1 | 140.5 | 170.3 | -74.4 | -35.1 | 0 | 0 | 0 | 110.3 | C69 I73 A74 | C69-D71 PolarHBondContact O-N 3.34Å; D71-I73 PolarHBondContact O-N 2.81Å; D71-I73 VanDerWaalsContact O-N 3.08Å; D71-A74 PolarHBondContact O-N 3.46Å |
| 72 | P | 59 | Low | 68.1 | Low | 78 Ų | 78 | 65.4 Ų | 65.4 | 51% | 0.506 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -12.4 | 178.4 | 22.7 | -29.8 | 0 | 0 | 0 | 114.1 | D47 | D47-P72 HydrophobicContact CB-CG 4.49Š|
| 73 | I | 55.8 | Low | 67.4 | Low | 160 Ų | 160 | 67 Ų | 67 | 82% | 0.821 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | -28.3 | -179.4 | -55.9 | 169.4 | 0 | 0 | 0 | 111.4 | D71 | D71-I73 PolarHBondContact O-N 2.81Å; D71-I73 VanDerWaalsContact O-N 3.08Å |
| 74 | A | 58.3 | Low | 66.3 | Low | 56 Ų | 56 | 74 Ų | 74 | 46% | 0.463 | 43% | 0.427 | S | S | . | . | S | Bend | trans | -77.6 | 138.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | D71 A76 | D71-A74 PolarHBondContact O-N 3.46Å; A74-A76 HydrophobicContact CB-CB 4.25Å; A74-A76 PolarHBondContact O-N 3.29Å |
| 75 | N | 55.1 | Low | 64.7 | Low | 131 Ų | 131 | 75 Ų | 75 | 70% | 0.701 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | 43.7 | 173.7 | -66.8 | -33.9 | 0 | 0 | 0 | 112.5 | I79 | N75-I79 VanDerWaalsContact O-CG1 3.32Å; N75-I79 WeakPolarHBondContact O-CG1 3.23Å |
| 76 | A | 57.3 | Low | 62.7 | Low | 4 Ų | 4 | 79.1 Ų | 79.1 | 3% | 0.033 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -82.2 | -26.8 | -168.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L70 A74 D78 I79 C80 | L70-A76 HydrophobicContact CB-CB 3.88Å; L70-A76 HydrophobicContact CD1-CB 4Å; L70-A76 HydrophobicContact CD2-CB 3.49Å; L70-A76 VanDerWaalsContact CD2-CB 3.49Å; L70-A76 HydrophobicContact CG-CB 3.96Å; A74-A76 HydrophobicContact CB-CB 4.25Å; A74-A76 PolarHBondContact O-N 3.29Å; A76-D78 PolarHBondContact O-N 3.38Å; A76-I79 PolarHBondContact O-N 3Å; A76-I79 VanDerWaalsContact O-N 3.16Å; A76-C80 PolarHBondContact O-N 2.85Å |
| 77 | A | 56.7 | Low | 61 | Low | 50 Ų | 50 | 82 Ų | 82 | 41% | 0.413 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -58.8 | -37.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L48 S81 | L48-A77 HydrophobicContact CD1-CB 4.42Å; A77-S81 WeakPolarHBondContact O-CB 2.87Å; A77-S81 PolarHBondContact O-N 3.24Å; A77-S81 PolarHBondContact O-OG 3.23Å |
| 78 | D | 58.6 | Low | 59.2 | Low | 117 Ų | 117 | 88.6 Ų | 88.6 | 63% | 0.626 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -73.7 | -35.7 | 176.4 | -66.9 | -31.5 | 0 | 0 | 0 | 111.8 | A76 S82 | A76-D78 PolarHBondContact O-N 3.38Å; D78-S82 VanDerWaalsContact O-CB 3.29Å; D78-S82 WeakPolarHBondContact O-CB 3.37Å; D78-S82 PolarHBondContact O-N 3.47Å; D78-S82 VanDerWaalsContact O-N 3.09Å |
| 79 | I | 65.2 | Low | 57 | Low | 89 Ų | 89 | 92.4 Ų | 92.4 | 46% | 0.456 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -69.5 | -37.3 | -179.4 | -54.4 | 166.5 | 0 | 0 | 0 | 111.1 | N75 A76 L95 | N75-I79 VanDerWaalsContact O-CG1 3.32Å; N75-I79 WeakPolarHBondContact O-CG1 3.23Å; A76-I79 PolarHBondContact O-N 3Å; A76-I79 VanDerWaalsContact O-N 3.16Å; I79-L95 HydrophobicContact CB-CD2 4.25Å; I79-L95 HydrophobicContact CG2-CD2 3.35Å |
| 80 | C | 68.2 | Low | 55 | Low | 21 Ų | 21 | 101.3 Ų | 101.3 | 14% | 0.142 | 58% | 0.583 | C | S | . | * | H | α-helix | trans | -86.3 | -21.8 | 177.4 | -62.5 | 0 | 0 | 0 | 0 | 114 | L70 A76 C97 | L70-C80 HydrophobicContact CD1-CB 4.35Å; L70-C80 WeakPolarHBondContact CD1-SG 3.43Å; A76-C80 PolarHBondContact O-N 2.85Å; C80-C97 HydrophobicContact CB-CB 3.51Å; C80-C97 WeakPolarHBondContact CB-SG 3.23Å; C80-C97 WeakPolarHBondContact SG-CB 3.35Å; C80-C97 CovalentContact SG-SG 2.02Å; C80-C97 PolarHBondContact SG-SG 3.35Å |
| 81 | S | 58.8 | Low | 53.4 | Low | 96 Ų | 96 | 104.2 Ų | 104.2 | 67% | 0.671 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -82.6 | -19 | 174.4 | -62.3 | 0 | 0 | 0 | 0 | 113.2 | A77 K83 | A77-S81 WeakPolarHBondContact O-CB 2.87Å; A77-S81 PolarHBondContact O-N 3.24Å; A77-S81 PolarHBondContact O-OG 3.23Å; S81-K83 PolarHBondContact O-N 2.78Å |
| 82 | S | 54.6 | Low | 52.4 | Low | 83 Ų | 83 | 105.7 Ų | 105.7 | 58% | 0.58 | 62% | 0.623 | S | S | * | * | trans | -76.2 | 26.2 | -179.7 | -160.2 | 0 | 0 | 0 | 0 | 114.2 | D78 N84 | D78-S82 VanDerWaalsContact O-CB 3.29Å; D78-S82 WeakPolarHBondContact O-CB 3.37Å; D78-S82 PolarHBondContact O-N 3.47Å; D78-S82 VanDerWaalsContact O-N 3.09Å; S82-N84 PolarHBondContact O-N 2.91Å | ||
| 83 | K | 50.2 | Low | 52.1 | Low | 169 Ų | 169 | 106 Ų | 106 | 74% | 0.735 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | 32.9 | 178.7 | -153.7 | -178 | -178.6 | 176.2 | 0 | 113 | S81 | S81-K83 PolarHBondContact O-N 2.78Š|
| 84 | N | 44.1 | Very low | 52.6 | Low | 153 Ų | 153 | 101.9 Ų | 101.9 | 82% | 0.818 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -140.5 | 15.5 | 179 | -131 | 16.8 | 0 | 0 | 0 | 117.3 | S82 | S82-N84 PolarHBondContact O-N 2.91Š|
| 85 | T | 40.3 | Very low | 53.4 | Low | 104 Ų | 104 | 102 Ų | 102 | 64% | 0.638 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -139.8 | 98.4 | 167.6 | 55.8 | 0 | 0 | 0 | 0 | 111.1 | ||
| 86 | N | 38 | Very low | 54.7 | Low | 152 Ų | 152 | 100.5 Ų | 100.5 | 81% | 0.813 | 59% | 0.587 | S | S | * | * | trans | 63.5 | 122 | 147.6 | -55.9 | -18.8 | 0 | 0 | 0 | 117.9 | L88 | N86-L88 PolarHBondContact O-N 2.65Š| ||
| 87 | A | 47.9 | Very low | 56 | Low | 99 Ų | 99 | 101.7 Ų | 101.7 | 82% | 0.818 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -45.2 | 97.6 | 157.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 88 | L | 50.4 | Low | 57.3 | Low | 162 Ų | 162 | 100.8 Ų | 100.8 | 85% | 0.848 | 59% | 0.585 | S | S | * | * | trans | 178.9 | 88.7 | 158.3 | -103.8 | 142.3 | 0 | 0 | 0 | 110.8 | N86 | N86-L88 PolarHBondContact O-N 2.65Š| ||
| 89 | S | 39.7 | Very low | 58.6 | Low | 82 Ų | 82 | 100.4 Ų | 100.4 | 57% | 0.573 | 58% | 0.579 | S | S | * | * | trans | -172.5 | 102.8 | 145.1 | -89.6 | 0 | 0 | 0 | 0 | 109.7 | G91 L92 S93 | S89-G91 PolarHBondContact O-N 3.26Å; S89-L92 PolarHBondContact O-N 3.26Å; S89-S93 PolarHBondContact O-OG 3.41Å | ||
| 90 | E | 46.6 | Very low | 59.4 | Low | 204 Ų | 204 | 101.7 Ų | 101.7 | 95% | 0.953 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.2 | 29.2 | 179.8 | -73.6 | 171.7 | 119 | 0 | 0 | 115.3 | ||
| 91 | G | 45 | Very low | 60.3 | Low | 75 Ų | 75 | 104.6 Ų | 104.6 | 77% | 0.773 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.9 | -6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | S89 | S89-G91 PolarHBondContact O-N 3.26Š|
| 92 | L | 51.1 | Low | 61.5 | Low | 135 Ų | 135 | 104.1 Ų | 104.1 | 71% | 0.707 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -118.3 | 6.9 | -176.9 | -75.9 | 155.3 | 0 | 0 | 0 | 112.2 | S89 M94 | S89-L92 PolarHBondContact O-N 3.26Å; L92-M94 VanDerWaalsContact C-N 3.3Å; L92-M94 PolarHBondContact O-N 2.94Å |
| 93 | S | 53.2 | Low | 63 | Low | 83 Ų | 83 | 102.4 Ų | 102.4 | 58% | 0.58 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | 20 | -153.1 | -39.6 | 0 | 0 | 0 | 0 | 116.7 | S89 | S89-S93 PolarHBondContact O-OG 3.41Š|
| 94 | M | 65.9 | Low | 64.7 | Low | 75 Ų | 75 | 94.6 Ų | 94.6 | 37% | 0.369 | 54% | 0.543 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -152.1 | 26.2 | -171.8 | -115 | 168.5 | 165.2 | 0 | 0 | 115.2 | K54 V55 P58 L92 | K54-M94 WeakPolarHBondContact CA-O 3.31Å; V55-M94 HydrophobicContact CB-CB 3.85Å; V55-M94 HydrophobicContact CB-CE 3.81Å; V55-M94 HydrophobicContact CB-CG 3.6Å; V55-M94 HydrophobicContact CB-SD 3.37Å; V55-M94 WeakPolarHBondContact CB-SD 3.3Å; V55-M94 HydrophobicContact CG1-CE 3.6Å; V55-M94 HydrophobicContact CG1-CG 4.4Å; V55-M94 HydrophobicContact CG1-SD 3.53Å; V55-M94 VanDerWaalsContact CG1-SD 3.53Å; V55-M94 HydrophobicContact CG2-CB 4.16Å; V55-M94 HydrophobicContact CG2-CE 3.81Å; V55-M94 HydrophobicContact CG2-CG 3.64Å; V55-M94 HydrophobicContact CG2-SD 3.87Å; V55-M94 PolarHBondContact N-O 2.84Å; V55-M94 VanDerWaalsContact N-O 3.09Å; P58-M94 WeakPolarHBondContact CA-SD 3.01Å; P58-M94 HydrophobicContact CB-SD 3.67Å; L92-M94 VanDerWaalsContact C-N 3.3Å; L92-M94 PolarHBondContact O-N 2.94Å |
| 95 | L | 75.4 | Confident | 66.8 | Low | 58 Ų | 58 | 94.3 Ų | 94.3 | 30% | 0.304 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 121.8 | 169.2 | -168.1 | 77 | 0 | 0 | 0 | 110.1 | F52 T53 K54 I79 | F52-L95 HydrophobicContact CB-CD1 4.03Å; F52-L95 HydrophobicContact CD2-CD1 3.77Å; F52-L95 HydrophobicContact CG-CD1 4.24Å; T53-L95 WeakPolarHBondContact O-CA 3.37Å; K54-L95 HydrophobicContact CB-CD1 3.64Å; K54-L95 HydrophobicContact CD-CD1 4.42Å; K54-L95 HydrophobicContact CG-CD1 4.05Å; I79-L95 HydrophobicContact CB-CD2 4.25Å; I79-L95 HydrophobicContact CG2-CD2 3.35Å |
| 96 | E | 81.3 | Confident | 68.3 | Low | 100 Ų | 100 | 95.3 Ų | 95.3 | 47% | 0.467 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 132.5 | 174.3 | -178.8 | 170.6 | -158.9 | 0 | 0 | 109.5 | F52 T53 R106 | F52-E96 CarbonylContact C-O 3.53Å; F52-E96 WeakPolarHBondContact CA-O 3.32Å; T53-E96 PolarHBondContact N-O 3.48Å; T53-E96 PolarHBondContact O-N 3.42Å; E96-R106 IonicContact OE2-NH2 3.84Å |
| 97 | C | 84.5 | Confident | 69.5 | Low | 29 Ų | 29 | 89.4 Ų | 89.4 | 20% | 0.196 | 50% | 0.499 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 145.5 | 179.3 | -42.9 | 0 | 0 | 0 | 0 | 111.3 | C51 C80 | C51-C97 VanDerWaalsContact O-CA 3.24Å; C51-C97 WeakPolarHBondContact O-CA 3.37Å; C80-C97 HydrophobicContact CB-CB 3.51Å; C80-C97 WeakPolarHBondContact CB-SG 3.23Å; C80-C97 WeakPolarHBondContact SG-CB 3.35Å; C80-C97 CovalentContact SG-SG 2.02Å; C80-C97 PolarHBondContact SG-SG 3.35Å |
| 98 | C | 83.5 | Confident | 69.6 | Low | 31 Ų | 31 | 92.1 Ų | 92.1 | 21% | 0.209 | 50% | 0.498 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 157.8 | 179 | 57.1 | 0 | 0 | 0 | 0 | 111.3 | A50 C51 C103 | A50-C98 WeakPolarHBondContact CA-O 2.97Å; C51-C98 PolarHBondContact N-O 3.37Å; C51-C98 PolarHBondContact O-N 2.87Å; C98-C103 VanDerWaalsContact C-SG 3.54Å; C98-C103 HydrophobicContact CB-CB 3.78Å; C98-C103 WeakPolarHBondContact CB-SG 3.33Å; C98-C103 WeakPolarHBondContact SG-CB 3.34Å; C98-C103 CovalentContact SG-SG 2.02Å; C98-C103 PolarHBondContact SG-SG 2.98Å |
| 99 | H | 86.1 | Confident | 69.6 | Low | 108 Ų | 108 | 91.3 Ų | 91.3 | 50% | 0.5 | 49% | 0.49 | S | S | . | . | trans | -123.2 | 23.7 | -168.4 | -66.3 | -76.4 | 0 | 0 | 0 | 113.6 | I28 N49 | I28-H99 WeakPolarHBondContact CD1-O 3.39Å; N49-H99 PolarHBondContact O-ND1 3.47Å | ||
| 100 | D | 83.4 | Confident | 70.2 | Confident | 117 Ų | 117 | 90.3 Ų | 90.3 | 63% | 0.626 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -113.4 | 155.5 | 176.4 | -59.9 | -53.6 | 0 | 0 | 0 | 110.5 | M102 C103 | D100-M102 PolarHBondContact O-N 3.46Å; D100-C103 HydrophobicContact CB-CB 3.98Å; D100-C103 WeakPolarHBondContact O-CB 3.04Å; D100-C103 PolarHBondContact O-N 2.98Å; D100-C103 PolarHBondContact O-SG 3.38Å |
| 101 | D | 85.9 | Confident | 70.4 | Confident | 81 Ų | 81 | 86.9 Ų | 86.9 | 43% | 0.433 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | 125 | 179 | -166.7 | 62.5 | 0 | 0 | 0 | 110.9 | R29 C103 | R29-D101 PolarHBondContact N-OD1 3.4Å; D101-C103 PolarHBondContact O-N 3.36Å; D101-C103 VanDerWaalsContact O-N 3.11Å |
| 102 | M | 85.3 | Confident | 70.6 | Confident | 87 Ų | 87 | 86.4 Ų | 86.4 | 43% | 0.429 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53 | 27 | -178.3 | -57.3 | -177.9 | -71.9 | 0 | 0 | 114.9 | R29 M43 D100 N104 Y105 | R29-M102 WeakPolarHBondContact O-CA 3.22Å; R29-M102 PolarHBondContact O-N 3.02Å; M43-M102 HydrophobicContact CE-SD 4.08Å; D100-M102 PolarHBondContact O-N 3.46Å; M102-N104 PolarHBondContact O-N 3.39Å; M102-Y105 VanDerWaalsContact O-CB 3.3Å; M102-Y105 WeakPolarHBondContact O-CB 3.36Å; M102-Y105 PolarHBondContact O-N 3.45Å |
| 103 | C | 84.9 | Confident | 70.5 | Confident | 47 Ų | 47 | 85.7 Ų | 85.7 | 32% | 0.318 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -25.8 | -177.1 | 59.2 | 0 | 0 | 0 | 0 | 114.8 | C51 C98 D100 D101 Y105 | C51-C103 VanDerWaalsContact SG-SG 3.69Å; C98-C103 VanDerWaalsContact C-SG 3.54Å; C98-C103 HydrophobicContact CB-CB 3.78Å; C98-C103 WeakPolarHBondContact CB-SG 3.33Å; C98-C103 WeakPolarHBondContact SG-CB 3.34Å; C98-C103 CovalentContact SG-SG 2.02Å; C98-C103 PolarHBondContact SG-SG 2.98Å; D100-C103 HydrophobicContact CB-CB 3.98Å; D100-C103 WeakPolarHBondContact O-CB 3.04Å; D100-C103 PolarHBondContact O-N 2.98Å; D100-C103 PolarHBondContact O-SG 3.38Å; D101-C103 PolarHBondContact O-N 3.36Å; D101-C103 VanDerWaalsContact O-N 3.11Å; C103-Y105 VanDerWaalsContact C-N 3.27Å; C103-Y105 PolarHBondContact O-N 3.38Å |
| 104 | N | 87 | Confident | 70.1 | Confident | 4 Ų | 4 | 85.8 Ų | 85.8 | 2% | 0.021 | 44% | 0.444 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -2.2 | 178.1 | 67.6 | -23.4 | 0 | 0 | 0 | 113.4 | Y31 C51 F52 T53 H67 M102 R106 | Y31-N104 WeakPolarHBondContact CB-OD1 3.23Å; Y31-N104 PolarHBondContact N-OD1 3.21Å; Y31-N104 PolarHBondContact O-ND2 2.91Å; C51-N104 HydrophobicContact CB-CB 4.01Å; F52-N104 PolarHBondContact O-ND2 3.41Å; T53-N104 WeakPolarHBondContact OG1-CB 3.3Å; H67-N104 PolarHBondContact CE1-O 2.98Å; H67-N104 VanDerWaalsContact CE1-O 3.31Å; H67-N104 PolarHBondContact ND1-O 3.45Å; M102-N104 PolarHBondContact O-N 3.39Å; N104-R106 PolarHBondContact O-N 2.82Å |
| 105 | Y | 86.4 | Confident | 69.2 | Low | 147 Ų | 147 | 93.1 Ų | 93.1 | 58% | 0.576 | 47% | 0.468 | S | S | * | . | trans | -79.9 | 100.2 | 174.5 | -173.8 | -107.1 | 0 | 0 | 0 | 110.3 | Y31 M102 C103 G107 | Y31-Y105 HydrophobicContact CD1-CD2 4.4Å; Y31-Y105 AromaticContact CD2-CD2 3.77Å; Y31-Y105 HydrophobicContact CD2-CD2 3.77Å; Y31-Y105 HydrophobicContact CD2-CE2 4.27Å; Y31-Y105 HydrophobicContact CE2-CD2 4.17Å; Y31-Y105 HydrophobicContact CE2-CE2 4.25Å; Y31-Y105 AromaticContact CG-CD2 3.9Å; Y31-Y105 HydrophobicContact CG-CD2 3.9Å; M102-Y105 VanDerWaalsContact O-CB 3.3Å; M102-Y105 WeakPolarHBondContact O-CB 3.36Å; M102-Y105 PolarHBondContact O-N 3.45Å; C103-Y105 VanDerWaalsContact C-N 3.27Å; C103-Y105 PolarHBondContact O-N 3.38Å; Y105-G107 VanDerWaalsContact C-N 3.27Å; Y105-G107 PolarHBondContact O-N 2.83Å | ||
| 106 | R | 72.8 | Confident | 67.8 | Low | 125 Ų | 125 | 98.7 Ų | 98.7 | 47% | 0.472 | 49% | 0.492 | S | S | . | . | trans | -73.7 | 81.4 | 171.4 | -79.3 | -174.6 | 162 | 133.7 | 9.6 | 110.5 | E96 N104 D110 | E96-R106 IonicContact OE2-NH2 3.84Å; N104-R106 PolarHBondContact O-N 2.82Å; R106-D110 WeakPolarHBondContact CD-OD2 3.32Å; R106-D110 HydrophobicContact CG-CB 4.42Å; R106-D110 IonicContact CZ-OD2 2.78Å; R106-D110 IonicContact NE-OD1 3.06Å; R106-D110 IonicContact NE-OD2 3.67Å; R106-D110 PolarHBondContact NE-OD2 2.94Å | ||
| 107 | G | 63.3 | Low | 66.1 | Low | 29 Ų | 29 | 99 Ų | 99 | 30% | 0.299 | 51% | 0.506 | S | S | . | . | trans | -68.1 | -179.5 | 161.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y105 H109 D110 | Y105-G107 VanDerWaalsContact C-N 3.27Å; Y105-G107 PolarHBondContact O-N 2.83Å; G107-H109 PolarHBondContact O-N 3.26Å; G107-D110 PolarHBondContact O-N 2.84Å | ||
| 108 | L | 49.6 | Very low | 64.3 | Low | 155 Ų | 155 | 103.5 Ų | 103.5 | 81% | 0.812 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.5 | -7.6 | -179.1 | -159.3 | 70 | 0 | 0 | 0 | 115.8 | L111 | L108-L111 HydrophobicContact CD1-CD1 4.09Š|
| 109 | H | 51.4 | Low | 62.2 | Low | 146 Ų | 146 | 108.7 Ų | 108.7 | 68% | 0.676 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | -24.6 | 178.7 | -124.1 | 42.6 | 0 | 0 | 0 | 114.5 | G107 L111 A112 | G107-H109 PolarHBondContact O-N 3.26Å; H109-L111 VanDerWaalsContact C-N 3.3Å; H109-L111 PolarHBondContact O-N 3.31Å; H109-A112 PolarHBondContact O-N 3.21Å |
| 110 | D | 51.8 | Low | 60.5 | Low | 61 Ų | 61 | 113.9 Ų | 113.9 | 33% | 0.326 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -71.8 | -25.2 | -177.3 | -148.7 | 35.4 | 0 | 0 | 0 | 112.5 | R106 G107 A112 H113 T114 | R106-D110 WeakPolarHBondContact CD-OD2 3.32Å; R106-D110 HydrophobicContact CG-CB 4.42Å; R106-D110 IonicContact CZ-OD2 2.78Å; R106-D110 IonicContact NE-OD1 3.06Å; R106-D110 IonicContact NE-OD2 3.67Å; R106-D110 PolarHBondContact NE-OD2 2.94Å; G107-D110 PolarHBondContact O-N 2.84Å; D110-A112 PolarHBondContact O-N 3.37Å; D110-H113 PolarHBondContact O-N 3.3Å; D110-T114 PolarHBondContact O-N 2.93Å; D110-T114 VanDerWaalsContact O-N 3.1Å; D110-T114 PolarHBondContact O-OG1 2.66Å |
| 111 | L | 51.7 | Low | 58.6 | Low | 132 Ų | 132 | 110.2 Ų | 110.2 | 69% | 0.691 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -69.3 | -17.1 | 175.3 | -67.8 | 174 | 0 | 0 | 0 | 113.7 | L108 H109 | L108-L111 HydrophobicContact CD1-CD1 4.09Å; H109-L111 VanDerWaalsContact C-N 3.3Å; H109-L111 PolarHBondContact O-N 3.31Å |
| 112 | A | 48.5 | Very low | 56.8 | Low | 64 Ų | 64 | 117.7 Ų | 117.7 | 53% | 0.529 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -86.3 | -29.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | H109 D110 | H109-A112 PolarHBondContact O-N 3.21Å; D110-A112 PolarHBondContact O-N 3.37Å |
| 113 | H | 48.1 | Very low | 54.5 | Low | 120 Ų | 120 | 124.5 Ų | 124.5 | 56% | 0.556 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -103 | -23 | -174.5 | -69.7 | -56.9 | 0 | 0 | 0 | 114.4 | D110 R115 | D110-H113 PolarHBondContact O-N 3.3Å; H113-R115 PolarHBondContact O-N 3.12Å |
| 114 | T | 46.4 | Very low | 52.9 | Low | 85 Ų | 85 | 131.4 Ų | 131.4 | 52% | 0.521 | 65% | 0.645 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.7 | -14.3 | 176 | -46.1 | 0 | 0 | 0 | 0 | 113.4 | D110 | D110-T114 PolarHBondContact O-N 2.93Å; D110-T114 VanDerWaalsContact O-N 3.1Å; D110-T114 PolarHBondContact O-OG1 2.66Å |
| 115 | R | 45.6 | Very low | 51 | Low | 229 Ų | 229 | 136.8 Ų | 136.8 | 86% | 0.864 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | -10.2 | 179.5 | -96.2 | -174.1 | 145.4 | 108.4 | 0.1 | 115.5 | H113 | H113-R115 PolarHBondContact O-N 3.12Š|
| 116 | E | 46.9 | Very low | 48.9 | Very low | 175 Ų | 175 | 138.5 Ų | 138.5 | 82% | 0.818 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -99.7 | -9.6 | -175.9 | -156 | 88.5 | -156.5 | 0 | 0 | 113.1 | ||
| 117 | S | 44.7 | Very low | 47.6 | Very low | 107 Ų | 107 | 138.1 Ų | 138.1 | 75% | 0.748 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -112.2 | 5.1 | -168.4 | -52.7 | 0 | 0 | 0 | 0 | 116.5 | ||
| 118 | T | 47.3 | Very low | 47 | Very low | 123 Ų | 123 | 143.3 Ų | 143.3 | 76% | 0.755 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -134.9 | 75.9 | 171.7 | 50.8 | 0 | 0 | 0 | 0 | 110.9 | ||
| 119 | D | 39.7 | Very low | 46.8 | Very low | 141 Ų | 141 | 142.4 Ų | 142.4 | 75% | 0.754 | 73% | 0.726 | S | S | * | * | trans | -169 | 101.9 | 132.7 | -142.2 | -3.8 | 0 | 0 | 0 | 111.8 | G121 | D119-G121 PolarHBondContact O-N 3.06Å; D119-G121 VanDerWaalsContact O-N 3.17Å | ||
| 120 | H | 49.6 | Very low | 46.7 | Very low | 216 Ų | 216 | 145.9 Ų | 145.9 | 100% | 1 | 73% | 0.733 | S | S | * | * | trans | -81 | 74.1 | 153.6 | -104.9 | -36.9 | 0 | 0 | 0 | 107.4 | ||||
| 121 | G | 43.6 | Very low | 46.5 | Very low | 41 Ų | 41 | 148.4 Ų | 148.4 | 42% | 0.423 | 74% | 0.743 | S | S | . | * | trans | -145.4 | 109.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | D119 Y123 | D119-G121 PolarHBondContact O-N 3.06Å; D119-G121 VanDerWaalsContact O-N 3.17Å; G121-Y123 PolarHBondContact O-N 2.03Å | ||
| 122 | R | 48.5 | Very low | 46.6 | Very low | 238 Ų | 238 | 148 Ų | 148 | 90% | 0.898 | 74% | 0.741 | S | S | * | * | trans | -38.7 | 107.6 | 173.9 | -70 | 173.5 | 176.7 | 171.1 | -1.3 | 112.3 | ||||
| 123 | Y | 37.8 | Very low | 46.8 | Very low | 230 Ų | 230 | 150 Ų | 150 | 90% | 0.902 | 75% | 0.746 | S | S | * | * | trans | -162.9 | 130.6 | 144 | -87.7 | -69.1 | 0 | 0 | 0 | 108.7 | G121 P125 | G121-Y123 PolarHBondContact O-N 2.03Å; Y123-P125 WeakPolarHBondContact O-CD 3.01Å | ||
| 124 | Q | 51.5 | Low | 47.1 | Very low | 192 Ų | 192 | 148.1 Ų | 148.1 | 90% | 0.897 | 74% | 0.743 | S | S | * | * | trans | -79.5 | 132 | 171.6 | -176.9 | 157.6 | -5.3 | 0 | 0 | 108.8 | ||||
| 125 | P | 45.7 | Very low | 47.3 | Very low | 117 Ų | 117 | 150.1 Ų | 150.1 | 76% | 0.76 | 74% | 0.741 | S | S | * | * | trans | -133.1 | 161.5 | 149.7 | 32.7 | -16 | 0 | 0 | 0 | 112.9 | Y123 | Y123-P125 WeakPolarHBondContact O-CD 3.01Š| ||
| 126 | E | 41.8 | Very low | 47.7 | Very low | 183 Ų | 183 | 143.8 Ų | 143.8 | 86% | 0.855 | 73% | 0.728 | S | S | * | * | trans | -54.6 | 151.6 | -163.6 | -71.3 | -170.1 | 113.9 | 0 | 0 | 118.1 | N128 | E126-N128 VanDerWaalsContact C-N 3.33Å; E126-N128 PolarHBondContact O-N 3.34Å | ||
| 127 | S | 46.7 | Very low | 47.8 | Very low | 116 Ų | 116 | 141.5 Ų | 141.5 | 81% | 0.811 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | 68.2 | 173.9 | 174.2 | 0 | 0 | 0 | 0 | 113.9 | ||
| 128 | N | 50 | Low | 48.2 | Very low | 139 Ų | 139 | 141.7 Ų | 141.7 | 74% | 0.743 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137 | -17.5 | 168.3 | -103.7 | -3 | 0 | 0 | 0 | 116.6 | E126 | E126-N128 VanDerWaalsContact C-N 3.33Å; E126-N128 PolarHBondContact O-N 3.34Å |
| 129 | N | 46.7 | Very low | 48.5 | Very low | 136 Ų | 136 | 141.9 Ų | 141.9 | 73% | 0.727 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -93.8 | -12.9 | -178 | -78.4 | -15.1 | 0 | 0 | 0 | 115.3 | H131 | N129-H131 VanDerWaalsContact C-N 3.28Å; N129-H131 PolarHBondContact O-N 3.21Å |
| 130 | R | 47.8 | Very low | 49.3 | Very low | 218 Ų | 218 | 138 Ų | 138 | 82% | 0.823 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -69 | -27.2 | 176.7 | -72.1 | -177.5 | 170.7 | 173.9 | -3 | 112.6 | L132 T134 | R130-L132 PolarHBondContact O-N 2.86Å; R130-T134 PolarHBondContact O-N 2.91Å; R130-T134 PolarHBondContact O-OG1 2.94Å |
| 131 | H | 48.4 | Very low | 49.5 | Very low | 114 Ų | 114 | 130.7 Ų | 130.7 | 53% | 0.528 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -74.1 | -25.7 | -178.6 | -170.1 | -97.6 | 0 | 0 | 0 | 113.2 | N129 R135 | N129-H131 VanDerWaalsContact C-N 3.28Å; N129-H131 PolarHBondContact O-N 3.21Å; H131-R135 PolarHBondContact CE1-NH2 2.93Å; H131-R135 PolarHBondContact NE2-NH2 3.21Å; H131-R135 WeakPolarHBondContact O-CG 3.33Å |
| 132 | L | 53.9 | Low | 50.1 | Low | 125 Ų | 125 | 130.3 Ų | 130.3 | 65% | 0.654 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -81.1 | -39 | 179.5 | -147.9 | 82.2 | 0 | 0 | 0 | 112 | R130 R135 V136 | R130-L132 PolarHBondContact O-N 2.86Å; L132-R135 PolarHBondContact O-N 2.82Å; L132-V136 WeakPolarHBondContact O-CG2 3.47Å; L132-V136 PolarHBondContact O-N 3.02Å |
| 133 | V | 53.2 | Low | 50.5 | Low | 104 Ų | 104 | 126.6 Ų | 126.6 | 63% | 0.63 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -67.7 | -41.4 | 179.5 | 177.8 | 0 | 0 | 0 | 0 | 111.3 | R135 V136 Q137 | V133-R135 VanDerWaalsContact C-N 3.28Å; V133-R135 PolarHBondContact O-N 2.77Å; V133-V136 PolarHBondContact O-N 3.29Å; V133-Q137 WeakPolarHBondContact O-CB 3.38Å; V133-Q137 PolarHBondContact O-N 3.45Å |
| 134 | T | 54.1 | Low | 51.8 | Low | 81 Ų | 81 | 120.9 Ų | 120.9 | 50% | 0.497 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -62.3 | -36.5 | 174.4 | -42.2 | 0 | 0 | 0 | 0 | 111.7 | R130 E138 | R130-T134 PolarHBondContact O-N 2.91Å; R130-T134 PolarHBondContact O-OG1 2.94Å; T134-E138 VanDerWaalsContact O-CB 3.26Å; T134-E138 WeakPolarHBondContact O-CB 3.4Å; T134-E138 VanDerWaalsContact O-CG 3.31Å; T134-E138 WeakPolarHBondContact O-CG 3.07Å; T134-E138 PolarHBondContact O-N 3.32Å |
| 135 | R | 50.3 | Low | 52.2 | Low | 127 Ų | 127 | 116.1 Ų | 116.1 | 48% | 0.479 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -70.7 | -39.6 | 178.5 | -68.3 | -74.1 | 179 | 93.3 | -0.5 | 112.5 | H131 L132 V133 E138 L139 | H131-R135 PolarHBondContact CE1-NH2 2.93Å; H131-R135 PolarHBondContact NE2-NH2 3.21Å; H131-R135 WeakPolarHBondContact O-CG 3.33Å; L132-R135 PolarHBondContact O-N 2.82Å; V133-R135 VanDerWaalsContact C-N 3.28Å; V133-R135 PolarHBondContact O-N 2.77Å; R135-E138 PolarHBondContact O-N 2.84Å; R135-L139 WeakPolarHBondContact O-CD1 3.3Å; R135-L139 PolarHBondContact O-N 3.26Å |
| 136 | V | 54.5 | Low | 53.4 | Low | 97 Ų | 97 | 119.4 Ų | 119.4 | 59% | 0.588 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -71 | -39.2 | 177.6 | 179 | 0 | 0 | 0 | 0 | 111.3 | L132 V133 E138 L139 A140 | L132-V136 WeakPolarHBondContact O-CG2 3.47Å; L132-V136 PolarHBondContact O-N 3.02Å; V133-V136 PolarHBondContact O-N 3.29Å; V136-E138 VanDerWaalsContact C-N 3.35Å; V136-L139 PolarHBondContact O-N 3.28Å; V136-A140 PolarHBondContact O-N 2.94Å |
| 137 | Q | 48.5 | Very low | 54.6 | Low | 127 Ų | 127 | 117.8 Ų | 117.8 | 59% | 0.593 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -65 | -37.7 | 172.5 | -170.3 | 65.6 | 30.9 | 0 | 0 | 111.7 | V133 A140 S141 | V133-Q137 WeakPolarHBondContact O-CB 3.38Å; V133-Q137 PolarHBondContact O-N 3.45Å; Q137-A140 PolarHBondContact O-N 3.46Å; Q137-S141 WeakPolarHBondContact O-CB 3.25Å; Q137-S141 PolarHBondContact O-N 2.88Å |
| 138 | E | 52.4 | Low | 55.7 | Low | 110 Ų | 110 | 119.8 Ų | 119.8 | 51% | 0.514 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -66 | -38.1 | 171.4 | -85.1 | -172.8 | 147.6 | 0 | 0 | 112.2 | T134 R135 V136 A142 | T134-E138 VanDerWaalsContact O-CB 3.26Å; T134-E138 WeakPolarHBondContact O-CB 3.4Å; T134-E138 VanDerWaalsContact O-CG 3.31Å; T134-E138 WeakPolarHBondContact O-CG 3.07Å; T134-E138 PolarHBondContact O-N 3.32Å; R135-E138 PolarHBondContact O-N 2.84Å; V136-E138 VanDerWaalsContact C-N 3.35Å; E138-A142 WeakPolarHBondContact O-CA 3.43Å; E138-A142 WeakPolarHBondContact O-CB 3.24Å; E138-A142 PolarHBondContact O-N 2.88Å |
| 139 | L | 53.5 | Low | 57 | Low | 127 Ų | 127 | 115.6 Ų | 115.6 | 67% | 0.665 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -67.1 | -39.2 | 175.6 | -94.5 | 86.2 | 0 | 0 | 0 | 112.3 | R135 V136 K143 | R135-L139 WeakPolarHBondContact O-CD1 3.3Å; R135-L139 PolarHBondContact O-N 3.26Å; V136-L139 PolarHBondContact O-N 3.28Å; L139-K143 WeakPolarHBondContact O-CB 3.48Å; L139-K143 PolarHBondContact O-N 2.84Å; L139-K143 VanDerWaalsContact O-N 3.08Å |
| 140 | A | 57.1 | Low | 58.6 | Low | 59 Ų | 59 | 111.1 Ų | 111.1 | 49% | 0.488 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -70 | -44.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | V136 Q137 K143 E144 | V136-A140 PolarHBondContact O-N 2.94Å; Q137-A140 PolarHBondContact O-N 3.46Å; A140-K143 PolarHBondContact O-N 3.32Å; A140-E144 PolarHBondContact O-N 3.36Å |
| 141 | S | 52.8 | Low | 60.2 | Low | 63 Ų | 63 | 105 Ų | 105 | 44% | 0.441 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.1 | -43.6 | 175.1 | 178.5 | 0 | 0 | 0 | 0 | 111.9 | Q137 K143 E144 V145 | Q137-S141 WeakPolarHBondContact O-CB 3.25Å; Q137-S141 PolarHBondContact O-N 2.88Å; S141-K143 VanDerWaalsContact C-N 3.3Å; S141-K143 PolarHBondContact O-N 3.17Å; S141-E144 PolarHBondContact O-N 3.03Å; S141-V145 WeakPolarHBondContact O-CG2 3.28Å; S141-V145 PolarHBondContact O-N 3.37Å |
| 142 | A | 57 | Low | 61.6 | Low | 33 Ų | 33 | 104.8 Ų | 104.8 | 27% | 0.273 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.4 | -41.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | E138 E144 V145 W146 | E138-A142 WeakPolarHBondContact O-CA 3.43Å; E138-A142 WeakPolarHBondContact O-CB 3.24Å; E138-A142 PolarHBondContact O-N 2.88Å; A142-E144 VanDerWaalsContact C-N 3.27Å; A142-E144 PolarHBondContact O-N 2.91Å; A142-V145 CarbonylContact O-C 3.58Å; A142-V145 WeakPolarHBondContact O-CA 3.34Å; A142-V145 PolarHBondContact O-N 3.39Å; A142-W146 VanDerWaalsContact O-CG 3.27Å; A142-W146 PolarHBondContact O-N 3.44Å; A142-W146 PolarHBondContact O-NE1 3.42Å |
| 143 | K | 57.3 | Low | 62.7 | Low | 161 Ų | 161 | 101.2 Ų | 101.2 | 70% | 0.7 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -57.4 | -37.5 | 176.8 | -171.3 | 172.1 | 178.2 | 166.3 | 0 | 112.9 | L139 A140 S141 F147 | L139-K143 WeakPolarHBondContact O-CB 3.48Å; L139-K143 PolarHBondContact O-N 2.84Å; L139-K143 VanDerWaalsContact O-N 3.08Å; A140-K143 PolarHBondContact O-N 3.32Å; S141-K143 VanDerWaalsContact C-N 3.3Å; S141-K143 PolarHBondContact O-N 3.17Å; K143-F147 WeakPolarHBondContact O-CB 3.38Å; K143-F147 PolarHBondContact O-N 3.29Å |
| 144 | E | 63.4 | Low | 64.1 | Low | 110 Ų | 110 | 101 Ų | 101 | 51% | 0.514 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -67.7 | -38.6 | 174.3 | -163.1 | -176.5 | 157 | 0 | 0 | 112 | A140 S141 A142 F147 R148 | A140-E144 PolarHBondContact O-N 3.36Å; S141-E144 PolarHBondContact O-N 3.03Å; A142-E144 VanDerWaalsContact C-N 3.27Å; A142-E144 PolarHBondContact O-N 2.91Å; E144-F147 PolarHBondContact O-N 3.08Å; E144-R148 WeakPolarHBondContact O-CG 3.35Å; E144-R148 PolarHBondContact O-N 3.37Å; E144-R148 IonicContact OE1-CZ 3.61Å; E144-R148 IonicContact OE1-NE 2.76Å; E144-R148 IonicContact OE1-NH2 3.55Å; E144-R148 PolarHBondContact OE1-NH2 3.05Å |
| 145 | V | 61.3 | Low | 65.7 | Low | 91 Ų | 91 | 101.2 Ų | 101.2 | 55% | 0.552 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -70 | -42 | 176.7 | -179.5 | 0 | 0 | 0 | 0 | 112 | S141 A142 F147 R148 A149 | S141-V145 WeakPolarHBondContact O-CG2 3.28Å; S141-V145 PolarHBondContact O-N 3.37Å; A142-V145 CarbonylContact O-C 3.58Å; A142-V145 WeakPolarHBondContact O-CA 3.34Å; A142-V145 PolarHBondContact O-N 3.39Å; V145-F147 VanDerWaalsContact C-N 3.27Å; V145-F147 PolarHBondContact O-N 3.42Å; V145-R148 PolarHBondContact O-N 2.8Å; V145-A149 WeakPolarHBondContact O-CB 3.25Å; V145-A149 PolarHBondContact O-N 3.05Å |
| 146 | W | 70.6 | Confident | 67.5 | Low | 186 Ų | 186 | 100.1 Ų | 100.1 | 71% | 0.705 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -64.3 | -33.4 | 174.3 | -58.1 | 116 | 0 | 0 | 0 | 111.4 | A142 A150 | A142-W146 VanDerWaalsContact O-CG 3.27Å; A142-W146 PolarHBondContact O-N 3.44Å; A142-W146 PolarHBondContact O-NE1 3.42Å; W146-A150 WeakPolarHBondContact O-CB 3.42Å; W146-A150 PolarHBondContact O-N 2.82Å |
| 147 | F | 67.2 | Low | 69.2 | Low | 149 Ų | 149 | 97.8 Ų | 97.8 | 65% | 0.654 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -70.8 | -42.1 | 176.8 | -166.8 | -99.5 | 0 | 0 | 0 | 112 | K143 E144 V145 A150 V151 | K143-F147 WeakPolarHBondContact O-CB 3.38Å; K143-F147 PolarHBondContact O-N 3.29Å; E144-F147 PolarHBondContact O-N 3.08Å; V145-F147 VanDerWaalsContact C-N 3.27Å; V145-F147 PolarHBondContact O-N 3.42Å; F147-A150 PolarHBondContact O-N 3.19Å; F147-V151 HydrophobicContact CE1-CG2 4.3Å; F147-V151 WeakPolarHBondContact O-CB 3.34Å; F147-V151 PolarHBondContact O-N 3.26Å |
| 148 | R | 70.4 | Confident | 71.2 | Confident | 159 Ų | 159 | 93.5 Ų | 93.5 | 60% | 0.6 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.3 | -41.5 | 172.5 | -69.2 | -179.9 | -171.6 | -155.1 | 5.4 | 111.8 | E144 V145 I152 | E144-R148 WeakPolarHBondContact O-CG 3.35Å; E144-R148 PolarHBondContact O-N 3.37Å; E144-R148 IonicContact OE1-CZ 3.61Å; E144-R148 IonicContact OE1-NE 2.76Å; E144-R148 IonicContact OE1-NH2 3.55Å; E144-R148 PolarHBondContact OE1-NH2 3.05Å; V145-R148 PolarHBondContact O-N 2.8Å; R148-I152 WeakPolarHBondContact O-CG1 3.49Å; R148-I152 PolarHBondContact O-N 2.03Å |
| 149 | A | 75.8 | Confident | 72.9 | Confident | 50 Ų | 50 | 89.8 Ų | 89.8 | 41% | 0.413 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67 | -40.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | V145 I152 A153 | V145-A149 WeakPolarHBondContact O-CB 3.25Å; V145-A149 PolarHBondContact O-N 3.05Å; A149-I152 PolarHBondContact O-N 3.13Å; A149-A153 VanDerWaalsContact O-CB 3.23Å; A149-A153 WeakPolarHBondContact O-CB 3.36Å; A149-A153 PolarHBondContact O-N 2.98Å |
| 150 | A | 81.4 | Confident | 74.7 | Confident | 43 Ų | 43 | 89.2 Ų | 89.2 | 36% | 0.355 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.7 | -42.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | W146 F147 I152 A153 V154 | W146-A150 WeakPolarHBondContact O-CB 3.42Å; W146-A150 PolarHBondContact O-N 2.82Å; F147-A150 PolarHBondContact O-N 3.19Å; A150-I152 PolarHBondContact O-N 2.96Å; A150-A153 PolarHBondContact O-N 3.2Å; A150-V154 WeakPolarHBondContact O-CB 2.98Å; A150-V154 WeakPolarHBondContact O-CG2 3.09Å; A150-V154 PolarHBondContact O-N 3.39Å |
| 151 | V | 81.8 | Confident | 76.5 | Confident | 88 Ų | 88 | 91.2 Ų | 91.2 | 53% | 0.533 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.4 | -30.9 | 175.8 | 145.2 | 0 | 0 | 0 | 0 | 112.5 | F147 P155 | F147-V151 HydrophobicContact CE1-CG2 4.3Å; F147-V151 WeakPolarHBondContact O-CB 3.34Å; F147-V151 PolarHBondContact O-N 3.26Å; V151-P155 WeakPolarHBondContact O-CD 3.41Å; V151-P155 VanDerWaalsContact O-CG 3.23Å; V151-P155 WeakPolarHBondContact O-CG 3.39Å |
| 152 | I | 76 | Confident | 78.4 | Confident | 111 Ų | 111 | 93.3 Ų | 93.3 | 57% | 0.569 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -85.9 | -42.4 | 177.1 | -62 | 168.3 | 0 | 0 | 0 | 111.1 | R148 A149 A150 P155 I156 | R148-I152 WeakPolarHBondContact O-CG1 3.49Å; R148-I152 PolarHBondContact O-N 2.03Å; A149-I152 PolarHBondContact O-N 3.13Å; A150-I152 PolarHBondContact O-N 2.96Å; I152-P155 WeakPolarHBondContact O-CD 3.3Å; I152-I156 HydrophobicContact CG2-CD1 4.02Å; I152-I156 WeakPolarHBondContact O-CD1 3.38Å; I152-I156 WeakPolarHBondContact O-CG1 3.36Å |
| 153 | A | 78.8 | Confident | 79.9 | Confident | 50 Ų | 50 | 95.9 Ų | 95.9 | 41% | 0.413 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -71.4 | -33.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113 | A149 A150 I156 A157 | A149-A153 VanDerWaalsContact O-CB 3.23Å; A149-A153 WeakPolarHBondContact O-CB 3.36Å; A149-A153 PolarHBondContact O-N 2.98Å; A150-A153 PolarHBondContact O-N 3.2Å; A153-I156 PolarHBondContact O-N 3.25Å; A153-A157 WeakPolarHBondContact O-CB 3.03Å; A153-A157 PolarHBondContact O-N 3.44Å |
| 154 | V | 82.8 | Confident | 81.6 | Confident | 99 Ų | 99 | 93.6 Ų | 93.6 | 60% | 0.6 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65 | -46.6 | -177.3 | 167.5 | 0 | 0 | 0 | 0 | 112.2 | A150 I156 G158 | A150-V154 WeakPolarHBondContact O-CB 2.98Å; A150-V154 WeakPolarHBondContact O-CG2 3.09Å; A150-V154 PolarHBondContact O-N 3.39Å; V154-I156 VanDerWaalsContact C-N 3.34Å; V154-I156 PolarHBondContact O-N 2.97Å; V154-G158 WeakPolarHBondContact O-CA 3.14Å; V154-G158 PolarHBondContact O-N 3.31Å |
| 155 | P | 87.2 | Confident | 82.9 | Confident | 85 Ų | 85 | 93.3 Ų | 93.3 | 55% | 0.552 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61 | -39.2 | 172.2 | -26 | 34.5 | 0 | 0 | 0 | 113.3 | V151 I152 G159 | V151-P155 WeakPolarHBondContact O-CD 3.41Å; V151-P155 VanDerWaalsContact O-CG 3.23Å; V151-P155 WeakPolarHBondContact O-CG 3.39Å; I152-P155 WeakPolarHBondContact O-CD 3.3Å; P155-G159 PolarHBondContact O-N 3.16Å |
| 156 | I | 88.2 | Confident | 84.5 | Confident | 105 Ų | 105 | 93.1 Ų | 93.1 | 54% | 0.538 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.7 | -49.9 | 179.9 | -62.6 | 168.7 | 0 | 0 | 0 | 110.1 | I152 A153 V154 G159 L160 | I152-I156 HydrophobicContact CG2-CD1 4.02Å; I152-I156 WeakPolarHBondContact O-CD1 3.38Å; I152-I156 WeakPolarHBondContact O-CG1 3.36Å; A153-I156 PolarHBondContact O-N 3.25Å; V154-I156 VanDerWaalsContact C-N 3.34Å; V154-I156 PolarHBondContact O-N 2.97Å; I156-G159 PolarHBondContact O-N 3.21Å; I156-L160 HydrophobicContact CG2-CD1 4.46Å; I156-L160 WeakPolarHBondContact O-CG 3.38Å; I156-L160 PolarHBondContact O-N 2.02Å |
| 157 | A | 89.9 | Confident | 85.3 | Confident | 48 Ų | 48 | 88.8 Ų | 88.8 | 40% | 0.397 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.4 | -43.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | A153 G159 L160 I161 | A153-A157 WeakPolarHBondContact O-CB 3.03Å; A153-A157 PolarHBondContact O-N 3.44Å; A157-G159 VanDerWaalsContact C-N 3.34Å; A157-G159 PolarHBondContact O-N 2.87Å; A157-L160 PolarHBondContact O-N 2.77Å; A157-I161 VanDerWaalsContact O-CG1 3.27Å; A157-I161 WeakPolarHBondContact O-CG1 3.45Å; A157-I161 PolarHBondContact O-N 3.41Å |
| 158 | G | 90.8 | Very high | 86.3 | Confident | 37 Ų | 37 | 86.8 Ų | 86.8 | 38% | 0.381 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.7 | -42.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | V154 I161 L162 | V154-G158 WeakPolarHBondContact O-CA 3.14Å; V154-G158 PolarHBondContact O-N 3.31Å; G158-I161 PolarHBondContact O-N 2.81Å; G158-L162 VanDerWaalsContact O-CB 3.3Å; G158-L162 WeakPolarHBondContact O-CB 3.42Å; G158-L162 PolarHBondContact O-N 3.22Å |
| 159 | G | 87.9 | Confident | 87.3 | Confident | 32 Ų | 32 | 81.3 Ų | 81.3 | 33% | 0.33 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.7 | -45.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | P155 I156 A157 L162 V163 | P155-G159 PolarHBondContact O-N 3.16Å; I156-G159 PolarHBondContact O-N 3.21Å; A157-G159 VanDerWaalsContact C-N 3.34Å; A157-G159 PolarHBondContact O-N 2.87Å; G159-L162 PolarHBondContact O-N 3.48Å; G159-V163 VanDerWaalsContact O-CG2 3.31Å; G159-V163 WeakPolarHBondContact O-CG2 3.5Å; G159-V163 PolarHBondContact O-N 3.11Å |
| 160 | L | 90.3 | Very high | 87.6 | Confident | 114 Ų | 114 | 82.3 Ų | 82.3 | 60% | 0.597 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.6 | -44.5 | 177.2 | -70 | 175.3 | 0 | 0 | 0 | 112 | I156 A157 V163 L164 | I156-L160 HydrophobicContact CG2-CD1 4.46Å; I156-L160 WeakPolarHBondContact O-CG 3.38Å; I156-L160 PolarHBondContact O-N 2.02Å; A157-L160 PolarHBondContact O-N 2.77Å; L160-V163 PolarHBondContact O-N 3.25Å; L160-L164 WeakPolarHBondContact O-CG 2.99Å; L160-L164 PolarHBondContact O-N 3.27Å |
| 161 | I | 95.2 | Very high | 87.6 | Confident | 102 Ų | 102 | 88.8 Ų | 88.8 | 52% | 0.523 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.8 | -45.7 | 176.9 | -66.8 | 163.9 | 0 | 0 | 0 | 110.3 | A157 G158 V163 L164 L165 | A157-I161 VanDerWaalsContact O-CG1 3.27Å; A157-I161 WeakPolarHBondContact O-CG1 3.45Å; A157-I161 PolarHBondContact O-N 3.41Å; G158-I161 PolarHBondContact O-N 2.81Å; I161-V163 VanDerWaalsContact C-N 3.34Å; I161-V163 PolarHBondContact O-N 2.84Å; I161-L164 PolarHBondContact O-N 2.91Å; I161-L165 HydrophobicContact CG2-CD1 3.97Å; I161-L165 HydrophobicContact CG2-CG 4.26Å; I161-L165 WeakPolarHBondContact O-CG 3.28Å; I161-L165 PolarHBondContact O-N 3.24Å |
| 162 | L | 93.8 | Very high | 87.4 | Confident | 107 Ų | 107 | 90.1 Ų | 90.1 | 56% | 0.56 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -58.9 | -45 | 178.3 | -173.8 | 69.7 | 0 | 0 | 0 | 111.4 | G158 G159 L164 L165 I166 | G158-L162 VanDerWaalsContact O-CB 3.3Å; G158-L162 WeakPolarHBondContact O-CB 3.42Å; G158-L162 PolarHBondContact O-N 3.22Å; G159-L162 PolarHBondContact O-N 3.48Å; L162-L164 PolarHBondContact O-N 3.03Å; L162-L165 PolarHBondContact O-N 3.31Å; L162-I166 HydrophobicContact CG-CD1 4.05Å; L162-I166 VanDerWaalsContact O-CG1 3.26Å; L162-I166 WeakPolarHBondContact O-CG1 2.95Å; L162-I166 PolarHBondContact O-N 3.17Å |
| 163 | V | 88.5 | Confident | 87.4 | Confident | 86 Ų | 86 | 89.9 Ų | 89.9 | 52% | 0.521 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.6 | -43.5 | 176.2 | 170.7 | 0 | 0 | 0 | 0 | 111.3 | G159 L160 I161 I166 M167 | G159-V163 VanDerWaalsContact O-CG2 3.31Å; G159-V163 WeakPolarHBondContact O-CG2 3.5Å; G159-V163 PolarHBondContact O-N 3.11Å; L160-V163 PolarHBondContact O-N 3.25Å; I161-V163 VanDerWaalsContact C-N 3.34Å; I161-V163 PolarHBondContact O-N 2.84Å; V163-I166 PolarHBondContact O-N 2.87Å; V163-M167 HydrophobicContact CG1-CG 4.44Å; V163-M167 WeakPolarHBondContact O-CB 3.1Å; V163-M167 VanDerWaalsContact O-CG 3.32Å; V163-M167 WeakPolarHBondContact O-CG 3.28Å; V163-M167 PolarHBondContact O-N 2.71Å |
| 164 | L | 91.6 | Very high | 87.1 | Confident | 113 Ų | 113 | 96.5 Ų | 96.5 | 59% | 0.592 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.2 | -44.1 | 176.5 | -71.2 | 175.7 | 0 | 0 | 0 | 111.9 | L160 I161 L162 M167 L168 | L160-L164 WeakPolarHBondContact O-CG 2.99Å; L160-L164 PolarHBondContact O-N 3.27Å; I161-L164 PolarHBondContact O-N 2.91Å; L162-L164 PolarHBondContact O-N 3.03Å; L164-M167 PolarHBondContact O-N 2.89Å; L164-L168 WeakPolarHBondContact O-CB 3.41Å; L164-L168 WeakPolarHBondContact O-CG 3.18Å; L164-L168 PolarHBondContact O-N 2.76Å |
| 165 | L | 92.4 | Very high | 86.5 | Confident | 104 Ų | 104 | 95.1 Ų | 95.1 | 55% | 0.545 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.7 | -42.3 | 176.9 | -68.9 | 176.1 | 0 | 0 | 0 | 111.8 | I161 L162 L168 A169 | I161-L165 HydrophobicContact CG2-CD1 3.97Å; I161-L165 HydrophobicContact CG2-CG 4.26Å; I161-L165 WeakPolarHBondContact O-CG 3.28Å; I161-L165 PolarHBondContact O-N 3.24Å; L162-L165 PolarHBondContact O-N 3.31Å; L165-L168 PolarHBondContact O-N 3.12Å; L165-A169 WeakPolarHBondContact O-CB 3.5Å; L165-A169 PolarHBondContact O-N 3.18Å |
| 166 | I | 94.3 | Very high | 85.7 | Confident | 87 Ų | 87 | 95.6 Ų | 95.6 | 45% | 0.446 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62 | -45.3 | 174.5 | -68.9 | 165.8 | 0 | 0 | 0 | 110.4 | L162 V163 L168 A169 L170 | L162-I166 HydrophobicContact CG-CD1 4.05Å; L162-I166 VanDerWaalsContact O-CG1 3.26Å; L162-I166 WeakPolarHBondContact O-CG1 2.95Å; L162-I166 PolarHBondContact O-N 3.17Å; V163-I166 PolarHBondContact O-N 2.87Å; I166-L168 VanDerWaalsContact C-N 3.33Å; I166-L168 PolarHBondContact O-N 3.31Å; I166-A169 PolarHBondContact O-N 3.02Å; I166-L170 HydrophobicContact CG2-CD1 3.9Å; I166-L170 HydrophobicContact CG2-CG 4.27Å; I166-L170 WeakPolarHBondContact O-CB 3.44Å; I166-L170 VanDerWaalsContact O-CG 3.28Å; I166-L170 WeakPolarHBondContact O-CG 3.42Å; I166-L170 PolarHBondContact O-N 2.98Å |
| 167 | M | 86.4 | Confident | 84.7 | Confident | 96 Ų | 96 | 95 Ų | 95 | 47% | 0.473 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.1 | -38.4 | 178.1 | -76.2 | -63.1 | -65.6 | 0 | 0 | 112.4 | V163 L164 R171 | V163-M167 HydrophobicContact CG1-CG 4.44Å; V163-M167 WeakPolarHBondContact O-CB 3.1Å; V163-M167 VanDerWaalsContact O-CG 3.32Å; V163-M167 WeakPolarHBondContact O-CG 3.28Å; V163-M167 PolarHBondContact O-N 2.71Å; L164-M167 PolarHBondContact O-N 2.89Å; M167-R171 WeakPolarHBondContact O-CB 3.47Å; M167-R171 WeakPolarHBondContact O-CG 3.38Å; M167-R171 PolarHBondContact O-N 3.39Å |
| 168 | L | 88.7 | Confident | 83.8 | Confident | 107 Ų | 107 | 99 Ų | 99 | 56% | 0.56 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.7 | -46.8 | 173.8 | -74 | 173.9 | 0 | 0 | 0 | 111.3 | L164 L165 I166 L170 R171 M172 | L164-L168 WeakPolarHBondContact O-CB 3.41Å; L164-L168 WeakPolarHBondContact O-CG 3.18Å; L164-L168 PolarHBondContact O-N 2.76Å; L165-L168 PolarHBondContact O-N 3.12Å; I166-L168 VanDerWaalsContact C-N 3.33Å; I166-L168 PolarHBondContact O-N 3.31Å; L168-L170 VanDerWaalsContact C-N 3.34Å; L168-L170 PolarHBondContact O-N 3.25Å; L168-R171 PolarHBondContact O-N 3.37Å; L168-M172 WeakPolarHBondContact O-CB 3.46Å; L168-M172 PolarHBondContact O-N 2.89Å |
| 169 | A | 91.1 | Very high | 82.6 | Confident | 43 Ų | 43 | 105.7 Ų | 105.7 | 36% | 0.355 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.4 | -43.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L165 I166 M172 L173 | L165-A169 WeakPolarHBondContact O-CB 3.5Å; L165-A169 PolarHBondContact O-N 3.18Å; I166-A169 PolarHBondContact O-N 3.02Å; A169-M172 PolarHBondContact O-N 2.98Å; A169-L173 WeakPolarHBondContact O-CB 3.49Å; A169-L173 VanDerWaalsContact O-CG 3.27Å; A169-L173 WeakPolarHBondContact O-CG 3.1Å; A169-L173 PolarHBondContact O-N 3.49Å |
| 170 | L | 83.6 | Confident | 81.6 | Confident | 72 Ų | 72 | 108.9 Ų | 108.9 | 38% | 0.377 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.9 | -37.2 | 175.5 | -71.5 | 176.1 | 0 | 0 | 0 | 112.5 | I166 L168 M172 R174 | I166-L170 HydrophobicContact CG2-CD1 3.9Å; I166-L170 HydrophobicContact CG2-CG 4.27Å; I166-L170 WeakPolarHBondContact O-CB 3.44Å; I166-L170 VanDerWaalsContact O-CG 3.28Å; I166-L170 WeakPolarHBondContact O-CG 3.42Å; I166-L170 PolarHBondContact O-N 2.98Å; L168-L170 VanDerWaalsContact C-N 3.34Å; L168-L170 PolarHBondContact O-N 3.25Å; L170-M172 VanDerWaalsContact C-N 3.34Å; L170-R174 VanDerWaalsContact O-CB 3.23Å; L170-R174 WeakPolarHBondContact O-CB 3.15Å; L170-R174 VanDerWaalsContact O-CG 3.26Å; L170-R174 WeakPolarHBondContact O-CG 2.98Å; L170-R174 PolarHBondContact O-N 2.89Å |
| 171 | R | 81.4 | Confident | 80.6 | Confident | 179 Ų | 179 | 109 Ų | 109 | 68% | 0.675 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.2 | -39.3 | 173 | -88 | -173.8 | 166.6 | 157.9 | -1.7 | 111.6 | M167 L168 S175 | M167-R171 WeakPolarHBondContact O-CB 3.47Å; M167-R171 WeakPolarHBondContact O-CG 3.38Å; M167-R171 PolarHBondContact O-N 3.39Å; L168-R171 PolarHBondContact O-N 3.37Å; R171-S175 VanDerWaalsContact O-CB 3.22Å; R171-S175 WeakPolarHBondContact O-CB 3.3Å; R171-S175 PolarHBondContact O-N 2.85Å; R171-S175 PolarHBondContact O-OG 3.06Å; R171-S175 VanDerWaalsContact O-OG 3.11Å |
| 172 | M | 77.1 | Confident | 79.5 | Confident | 116 Ų | 116 | 107.6 Ų | 107.6 | 57% | 0.571 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -67 | -47.4 | 176.3 | -163.8 | 176.5 | 79.6 | 0 | 0 | 110.7 | L168 A169 L170 R174 S175 E176 | L168-M172 WeakPolarHBondContact O-CB 3.46Å; L168-M172 PolarHBondContact O-N 2.89Å; A169-M172 PolarHBondContact O-N 2.98Å; L170-M172 VanDerWaalsContact C-N 3.34Å; M172-R174 PolarHBondContact O-N 2.77Å; M172-S175 PolarHBondContact O-N 3.42Å; M172-S175 PolarHBondContact O-OG 3.15Å; M172-E176 WeakPolarHBondContact O-CB 3.43Å; M172-E176 WeakPolarHBondContact O-CG 3.41Å; M172-E176 PolarHBondContact O-N 3Å |
| 173 | L | 76.8 | Confident | 78.1 | Confident | 106 Ų | 106 | 107.7 Ų | 107.7 | 56% | 0.555 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.5 | -41 | 175.4 | -71.3 | 169.6 | 0 | 0 | 0 | 111.8 | A169 N177 | A169-L173 WeakPolarHBondContact O-CB 3.49Å; A169-L173 VanDerWaalsContact O-CG 3.27Å; A169-L173 WeakPolarHBondContact O-CG 3.1Å; A169-L173 PolarHBondContact O-N 3.49Å; L173-N177 VanDerWaalsContact O-CB 3.23Å; L173-N177 WeakPolarHBondContact O-CB 3.26Å; L173-N177 PolarHBondContact O-N 3.21Å |
| 174 | R | 72.1 | Confident | 77 | Confident | 189 Ų | 189 | 112.6 Ų | 112.6 | 71% | 0.713 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -71.7 | -36.4 | 176.8 | -76.2 | -177.6 | -172.8 | 176.6 | 4.4 | 112.9 | L170 M172 K178 | L170-R174 VanDerWaalsContact O-CB 3.23Å; L170-R174 WeakPolarHBondContact O-CB 3.15Å; L170-R174 VanDerWaalsContact O-CG 3.26Å; L170-R174 WeakPolarHBondContact O-CG 2.98Å; L170-R174 PolarHBondContact O-N 2.89Å; M172-R174 PolarHBondContact O-N 2.77Å; R174-K178 WeakPolarHBondContact O-CB 3.33Å; R174-K178 PolarHBondContact O-N 3.45Å |
| 175 | S | 70.1 | Confident | 75.9 | Confident | 69 Ų | 69 | 113.3 Ų | 113.3 | 48% | 0.483 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -68.6 | -39 | 178.7 | 65.5 | 0 | 0 | 0 | 0 | 110.9 | R171 M172 R179 | R171-S175 VanDerWaalsContact O-CB 3.22Å; R171-S175 WeakPolarHBondContact O-CB 3.3Å; R171-S175 PolarHBondContact O-N 2.85Å; R171-S175 PolarHBondContact O-OG 3.06Å; R171-S175 VanDerWaalsContact O-OG 3.11Å; M172-S175 PolarHBondContact O-N 3.42Å; M172-S175 PolarHBondContact O-OG 3.15Å; S175-R179 WeakPolarHBondContact O-CB 3.06Å; S175-R179 PolarHBondContact O-N 3.27Å |
| 176 | E | 69.8 | Low | 74.6 | Confident | 95 Ų | 95 | 114.1 Ų | 114.1 | 44% | 0.444 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -70.4 | -44 | 174.9 | -66.9 | -157.6 | 140.9 | 0 | 0 | 112 | M172 K178 R179 L180 | M172-E176 WeakPolarHBondContact O-CB 3.43Å; M172-E176 WeakPolarHBondContact O-CG 3.41Å; M172-E176 PolarHBondContact O-N 3Å; E176-K178 VanDerWaalsContact C-N 3.31Å; E176-K178 PolarHBondContact O-N 3.49Å; E176-R179 PolarHBondContact O-N 3.37Å; E176-L180 WeakPolarHBondContact O-CB 3.42Å; E176-L180 WeakPolarHBondContact O-CD1 3.37Å; E176-L180 PolarHBondContact O-N 2.77Å |
| 177 | N | 67.1 | Low | 73.2 | Confident | 93 Ų | 93 | 116.1 Ų | 116.1 | 50% | 0.497 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.7 | -36.3 | 176.5 | -140.1 | -41.2 | 0 | 0 | 0 | 111.7 | L173 L180 Q181 | L173-N177 VanDerWaalsContact O-CB 3.23Å; L173-N177 WeakPolarHBondContact O-CB 3.26Å; L173-N177 PolarHBondContact O-N 3.21Å; N177-L180 PolarHBondContact O-N 3.08Å; N177-Q181 WeakPolarHBondContact O-CB 3.47Å; N177-Q181 VanDerWaalsContact O-CG 3.27Å; N177-Q181 WeakPolarHBondContact O-CG 3.4Å; N177-Q181 PolarHBondContact O-N 3.02Å |
| 178 | K | 71.9 | Confident | 72.3 | Confident | 133 Ų | 133 | 117 Ų | 117 | 58% | 0.578 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -64.5 | -43.4 | 173.4 | -170.8 | 172.3 | -179.1 | 178.8 | 0 | 111.3 | R174 E176 L180 Q181 D182 | R174-K178 WeakPolarHBondContact O-CB 3.33Å; R174-K178 PolarHBondContact O-N 3.45Å; E176-K178 VanDerWaalsContact C-N 3.31Å; E176-K178 PolarHBondContact O-N 3.49Å; K178-L180 VanDerWaalsContact C-N 3.34Å; K178-L180 PolarHBondContact O-N 2.78Å; K178-Q181 PolarHBondContact O-N 2.84Å; K178-D182 WeakPolarHBondContact O-CB 3.24Å; K178-D182 VanDerWaalsContact O-CG 3.26Å; K178-D182 PolarHBondContact O-N 3.17Å |
| 179 | R | 65.1 | Low | 71.2 | Confident | 176 Ų | 176 | 115 Ų | 115 | 66% | 0.664 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62.1 | -40.6 | 175.1 | -165.3 | 172.2 | 70.4 | 163.5 | -0.5 | 112.1 | S175 E176 Q183 | S175-R179 WeakPolarHBondContact O-CB 3.06Å; S175-R179 PolarHBondContact O-N 3.27Å; E176-R179 PolarHBondContact O-N 3.37Å; R179-Q183 WeakPolarHBondContact O-CB 3.09Å; R179-Q183 PolarHBondContact O-N 3.09Å |
| 180 | L | 65.9 | Low | 69.7 | Low | 100 Ų | 100 | 122.5 Ų | 122.5 | 52% | 0.524 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -66.7 | -39.3 | 174 | -82.4 | 148.9 | 0 | 0 | 0 | 112.5 | E176 N177 K178 R184 | E176-L180 WeakPolarHBondContact O-CB 3.42Å; E176-L180 WeakPolarHBondContact O-CD1 3.37Å; E176-L180 PolarHBondContact O-N 2.77Å; N177-L180 PolarHBondContact O-N 3.08Å; K178-L180 VanDerWaalsContact C-N 3.34Å; K178-L180 PolarHBondContact O-N 2.78Å; L180-R184 WeakPolarHBondContact O-CB 3.36Å; L180-R184 WeakPolarHBondContact O-CG 3.31Å; L180-R184 PolarHBondContact O-N 2.83Å |
| 181 | Q | 69.9 | Low | 68.7 | Low | 117 Ų | 117 | 125.1 Ų | 125.1 | 55% | 0.547 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -67.2 | -44.5 | 175.9 | -79.7 | -176.9 | -24.4 | 0 | 0 | 111.8 | N177 K178 Q183 R184 Q185 | N177-Q181 WeakPolarHBondContact O-CB 3.47Å; N177-Q181 VanDerWaalsContact O-CG 3.27Å; N177-Q181 WeakPolarHBondContact O-CG 3.4Å; N177-Q181 PolarHBondContact O-N 3.02Å; K178-Q181 PolarHBondContact O-N 2.84Å; Q181-Q183 VanDerWaalsContact C-N 3.33Å; Q181-Q183 PolarHBondContact O-N 3.31Å; Q181-R184 PolarHBondContact O-N 2.02Å; Q181-Q185 WeakPolarHBondContact O-CB 3.01Å; Q181-Q185 WeakPolarHBondContact O-CG 2.99Å; Q181-Q185 PolarHBondContact O-N 3.1Å |
| 182 | D | 72 | Confident | 67.5 | Low | 72 Ų | 72 | 123 Ų | 123 | 39% | 0.385 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -61.7 | -42.8 | 175.9 | -69.5 | -22.2 | 0 | 0 | 0 | 110.4 | K178 R184 Q185 Q186 | K178-D182 WeakPolarHBondContact O-CB 3.24Å; K178-D182 VanDerWaalsContact O-CG 3.26Å; K178-D182 PolarHBondContact O-N 3.17Å; D182-R184 PolarHBondContact O-N 2.78Å; D182-Q185 PolarHBondContact O-N 3.24Å; D182-Q186 WeakPolarHBondContact O-CB 3.07Å; D182-Q186 VanDerWaalsContact O-CG 3.3Å; D182-Q186 WeakPolarHBondContact O-CG 3.06Å; D182-Q186 PolarHBondContact O-N 2.9Å |
| 183 | Q | 65.3 | Low | 66.5 | Low | 109 Ų | 109 | 127.2 Ų | 127.2 | 51% | 0.509 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -63.9 | -40.4 | 174.9 | -167.9 | -180 | -6.4 | 0 | 0 | 112.2 | R179 Q181 Q186 M187 | R179-Q183 WeakPolarHBondContact O-CB 3.09Å; R179-Q183 PolarHBondContact O-N 3.09Å; Q181-Q183 VanDerWaalsContact C-N 3.33Å; Q181-Q183 PolarHBondContact O-N 3.31Å; Q183-Q186 PolarHBondContact O-N 3.27Å; Q183-M187 VanDerWaalsContact O-CG 3.24Å; Q183-M187 WeakPolarHBondContact O-CG 3.23Å; Q183-M187 PolarHBondContact O-N 3.33Å |
| 184 | R | 64.9 | Low | 65.6 | Low | 189 Ų | 189 | 126.2 Ų | 126.2 | 71% | 0.713 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -68.2 | -37.4 | 174.9 | -79 | -149.2 | 176.5 | -177.6 | 0.8 | 112.8 | L180 Q181 D182 Q186 M187 L188 | L180-R184 WeakPolarHBondContact O-CB 3.36Å; L180-R184 WeakPolarHBondContact O-CG 3.31Å; L180-R184 PolarHBondContact O-N 2.83Å; Q181-R184 PolarHBondContact O-N 2.02Å; D182-R184 PolarHBondContact O-N 2.78Å; R184-Q186 VanDerWaalsContact C-N 3.35Å; R184-M187 PolarHBondContact O-N 2.88Å; R184-L188 WeakPolarHBondContact O-CB 3.32Å; R184-L188 WeakPolarHBondContact O-CG 3.37Å; R184-L188 PolarHBondContact O-N 3.35Å |
| 185 | Q | 68.3 | Low | 64.7 | Low | 128 Ų | 128 | 124.4 Ų | 124.4 | 60% | 0.598 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -66.3 | -37.7 | 174.3 | -76.4 | -174.8 | -16.3 | 0 | 0 | 111.5 | Q181 D182 L188 S189 | Q181-Q185 WeakPolarHBondContact O-CB 3.01Å; Q181-Q185 WeakPolarHBondContact O-CG 2.99Å; Q181-Q185 PolarHBondContact O-N 3.1Å; D182-Q185 PolarHBondContact O-N 3.24Å; Q185-L188 PolarHBondContact O-N 3.49Å; Q185-S189 VanDerWaalsContact O-CB 3.27Å; Q185-S189 WeakPolarHBondContact O-CB 3.48Å; Q185-S189 PolarHBondContact O-N 2.83Å; Q185-S189 PolarHBondContact O-OG 3.35Å |
| 186 | Q | 65.9 | Low | 63.9 | Low | 121 Ų | 121 | 127.7 Ų | 127.7 | 57% | 0.565 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -67 | -38.4 | 173.6 | -72.4 | 176 | 0.3 | 0 | 0 | 112.4 | D182 Q183 R184 S189 R190 | D182-Q186 WeakPolarHBondContact O-CB 3.07Å; D182-Q186 VanDerWaalsContact O-CG 3.3Å; D182-Q186 WeakPolarHBondContact O-CG 3.06Å; D182-Q186 PolarHBondContact O-N 2.9Å; Q183-Q186 PolarHBondContact O-N 3.27Å; R184-Q186 VanDerWaalsContact C-N 3.35Å; Q186-S189 VanDerWaalsContact CA-OG 3.32Å; Q186-S189 WeakPolarHBondContact CA-OG 3.44Å; Q186-S189 PolarHBondContact O-OG 3.42Å; Q186-S189 VanDerWaalsContact O-OG 3.07Å; Q186-R190 WeakPolarHBondContact O-CB 3.32Å; Q186-R190 WeakPolarHBondContact O-CG 3.29Å; Q186-R190 PolarHBondContact O-N 2.65Å; Q186-R190 VanDerWaalsContact O-N 3.12Å |
| 187 | M | 64 | Low | 62.8 | Low | 129 Ų | 129 | 125.8 Ų | 125.8 | 64% | 0.635 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -67 | -42.9 | 173.7 | -70 | -112.3 | -100.1 | 0 | 0 | 112.1 | Q183 R184 R190 L191 | Q183-M187 VanDerWaalsContact O-CG 3.24Å; Q183-M187 WeakPolarHBondContact O-CG 3.23Å; Q183-M187 PolarHBondContact O-N 3.33Å; R184-M187 PolarHBondContact O-N 2.88Å; M187-R190 PolarHBondContact O-N 3.24Å; M187-L191 PolarHBondContact O-N 3.37Å; M187-L191 VanDerWaalsContact O-N 3.11Å |
| 188 | L | 68.1 | Low | 61.9 | Low | 114 Ų | 114 | 129.4 Ų | 129.4 | 60% | 0.597 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -69.2 | -40.4 | 178.2 | -76.9 | 168.2 | 0 | 0 | 0 | 112.7 | R184 Q185 R190 L191 H192 | R184-L188 WeakPolarHBondContact O-CB 3.32Å; R184-L188 WeakPolarHBondContact O-CG 3.37Å; R184-L188 PolarHBondContact O-N 3.35Å; Q185-L188 PolarHBondContact O-N 3.49Å; L188-R190 VanDerWaalsContact C-N 3.34Å; L188-R190 PolarHBondContact O-N 2.02Å; L188-L191 WeakPolarHBondContact O-CB 3.15Å; L188-L191 PolarHBondContact O-N 3Å; L188-H192 PolarHBondContact O-N 2.57Å |
| 189 | S | 64.8 | Low | 60.7 | Low | 66 Ų | 66 | 130.2 Ų | 130.2 | 46% | 0.462 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -66.3 | -35.1 | 176.1 | 51.7 | 0 | 0 | 0 | 0 | 112.2 | Q185 Q186 H192 Y193 | Q185-S189 VanDerWaalsContact O-CB 3.27Å; Q185-S189 WeakPolarHBondContact O-CB 3.48Å; Q185-S189 PolarHBondContact O-N 2.83Å; Q185-S189 PolarHBondContact O-OG 3.35Å; Q186-S189 VanDerWaalsContact CA-OG 3.32Å; Q186-S189 WeakPolarHBondContact CA-OG 3.44Å; Q186-S189 PolarHBondContact O-OG 3.42Å; Q186-S189 VanDerWaalsContact O-OG 3.07Å; S189-H192 PolarHBondContact O-N 3Å; S189-Y193 PolarHBondContact O-N 3.36Å; S189-Y193 VanDerWaalsContact O-N 3.07Å |
| 190 | R | 60 | Low | 59.9 | Low | 199 Ų | 199 | 127.1 Ų | 127.1 | 75% | 0.751 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -63.7 | -39 | 169.7 | -83 | -174.7 | 148.7 | 129.1 | -1.8 | 112.9 | Q186 M187 L188 S194 | Q186-R190 WeakPolarHBondContact O-CB 3.32Å; Q186-R190 WeakPolarHBondContact O-CG 3.29Å; Q186-R190 PolarHBondContact O-N 2.65Å; Q186-R190 VanDerWaalsContact O-N 3.12Å; M187-R190 PolarHBondContact O-N 3.24Å; L188-R190 VanDerWaalsContact C-N 3.34Å; L188-R190 PolarHBondContact O-N 2.02Å; R190-S194 PolarHBondContact O-N 3.09Å; R190-S194 VanDerWaalsContact O-N 3.14Å |
| 191 | L | 61.6 | Low | 58.5 | Low | 128 Ų | 128 | 132 Ų | 132 | 67% | 0.67 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -67.2 | -40.8 | 176.4 | -140.9 | 96.5 | 0 | 0 | 0 | 111.8 | M187 L188 S194 F195 | M187-L191 PolarHBondContact O-N 3.37Å; M187-L191 VanDerWaalsContact O-N 3.11Å; L188-L191 WeakPolarHBondContact O-CB 3.15Å; L188-L191 PolarHBondContact O-N 3Å; L191-S194 PolarHBondContact O-N 3.16Å; L191-F195 PolarHBondContact O-N 2.81Å; L191-F195 VanDerWaalsContact O-N 3.08Å |
| 192 | H | 56.3 | Low | 57.4 | Low | 135 Ų | 135 | 136.8 Ų | 136.8 | 63% | 0.625 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -68.4 | -34.6 | -179.7 | -132.3 | -85.8 | 0 | 0 | 0 | 112.6 | L188 S189 H196 | L188-H192 PolarHBondContact O-N 2.57Å; S189-H192 PolarHBondContact O-N 3Å; H192-H196 PolarHBondContact O-N 3.26Å |
| 193 | Y | 57.1 | Low | 55.9 | Low | 204 Ų | 204 | 136.4 Ų | 136.4 | 80% | 0.8 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -70.6 | -36.2 | 173.2 | -124.5 | -87.7 | 0 | 0 | 0 | 112.3 | S189 F195 G197 | S189-Y193 PolarHBondContact O-N 3.36Å; S189-Y193 VanDerWaalsContact O-N 3.07Å; Y193-F195 VanDerWaalsContact C-N 3.32Å; Y193-F195 PolarHBondContact O-N 2.85Å; Y193-G197 PolarHBondContact O-N 2.95Å |
| 194 | S | 57.3 | Low | 54.3 | Low | 84 Ų | 84 | 140 Ų | 140 | 59% | 0.587 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -67.6 | -31.1 | 176.6 | -165.7 | 0 | 0 | 0 | 0 | 112.7 | R190 L191 | R190-S194 PolarHBondContact O-N 3.09Å; R190-S194 VanDerWaalsContact O-N 3.14Å; L191-S194 PolarHBondContact O-N 3.16Å |
| 195 | F | 54.1 | Low | 53 | Low | 151 Ų | 151 | 139.5 Ų | 139.5 | 66% | 0.662 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -78.8 | -34.4 | 179.6 | -164.7 | -102.5 | 0 | 0 | 0 | 112.7 | L191 Y193 | L191-F195 PolarHBondContact O-N 2.81Å; L191-F195 VanDerWaalsContact O-N 3.08Å; Y193-F195 VanDerWaalsContact C-N 3.32Å; Y193-F195 PolarHBondContact O-N 2.85Å |
| 196 | H | 52.6 | Low | 51.3 | Low | 139 Ų | 139 | 138 Ų | 138 | 64% | 0.644 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -80.5 | -13.2 | 179.7 | -115.1 | -69.1 | 0 | 0 | 0 | 114.7 | H192 | H192-H196 PolarHBondContact O-N 3.26Å |
| 197 | G | 46.6 | Very low | 50 | Low | 55 Ų | 55 | 140.3 Ų | 140.3 | 57% | 0.567 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | -11.1 | 177 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y193 | Y193-G197 PolarHBondContact O-N 2.95Š|
| 198 | H | 47.8 | Very low | 48.9 | Very low | 168 Ų | 168 | 142.3 Ų | 142.3 | 78% | 0.778 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -100.6 | -3 | -172 | -99.9 | -84.5 | 0 | 0 | 0 | 115.8 | ||
| 199 | H | 46.8 | Very low | 47.1 | Very low | 151 Ų | 151 | 142 Ų | 142 | 70% | 0.699 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -101.5 | 2.8 | -178 | -83.4 | -79.3 | 0 | 0 | 0 | 115.5 | ||
| 200 | T | 48.2 | Very low | 46.1 | Very low | 110 Ų | 110 | 147.3 Ų | 147.3 | 68% | 0.675 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -131.7 | 58.6 | -178.7 | 59.1 | 0 | 0 | 0 | 0 | 113.3 | ||
| 201 | K | 37.8 | Very low | 44.9 | Very low | 202 Ų | 202 | 145.4 Ų | 145.4 | 88% | 0.878 | 74% | 0.743 | S | S | * | * | trans | -167.2 | 115.3 | 149.4 | -103.1 | 145.4 | -170.7 | -176 | 0 | 112.1 | G203 | K201-G203 PolarHBondContact O-N 3.36Š| ||
| 202 | K | 45.4 | Very low | 43.7 | Very low | 218 Ų | 218 | 144.4 Ų | 144.4 | 95% | 0.948 | 75% | 0.746 | S | S | * | * | trans | -49.8 | 129.3 | 153.7 | -107.6 | 174.1 | 172 | 174.4 | 0 | 108.8 | ||||
| 203 | G | 41.1 | Very low | 42.7 | Very low | 64 Ų | 64 | 147.1 Ų | 147.1 | 66% | 0.66 | 76% | 0.761 | S | S | * | * | trans | 132 | 112.7 | 154.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | K201 | K201-G203 PolarHBondContact O-N 3.36Š| ||
| 204 | H | 32.2 | Very low | 41.6 | Very low | 184 Ų | 184 | 142.5 Ų | 142.5 | 85% | 0.852 | 75% | 0.754 | S | S | * | * | trans | 63.6 | 107.7 | 149.7 | -76.5 | 87 | 0 | 0 | 0 | 120.4 | ||||
| 205 | M | 36.8 | Very low | 41.1 | Very low | 180 Ų | 180 | 144.4 Ų | 144.4 | 89% | 0.887 | 76% | 0.764 | S | S | * | * | trans | 29.9 | 109.5 | 131.4 | -58.7 | -167.7 | 119 | 0 | 0 | 118.5 | ||||
| 206 | A | 33.7 | Very low | 40 | Very low | 97 Ų | 97 | 143 Ų | 143 | 80% | 0.802 | 77% | 0.767 | S | S | * | * | -156 | 114.2 | 122.5 | 0 | 0 | 0 | 0 | 0 | 109 | L208 | A206-L208 PolarHBondContact O-N 3.03Š| |||
| 207 | K | 38.2 | Very low | 39.1 | Very low | 169 Ų | 169 | 142.5 Ų | 142.5 | 74% | 0.735 | 77% | 0.774 | S | S | * | * | trans | -52.7 | 118 | 166.5 | 176.6 | 178.8 | 178.1 | 170.5 | 0 | 109.4 | D209 | K207-D209 WeakPolarHBondContact CE-OD2 3.4Å; K207-D209 IonicContact NZ-OD2 3.56Å | ||
| 208 | L | 39.9 | Very low | 38.5 | Very low | 170 Ų | 170 | 143.4 Ų | 143.4 | 89% | 0.89 | 78% | 0.784 | S | S | * | * | trans | -126.9 | 104.6 | 156.4 | -132.5 | 82.8 | 0 | 0 | 0 | 106.8 | A206 L210 | A206-L208 PolarHBondContact O-N 3.03Å; L208-L210 PolarHBondContact O-N 3.31Å | ||
| 209 | D | 32.1 | Very low | 37.7 | Very low | 109 Ų | 109 | 143.1 Ų | 143.1 | 58% | 0.583 | 78% | 0.783 | S | S | * | * | trans | -57 | 122.9 | -177.5 | -88 | -37.8 | 0 | 0 | 0 | 110.5 | K207 E211 | K207-D209 WeakPolarHBondContact CE-OD2 3.4Å; K207-D209 IonicContact NZ-OD2 3.56Å; D209-E211 VanDerWaalsContact C-N 3.28Å; D209-E211 PolarHBondContact O-N 3.09Å; D209-E211 VanDerWaalsContact O-N 3.16Å | ||
| 210 | L | 42.4 | Very low | 37.8 | Very low | 176 Ų | 176 | 141.9 Ų | 141.9 | 92% | 0.921 | 78% | 0.777 | S | S | * | * | trans | -74.3 | 83.5 | 160 | 178.2 | 72.2 | 0 | 0 | 0 | 106.8 | L208 | L208-L210 PolarHBondContact O-N 3.31Š| ||
| 211 | E | 36 | Very low | 37.8 | Very low | 160 Ų | 160 | 144 Ų | 144 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | trans | -138.8 | 137 | 173.8 | -141.2 | 155.2 | 129.2 | 0 | 0 | 112.9 | D209 | D209-E211 VanDerWaalsContact C-N 3.28Å; D209-E211 PolarHBondContact O-N 3.09Å; D209-E211 VanDerWaalsContact O-N 3.16Å | ||
| 212 | C | 35.4 | Very low | 37.7 | Very low | 106 Ų | 106 | 140.3 Ų | 140.3 | 72% | 0.716 | 78% | 0.783 | S | S | * | * | trans | 79.7 | 76.5 | 169.4 | -74.1 | 0 | 0 | 0 | 0 | 119.2 | V214 | C212-V214 PolarHBondContact O-N 2.76Š| ||
| 213 | M | 35.7 | Very low | 37.3 | Very low | 193 Ų | 193 | 133.8 Ų | 133.8 | 95% | 0.951 | 76% | 0.764 | S | S | * | * | -62.9 | 102.3 | 128.6 | -75.9 | 169.8 | 66.1 | 0 | 0 | 109.5 | |||||
| 214 | V | 33 | Very low | 37.5 | Very low | 107 Ų | 107 | 139.3 Ų | 139.3 | 65% | 0.648 | 78% | 0.777 | S | S | * | * | trans | -154.4 | 138.2 | 154 | -177 | 0 | 0 | 0 | 0 | 109.2 | C212 V216 | C212-V214 PolarHBondContact O-N 2.76Å; V214-V216 HydrophobicContact CG1-CG2 4.5Å | ||
| 215 | P | 46.4 | Very low | 38.1 | Very low | 124 Ų | 124 | 136 Ų | 136 | 81% | 0.805 | 77% | 0.77 | S | S | * | * | trans | -87.9 | 106.9 | 174.9 | 33.3 | -26.9 | 0 | 0 | 0 | 109.8 | ||||
| 216 | V | 31.8 | Very low | 38.5 | Very low | 120 Ų | 120 | 132.3 Ų | 132.3 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | trans | -145.8 | 133.9 | 161.8 | 170.2 | 0 | 0 | 0 | 0 | 109.6 | V214 | V214-V216 HydrophobicContact CG1-CG2 4.5Š| ||
| 217 | T | 33.3 | Very low | 38.9 | Very low | 129 Ų | 129 | 133.2 Ų | 133.2 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | trans | -20.5 | 137.2 | 166.5 | 55.5 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 218 | G | 33.7 | Very low | 38.8 | Very low | 75 Ų | 75 | 134.6 Ų | 134.6 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | trans | 92.4 | 130.2 | 134.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 219 | H | 31.4 | Very low | 38.8 | Very low | 162 Ų | 162 | 135.2 Ų | 135.2 | 75% | 0.75 | 76% | 0.759 | S | S | * | * | trans | 92.1 | 115.2 | 160.9 | -133.4 | -80 | 0 | 0 | 0 | 118.3 | ||||
| 220 | E | 49.4 | Very low | 39.2 | Very low | 125 Ų | 125 | 140.7 Ų | 140.7 | 58% | 0.584 | 77% | 0.771 | S | S | * | * | trans | -41.9 | 139.3 | 176.6 | 46.1 | -100.3 | 66.7 | 0 | 0 | 116.1 | ||||
| 221 | N | 47.8 | Very low | 38.8 | Very low | 153 Ų | 153 | 140.4 Ų | 140.4 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | 143.6 | 86.5 | 133.9 | -68.7 | -33.8 | 0 | 0 | 0 | 111 | ||||
| 222 | C | 35.4 | Very low | 38.7 | Very low | 126 Ų | 126 | 136.5 Ų | 136.5 | 85% | 0.851 | 76% | 0.76 | S | S | * | * | trans | -154.7 | 132.9 | 157 | -160.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 223 | C | 37.2 | Very low | 38.7 | Very low | 81 Ų | 81 | 139.2 Ų | 139.2 | 55% | 0.547 | 77% | 0.768 | S | S | . | * | trans | 78.2 | 87.5 | 169.7 | -81.3 | 0 | 0 | 0 | 0 | 119.8 | T225 C226 | C223-T225 PolarHBondContact O-N 3.02Å; C223-C226 PolarHBondContact O-N 2.82Å | ||
| 224 | L | 45.8 | Very low | 38.9 | Very low | 179 Ų | 179 | 138.7 Ų | 138.7 | 94% | 0.937 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.1 | 10 | 154 | -84.7 | 151.4 | 0 | 0 | 0 | 115.3 | ||
| 225 | T | 43.8 | Very low | 38.7 | Very low | 116 Ų | 116 | 136.9 Ų | 136.9 | 71% | 0.712 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.6 | -9.6 | 179.8 | -29.9 | 0 | 0 | 0 | 0 | 112.9 | C223 | C223-T225 PolarHBondContact O-N 3.02Š|
| 226 | C | 46.8 | Very low | 38 | Very low | 102 Ų | 102 | 137.8 Ų | 137.8 | 69% | 0.689 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -84.1 | -16.3 | 176.6 | -73.2 | 0 | 0 | 0 | 0 | 113.9 | C223 K228 | C223-C226 PolarHBondContact O-N 2.82Å; C226-K228 VanDerWaalsContact C-N 3.32Å; C226-K228 PolarHBondContact O-N 2.94Å |
| 227 | D | 40.4 | Very low | 38.1 | Very low | 115 Ų | 115 | 137.6 Ų | 137.6 | 62% | 0.615 | 76% | 0.763 | S | S | * | * | G | 310 helix | trans | -73.8 | -24.3 | -177.4 | -145 | -23.3 | 0 | 0 | 0 | 112.6 | M229 R230 | D227-M229 VanDerWaalsContact C-N 3.27Å; D227-M229 PolarHBondContact O-N 2.97Å; D227-R230 PolarHBondContact O-N 3.2Å |
| 228 | K | 36.1 | Very low | 38.3 | Very low | 199 Ų | 199 | 140.1 Ų | 140.1 | 87% | 0.865 | 76% | 0.763 | S | S | * | * | G | 310 helix | trans | -75.4 | -8.6 | -174.2 | -158.6 | 169.1 | -177.4 | 177.3 | 0 | 114.9 | C226 | C226-K228 VanDerWaalsContact C-N 3.32Å; C226-K228 PolarHBondContact O-N 2.94Å |
| 229 | M | 40 | Very low | 38.7 | Very low | 182 Ų | 182 | 143 Ų | 143 | 90% | 0.897 | 76% | 0.76 | S | S | * | * | G | 310 helix | trans | -102.4 | -6.7 | 179.3 | -107.9 | 160.7 | -154.4 | 0 | 0 | 114.4 | D227 | D227-M229 VanDerWaalsContact C-N 3.27Å; D227-M229 PolarHBondContact O-N 2.97Å |
| 230 | R | 41.2 | Very low | 39.1 | Very low | 225 Ų | 225 | 142.9 Ų | 142.9 | 85% | 0.849 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -95.2 | 4.6 | -173.8 | -150.2 | 176 | 174.6 | 142.1 | 0.1 | 114.3 | D227 | D227-R230 PolarHBondContact O-N 3.2Š|
| 231 | Q | 34.9 | Very low | 38.2 | Very low | 170 Ų | 170 | 143 Ų | 143 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -120.8 | 13.2 | -170.7 | -133.9 | 145.2 | 28.2 | 0 | 0 | 115.3 | ||
| 232 | A | 33.5 | Very low | 38 | Very low | 77 Ų | 77 | 143.1 Ų | 143.1 | 64% | 0.636 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -104.7 | 133 | 160.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||
| 233 | D | 35.3 | Very low | 38.3 | Very low | 164 Ų | 164 | 142.7 Ų | 142.7 | 88% | 0.877 | 77% | 0.771 | S | S | * | * | trans | 87.1 | 49.1 | 179.1 | -53 | -33.7 | 0 | 0 | 0 | 117.2 | ||||
| 234 | L | 38.9 | Very low | 38.2 | Very low | 182 Ų | 182 | 146.9 Ų | 146.9 | 95% | 0.953 | 78% | 0.782 | S | S | * | * | trans | -88.7 | 96.6 | 141.2 | -95.9 | 155.5 | 0 | 0 | 0 | 107.9 | ||||
| 235 | G | 30.4 | Very low | 37.7 | Very low | 68 Ų | 68 | 149.6 Ų | 149.6 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | trans | -165.3 | 90.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 236 | N | 30.6 | Very low | 37.1 | Very low | 144 Ų | 144 | 146.6 Ų | 146.6 | 77% | 0.77 | 77% | 0.772 | S | S | * | * | trans | 81.9 | 115 | 159.2 | -99.7 | 12.9 | 0 | 0 | 0 | 121.1 | ||||
| 237 | D | 35 | Very low | 36.4 | Very low | 116 Ų | 116 | 150.6 Ų | 150.6 | 62% | 0.62 | 78% | 0.783 | S | S | * | * | trans | 75.5 | 93.1 | 137.7 | -56.5 | -34.8 | 0 | 0 | 0 | 118.4 | ||||
| 238 | K | 35.6 | Very low | 36.1 | Very low | 181 Ų | 181 | 156.4 Ų | 156.4 | 79% | 0.787 | 80% | 0.798 | S | S | * | * | 74.3 | 117.3 | 85.4 | -91.7 | -178.8 | 177.5 | 174.3 | 0 | 113.2 | |||||
| 239 | I | 42.3 | Very low | 36.1 | Very low | 137 Ų | 137 | 152.7 Ų | 152.7 | 70% | 0.703 | 80% | 0.797 | S | S | * | * | trans | 99 | 103.1 | 135.9 | -64 | 165.9 | 0 | 0 | 0 | 115.8 | ||||
| 240 | L | 40.1 | Very low | 35.8 | Very low | 158 Ų | 158 | 147.1 Ų | 147.1 | 83% | 0.827 | 79% | 0.787 | S | S | * | * | trans | 88.5 | 90.6 | 148.6 | -58.1 | 165.9 | 0 | 0 | 0 | 119.1 | ||||
| 241 | S | 31.6 | Very low | 35.5 | Very low | 127 Ų | 127 | 146.3 Ų | 146.3 | 89% | 0.888 | 79% | 0.792 | S | S | * | * | trans | -125.7 | 92.2 | 143 | -167.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 242 | L | 42.9 | Very low | 35.4 | Very low | 157 Ų | 157 | 141.6 Ų | 141.6 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | trans | -101.1 | 91.7 | 167.8 | -177.4 | 85 | 0 | 0 | 0 | 107.3 | ||||
| 243 | V | 42 | Very low | 35.3 | Very low | 116 Ų | 116 | 147.1 Ų | 147.1 | 70% | 0.703 | 80% | 0.799 | S | S | * | * | trans | -148.5 | 97.9 | 147.4 | -168.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 244 | H | 34.7 | Very low | 35.6 | Very low | 169 Ų | 169 | 146.2 Ų | 146.2 | 78% | 0.782 | 79% | 0.793 | S | S | * | * | trans | -82 | 106.2 | 172.8 | 171.7 | -77.1 | 0 | 0 | 0 | 109.1 | G246 | H244-G246 PolarHBondContact ND1-N 3.04Å; H244-G246 PolarHBondContact O-N 3.17Å | ||
| 245 | W | 35.6 | Very low | 35.2 | Very low | 237 Ų | 237 | 147 Ų | 147 | 90% | 0.898 | 79% | 0.792 | S | S | * | * | trans | -81.4 | 103 | 164.7 | -90.7 | 78.8 | 0 | 0 | 0 | 108.6 | ||||
| 246 | G | 31.8 | Very low | 35.3 | Very low | 52 Ų | 52 | 152.8 Ų | 152.8 | 54% | 0.536 | 80% | 0.798 | S | S | . | * | trans | -74.4 | 120.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | H244 | H244-G246 PolarHBondContact ND1-N 3.04Å; H244-G246 PolarHBondContact O-N 3.17Å | ||
| 247 | M | 31.2 | Very low | 35.3 | Very low | 186 Ų | 186 | 156.1 Ų | 156.1 | 92% | 0.916 | 82% | 0.823 | S | S | * | * | trans | -98.6 | 105.1 | 169.8 | -156.9 | 160 | 69.8 | 0 | 0 | 107.3 | S249 | M247-S249 PolarHBondContact O-N 2.88Š| ||
| 248 | Y | 33.9 | Very low | 35.4 | Very low | 237 Ų | 237 | 158.1 Ų | 158.1 | 93% | 0.929 | 83% | 0.833 | S | S | * | * | trans | -75.2 | 114.8 | 176.5 | -122.9 | -97.6 | 0 | 0 | 0 | 109 | ||||
| 249 | S | 36.2 | Very low | 35.3 | Very low | 121 Ų | 121 | 156.9 Ų | 156.9 | 85% | 0.846 | 84% | 0.835 | S | S | * | * | trans | -128.8 | 116.1 | 163.1 | 175.5 | 0 | 0 | 0 | 0 | 106.7 | M247 | M247-S249 PolarHBondContact O-N 2.88Š| ||
| 250 | G | 34.4 | Very low | 35 | Very low | 66 Ų | 66 | 158 Ų | 158 | 68% | 0.68 | 84% | 0.843 | S | S | * | * | trans | -168.8 | 87 | -174.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 251 | H | 35.8 | Very low | 34.7 | Very low | 208 Ų | 208 | 158 Ų | 158 | 96% | 0.963 | 84% | 0.844 | S | S | * | * | trans | -64.1 | 123.4 | 166.8 | -152 | -94.5 | 0 | 0 | 0 | 109 | ||||
| 252 | G | 32.8 | Very low | 34.8 | Very low | 71 Ų | 71 | 159.9 Ų | 159.9 | 73% | 0.732 | 84% | 0.841 | S | S | * | * | trans | -162 | 85.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 253 | K | 31.2 | Very low | 34.3 | Very low | 193 Ų | 193 | 160.1 Ų | 160.1 | 84% | 0.839 | 84% | 0.842 | S | S | * | * | trans | 17.2 | 121.2 | 144.3 | -150.8 | 173.9 | -176.9 | -178.2 | 0 | 119.6 | ||||
| 254 | L | 40.3 | Very low | 33.8 | Very low | 144 Ų | 144 | 163.3 Ų | 163.3 | 75% | 0.754 | 85% | 0.852 | S | S | * | * | trans | 7.7 | 122.9 | 144.3 | -70.4 | 141.6 | 0 | 0 | 0 | 118.6 | ||||
| 255 | E | 31.9 | Very low | 33.7 | Very low | 198 Ų | 198 | 162.8 Ų | 162.8 | 93% | 0.925 | 86% | 0.858 | S | S | * | * | trans | -142.7 | 140.9 | 134.9 | -72.5 | -161.2 | 152.5 | 0 | 0 | 110.5 | ||||
| 256 | F | 32 | Very low | 33.5 | Very low | 191 Ų | 191 | 156.7 Ų | 156.7 | 84% | 0.838 | 85% | 0.854 | S | S | * | * | trans | -78.6 | 138.2 | -179.7 | -86.6 | -106.4 | 0 | 0 | 0 | 111.8 | ||||
| 257 | V | 30.9 | Very low | 33.7 | Very low | 213 Ų | 213 | 166.2 Ų | 166.2 | 100% | 1.291 | 88% | 0.883 | S | S | * | * | -148.5 | 0 | 128.4 | 174.1 | 0 | 0 | 0 | 0 | 107.8 |
Retrieved 257 of 257 residues in 446.5 ms
(Link to these results)