| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 50.3 | Low | 69.2 | Low | 208 Ų | 208 | 132.7 Ų | 132.7 | 100% | 1.025 | 65% | 0.646 | S | S | * | * | 0 | -36.7 | 0 | -74 | 169 | 173.7 | 0 | 0 | 112.2 | R3 Q4 S5 | M1-R3 PolarHBondContact O-N 3.42Å; M1-Q4 PolarHBondContact O-N 2.72Å; M1-S5 PolarHBondContact O-N 2.8Å | |||
| 2 | E | 54.1 | Low | 70.5 | Confident | 169 Ų | 169 | 130.9 Ų | 130.9 | 79% | 0.79 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -59.1 | -40.5 | -179.5 | -60.5 | -149.8 | 140.1 | 0 | 0 | 115.4 | Q4 S5 S6 | E2-Q4 VanDerWaalsContact C-N 3.31Å; E2-Q4 PolarHBondContact O-N 3.45Å; E2-S5 WeakPolarHBondContact O-CB 3.04Å; E2-S5 PolarHBondContact O-N 3.27Å; E2-S5 VanDerWaalsContact O-N 3.16Å; E2-S6 PolarHBondContact O-N 2.92Å; E2-S6 VanDerWaalsContact O-N 3.09Å; E2-S6 PolarHBondContact O-OG 3.46Å |
| 3 | R | 57.6 | Low | 71.5 | Confident | 202 Ų | 202 | 129.6 Ų | 129.6 | 76% | 0.762 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -64.9 | -31.9 | -178.7 | -168.3 | 175.6 | -70.3 | -173.6 | -1.7 | 113.5 | M1 F7 | M1-R3 PolarHBondContact O-N 3.42Å; R3-F7 HydrophobicContact CG-CD2 4.35Å; R3-F7 HydrophobicContact CG-CE2 3.75Å; R3-F7 WeakPolarHBondContact O-CD2 3.23Å; R3-F7 PolarHBondContact O-N 3.41Å |
| 4 | Q | 59.5 | Low | 72.5 | Confident | 142 Ų | 142 | 128.6 Ų | 128.6 | 66% | 0.664 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -74.5 | -34.6 | 175.8 | -77.9 | 176.3 | -36.8 | 0 | 0 | 111.6 | M1 E2 F7 I8 | M1-Q4 PolarHBondContact O-N 2.72Å; E2-Q4 VanDerWaalsContact C-N 3.31Å; E2-Q4 PolarHBondContact O-N 3.45Å; Q4-F7 PolarHBondContact O-N 3.38Å; Q4-I8 WeakPolarHBondContact O-CG1 3.47Å; Q4-I8 PolarHBondContact O-N 3.2Å |
| 5 | S | 62 | Low | 73.4 | Confident | 79 Ų | 79 | 126.4 Ų | 126.4 | 55% | 0.552 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -64.7 | -39.1 | 174.7 | -176.3 | 0 | 0 | 0 | 0 | 111.9 | M1 E2 F7 I8 S9 | M1-S5 PolarHBondContact O-N 2.8Å; E2-S5 WeakPolarHBondContact O-CB 3.04Å; E2-S5 PolarHBondContact O-N 3.27Å; E2-S5 VanDerWaalsContact O-N 3.16Å; S5-F7 PolarHBondContact O-N 3.44Å; S5-I8 PolarHBondContact O-N 3.02Å; S5-S9 WeakPolarHBondContact O-CB 3.47Å; S5-S9 PolarHBondContact O-N 3.12Å |
| 6 | S | 70.4 | Confident | 74 | Confident | 66 Ų | 66 | 124.8 Ų | 124.8 | 46% | 0.462 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -63.1 | -39.6 | 174.9 | -58.3 | 0 | 0 | 0 | 0 | 113.5 | E2 S9 I10 | E2-S6 PolarHBondContact O-N 2.92Å; E2-S6 VanDerWaalsContact O-N 3.09Å; E2-S6 PolarHBondContact O-OG 3.46Å; S6-S9 PolarHBondContact O-N 3.21Å; S6-I10 WeakPolarHBondContact O-CD1 3.31Å; S6-I10 WeakPolarHBondContact O-CG1 3.45Å; S6-I10 PolarHBondContact O-N 3.39Å |
| 7 | F | 76.6 | Confident | 74.4 | Confident | 128 Ų | 128 | 121.1 Ų | 121.1 | 56% | 0.561 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -68.8 | -39.2 | 178.2 | -72.5 | -60.9 | 0 | 0 | 0 | 112.6 | R3 Q4 S5 S9 I10 W11 | R3-F7 HydrophobicContact CG-CD2 4.35Å; R3-F7 HydrophobicContact CG-CE2 3.75Å; R3-F7 WeakPolarHBondContact O-CD2 3.23Å; R3-F7 PolarHBondContact O-N 3.41Å; Q4-F7 PolarHBondContact O-N 3.38Å; S5-F7 PolarHBondContact O-N 3.44Å; F7-S9 VanDerWaalsContact C-N 3.33Å; F7-I10 PolarHBondContact O-N 3.32Å; F7-W11 WeakPolarHBondContact O-CB 3.32Å; F7-W11 PolarHBondContact O-N 3.14Å |
| 8 | I | 82 | Confident | 74.8 | Confident | 120 Ų | 120 | 116.9 Ų | 116.9 | 62% | 0.615 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -65 | -41 | 175.5 | -65.2 | 164.9 | 0 | 0 | 0 | 110.2 | Q4 S5 W11 L12 | Q4-I8 WeakPolarHBondContact O-CG1 3.47Å; Q4-I8 PolarHBondContact O-N 3.2Å; S5-I8 PolarHBondContact O-N 3.02Å; I8-W11 PolarHBondContact O-N 3.08Å; I8-L12 WeakPolarHBondContact O-CB 3.38Å; I8-L12 PolarHBondContact O-N 2.98Å |
| 9 | S | 78.6 | Confident | 75 | Confident | 71 Ų | 71 | 115.9 Ų | 115.9 | 50% | 0.497 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -64.1 | -42.9 | 176.2 | 175 | 0 | 0 | 0 | 0 | 112.5 | S5 S6 F7 W11 L12 Q13 | S5-S9 WeakPolarHBondContact O-CB 3.47Å; S5-S9 PolarHBondContact O-N 3.12Å; S6-S9 PolarHBondContact O-N 3.21Å; F7-S9 VanDerWaalsContact C-N 3.33Å; S9-W11 VanDerWaalsContact C-N 3.35Å; S9-L12 PolarHBondContact O-N 3.11Å; S9-Q13 VanDerWaalsContact O-CB 3.29Å; S9-Q13 WeakPolarHBondContact O-CB 3.43Å; S9-Q13 PolarHBondContact O-N 2.9Å |
| 10 | I | 84.6 | Confident | 75.1 | Confident | 106 Ų | 106 | 112.8 Ų | 112.8 | 54% | 0.544 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -64.7 | -41 | 176.5 | -68.1 | 162 | 0 | 0 | 0 | 111 | S6 F7 Q13 L14 | S6-I10 WeakPolarHBondContact O-CD1 3.31Å; S6-I10 WeakPolarHBondContact O-CG1 3.45Å; S6-I10 PolarHBondContact O-N 3.39Å; F7-I10 PolarHBondContact O-N 3.32Å; I10-Q13 PolarHBondContact O-N 3.14Å; I10-L14 WeakPolarHBondContact O-CB 3.46Å; I10-L14 PolarHBondContact O-N 3.36Å |
| 11 | W | 84.9 | Confident | 75.1 | Confident | 169 Ų | 169 | 112.4 Ų | 112.4 | 64% | 0.64 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -62.3 | -47.6 | 175.4 | -112.4 | 89.8 | 0 | 0 | 0 | 111.9 | F7 I8 S9 Q13 L14 E15 | F7-W11 WeakPolarHBondContact O-CB 3.32Å; F7-W11 PolarHBondContact O-N 3.14Å; I8-W11 PolarHBondContact O-N 3.08Å; S9-W11 VanDerWaalsContact C-N 3.35Å; W11-Q13 VanDerWaalsContact C-N 3.29Å; W11-Q13 PolarHBondContact O-N 3.22Å; W11-L14 PolarHBondContact O-N 3Å; W11-E15 HydrophobicContact CE3-CG 4.04Å; W11-E15 HydrophobicContact CZ3-CG 4.29Å; W11-E15 VanDerWaalsContact CZ3-OE1 3.28Å; W11-E15 WeakPolarHBondContact CZ3-OE1 3.26Å; W11-E15 WeakPolarHBondContact O-CG 3.42Å; W11-E15 PolarHBondContact O-N 2.81Å |
| 12 | L | 84.9 | Confident | 76 | Confident | 111 Ų | 111 | 109 Ų | 109 | 58% | 0.581 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -61.6 | -40.1 | 176.9 | -161.4 | 94.1 | 0 | 0 | 0 | 111.5 | I8 S9 E15 L16 | I8-L12 WeakPolarHBondContact O-CB 3.38Å; I8-L12 PolarHBondContact O-N 2.98Å; S9-L12 PolarHBondContact O-N 3.11Å; L12-E15 PolarHBondContact O-N 2.94Å; L12-L16 HydrophobicContact CD2-CD1 3.99Å; L12-L16 HydrophobicContact CG-CD1 4.13Å; L12-L16 WeakPolarHBondContact O-CB 3.31Å; L12-L16 WeakPolarHBondContact O-CD1 3.38Å; L12-L16 WeakPolarHBondContact O-CG 3.41Å; L12-L16 PolarHBondContact O-N 3.34Å |
| 13 | Q | 83.8 | Confident | 76.5 | Confident | 114 Ų | 114 | 107.2 Ų | 107.2 | 53% | 0.533 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -64.4 | -41.3 | 176.9 | -167.8 | 73.1 | 2.7 | 0 | 0 | 111.3 | S9 I10 W11 L16 C17 | S9-Q13 VanDerWaalsContact O-CB 3.29Å; S9-Q13 WeakPolarHBondContact O-CB 3.43Å; S9-Q13 PolarHBondContact O-N 2.9Å; I10-Q13 PolarHBondContact O-N 3.14Å; W11-Q13 VanDerWaalsContact C-N 3.29Å; W11-Q13 PolarHBondContact O-N 3.22Å; Q13-L16 PolarHBondContact O-N 2.88Å; Q13-C17 WeakPolarHBondContact O-CB 3.37Å; Q13-C17 PolarHBondContact O-N 3.47Å; Q13-C17 PolarHBondContact O-SG 3.01Å |
| 14 | L | 85.8 | Confident | 76.8 | Confident | 115 Ų | 115 | 102.1 Ų | 102.1 | 60% | 0.602 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -65.9 | -42.3 | 177.5 | -172.2 | 67.5 | 0 | 0 | 0 | 111.5 | I10 W11 C17 A18 | I10-L14 WeakPolarHBondContact O-CB 3.46Å; I10-L14 PolarHBondContact O-N 3.36Å; W11-L14 PolarHBondContact O-N 3Å; L14-C17 PolarHBondContact O-N 3.45Å; L14-A18 WeakPolarHBondContact O-CB 3.4Å; L14-A18 PolarHBondContact O-N 2.93Å |
| 15 | E | 85.3 | Confident | 76.9 | Confident | 96 Ų | 96 | 103.2 Ų | 103.2 | 45% | 0.449 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62.8 | -44.8 | 173.9 | -73.3 | -66.3 | 158.2 | 0 | 0 | 111.7 | W11 L12 C17 A18 M19 | W11-E15 HydrophobicContact CE3-CG 4.04Å; W11-E15 HydrophobicContact CZ3-CG 4.29Å; W11-E15 VanDerWaalsContact CZ3-OE1 3.28Å; W11-E15 WeakPolarHBondContact CZ3-OE1 3.26Å; W11-E15 WeakPolarHBondContact O-CG 3.42Å; W11-E15 PolarHBondContact O-N 2.81Å; L12-E15 PolarHBondContact O-N 2.94Å; E15-C17 VanDerWaalsContact C-N 3.34Å; E15-C17 PolarHBondContact O-N 2.83Å; E15-A18 PolarHBondContact O-N 2.98Å; E15-M19 WeakPolarHBondContact O-CB 3.29Å; E15-M19 WeakPolarHBondContact O-CG 3.49Å; E15-M19 PolarHBondContact O-N 2.87Å |
| 16 | L | 83.3 | Confident | 77 | Confident | 100 Ų | 100 | 102 Ų | 102 | 52% | 0.524 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -61.6 | -41.4 | 174.3 | -85.1 | 157.3 | 0 | 0 | 0 | 111.9 | L12 Q13 A20 | L12-L16 HydrophobicContact CD2-CD1 3.99Å; L12-L16 HydrophobicContact CG-CD1 4.13Å; L12-L16 WeakPolarHBondContact O-CB 3.31Å; L12-L16 WeakPolarHBondContact O-CD1 3.38Å; L12-L16 WeakPolarHBondContact O-CG 3.41Å; L12-L16 PolarHBondContact O-N 3.34Å; Q13-L16 PolarHBondContact O-N 2.88Å; L16-A20 VanDerWaalsContact O-CB 3.22Å; L16-A20 WeakPolarHBondContact O-CB 3.46Å; L16-A20 PolarHBondContact O-N 3.32Å |
| 17 | C | 81 | Confident | 77.2 | Confident | 63 Ų | 63 | 102.3 Ų | 102.3 | 43% | 0.426 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.9 | -41.7 | 175.2 | -75.2 | 0 | 0 | 0 | 0 | 111.8 | Q13 L14 E15 A20 V21 | Q13-C17 WeakPolarHBondContact O-CB 3.37Å; Q13-C17 PolarHBondContact O-N 3.47Å; Q13-C17 PolarHBondContact O-SG 3.01Å; L14-C17 PolarHBondContact O-N 3.45Å; E15-C17 VanDerWaalsContact C-N 3.34Å; E15-C17 PolarHBondContact O-N 2.83Å; C17-A20 PolarHBondContact O-N 3.45Å; C17-V21 VanDerWaalsContact O-CG2 3.3Å; C17-V21 WeakPolarHBondContact O-CG2 3.48Å; C17-V21 PolarHBondContact O-N 3.25Å |
| 18 | A | 81.7 | Confident | 77.5 | Confident | 45 Ų | 45 | 96.9 Ų | 96.9 | 37% | 0.372 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.8 | -47.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111 | L14 E15 A20 V21 L22 | L14-A18 WeakPolarHBondContact O-CB 3.4Å; L14-A18 PolarHBondContact O-N 2.93Å; E15-A18 PolarHBondContact O-N 2.98Å; A18-A20 VanDerWaalsContact C-N 3.34Å; A18-A20 PolarHBondContact O-N 3.38Å; A18-V21 PolarHBondContact O-N 3.47Å; A18-L22 WeakPolarHBondContact O-CB 3.42Å; A18-L22 VanDerWaalsContact O-CG 3.22Å; A18-L22 WeakPolarHBondContact O-CG 3.4Å; A18-L22 PolarHBondContact O-N 3Å |
| 19 | M | 77.7 | Confident | 77.8 | Confident | 99 Ų | 99 | 96.4 Ų | 96.4 | 49% | 0.488 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.9 | -38.2 | 175.4 | -68.8 | -57.2 | -64.4 | 0 | 0 | 112 | E15 L22 L23 | E15-M19 WeakPolarHBondContact O-CB 3.29Å; E15-M19 WeakPolarHBondContact O-CG 3.49Å; E15-M19 PolarHBondContact O-N 2.87Å; M19-L22 PolarHBondContact O-N 2.85Å; M19-L22 HydrophobicContact SD-CD1 4.21Å; M19-L23 WeakPolarHBondContact O-CB 3.4Å; M19-L23 WeakPolarHBondContact O-CD1 3.31Å; M19-L23 WeakPolarHBondContact O-CG 3.11Å; M19-L23 PolarHBondContact O-N 2.83Å |
| 20 | A | 78.3 | Confident | 78.3 | Confident | 53 Ų | 53 | 93 Ų | 93 | 44% | 0.438 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.3 | -43.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | L16 C17 A18 L23 T24 | L16-A20 VanDerWaalsContact O-CB 3.22Å; L16-A20 WeakPolarHBondContact O-CB 3.46Å; L16-A20 PolarHBondContact O-N 3.32Å; C17-A20 PolarHBondContact O-N 3.45Å; A18-A20 VanDerWaalsContact C-N 3.34Å; A18-A20 PolarHBondContact O-N 3.38Å; A20-L23 CarbonylContact O-C 3.58Å; A20-L23 PolarHBondContact O-N 3.12Å; A20-T24 WeakPolarHBondContact O-CG2 3.22Å; A20-T24 PolarHBondContact O-N 2.79Å |
| 21 | V | 75.3 | Confident | 78.5 | Confident | 104 Ų | 104 | 91.4 Ų | 91.4 | 63% | 0.63 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -67.4 | -34.9 | 176.2 | 172.6 | 0 | 0 | 0 | 0 | 111.9 | C17 A18 L23 T24 | C17-V21 VanDerWaalsContact O-CG2 3.3Å; C17-V21 WeakPolarHBondContact O-CG2 3.48Å; C17-V21 PolarHBondContact O-N 3.25Å; A18-V21 PolarHBondContact O-N 3.47Å; V21-L23 VanDerWaalsContact C-N 3.32Å; V21-T24 PolarHBondContact O-OG1 3.37Å |
| 22 | L | 69.1 | Low | 78.8 | Confident | 136 Ų | 136 | 83.4 Ų | 83.4 | 71% | 0.712 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -71.8 | -28.1 | 173.9 | -68.3 | 170.7 | 0 | 0 | 0 | 112.5 | A18 M19 | A18-L22 WeakPolarHBondContact O-CB 3.42Å; A18-L22 VanDerWaalsContact O-CG 3.22Å; A18-L22 WeakPolarHBondContact O-CG 3.4Å; A18-L22 PolarHBondContact O-N 3Å; M19-L22 PolarHBondContact O-N 2.85Å; M19-L22 HydrophobicContact SD-CD1 4.21Å |
| 23 | L | 64.4 | Low | 78.9 | Confident | 132 Ų | 132 | 80.9 Ų | 80.9 | 69% | 0.691 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -89 | -13.8 | 177.8 | -71.9 | 166.4 | 0 | 0 | 0 | 113.4 | M19 A20 V21 K25 | M19-L23 WeakPolarHBondContact O-CB 3.4Å; M19-L23 WeakPolarHBondContact O-CD1 3.31Å; M19-L23 WeakPolarHBondContact O-CG 3.11Å; M19-L23 PolarHBondContact O-N 2.83Å; A20-L23 CarbonylContact O-C 3.58Å; A20-L23 PolarHBondContact O-N 3.12Å; V21-L23 VanDerWaalsContact C-N 3.32Å; L23-K25 PolarHBondContact O-N 2.95Å |
| 24 | T | 62.8 | Low | 79.1 | Confident | 96 Ų | 96 | 76.6 Ų | 76.6 | 59% | 0.589 | 42% | 0.419 | S | S | * | . | trans | -68.5 | 88 | 167.1 | 54.6 | 0 | 0 | 0 | 0 | 108.3 | A20 V21 G26 | A20-T24 WeakPolarHBondContact O-CG2 3.22Å; A20-T24 PolarHBondContact O-N 2.79Å; V21-T24 PolarHBondContact O-OG1 3.37Å; T24-G26 PolarHBondContact O-N 2.97Å | ||
| 25 | K | 62.6 | Low | 79.1 | Confident | 165 Ų | 165 | 76.5 Ų | 76.5 | 72% | 0.717 | 43% | 0.426 | S | S | * | . | trans | -58.1 | 109.5 | 167.3 | -169 | 178.9 | 175.2 | 78.7 | 0 | 106.4 | L23 | L23-K25 PolarHBondContact O-N 2.95Š| ||
| 26 | G | 63.3 | Low | 79.1 | Confident | 53 Ų | 53 | 78.6 Ų | 78.6 | 55% | 0.546 | 44% | 0.435 | S | S | . | . | P | Polyproline II helix | trans | -58.1 | 145.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | T24 I28 | T24-G26 PolarHBondContact O-N 2.97Å; G26-I28 PolarHBondContact O-N 3.29Å |
| 27 | E | 76 | Confident | 79.4 | Confident | 73 Ų | 73 | 74 Ų | 74 | 34% | 0.341 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -62.3 | 123.1 | 167.2 | 178.4 | -172 | 129.5 | 0 | 0 | 109.3 | R29 K45 | E27-R29 IonicContact OE1-CZ 2.72Å; E27-R29 IonicContact OE1-NH2 2.8Å; E27-R29 PolarHBondContact OE1-NH2 2.97Å; E27-K45 HydrophobicContact CG-CD 4.06Å; E27-K45 HydrophobicContact CG-CG 3.84Å; E27-K45 WeakPolarHBondContact OE1-CD 3.26Å; E27-K45 WeakPolarHBondContact OE1-CE 3.31Å; E27-K45 WeakPolarHBondContact OE1-CG 3.48Å; E27-K45 IonicContact OE1-NZ 3.23Å; E27-K45 PolarHBondContact OE1-NZ 3.47Å; E27-K45 VanDerWaalsContact OE2-CE 3.25Å; E27-K45 WeakPolarHBondContact OE2-CE 3.36Å; E27-K45 IonicContact OE2-NZ 3.84Å; E27-K45 PolarHBondContact OE2-NZ 2.96Å |
| 28 | I | 81.7 | Confident | 79.8 | Confident | 14 Ų | 14 | 74.6 Ų | 74.6 | 7% | 0.072 | 41% | 0.413 | C | S | . | . | P | Polyproline II helix | trans | -79.7 | 126.2 | -178.7 | -61.4 | -170.6 | 0 | 0 | 0 | 110 | G26 S46 N49 H100 | G26-I28 PolarHBondContact O-N 3.29Å; I28-S46 PolarHBondContact O-N 3.39Å; I28-N49 HydrophobicContact CD1-CB 3.76Å; I28-N49 HydrophobicContact CG1-CB 4.25Å; I28-H100 WeakPolarHBondContact CD1-O 3.18Å |
| 29 | R | 87.8 | Confident | 80.1 | Confident | 110 Ų | 110 | 77.3 Ų | 77.3 | 42% | 0.415 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 136.1 | 170.4 | -62.4 | -173.8 | 174.2 | 80.4 | 13.7 | 109.5 | E27 M43 C44 D102 M103 | E27-R29 IonicContact OE1-CZ 2.72Å; E27-R29 IonicContact OE1-NH2 2.8Å; E27-R29 PolarHBondContact OE1-NH2 2.97Å; R29-M43 HydrophobicContact CB-CE 4.16Å; R29-C44 WeakPolarHBondContact CA-O 3.09Å; R29-D102 PolarHBondContact N-OD1 3.27Å; R29-M103 WeakPolarHBondContact O-CA 3.39Å; R29-M103 PolarHBondContact O-N 2.86Å |
| 30 | C | 89.1 | Confident | 80.5 | Confident | 0 Ų | 0 | 76.5 Ų | 76.5 | 0% | 0 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 156.5 | 177.6 | -50.8 | 0 | 0 | 0 | 0 | 110.4 | M43 C44 C51 C69 | C30-M43 WeakPolarHBondContact O-CA 3.22Å; C30-C44 PolarHBondContact N-O 2.91Å; C30-C44 PolarHBondContact O-N 2.88Å; C30-C51 VanDerWaalsContact CA-SG 3.59Å; C30-C51 HydrophobicContact CB-CB 3.58Å; C30-C51 WeakPolarHBondContact CB-SG 3.29Å; C30-C51 WeakPolarHBondContact SG-CA 3.27Å; C30-C51 WeakPolarHBondContact SG-CB 3.32Å; C30-C51 CovalentContact SG-SG 2.02Å; C30-C51 PolarHBondContact SG-SG 3.46Å; C30-C69 VanDerWaalsContact CB-SG 3.51Å; C30-C69 VanDerWaalsContact SG-SG 3.69Å |
| 31 | Y | 90.4 | Very high | 81 | Confident | 71 Ų | 71 | 76.3 Ų | 76.3 | 28% | 0.278 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 140.5 | 167.2 | -178.2 | -107.6 | 0 | 0 | 0 | 110.2 | Y42 H67 G68 N105 Y106 | Y31-Y42 WeakPolarHBondContact CA-O 3.42Å; Y31-Y42 WeakPolarHBondContact CD2-O 3.32Å; Y31-Y42 HydrophobicContact CE2-CG 4.4Å; Y31-H67 HydrophobicContact CD1-CB 3.74Å; Y31-H67 AromaticContact CD1-CG 3.85Å; Y31-H67 HydrophobicContact CE1-CB 4.32Å; Y31-H67 CarbonylContact O-C 3.54Å; Y31-G68 WeakPolarHBondContact O-CA 3.32Å; Y31-G68 PolarHBondContact O-N 2.78Å; Y31-N105 WeakPolarHBondContact CB-OD1 3.41Å; Y31-N105 PolarHBondContact N-OD1 3.11Å; Y31-N105 PolarHBondContact O-ND2 2.81Å; Y31-Y106 HydrophobicContact CD1-CD2 4.38Å; Y31-Y106 AromaticContact CD2-CD2 3.74Å; Y31-Y106 HydrophobicContact CD2-CD2 3.74Å; Y31-Y106 HydrophobicContact CD2-CE2 4.24Å; Y31-Y106 HydrophobicContact CE2-CD2 4.12Å; Y31-Y106 HydrophobicContact CE2-CE2 4.21Å; Y31-Y106 AromaticContact CG-CD2 3.88Å; Y31-Y106 HydrophobicContact CG-CD2 3.88Å |
| 32 | C | 90 | Very high | 81.6 | Confident | 2 Ų | 2 | 76.5 Ų | 76.5 | 1% | 0.014 | 43% | 0.429 | C | S | . | . | trans | -143.3 | 122.1 | -176.1 | 173.5 | 0 | 0 | 0 | 0 | 110.8 | C37 Y42 C44 H67 | C32-C37 HydrophobicContact CB-CB 3.54Å; C32-C37 WeakPolarHBondContact CB-SG 3.34Å; C32-C37 WeakPolarHBondContact SG-CB 3.39Å; C32-C37 CovalentContact SG-SG 2.03Å; C32-C37 PolarHBondContact SG-SG 2.89Å; C32-Y42 PolarHBondContact N-O 2.88Å; C32-Y42 CarbonylContact O-C 3.59Å; C32-Y42 VanDerWaalsContact O-CA 3.29Å; C32-Y42 WeakPolarHBondContact O-CA 3.3Å; C32-Y42 VanDerWaalsContact O-CB 3.31Å; C32-Y42 WeakPolarHBondContact O-CB 3.22Å; C32-Y42 VanDerWaalsContact O-CD1 3.32Å; C32-Y42 WeakPolarHBondContact O-CD1 3.41Å; C32-C44 HydrophobicContact CB-CB 3.98Å; C32-H67 WeakPolarHBondContact CA-O 3.22Å | ||
| 33 | D | 88.6 | Confident | 82.6 | Confident | 57 Ų | 57 | 73.4 Ų | 73.4 | 31% | 0.305 | 41% | 0.412 | S | S | . | . | trans | -92.3 | -4.7 | -179.7 | 66 | -39 | 0 | 0 | 0 | 113.5 | T66 H67 | D33-T66 WeakPolarHBondContact OD1-CG2 3.14Å; D33-T66 WeakPolarHBondContact OD2-CA 2.89Å; D33-H67 PolarHBondContact N-O 3.3Å; D33-H67 PolarHBondContact OD1-N 2.87Å | ||
| 34 | A | 86.1 | Confident | 83.7 | Confident | 24 Ų | 24 | 68 Ų | 68 | 20% | 0.198 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -69.5 | 150.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | H36 C37 | A34-H36 WeakPolarHBondContact CB-CE1 3.33Å; A34-H36 VanDerWaalsContact CB-ND1 3.35Å; A34-H36 WeakPolarHBondContact CB-ND1 3.26Å; A34-H36 PolarHBondContact O-N 2.83Å; A34-H36 VanDerWaalsContact O-N 3.11Å; A34-C37 WeakPolarHBondContact O-CB 3.44Å; A34-C37 PolarHBondContact O-N 3.44Å |
| 35 | P | 86.6 | Confident | 84.9 | Confident | 114 Ų | 114 | 68.5 Ų | 68.5 | 74% | 0.74 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -61.6 | -27.5 | -175 | 23.4 | -34.5 | 0 | 0 | 0 | 113.6 | C37 V38 | P35-C37 PolarHBondContact O-N 3.19Å; P35-V38 WeakPolarHBondContact O-CG2 3.34Å; P35-V38 PolarHBondContact O-N 2.84Å |
| 36 | H | 85.3 | Confident | 85.7 | Confident | 140 Ų | 140 | 60.7 Ų | 60.7 | 65% | 0.648 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -69.1 | -21.7 | 176.4 | 65.7 | -94.1 | 0 | 0 | 0 | 113 | A34 | A34-H36 WeakPolarHBondContact CB-CE1 3.33Å; A34-H36 VanDerWaalsContact CB-ND1 3.35Å; A34-H36 WeakPolarHBondContact CB-ND1 3.26Å; A34-H36 PolarHBondContact O-N 2.83Å; A34-H36 VanDerWaalsContact O-N 3.11Å |
| 37 | C | 88.6 | Confident | 86.5 | Confident | 2 Ų | 2 | 64.3 Ų | 64.3 | 1% | 0.014 | 35% | 0.348 | C | S | . | . | G | 310 helix | trans | -86.3 | -5.2 | 179.1 | -63.9 | 0 | 0 | 0 | 0 | 113.3 | C32 A34 P35 A39 T40 G41 Y42 | C32-C37 HydrophobicContact CB-CB 3.54Å; C32-C37 WeakPolarHBondContact CB-SG 3.34Å; C32-C37 WeakPolarHBondContact SG-CB 3.39Å; C32-C37 CovalentContact SG-SG 2.03Å; C32-C37 PolarHBondContact SG-SG 2.89Å; A34-C37 WeakPolarHBondContact O-CB 3.44Å; A34-C37 PolarHBondContact O-N 3.44Å; P35-C37 PolarHBondContact O-N 3.19Å; C37-A39 PolarHBondContact O-N 3.38Å; C37-T40 WeakPolarHBondContact CA-OG1 3.28Å; C37-T40 CarbonylContact O-C 3.54Å; C37-T40 PolarHBondContact O-N 2.92Å; C37-T40 PolarHBondContact O-OG1 3.29Å; C37-G41 PolarHBondContact O-N 2.82Å; C37-Y42 WeakPolarHBondContact O-CA 3.31Å; C37-Y42 PolarHBondContact O-N 3.31Å |
| 38 | V | 89.6 | Confident | 86.4 | Confident | 76 Ų | 76 | 64.1 Ų | 64.1 | 46% | 0.461 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -65.1 | -41.1 | -179.8 | 176.9 | 0 | 0 | 0 | 0 | 111.2 | P35 T40 G41 Y42 | P35-V38 WeakPolarHBondContact O-CG2 3.34Å; P35-V38 PolarHBondContact O-N 2.84Å; V38-T40 PolarHBondContact O-N 3.34Å; V38-G41 PolarHBondContact O-N 3.26Å; V38-G41 VanDerWaalsContact O-N 3.14Å; V38-Y42 HydrophobicContact CG2-CE1 4.03Å |
| 39 | A | 88.9 | Confident | 86.3 | Confident | 102 Ų | 102 | 65.9 Ų | 65.9 | 84% | 0.843 | 36% | 0.359 | S | S | * | . | G | 310 helix | trans | -65.4 | -21.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | C37 | C37-A39 PolarHBondContact O-N 3.38Š|
| 40 | T | 85.9 | Confident | 86.1 | Confident | 82 Ų | 82 | 60.8 Ų | 60.8 | 50% | 0.503 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -102.3 | 8.2 | 179.1 | 55.5 | 0 | 0 | 0 | 0 | 112.8 | C37 V38 M43 | C37-T40 WeakPolarHBondContact CA-OG1 3.28Å; C37-T40 CarbonylContact O-C 3.54Å; C37-T40 PolarHBondContact O-N 2.92Å; C37-T40 PolarHBondContact O-OG1 3.29Å; V38-T40 PolarHBondContact O-N 3.34Å; T40-M43 WeakPolarHBondContact CB-O 3.46Å; T40-M43 PolarHBondContact OG1-O 3.44Å |
| 41 | G | 87.9 | Confident | 86 | Confident | 49 Ų | 49 | 60.8 Ų | 60.8 | 51% | 0.505 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.1 | 36.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | C37 V38 M43 | C37-G41 PolarHBondContact O-N 2.82Å; V38-G41 PolarHBondContact O-N 3.26Å; V38-G41 VanDerWaalsContact O-N 3.14Å; G41-M43 PolarHBondContact O-N 2.89Å |
| 42 | Y | 89.1 | Confident | 85.8 | Confident | 108 Ų | 108 | 59.3 Ų | 59.3 | 42% | 0.424 | 34% | 0.335 | S | S | . | . | S | Bend | trans | 62.7 | 29.7 | -175.6 | -59.2 | -85.8 | 0 | 0 | 0 | 113.5 | Y31 C32 C37 V38 | Y31-Y42 WeakPolarHBondContact CA-O 3.42Å; Y31-Y42 WeakPolarHBondContact CD2-O 3.32Å; Y31-Y42 HydrophobicContact CE2-CG 4.4Å; C32-Y42 PolarHBondContact N-O 2.88Å; C32-Y42 CarbonylContact O-C 3.59Å; C32-Y42 VanDerWaalsContact O-CA 3.29Å; C32-Y42 WeakPolarHBondContact O-CA 3.3Å; C32-Y42 VanDerWaalsContact O-CB 3.31Å; C32-Y42 WeakPolarHBondContact O-CB 3.22Å; C32-Y42 VanDerWaalsContact O-CD1 3.32Å; C32-Y42 WeakPolarHBondContact O-CD1 3.41Å; C37-Y42 WeakPolarHBondContact O-CA 3.31Å; C37-Y42 PolarHBondContact O-N 3.31Å; V38-Y42 HydrophobicContact CG2-CE1 4.03Å |
| 43 | M | 90.1 | Very high | 85.5 | Confident | 72 Ų | 72 | 59.6 Ų | 59.6 | 36% | 0.355 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 137.2 | 179.1 | -58.2 | 177.9 | 78.1 | 0 | 0 | 109.9 | R29 C30 T40 G41 M103 | R29-M43 HydrophobicContact CB-CE 4.16Å; C30-M43 WeakPolarHBondContact O-CA 3.22Å; T40-M43 WeakPolarHBondContact CB-O 3.46Å; T40-M43 PolarHBondContact OG1-O 3.44Å; G41-M43 PolarHBondContact O-N 2.89Å; M43-M103 HydrophobicContact CE-SD 4.1Å |
| 44 | C | 87.8 | Confident | 85.2 | Confident | 19 Ų | 19 | 60.5 Ų | 60.5 | 13% | 0.128 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 152.8 | 171.8 | 62.3 | 0 | 0 | 0 | 0 | 110.3 | R29 C30 C32 C69 | R29-C44 WeakPolarHBondContact CA-O 3.09Å; C30-C44 PolarHBondContact N-O 2.91Å; C30-C44 PolarHBondContact O-N 2.88Å; C32-C44 HydrophobicContact CB-CB 3.98Å; C44-C69 HydrophobicContact CB-CB 3.88Å; C44-C69 WeakPolarHBondContact CB-SG 2.99Å; C44-C69 PolarHBondContact O-SG 3.36Å; C44-C69 WeakPolarHBondContact SG-CB 3.2Å; C44-C69 PolarHBondContact SG-N 3.18Å; C44-C69 CovalentContact SG-SG 2.03Å; C44-C69 PolarHBondContact SG-SG 3.42Å |
| 45 | K | 87.1 | Confident | 84.8 | Confident | 105 Ų | 105 | 60.9 Ų | 60.9 | 46% | 0.457 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 126.6 | 172.5 | 175.2 | -176.1 | 178.1 | 151.6 | 0 | 108.5 | E27 C69 | E27-K45 HydrophobicContact CG-CD 4.06Å; E27-K45 HydrophobicContact CG-CG 3.84Å; E27-K45 WeakPolarHBondContact OE1-CD 3.26Å; E27-K45 WeakPolarHBondContact OE1-CE 3.31Å; E27-K45 WeakPolarHBondContact OE1-CG 3.48Å; E27-K45 IonicContact OE1-NZ 3.23Å; E27-K45 PolarHBondContact OE1-NZ 3.47Å; E27-K45 VanDerWaalsContact OE2-CE 3.25Å; E27-K45 WeakPolarHBondContact OE2-CE 3.36Å; E27-K45 IonicContact OE2-NZ 3.84Å; E27-K45 PolarHBondContact OE2-NZ 2.96Å; K45-C69 VanDerWaalsContact C-SG 3.57Å |
| 46 | S | 80.4 | Confident | 84 | Confident | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.007 | 33% | 0.325 | C | S | . | . | trans | -96.2 | 117.8 | 176.9 | 175.1 | 0 | 0 | 0 | 0 | 110.8 | I28 L48 N49 A50 | I28-S46 PolarHBondContact O-N 3.39Å; S46-L48 VanDerWaalsContact C-N 3.26Å; S46-L48 PolarHBondContact O-N 3.09Å; S46-L48 PolarHBondContact OG-N 3.16Å; S46-N49 PolarHBondContact O-N 3.48Å; S46-N49 PolarHBondContact OG-N 2.99Å; S46-N49 VanDerWaalsContact OG-N 3.15Å; S46-A50 WeakPolarHBondContact CB-O 3.45Å; S46-A50 PolarHBondContact OG-N 3.14Å; S46-A50 PolarHBondContact OG-O 3.38Å | ||
| 47 | E | 78.8 | Confident | 83.1 | Confident | 129 Ų | 129 | 56.1 Ų | 56.1 | 60% | 0.603 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -29.2 | 172.6 | -60.5 | -59.4 | 145.1 | 0 | 0 | 112.1 | N49 P72 | E47-N49 VanDerWaalsContact C-N 3.33Å; E47-P72 HydrophobicContact CB-CG 4.35Å |
| 48 | L | 74.6 | Confident | 81.9 | Confident | 70 Ų | 70 | 58.8 Ų | 58.8 | 37% | 0.366 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 9.2 | 177.5 | -65.1 | 177.2 | 0 | 0 | 0 | 114 | S46 A50 L70 | S46-L48 VanDerWaalsContact C-N 3.26Å; S46-L48 PolarHBondContact O-N 3.09Å; S46-L48 PolarHBondContact OG-N 3.16Å; L48-A50 PolarHBondContact O-N 3.32Å; L48-L70 HydrophobicContact CD1-CB 4.19Å |
| 49 | N | 78.6 | Confident | 80.6 | Confident | 51 Ų | 51 | 62.9 Ų | 62.9 | 27% | 0.273 | 35% | 0.346 | S | S | . | . | S | Bend | trans | 48.8 | 43.7 | -175.6 | -71.4 | -16.4 | 0 | 0 | 0 | 113.1 | I28 S46 E47 H100 | I28-N49 HydrophobicContact CD1-CB 3.76Å; I28-N49 HydrophobicContact CG1-CB 4.25Å; S46-N49 PolarHBondContact O-N 3.48Å; S46-N49 PolarHBondContact OG-N 2.99Å; S46-N49 VanDerWaalsContact OG-N 3.15Å; E47-N49 VanDerWaalsContact C-N 3.33Å; N49-H100 PolarHBondContact O-ND1 3.22Å |
| 50 | A | 83.7 | Confident | 79.1 | Confident | 3 Ų | 3 | 60.2 Ų | 60.2 | 3% | 0.025 | 32% | 0.322 | C | S | . | . | trans | -147.1 | 132.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | S46 L48 L70 C99 | S46-A50 WeakPolarHBondContact CB-O 3.45Å; S46-A50 PolarHBondContact OG-N 3.14Å; S46-A50 PolarHBondContact OG-O 3.38Å; L48-A50 PolarHBondContact O-N 3.32Å; A50-L70 HydrophobicContact CB-CD1 3.61Å; A50-C99 WeakPolarHBondContact CA-O 3.43Å | ||
| 51 | C | 86.9 | Confident | 78 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 151.2 | 173.7 | -50.4 | 0 | 0 | 0 | 0 | 110.1 | C30 C98 C99 N105 | C30-C51 VanDerWaalsContact CA-SG 3.59Å; C30-C51 HydrophobicContact CB-CB 3.58Å; C30-C51 WeakPolarHBondContact CB-SG 3.29Å; C30-C51 WeakPolarHBondContact SG-CA 3.27Å; C30-C51 WeakPolarHBondContact SG-CB 3.32Å; C30-C51 CovalentContact SG-SG 2.02Å; C30-C51 PolarHBondContact SG-SG 3.46Å; C51-C98 VanDerWaalsContact O-CA 3.25Å; C51-C98 WeakPolarHBondContact O-CA 3.39Å; C51-C99 PolarHBondContact N-O 2.93Å; C51-C99 PolarHBondContact O-N 2.83Å; C51-N105 HydrophobicContact CB-CB 4.05Å |
| 52 | F | 86.6 | Confident | 76.8 | Confident | 39 Ų | 39 | 66.7 Ų | 66.7 | 17% | 0.171 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 154.4 | 173.6 | 77.9 | -94.4 | 0 | 0 | 0 | 112.6 | K54 T66 H67 G68 C69 L70 L96 E97 N105 | F52-K54 HydrophobicContact CD2-CB 4.28Å; F52-K54 HydrophobicContact CE2-CB 4.35Å; F52-T66 HydrophobicContact CE2-CG2 4.43Å; F52-H67 WeakPolarHBondContact O-CA 3.42Å; F52-G68 WeakPolarHBondContact CD1-O 2.97Å; F52-G68 PolarHBondContact N-O 2.9Å; F52-G68 PolarHBondContact O-N 3.22Å; F52-C69 WeakPolarHBondContact CE1-O 3.22Å; F52-L70 HydrophobicContact CB-CD1 4.38Å; F52-L70 HydrophobicContact CB-CG 4.37Å; F52-L70 HydrophobicContact CD1-CD2 4.34Å; F52-L70 HydrophobicContact CD1-CG 4.06Å; F52-L96 HydrophobicContact CB-CD1 4.09Å; F52-L96 HydrophobicContact CD2-CD1 3.82Å; F52-L96 HydrophobicContact CG-CD1 4.28Å; F52-E97 CarbonylContact C-O 3.54Å; F52-E97 WeakPolarHBondContact CA-O 3.39Å; F52-N105 PolarHBondContact O-ND2 3.39Å |
| 53 | T | 85 | Confident | 75.5 | Confident | 8 Ų | 8 | 61.8 Ų | 61.8 | 5% | 0.049 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 125.9 | 166.7 | -57.6 | 0 | 0 | 0 | 0 | 108.4 | L65 T66 H67 L96 E97 N105 | T53-L65 HydrophobicContact CG2-CB 4.36Å; T53-L65 HydrophobicContact CG2-CD2 3.7Å; T53-T66 CarbonylContact C-O 3.56Å; T53-T66 WeakPolarHBondContact CA-O 3.19Å; T53-H67 VanDerWaalsContact CG2-CE1 3.46Å; T53-H67 WeakPolarHBondContact CG2-CE1 3.31Å; T53-H67 PolarHBondContact OG1-ND1 2.91Å; T53-L96 WeakPolarHBondContact O-CA 3.34Å; T53-E97 PolarHBondContact N-O 3.29Å; T53-E97 PolarHBondContact O-N 3.34Å; T53-N105 WeakPolarHBondContact OG1-CB 3.33Å |
| 54 | K | 81.1 | Confident | 74.6 | Confident | 77 Ų | 77 | 62.4 Ų | 62.4 | 34% | 0.335 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 127.4 | -177.9 | -173.5 | 176.6 | 175.9 | 174.9 | 0 | 110.1 | F52 L65 T66 L96 | F52-K54 HydrophobicContact CD2-CB 4.28Å; F52-K54 HydrophobicContact CE2-CB 4.35Å; K54-L65 CarbonylContact O-C 3.53Å; K54-L65 WeakPolarHBondContact O-CA 3.35Å; K54-T66 PolarHBondContact N-O 3.47Å; K54-T66 PolarHBondContact O-N 3.37Å; K54-L96 HydrophobicContact CB-CD1 3.68Å; K54-L96 HydrophobicContact CD-CD1 4.43Å; K54-L96 HydrophobicContact CG-CD1 4.09Å |
| 55 | V | 78.9 | Confident | 74.1 | Confident | 32 Ų | 32 | 64.5 Ų | 64.5 | 19% | 0.194 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 126.2 | 170.8 | -175 | 0 | 0 | 0 | 0 | 108.8 | L65 L94 T95 | V55-L65 HydrophobicContact CG2-CD2 4.46Å; V55-L65 HydrophobicContact CG2-CG 4.38Å; V55-L94 WeakPolarHBondContact O-CD2 3.03Å; V55-T95 WeakPolarHBondContact CB-OG1 3.02Å; V55-T95 VanDerWaalsContact CG2-OG1 3.28Å; V55-T95 WeakPolarHBondContact CG2-OG1 3.33Å; V55-T95 PolarHBondContact N-O 2.8Å |
| 56 | L | 68.8 | Low | 73.9 | Confident | 88 Ų | 88 | 61.5 Ų | 61.5 | 46% | 0.461 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -78.4 | -30.5 | -175.6 | -95.3 | 61.6 | 0 | 0 | 0 | 113.8 | P64 T66 | L56-P64 HydrophobicContact CB-CG 4.23Å; L56-P64 HydrophobicContact CD2-CG 4.29Å; L56-P64 PolarHBondContact N-O 3.34Å; L56-T66 WeakPolarHBondContact CD1-OG1 3.38Å |
| 57 | D | 67.5 | Low | 74.3 | Confident | 65 Ų | 65 | 62.6 Ų | 62.6 | 35% | 0.348 | 35% | 0.353 | S | S | . | . | trans | -135.5 | 104.9 | -177.4 | 175.3 | 22.6 | 0 | 0 | 0 | 110.5 | L59 S60 S63 | D57-L59 PolarHBondContact O-N 2.94Å; D57-L59 PolarHBondContact OD1-N 3.29Å; D57-L59 VanDerWaalsContact OD1-N 3.08Å; D57-S60 WeakPolarHBondContact OD2-CB 3.4Å; D57-S60 PolarHBondContact OD2-OG 3.46Å; D57-S63 VanDerWaalsContact CA-OG 3.3Å; D57-S63 WeakPolarHBondContact CA-OG 3.42Å; D57-S63 VanDerWaalsContact CB-OG 3.27Å; D57-S63 WeakPolarHBondContact CB-OG 3.45Å; D57-S63 PolarHBondContact N-OG 3.47Å; D57-S63 WeakPolarHBondContact O-CB 3.34Å; D57-S63 PolarHBondContact O-OG 2.99Å; D57-S63 VanDerWaalsContact O-OG 3.09Å | ||
| 58 | P | 62.2 | Low | 74.7 | Confident | 58 Ų | 58 | 56.6 Ų | 56.6 | 38% | 0.377 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -8.6 | -178.4 | 29.4 | -33.9 | 0 | 0 | 0 | 114.1 | A93 | P58-A93 VanDerWaalsContact CB-O 3.31Å; P58-A93 WeakPolarHBondContact CB-O 3.31Å; P58-A93 WeakPolarHBondContact CG-O 3.39Å |
| 59 | L | 62.6 | Low | 75.3 | Confident | 162 Ų | 162 | 54.5 Ų | 54.5 | 85% | 0.848 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | -15.5 | -179.6 | -90.7 | 75.3 | 0 | 0 | 0 | 113.5 | D57 | D57-L59 PolarHBondContact O-N 2.94Å; D57-L59 PolarHBondContact OD1-N 3.29Å; D57-L59 VanDerWaalsContact OD1-N 3.08Å |
| 60 | S | 58.5 | Low | 75.2 | Confident | 47 Ų | 47 | 52.9 Ų | 52.9 | 33% | 0.329 | 31% | 0.308 | S | S | . | . | trans | -111.6 | 125.5 | -179.3 | 60.1 | 0 | 0 | 0 | 0 | 111.7 | D57 N62 S63 | D57-S60 WeakPolarHBondContact OD2-CB 3.4Å; D57-S60 PolarHBondContact OD2-OG 3.46Å; S60-N62 PolarHBondContact O-N 2.85Å; S60-N62 VanDerWaalsContact O-N 3.09Å; S60-S63 WeakPolarHBondContact O-CB 3.29Å; S60-S63 PolarHBondContact O-N 2.82Å; S60-S63 VanDerWaalsContact O-N 3.12Å; S60-S63 WeakPolarHBondContact OG-CB 3.3Å | ||
| 61 | A | 61.5 | Low | 74.6 | Confident | 109 Ų | 109 | 56.7 Ų | 56.7 | 90% | 0.901 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -15.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 62 | N | 62.3 | Low | 73.3 | Confident | 157 Ų | 157 | 60.3 Ų | 60.3 | 84% | 0.84 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.3 | 27.2 | 178.1 | -62.5 | -38 | 0 | 0 | 0 | 112.2 | S60 | S60-N62 PolarHBondContact O-N 2.85Å; S60-N62 VanDerWaalsContact O-N 3.09Å |
| 63 | S | 62.8 | Low | 71.8 | Confident | 6 Ų | 6 | 64.5 Ų | 64.5 | 4% | 0.042 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -59.3 | 139.2 | -179.4 | -175.7 | 0 | 0 | 0 | 0 | 111.7 | D57 S60 L65 | D57-S63 VanDerWaalsContact CA-OG 3.3Å; D57-S63 WeakPolarHBondContact CA-OG 3.42Å; D57-S63 VanDerWaalsContact CB-OG 3.27Å; D57-S63 WeakPolarHBondContact CB-OG 3.45Å; D57-S63 PolarHBondContact N-OG 3.47Å; D57-S63 WeakPolarHBondContact O-CB 3.34Å; D57-S63 PolarHBondContact O-OG 2.99Å; D57-S63 VanDerWaalsContact O-OG 3.09Å; S60-S63 WeakPolarHBondContact O-CB 3.29Å; S60-S63 PolarHBondContact O-N 2.82Å; S60-S63 VanDerWaalsContact O-N 3.12Å; S60-S63 WeakPolarHBondContact OG-CB 3.3Å; S63-L65 WeakPolarHBondContact O-CD1 3.42Å; S63-L65 PolarHBondContact O-N 3.36Å |
| 64 | P | 71.5 | Confident | 70.5 | Confident | 85 Ų | 85 | 68 Ų | 68 | 55% | 0.552 | 40% | 0.404 | S | S | * | . | P | Polyproline II helix | trans | -58.9 | 127.4 | 174.7 | 21.7 | -29.9 | 0 | 0 | 0 | 110.6 | L56 | L56-P64 HydrophobicContact CB-CG 4.23Å; L56-P64 HydrophobicContact CD2-CG 4.29Å; L56-P64 PolarHBondContact N-O 3.34Å |
| 65 | L | 76.9 | Confident | 69.1 | Low | 63 Ų | 63 | 66.6 Ų | 66.6 | 33% | 0.33 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 136.8 | 174.4 | -67.8 | 88.1 | 0 | 0 | 0 | 108.9 | T53 K54 V55 S63 | T53-L65 HydrophobicContact CG2-CB 4.36Å; T53-L65 HydrophobicContact CG2-CD2 3.7Å; K54-L65 CarbonylContact O-C 3.53Å; K54-L65 WeakPolarHBondContact O-CA 3.35Å; V55-L65 HydrophobicContact CG2-CD2 4.46Å; V55-L65 HydrophobicContact CG2-CG 4.38Å; S63-L65 WeakPolarHBondContact O-CD1 3.42Å; S63-L65 PolarHBondContact O-N 3.36Å |
| 66 | T | 83.6 | Confident | 67.9 | Low | 42 Ų | 42 | 65.3 Ų | 65.3 | 26% | 0.258 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 137.4 | 174.4 | -64.1 | 0 | 0 | 0 | 0 | 109.9 | D33 F52 T53 K54 L56 | D33-T66 WeakPolarHBondContact OD1-CG2 3.14Å; D33-T66 WeakPolarHBondContact OD2-CA 2.89Å; F52-T66 HydrophobicContact CE2-CG2 4.43Å; T53-T66 CarbonylContact C-O 3.56Å; T53-T66 WeakPolarHBondContact CA-O 3.19Å; K54-T66 PolarHBondContact N-O 3.47Å; K54-T66 PolarHBondContact O-N 3.37Å; L56-T66 WeakPolarHBondContact CD1-OG1 3.38Å |
| 67 | H | 87.5 | Confident | 67.2 | Low | 24 Ų | 24 | 64.7 Ų | 64.7 | 11% | 0.111 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 146.4 | -172.6 | -61.5 | -88.5 | 0 | 0 | 0 | 110.6 | Y31 C32 D33 F52 T53 N105 | Y31-H67 HydrophobicContact CD1-CB 3.74Å; Y31-H67 AromaticContact CD1-CG 3.85Å; Y31-H67 HydrophobicContact CE1-CB 4.32Å; Y31-H67 CarbonylContact O-C 3.54Å; C32-H67 WeakPolarHBondContact CA-O 3.22Å; D33-H67 PolarHBondContact N-O 3.3Å; D33-H67 PolarHBondContact OD1-N 2.87Å; F52-H67 WeakPolarHBondContact O-CA 3.42Å; T53-H67 VanDerWaalsContact CG2-CE1 3.46Å; T53-H67 WeakPolarHBondContact CG2-CE1 3.31Å; T53-H67 PolarHBondContact OG1-ND1 2.91Å; H67-N105 PolarHBondContact CE1-O 3.22Å; H67-N105 VanDerWaalsContact CE1-O 3.31Å; H67-N105 PolarHBondContact ND1-O 3.22Å |
| 68 | G | 87.6 | Confident | 66.7 | Low | 3 Ų | 3 | 68 Ų | 68 | 3% | 0.031 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 178 | -166.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y31 F52 | Y31-G68 WeakPolarHBondContact O-CA 3.32Å; Y31-G68 PolarHBondContact O-N 2.78Å; F52-G68 WeakPolarHBondContact CD1-O 2.97Å; F52-G68 PolarHBondContact N-O 2.9Å; F52-G68 PolarHBondContact O-N 3.22Å |
| 69 | C | 87.3 | Confident | 66.8 | Low | 26 Ų | 26 | 67.8 Ų | 67.8 | 18% | 0.176 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 145.4 | 177.6 | -65.7 | 0 | 0 | 0 | 0 | 110.2 | C30 C44 K45 F52 D71 | C30-C69 VanDerWaalsContact CB-SG 3.51Å; C30-C69 VanDerWaalsContact SG-SG 3.69Å; C44-C69 HydrophobicContact CB-CB 3.88Å; C44-C69 WeakPolarHBondContact CB-SG 2.99Å; C44-C69 PolarHBondContact O-SG 3.36Å; C44-C69 WeakPolarHBondContact SG-CB 3.2Å; C44-C69 PolarHBondContact SG-N 3.18Å; C44-C69 CovalentContact SG-SG 2.03Å; C44-C69 PolarHBondContact SG-SG 3.42Å; K45-C69 VanDerWaalsContact C-SG 3.57Å; F52-C69 WeakPolarHBondContact CE1-O 3.22Å; C69-D71 PolarHBondContact O-N 2.65Å |
| 70 | L | 76.4 | Confident | 67.1 | Low | 16 Ų | 16 | 61.2 Ų | 61.2 | 8% | 0.084 | 39% | 0.39 | C | S | . | . | P | Polyproline II helix | trans | -81.1 | 119.1 | 174.7 | -70 | 141.7 | 0 | 0 | 0 | 109.4 | L48 A50 F52 A76 C80 | L48-L70 HydrophobicContact CD1-CB 4.19Å; A50-L70 HydrophobicContact CB-CD1 3.61Å; F52-L70 HydrophobicContact CB-CD1 4.38Å; F52-L70 HydrophobicContact CB-CG 4.37Å; F52-L70 HydrophobicContact CD1-CD2 4.34Å; F52-L70 HydrophobicContact CD1-CG 4.06Å; L70-A76 HydrophobicContact CB-CB 3.95Å; L70-A76 HydrophobicContact CD2-CB 3.28Å; L70-A76 HydrophobicContact CG-CB 4.17Å; L70-C80 HydrophobicContact CD1-CB 4.33Å; L70-C80 WeakPolarHBondContact CD1-SG 3.35Å |
| 71 | D | 71.9 | Confident | 67.1 | Low | 83 Ų | 83 | 61.9 Ų | 61.9 | 44% | 0.444 | 41% | 0.405 | S | S | . | . | P | Polyproline II helix | trans | -82.6 | 131.4 | 173.4 | -168.7 | -33.8 | 0 | 0 | 0 | 109.4 | C69 V73 S74 | C69-D71 PolarHBondContact O-N 2.65Å; D71-V73 PolarHBondContact O-N 3.23Å; D71-V73 VanDerWaalsContact O-N 3.08Å; D71-V73 PolarHBondContact OD1-N 3.42Å; D71-S74 PolarHBondContact O-N 3.24Å |
| 72 | P | 59.1 | Low | 66.6 | Low | 77 Ų | 77 | 62.5 Ų | 62.5 | 50% | 0.5 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -23.7 | 176.1 | 21.6 | -35 | 0 | 0 | 0 | 114.6 | E47 S74 | E47-P72 HydrophobicContact CB-CG 4.35Å; P72-S74 VanDerWaalsContact C-N 3.29Å; P72-S74 PolarHBondContact O-N 3.22Å |
| 73 | V | 55.6 | Low | 66 | Low | 127 Ų | 127 | 59 Ų | 59 | 77% | 0.77 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -20.8 | 179 | -176.9 | 0 | 0 | 0 | 0 | 112.3 | D71 G75 | D71-V73 PolarHBondContact O-N 3.23Å; D71-V73 VanDerWaalsContact O-N 3.08Å; D71-V73 PolarHBondContact OD1-N 3.42Å; V73-G75 PolarHBondContact O-N 2.91Å |
| 74 | S | 56.1 | Low | 65.2 | Low | 80 Ų | 80 | 68.1 Ų | 68.1 | 56% | 0.559 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | 41.8 | -167.6 | -53.2 | 0 | 0 | 0 | 0 | 113.7 | D71 P72 A76 | D71-S74 PolarHBondContact O-N 3.24Å; P72-S74 VanDerWaalsContact C-N 3.29Å; P72-S74 PolarHBondContact O-N 3.22Å; S74-A76 WeakPolarHBondContact O-CA 3.37Å; S74-A76 WeakPolarHBondContact O-CB 3.21Å; S74-A76 PolarHBondContact O-N 2.84Å |
| 75 | G | 52.7 | Low | 64.1 | Low | 48 Ų | 48 | 74 Ų | 74 | 50% | 0.495 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51 | 19.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | V73 | V73-G75 PolarHBondContact O-N 2.91Š|
| 76 | A | 54.5 | Low | 62.7 | Low | 5 Ų | 5 | 73.3 Ų | 73.3 | 4% | 0.041 | 44% | 0.442 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -20.7 | -155.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L70 S74 D78 V79 C80 | L70-A76 HydrophobicContact CB-CB 3.95Å; L70-A76 HydrophobicContact CD2-CB 3.28Å; L70-A76 HydrophobicContact CG-CB 4.17Å; S74-A76 WeakPolarHBondContact O-CA 3.37Å; S74-A76 WeakPolarHBondContact O-CB 3.21Å; S74-A76 PolarHBondContact O-N 2.84Å; A76-D78 PolarHBondContact O-N 3.42Å; A76-V79 PolarHBondContact O-N 3.37Å; A76-V79 VanDerWaalsContact O-N 3.1Å; A76-C80 PolarHBondContact O-N 2.87Å |
| 77 | S | 52.8 | Low | 61 | Low | 76 Ų | 76 | 74.4 Ų | 74.4 | 53% | 0.531 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -57.3 | -33.8 | 172.9 | 54.2 | 0 | 0 | 0 | 0 | 111.9 | G81 | S77-G81 WeakPolarHBondContact O-CA 3.03Å; S77-G81 PolarHBondContact O-N 2.97Å |
| 78 | D | 57.5 | Low | 58.9 | Low | 134 Ų | 134 | 79 Ų | 79 | 72% | 0.717 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -80.8 | -23.9 | 179.2 | -67.7 | -15.2 | 0 | 0 | 0 | 112.3 | A76 | A76-D78 PolarHBondContact O-N 3.42Å |
| 79 | V | 64.6 | Low | 57 | Low | 53 Ų | 53 | 84.5 Ų | 84.5 | 32% | 0.321 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -80.6 | -35.7 | -176.7 | -163 | 0 | 0 | 0 | 0 | 111.6 | A76 A86 L96 | A76-V79 PolarHBondContact O-N 3.37Å; A76-V79 VanDerWaalsContact O-N 3.1Å; V79-A86 HydrophobicContact CG1-CB 4.04Å; V79-L96 HydrophobicContact CB-CD2 4.21Å; V79-L96 HydrophobicContact CG1-CD2 3.29Å |
| 80 | C | 69.1 | Low | 55 | Low | 25 Ų | 25 | 91 Ų | 91 | 17% | 0.169 | 55% | 0.551 | C | S | . | * | H | α-helix | trans | -100.4 | -12.8 | 176.2 | -60.4 | 0 | 0 | 0 | 0 | 114 | L70 A76 N82 C98 | L70-C80 HydrophobicContact CD1-CB 4.33Å; L70-C80 WeakPolarHBondContact CD1-SG 3.35Å; A76-C80 PolarHBondContact O-N 2.87Å; C80-N82 VanDerWaalsContact C-N 3.3Å; C80-N82 PolarHBondContact O-N 3.42Å; C80-C98 HydrophobicContact CB-CB 3.54Å; C80-C98 WeakPolarHBondContact CB-SG 3.25Å; C80-C98 WeakPolarHBondContact SG-CB 3.36Å; C80-C98 CovalentContact SG-SG 2.02Å; C80-C98 PolarHBondContact SG-SG 3.39Å |
| 81 | G | 58.4 | Low | 53.3 | Low | 61 Ų | 61 | 94.5 Ų | 94.5 | 63% | 0.629 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | -16.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | S77 | S77-G81 WeakPolarHBondContact O-CA 3.03Å; S77-G81 PolarHBondContact O-N 2.97Å |
| 82 | N | 50.9 | Low | 52 | Low | 121 Ų | 121 | 92.2 Ų | 92.2 | 65% | 0.647 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.1 | 11.7 | -168.2 | -120.6 | 32.8 | 0 | 0 | 0 | 116.2 | C80 R84 | C80-N82 VanDerWaalsContact C-N 3.3Å; C80-N82 PolarHBondContact O-N 3.42Å; N82-R84 VanDerWaalsContact O-CG 3.3Å; N82-R84 WeakPolarHBondContact O-CG 3.04Å; N82-R84 PolarHBondContact O-N 3.42Å |
| 83 | G | 49.7 | Very low | 51.5 | Low | 85 Ų | 85 | 91.2 Ų | 91.2 | 88% | 0.876 | 59% | 0.586 | S | S | * | * | trans | 52.3 | 19.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 84 | R | 45.9 | Very low | 51.6 | Low | 196 Ų | 196 | 87.5 Ų | 87.5 | 74% | 0.74 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -118.7 | 126.7 | -175 | -78.4 | 176.5 | -178.1 | -146.4 | 0.2 | 106.4 | N82 A86 | N82-R84 VanDerWaalsContact O-CG 3.3Å; N82-R84 WeakPolarHBondContact O-CG 3.04Å; N82-R84 PolarHBondContact O-N 3.42Å; R84-A86 PolarHBondContact O-N 2.96Å |
| 85 | R | 49.1 | Very low | 52.3 | Low | 209 Ų | 209 | 86.2 Ų | 86.2 | 79% | 0.789 | 55% | 0.55 | S | S | * | . | trans | -39.3 | 105.4 | 158.8 | -63.9 | 175.3 | 179.9 | 161.2 | -1.2 | 107 | A87 | R85-A87 PolarHBondContact O-N 3.4Š| ||
| 86 | A | 47.6 | Very low | 53.4 | Low | 48 Ų | 48 | 85.8 Ų | 85.8 | 40% | 0.397 | 54% | 0.536 | S | S | . | . | trans | -72.2 | 86.5 | 176 | 0 | 0 | 0 | 0 | 0 | 106.4 | V79 R84 D88 | V79-A86 HydrophobicContact CG1-CB 4.04Å; R84-A86 PolarHBondContact O-N 2.96Å; A86-D88 PolarHBondContact O-N 3.47Å | ||
| 87 | A | 47.2 | Very low | 54.7 | Low | 66 Ų | 66 | 90.8 Ų | 90.8 | 55% | 0.545 | 56% | 0.559 | S | S | . | * | trans | -72.6 | 105 | 169 | 0 | 0 | 0 | 0 | 0 | 106.7 | R85 S89 | R85-A87 PolarHBondContact O-N 3.4Å; A87-S89 PolarHBondContact O-N 3.39Å | ||
| 88 | D | 43.3 | Very low | 56.1 | Low | 119 Ų | 119 | 89.1 Ų | 89.1 | 64% | 0.636 | 55% | 0.546 | S | S | * | . | trans | -57.4 | 127.4 | 168.3 | -122.8 | -24.4 | 0 | 0 | 0 | 108.1 | A86 L90 | A86-D88 PolarHBondContact O-N 3.47Å; D88-L90 PolarHBondContact O-N 2.98Å | ||
| 89 | S | 46.7 | Very low | 57.4 | Low | 120 Ų | 120 | 84.3 Ų | 84.3 | 84% | 0.839 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | 11.6 | -175.4 | -66.5 | 0 | 0 | 0 | 0 | 113.7 | A87 | A87-S89 PolarHBondContact O-N 3.39Š|
| 90 | L | 46.4 | Very low | 58.4 | Low | 161 Ų | 161 | 86.9 Ų | 86.9 | 84% | 0.843 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -134.6 | 91.5 | 170.1 | -85.1 | 96.7 | 0 | 0 | 0 | 110.3 | D88 | D88-L90 PolarHBondContact O-N 2.98Š|
| 91 | G | 41.2 | Very low | 59.1 | Low | 90 Ų | 90 | 91.2 Ų | 91.2 | 93% | 0.928 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 91.4 | 19 | 142.3 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||
| 92 | G | 44.1 | Very low | 60.4 | Low | 36 Ų | 36 | 92.3 Ų | 92.3 | 37% | 0.371 | 54% | 0.544 | S | S | . | . | trans | 171.1 | 117.6 | 166.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L94 | G92-L94 VanDerWaalsContact C-N 3.27Å; G92-L94 PolarHBondContact O-N 3.2Å | ||
| 93 | A | 48.9 | Very low | 62 | Low | 55 Ų | 55 | 90.8 Ų | 90.8 | 46% | 0.455 | 54% | 0.535 | S | S | . | . | trans | -69.4 | 83 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | P58 T95 | P58-A93 VanDerWaalsContact CB-O 3.31Å; P58-A93 WeakPolarHBondContact CB-O 3.31Å; P58-A93 WeakPolarHBondContact CG-O 3.39Å; A93-T95 PolarHBondContact O-N 3.37Å; A93-T95 VanDerWaalsContact O-N 3.09Å | ||
| 94 | L | 57.8 | Low | 63.7 | Low | 50 Ų | 50 | 89 Ų | 89 | 26% | 0.262 | 51% | 0.508 | S | S | . | . | trans | -67.4 | 105.7 | 169.9 | -71.5 | 162 | 0 | 0 | 0 | 108 | V55 G92 L96 | V55-L94 WeakPolarHBondContact O-CD2 3.03Å; G92-L94 VanDerWaalsContact C-N 3.27Å; G92-L94 PolarHBondContact O-N 3.2Å; L94-L96 PolarHBondContact O-N 3.38Å; L94-L96 VanDerWaalsContact O-N 3.15Å | ||
| 95 | T | 69.4 | Low | 65.6 | Low | 52 Ų | 52 | 79.8 Ų | 79.8 | 32% | 0.319 | 47% | 0.473 | S | S | . | . | trans | -76.8 | 102.1 | 174.6 | 51.5 | 0 | 0 | 0 | 0 | 108.7 | V55 A93 | V55-T95 WeakPolarHBondContact CB-OG1 3.02Å; V55-T95 VanDerWaalsContact CG2-OG1 3.28Å; V55-T95 WeakPolarHBondContact CG2-OG1 3.33Å; V55-T95 PolarHBondContact N-O 2.8Å; A93-T95 PolarHBondContact O-N 3.37Å; A93-T95 VanDerWaalsContact O-N 3.09Å | ||
| 96 | L | 76.5 | Confident | 67.4 | Low | 40 Ų | 40 | 76.6 Ų | 76.6 | 21% | 0.209 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 130 | 168 | -165.9 | 79 | 0 | 0 | 0 | 109.8 | F52 T53 K54 V79 L94 | F52-L96 HydrophobicContact CB-CD1 4.09Å; F52-L96 HydrophobicContact CD2-CD1 3.82Å; F52-L96 HydrophobicContact CG-CD1 4.28Å; T53-L96 WeakPolarHBondContact O-CA 3.34Å; K54-L96 HydrophobicContact CB-CD1 3.68Å; K54-L96 HydrophobicContact CD-CD1 4.43Å; K54-L96 HydrophobicContact CG-CD1 4.09Å; V79-L96 HydrophobicContact CB-CD2 4.21Å; V79-L96 HydrophobicContact CG1-CD2 3.29Å; L94-L96 PolarHBondContact O-N 3.38Å; L94-L96 VanDerWaalsContact O-N 3.15Å |
| 97 | E | 81 | Confident | 68.6 | Low | 110 Ų | 110 | 80 Ų | 80 | 51% | 0.514 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 133 | 175 | -175.5 | 175.8 | -170.8 | 0 | 0 | 109 | F52 T53 R107 | F52-E97 CarbonylContact C-O 3.54Å; F52-E97 WeakPolarHBondContact CA-O 3.39Å; T53-E97 PolarHBondContact N-O 3.29Å; T53-E97 PolarHBondContact O-N 3.34Å; E97-R107 IonicContact OE2-NH2 2.67Å; E97-R107 PolarHBondContact OE2-NH2 2.95Å; E97-R107 VanDerWaalsContact OE2-NH2 3.09Å |
| 98 | C | 84 | Confident | 69.5 | Low | 40 Ų | 40 | 77.9 Ų | 77.9 | 27% | 0.27 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 146 | -179.5 | -43.8 | 0 | 0 | 0 | 0 | 111.4 | C51 C80 | C51-C98 VanDerWaalsContact O-CA 3.25Å; C51-C98 WeakPolarHBondContact O-CA 3.39Å; C80-C98 HydrophobicContact CB-CB 3.54Å; C80-C98 WeakPolarHBondContact CB-SG 3.25Å; C80-C98 WeakPolarHBondContact SG-CB 3.36Å; C80-C98 CovalentContact SG-SG 2.02Å; C80-C98 PolarHBondContact SG-SG 3.39Å |
| 99 | C | 82.9 | Confident | 69.9 | Low | 33 Ų | 33 | 79.3 Ų | 79.3 | 22% | 0.223 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 158.8 | 178 | 56.4 | 0 | 0 | 0 | 0 | 111.5 | A50 C51 C104 | A50-C99 WeakPolarHBondContact CA-O 3.43Å; C51-C99 PolarHBondContact N-O 2.93Å; C51-C99 PolarHBondContact O-N 2.83Å; C99-C104 VanDerWaalsContact C-SG 3.57Å; C99-C104 HydrophobicContact CB-CB 3.8Å; C99-C104 WeakPolarHBondContact CB-SG 3.45Å; C99-C104 WeakPolarHBondContact SG-CB 3.47Å; C99-C104 CovalentContact SG-SG 2.02Å; C99-C104 PolarHBondContact SG-SG 3.11Å |
| 100 | H | 85.7 | Confident | 70.2 | Confident | 107 Ų | 107 | 80.7 Ų | 80.7 | 50% | 0.495 | 45% | 0.449 | S | S | . | . | trans | -123.3 | 22.9 | -168.2 | -66.5 | -75.3 | 0 | 0 | 0 | 113.7 | I28 N49 | I28-H100 WeakPolarHBondContact CD1-O 3.18Å; N49-H100 PolarHBondContact O-ND1 3.22Å | ||
| 101 | D | 83.6 | Confident | 70.5 | Confident | 117 Ų | 117 | 76.1 Ų | 76.1 | 63% | 0.626 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -112.7 | 155.3 | 176 | -59.7 | -54.7 | 0 | 0 | 0 | 110.5 | M103 C104 | D101-M103 PolarHBondContact O-N 3.32Å; D101-C104 HydrophobicContact CB-CB 3.99Å; D101-C104 WeakPolarHBondContact O-CB 3.39Å; D101-C104 PolarHBondContact O-N 2.83Å; D101-C104 PolarHBondContact O-SG 2.67Å |
| 102 | D | 85.7 | Confident | 70.9 | Confident | 84 Ų | 84 | 78.5 Ų | 78.5 | 45% | 0.449 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | 125.7 | 178.4 | -166.6 | 64 | 0 | 0 | 0 | 110.9 | R29 C104 | R29-D102 PolarHBondContact N-OD1 3.27Å; D102-C104 PolarHBondContact O-N 2.03Å; D102-C104 VanDerWaalsContact O-N 3.09Å |
| 103 | M | 85.4 | Confident | 71.2 | Confident | 89 Ų | 89 | 80.2 Ų | 80.2 | 44% | 0.438 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.1 | 25.9 | -178.3 | -57.9 | -177.6 | -74.1 | 0 | 0 | 115 | R29 M43 D101 N105 Y106 | R29-M103 WeakPolarHBondContact O-CA 3.39Å; R29-M103 PolarHBondContact O-N 2.86Å; M43-M103 HydrophobicContact CE-SD 4.1Å; D101-M103 PolarHBondContact O-N 3.32Å; M103-N105 PolarHBondContact O-N 3.49Å; M103-N105 VanDerWaalsContact O-N 3.15Å; M103-Y106 VanDerWaalsContact O-CB 3.31Å; M103-Y106 WeakPolarHBondContact O-CB 3.22Å; M103-Y106 PolarHBondContact O-N 2.85Å |
| 104 | C | 84.8 | Confident | 71.1 | Confident | 46 Ų | 46 | 84.6 Ų | 84.6 | 31% | 0.311 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -25.5 | -177.2 | 59.1 | 0 | 0 | 0 | 0 | 114.8 | C99 D101 D102 Y106 | C99-C104 VanDerWaalsContact C-SG 3.57Å; C99-C104 HydrophobicContact CB-CB 3.8Å; C99-C104 WeakPolarHBondContact CB-SG 3.45Å; C99-C104 WeakPolarHBondContact SG-CB 3.47Å; C99-C104 CovalentContact SG-SG 2.02Å; C99-C104 PolarHBondContact SG-SG 3.11Å; D101-C104 HydrophobicContact CB-CB 3.99Å; D101-C104 WeakPolarHBondContact O-CB 3.39Å; D101-C104 PolarHBondContact O-N 2.83Å; D101-C104 PolarHBondContact O-SG 2.67Å; D102-C104 PolarHBondContact O-N 2.03Å; D102-C104 VanDerWaalsContact O-N 3.09Å; C104-Y106 VanDerWaalsContact C-N 3.29Å |
| 105 | N | 87 | Confident | 70.6 | Confident | 4 Ų | 4 | 86.7 Ų | 86.7 | 2% | 0.021 | 45% | 0.453 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -1.7 | 178.5 | 67.5 | -24.9 | 0 | 0 | 0 | 113.5 | Y31 C51 F52 T53 H67 M103 R107 | Y31-N105 WeakPolarHBondContact CB-OD1 3.41Å; Y31-N105 PolarHBondContact N-OD1 3.11Å; Y31-N105 PolarHBondContact O-ND2 2.81Å; C51-N105 HydrophobicContact CB-CB 4.05Å; F52-N105 PolarHBondContact O-ND2 3.39Å; T53-N105 WeakPolarHBondContact OG1-CB 3.33Å; H67-N105 PolarHBondContact CE1-O 3.22Å; H67-N105 VanDerWaalsContact CE1-O 3.31Å; H67-N105 PolarHBondContact ND1-O 3.22Å; M103-N105 PolarHBondContact O-N 3.49Å; M103-N105 VanDerWaalsContact O-N 3.15Å; N105-R107 PolarHBondContact O-N 3.13Å |
| 106 | Y | 86.4 | Confident | 69.4 | Low | 142 Ų | 142 | 95.1 Ų | 95.1 | 56% | 0.557 | 48% | 0.479 | S | S | * | . | trans | -79.6 | 101.2 | 174.7 | -174.7 | -106.8 | 0 | 0 | 0 | 110.4 | Y31 M103 C104 G108 | Y31-Y106 HydrophobicContact CD1-CD2 4.38Å; Y31-Y106 AromaticContact CD2-CD2 3.74Å; Y31-Y106 HydrophobicContact CD2-CD2 3.74Å; Y31-Y106 HydrophobicContact CD2-CE2 4.24Å; Y31-Y106 HydrophobicContact CE2-CD2 4.12Å; Y31-Y106 HydrophobicContact CE2-CE2 4.21Å; Y31-Y106 AromaticContact CG-CD2 3.88Å; Y31-Y106 HydrophobicContact CG-CD2 3.88Å; M103-Y106 VanDerWaalsContact O-CB 3.31Å; M103-Y106 WeakPolarHBondContact O-CB 3.22Å; M103-Y106 PolarHBondContact O-N 2.85Å; C104-Y106 VanDerWaalsContact C-N 3.29Å; Y106-G108 PolarHBondContact O-N 2.03Å | ||
| 107 | R | 73.3 | Confident | 68 | Low | 119 Ų | 119 | 100.7 Ų | 100.7 | 45% | 0.449 | 51% | 0.509 | S | S | . | . | trans | -78.4 | 86.1 | 172.5 | -66.4 | -145.4 | 171.9 | 118.3 | 5.3 | 110.3 | E97 N105 D111 | E97-R107 IonicContact OE2-NH2 2.67Å; E97-R107 PolarHBondContact OE2-NH2 2.95Å; E97-R107 VanDerWaalsContact OE2-NH2 3.09Å; N105-R107 PolarHBondContact O-N 3.13Å; R107-D111 VanDerWaalsContact CD-CG 3.49Å; R107-D111 WeakPolarHBondContact CD-OD2 3.46Å; R107-D111 IonicContact NE-OD2 3.49Å | ||
| 108 | G | 65.5 | Low | 66.3 | Low | 21 Ų | 21 | 100.4 Ų | 100.4 | 22% | 0.216 | 52% | 0.519 | C | S | . | . | trans | -71.5 | -170.6 | 164.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y106 Q110 D111 | Y106-G108 PolarHBondContact O-N 2.03Å; G108-Q110 PolarHBondContact O-N 2.92Å; G108-D111 PolarHBondContact O-N 3.18Å | ||
| 109 | L | 50.7 | Low | 64.6 | Low | 150 Ų | 150 | 104.7 Ų | 104.7 | 79% | 0.785 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -11.6 | -178.2 | -156.3 | 72.1 | 0 | 0 | 0 | 115 | D111 L112 | L109-D111 VanDerWaalsContact C-N 3.3Å; L109-D111 PolarHBondContact O-N 2.87Å; L109-L112 HydrophobicContact CD1-CD1 4.15Å |
| 110 | Q | 53.6 | Low | 62.5 | Low | 148 Ų | 148 | 111.6 Ų | 111.6 | 69% | 0.692 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.5 | -26.2 | 175.2 | -93.3 | 80.2 | 26.1 | 0 | 0 | 114.8 | G108 L112 A113 | G108-Q110 PolarHBondContact O-N 2.92Å; Q110-L112 VanDerWaalsContact C-N 3.28Å; Q110-L112 PolarHBondContact O-N 2.8Å; Q110-A113 PolarHBondContact O-N 2.87Å; Q110-A113 VanDerWaalsContact O-N 3.13Å |
| 111 | D | 52.4 | Low | 60.7 | Low | 65 Ų | 65 | 112 Ų | 112 | 35% | 0.348 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -68.8 | -28.2 | -175.9 | -150.8 | 22.3 | 0 | 0 | 0 | 112.3 | R107 G108 L109 A113 H114 T115 | R107-D111 VanDerWaalsContact CD-CG 3.49Å; R107-D111 WeakPolarHBondContact CD-OD2 3.46Å; R107-D111 IonicContact NE-OD2 3.49Å; G108-D111 PolarHBondContact O-N 3.18Å; L109-D111 VanDerWaalsContact C-N 3.3Å; L109-D111 PolarHBondContact O-N 2.87Å; D111-A113 PolarHBondContact O-N 3.23Å; D111-H114 PolarHBondContact O-N 2.82Å; D111-T115 PolarHBondContact O-N 2.77Å; D111-T115 PolarHBondContact O-OG1 3Å |
| 112 | L | 50.7 | Low | 59 | Low | 140 Ų | 140 | 116.8 Ų | 116.8 | 73% | 0.733 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -67.7 | -18 | 174.9 | -67.7 | 172.3 | 0 | 0 | 0 | 113.7 | L109 Q110 | L109-L112 HydrophobicContact CD1-CD1 4.15Å; Q110-L112 VanDerWaalsContact C-N 3.28Å; Q110-L112 PolarHBondContact O-N 2.8Å |
| 113 | A | 49.4 | Very low | 56.5 | Low | 73 Ų | 73 | 123.4 Ų | 123.4 | 60% | 0.603 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -86.3 | -25.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q110 D111 | Q110-A113 PolarHBondContact O-N 2.87Å; Q110-A113 VanDerWaalsContact O-N 3.13Å; D111-A113 PolarHBondContact O-N 3.23Å |
| 114 | H | 47.9 | Very low | 54.9 | Low | 147 Ų | 147 | 125.2 Ų | 125.2 | 68% | 0.681 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -107.8 | -18.1 | -174.6 | -72.2 | -39.5 | 0 | 0 | 0 | 114.8 | D111 R116 | D111-H114 PolarHBondContact O-N 2.82Å; H114-R116 PolarHBondContact O-N 3.29Å; H114-R116 VanDerWaalsContact O-N 3.15Å |
| 115 | T | 45.9 | Very low | 52.8 | Low | 93 Ų | 93 | 127.3 Ų | 127.3 | 57% | 0.571 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | -1.5 | 173.2 | -41 | 0 | 0 | 0 | 0 | 113.8 | D111 | D111-T115 PolarHBondContact O-N 2.77Å; D111-T115 PolarHBondContact O-OG1 3Å |
| 116 | R | 45.7 | Very low | 50.9 | Low | 230 Ų | 230 | 134.5 Ų | 134.5 | 87% | 0.868 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | 0.4 | -178.9 | -145.7 | 175.7 | 164.2 | 169.2 | -3.6 | 114.6 | H114 | H114-R116 PolarHBondContact O-N 3.29Å; H114-R116 VanDerWaalsContact O-N 3.15Å |
| 117 | D | 46.7 | Very low | 49.3 | Very low | 156 Ų | 156 | 130.5 Ų | 130.5 | 83% | 0.834 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -115.1 | 13.1 | -173.3 | -150.9 | 26 | 0 | 0 | 0 | 114.7 | ||
| 118 | S | 45.6 | Very low | 48.1 | Very low | 104 Ų | 104 | 130 Ų | 130 | 73% | 0.727 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -116.5 | 4.3 | -174.7 | -41.4 | 0 | 0 | 0 | 0 | 116 | ||
| 119 | T | 47.4 | Very low | 47.4 | Very low | 130 Ų | 130 | 138.1 Ų | 138.1 | 80% | 0.798 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -131 | 118.1 | 174.7 | 17.3 | 0 | 0 | 0 | 0 | 111.2 | ||
| 120 | E | 39.4 | Very low | 47.4 | Very low | 179 Ų | 179 | 136.8 Ų | 136.8 | 84% | 0.836 | 72% | 0.721 | S | S | * | * | trans | 97.6 | 88.5 | 154.4 | -135.4 | 178.8 | 156.8 | 0 | 0 | 117.9 | R122 | E120-R122 PolarHBondContact O-N 3.31Å; E120-R122 VanDerWaalsContact O-N 3.14Å | ||
| 121 | S | 46.7 | Very low | 47.5 | Very low | 116 Ų | 116 | 135.1 Ų | 135.1 | 81% | 0.811 | 72% | 0.717 | S | S | * | * | trans | -57.1 | 103.1 | 144.5 | -82.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 122 | R | 47.8 | Very low | 47.6 | Very low | 217 Ų | 217 | 136.7 Ų | 136.7 | 82% | 0.819 | 73% | 0.728 | S | S | * | * | trans | 179.8 | 141.4 | 130.9 | -103.6 | 175.1 | -102.6 | -160.7 | -4.2 | 111.1 | E120 | E120-R122 PolarHBondContact O-N 3.31Å; E120-R122 VanDerWaalsContact O-N 3.14Å | ||
| 123 | Y | 34.7 | Very low | 47.8 | Very low | 223 Ų | 223 | 134 Ų | 134 | 88% | 0.875 | 72% | 0.718 | S | S | * | * | trans | 104.4 | 125.5 | 175.9 | -68.8 | -79.6 | 0 | 0 | 0 | 116.8 | ||||
| 124 | P | 50.9 | Low | 47.9 | Very low | 126 Ų | 126 | 138.5 Ų | 138.5 | 82% | 0.818 | 72% | 0.719 | S | S | * | * | trans | -85.4 | 121 | 175.7 | 34 | -27.5 | 0 | 0 | 0 | 109.1 | ||||
| 125 | A | 40.3 | Very low | 48.2 | Very low | 91 Ų | 91 | 136 Ų | 136 | 75% | 0.752 | 71% | 0.714 | S | S | * | * | trans | -127.6 | 90.6 | 165.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | G127 | A125-G127 PolarHBondContact O-N 2.9Å; A125-G127 VanDerWaalsContact O-N 3.16Å | ||
| 126 | D | 48.1 | Very low | 48.4 | Very low | 154 Ų | 154 | 137.6 Ų | 137.6 | 82% | 0.824 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.1 | 108.2 | 164.1 | -124.5 | -16.9 | 0 | 0 | 0 | 107.9 | ||
| 127 | G | 52.5 | Low | 48.7 | Very low | 59 Ų | 59 | 132.5 Ų | 132.5 | 61% | 0.608 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 169.4 | -29.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | A125 | A125-G127 PolarHBondContact O-N 2.9Å; A125-G127 VanDerWaalsContact O-N 3.16Å |
| 128 | N | 48.8 | Very low | 49.1 | Very low | 108 Ų | 108 | 131.1 Ų | 131.1 | 58% | 0.578 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -103.6 | 0.3 | -171.6 | -153.9 | 35 | 0 | 0 | 0 | 115.5 | N130 | N128-N130 PolarHBondContact O-N 3.29Š|
| 129 | R | 50.3 | Low | 49.7 | Very low | 192 Ų | 192 | 129 Ų | 129 | 73% | 0.725 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -68.9 | -21.2 | -178.2 | -62.5 | 179.1 | 165 | -178.9 | -6.4 | 113.3 | T133 | R129-T133 PolarHBondContact O-OG1 2.84Å |
| 130 | N | 51.8 | Low | 49.9 | Very low | 122 Ų | 122 | 125.6 Ų | 125.6 | 65% | 0.652 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -85.3 | -19.5 | -174.7 | -57.8 | -17.5 | 0 | 0 | 0 | 113.2 | N128 R134 | N128-N130 PolarHBondContact O-N 3.29Å; N130-R134 WeakPolarHBondContact O-CG 3.22Å |
| 131 | L | 54.9 | Low | 50.7 | Low | 113 Ų | 113 | 118.7 Ų | 118.7 | 59% | 0.592 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -88.7 | -38.5 | 179.9 | -162.7 | 72.6 | 0 | 0 | 0 | 111.3 | R134 V135 | L131-R134 PolarHBondContact O-N 2.94Å; L131-V135 WeakPolarHBondContact O-CG2 3.46Å; L131-V135 PolarHBondContact O-N 2.87Å |
| 132 | V | 53.7 | Low | 51.2 | Low | 97 Ų | 97 | 120.9 Ų | 120.9 | 59% | 0.588 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -67.4 | -39.6 | 177.9 | 175.4 | 0 | 0 | 0 | 0 | 111.6 | R134 V135 Q136 | V132-R134 VanDerWaalsContact C-N 3.31Å; V132-R134 PolarHBondContact O-N 3.46Å; V132-V135 PolarHBondContact O-N 3.33Å; V132-Q136 VanDerWaalsContact O-CB 3.25Å; V132-Q136 WeakPolarHBondContact O-CB 3.31Å; V132-Q136 PolarHBondContact O-N 3.46Å |
| 133 | T | 55 | Low | 51.9 | Low | 84 Ų | 84 | 115.7 Ų | 115.7 | 52% | 0.515 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -62.9 | -36.8 | 172.7 | 22.9 | 0 | 0 | 0 | 0 | 112.1 | R129 E137 | R129-T133 PolarHBondContact O-OG1 2.84Å; T133-E137 VanDerWaalsContact O-CB 3.28Å; T133-E137 WeakPolarHBondContact O-CB 3.35Å; T133-E137 PolarHBondContact O-N 3.34Å |
| 134 | R | 51.5 | Low | 53.2 | Low | 167 Ų | 167 | 109.4 Ų | 109.4 | 63% | 0.63 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -71.7 | -39.1 | 178.7 | -69 | -72.4 | -175.5 | 110.1 | 1.8 | 112.8 | N130 L131 V132 E137 L138 | N130-R134 WeakPolarHBondContact O-CG 3.22Å; L131-R134 PolarHBondContact O-N 2.94Å; V132-R134 VanDerWaalsContact C-N 3.31Å; V132-R134 PolarHBondContact O-N 3.46Å; R134-E137 PolarHBondContact O-N 2.86Å; R134-L138 WeakPolarHBondContact O-CD1 3.38Å; R134-L138 PolarHBondContact O-N 3.43Å |
| 135 | V | 55.3 | Low | 54.1 | Low | 95 Ų | 95 | 112.4 Ų | 112.4 | 58% | 0.576 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -72.3 | -38.5 | 177 | 178 | 0 | 0 | 0 | 0 | 111.1 | L131 V132 L138 A139 | L131-V135 WeakPolarHBondContact O-CG2 3.46Å; L131-V135 PolarHBondContact O-N 2.87Å; V132-V135 PolarHBondContact O-N 3.33Å; V135-L138 PolarHBondContact O-N 3.28Å; V135-A139 PolarHBondContact O-N 2.84Å |
| 136 | Q | 49.8 | Very low | 55.3 | Low | 127 Ų | 127 | 115 Ų | 115 | 59% | 0.593 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -65.6 | -37.2 | 172 | -169.3 | 66 | 45.3 | 0 | 0 | 111.6 | V132 S140 | V132-Q136 VanDerWaalsContact O-CB 3.25Å; V132-Q136 WeakPolarHBondContact O-CB 3.31Å; V132-Q136 PolarHBondContact O-N 3.46Å; Q136-S140 WeakPolarHBondContact O-CB 3.32Å; Q136-S140 PolarHBondContact O-N 2.96Å |
| 137 | E | 52.8 | Low | 56.3 | Low | 122 Ų | 122 | 115.2 Ų | 115.2 | 57% | 0.57 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -63.1 | -41.5 | 170 | -101.2 | -170.6 | 127.6 | 0 | 0 | 111.8 | T133 R134 A141 | T133-E137 VanDerWaalsContact O-CB 3.28Å; T133-E137 WeakPolarHBondContact O-CB 3.35Å; T133-E137 PolarHBondContact O-N 3.34Å; R134-E137 PolarHBondContact O-N 2.86Å; E137-A141 WeakPolarHBondContact O-CA 3.47Å; E137-A141 WeakPolarHBondContact O-CB 3.4Å; E137-A141 PolarHBondContact O-N 3.41Å |
| 138 | L | 53.7 | Low | 57.4 | Low | 127 Ų | 127 | 114.9 Ų | 114.9 | 67% | 0.665 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -67.3 | -40 | 178.1 | -96.2 | 84 | 0 | 0 | 0 | 112.4 | R134 V135 K142 | R134-L138 WeakPolarHBondContact O-CD1 3.38Å; R134-L138 PolarHBondContact O-N 3.43Å; V135-L138 PolarHBondContact O-N 3.28Å; L138-K142 WeakPolarHBondContact O-CB 3.42Å; L138-K142 PolarHBondContact O-N 3.27Å |
| 139 | A | 57.5 | Low | 58.9 | Low | 59 Ų | 59 | 111.8 Ų | 111.8 | 49% | 0.488 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -69.3 | -44.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | V135 K142 E143 | V135-A139 PolarHBondContact O-N 2.84Å; A139-K142 PolarHBondContact O-N 2.81Å; A139-E143 PolarHBondContact O-N 3.25Å |
| 140 | S | 53 | Low | 60.3 | Low | 60 Ų | 60 | 106.8 Ų | 106.8 | 42% | 0.42 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -65.8 | -40.2 | 175.5 | -176.7 | 0 | 0 | 0 | 0 | 111.9 | Q136 K142 E143 V144 | Q136-S140 WeakPolarHBondContact O-CB 3.32Å; Q136-S140 PolarHBondContact O-N 2.96Å; S140-K142 VanDerWaalsContact C-N 3.34Å; S140-E143 PolarHBondContact O-N 3.28Å; S140-V144 WeakPolarHBondContact O-CG2 3.28Å; S140-V144 PolarHBondContact O-N 3.38Å |
| 141 | A | 56.5 | Low | 61.5 | Low | 34 Ų | 34 | 106.2 Ų | 106.2 | 28% | 0.281 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.2 | -45.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | E137 E143 V144 W145 | E137-A141 WeakPolarHBondContact O-CA 3.47Å; E137-A141 WeakPolarHBondContact O-CB 3.4Å; E137-A141 PolarHBondContact O-N 3.41Å; A141-E143 VanDerWaalsContact C-N 3.26Å; A141-E143 PolarHBondContact O-N 3Å; A141-V144 CarbonylContact O-C 3.53Å; A141-V144 WeakPolarHBondContact O-CA 3.38Å; A141-V144 PolarHBondContact O-N 3.38Å; A141-W145 PolarHBondContact O-N 2.89Å; A141-W145 PolarHBondContact O-NE1 3.39Å |
| 142 | K | 57.5 | Low | 62.5 | Low | 162 Ų | 162 | 103.4 Ų | 103.4 | 70% | 0.704 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -56.5 | -37.6 | 178.2 | -171.3 | 168.7 | 178.1 | 160.4 | 0 | 112.9 | L138 A139 S140 F146 | L138-K142 WeakPolarHBondContact O-CB 3.42Å; L138-K142 PolarHBondContact O-N 3.27Å; A139-K142 PolarHBondContact O-N 2.81Å; S140-K142 VanDerWaalsContact C-N 3.34Å; K142-F146 WeakPolarHBondContact O-CB 3.44Å; K142-F146 PolarHBondContact O-N 3.34Å |
| 143 | E | 62.1 | Low | 63.9 | Low | 108 Ų | 108 | 103.5 Ų | 103.5 | 51% | 0.505 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -67.5 | -38.3 | 174 | -165.3 | 179.7 | 159.7 | 0 | 0 | 112.3 | A139 S140 A141 F146 R147 | A139-E143 PolarHBondContact O-N 3.25Å; S140-E143 PolarHBondContact O-N 3.28Å; A141-E143 VanDerWaalsContact C-N 3.26Å; A141-E143 PolarHBondContact O-N 3Å; E143-F146 PolarHBondContact O-N 3.37Å; E143-R147 WeakPolarHBondContact O-CG 3.32Å; E143-R147 PolarHBondContact O-N 3.37Å; E143-R147 IonicContact OE1-CZ 3.09Å; E143-R147 IonicContact OE1-NE 2.76Å; E143-R147 IonicContact OE1-NH2 3.77Å; E143-R147 PolarHBondContact OE1-NH2 3.01Å |
| 144 | V | 61.1 | Low | 65.4 | Low | 90 Ų | 90 | 103.6 Ų | 103.6 | 55% | 0.545 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -70.4 | -41.6 | 176.6 | 178.8 | 0 | 0 | 0 | 0 | 111.9 | S140 A141 F146 R147 A148 | S140-V144 WeakPolarHBondContact O-CG2 3.28Å; S140-V144 PolarHBondContact O-N 3.38Å; A141-V144 CarbonylContact O-C 3.53Å; A141-V144 WeakPolarHBondContact O-CA 3.38Å; A141-V144 PolarHBondContact O-N 3.38Å; V144-F146 VanDerWaalsContact C-N 3.27Å; V144-F146 PolarHBondContact O-N 3.42Å; V144-R147 PolarHBondContact O-N 2.82Å; V144-A148 WeakPolarHBondContact O-CB 3.41Å; V144-A148 PolarHBondContact O-N 2.9Å |
| 145 | W | 69.9 | Low | 67.2 | Low | 189 Ų | 189 | 100.6 Ų | 100.6 | 72% | 0.716 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.4 | -32.9 | 173.6 | -58 | 109.9 | 0 | 0 | 0 | 111.3 | A141 A149 | A141-W145 PolarHBondContact O-N 2.89Å; A141-W145 PolarHBondContact O-NE1 3.39Å; W145-A149 WeakPolarHBondContact O-CB 3.42Å; W145-A149 PolarHBondContact O-N 3.06Å |
| 146 | F | 66.3 | Low | 68.8 | Low | 146 Ų | 146 | 98.3 Ų | 98.3 | 64% | 0.64 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -71.1 | -42.6 | 176.4 | -167.3 | -99.4 | 0 | 0 | 0 | 112 | K142 E143 V144 A149 V150 | K142-F146 WeakPolarHBondContact O-CB 3.44Å; K142-F146 PolarHBondContact O-N 3.34Å; E143-F146 PolarHBondContact O-N 3.37Å; V144-F146 VanDerWaalsContact C-N 3.27Å; V144-F146 PolarHBondContact O-N 3.42Å; F146-A149 PolarHBondContact O-N 3.32Å; F146-V150 HydrophobicContact CD1-CG2 4.43Å; F146-V150 HydrophobicContact CE1-CG2 4.13Å; F146-V150 HydrophobicContact CZ-CG2 4.42Å; F146-V150 WeakPolarHBondContact O-CB 3.46Å; F146-V150 PolarHBondContact O-N 3.46Å |
| 147 | R | 69.6 | Low | 70.7 | Confident | 159 Ų | 159 | 94.1 Ų | 94.1 | 60% | 0.6 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.9 | -41.3 | 172.3 | -69.6 | -179.5 | -170.8 | -159.1 | 5.3 | 111.8 | E143 V144 I151 | E143-R147 WeakPolarHBondContact O-CG 3.32Å; E143-R147 PolarHBondContact O-N 3.37Å; E143-R147 IonicContact OE1-CZ 3.09Å; E143-R147 IonicContact OE1-NE 2.76Å; E143-R147 IonicContact OE1-NH2 3.77Å; E143-R147 PolarHBondContact OE1-NH2 3.01Å; V144-R147 PolarHBondContact O-N 2.82Å; R147-I151 WeakPolarHBondContact O-CG1 3.2Å; R147-I151 PolarHBondContact O-N 2.79Å |
| 148 | A | 73.9 | Confident | 72.4 | Confident | 51 Ų | 51 | 89.8 Ų | 89.8 | 42% | 0.421 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.3 | -41.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | V144 I151 A152 | V144-A148 WeakPolarHBondContact O-CB 3.41Å; V144-A148 PolarHBondContact O-N 2.9Å; A148-I151 PolarHBondContact O-N 3.23Å; A148-A152 WeakPolarHBondContact O-CB 3.37Å; A148-A152 PolarHBondContact O-N 3.29Å |
| 149 | A | 80.2 | Confident | 74.1 | Confident | 44 Ų | 44 | 89.1 Ų | 89.1 | 36% | 0.364 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.1 | -42.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | W145 F146 I151 A152 V153 | W145-A149 WeakPolarHBondContact O-CB 3.42Å; W145-A149 PolarHBondContact O-N 3.06Å; F146-A149 PolarHBondContact O-N 3.32Å; A149-I151 PolarHBondContact O-N 3.47Å; A149-A152 PolarHBondContact O-N 2.81Å; A149-V153 WeakPolarHBondContact O-CB 3.42Å; A149-V153 WeakPolarHBondContact O-CG2 3.4Å; A149-V153 PolarHBondContact O-N 2.95Å |
| 150 | V | 81.3 | Confident | 75.9 | Confident | 87 Ų | 87 | 90.9 Ų | 90.9 | 53% | 0.527 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.9 | -30.7 | 175.8 | 153.7 | 0 | 0 | 0 | 0 | 112.5 | F146 P154 | F146-V150 HydrophobicContact CD1-CG2 4.43Å; F146-V150 HydrophobicContact CE1-CG2 4.13Å; F146-V150 HydrophobicContact CZ-CG2 4.42Å; F146-V150 WeakPolarHBondContact O-CB 3.46Å; F146-V150 PolarHBondContact O-N 3.46Å; V150-P154 WeakPolarHBondContact O-CD 3.05Å; V150-P154 WeakPolarHBondContact O-CG 3.33Å |
| 151 | I | 75.3 | Confident | 77.8 | Confident | 110 Ų | 110 | 93 Ų | 93 | 56% | 0.564 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -86.3 | -42.3 | 176.9 | -61.8 | 168.2 | 0 | 0 | 0 | 111.1 | R147 A148 A149 P154 I155 | R147-I151 WeakPolarHBondContact O-CG1 3.2Å; R147-I151 PolarHBondContact O-N 2.79Å; A148-I151 PolarHBondContact O-N 3.23Å; A149-I151 PolarHBondContact O-N 3.47Å; I151-P154 WeakPolarHBondContact O-CD 3.41Å; I151-I155 HydrophobicContact CG2-CD1 3.99Å; I151-I155 WeakPolarHBondContact O-CD1 3.47Å; I151-I155 VanDerWaalsContact O-CG1 3.32Å; I151-I155 WeakPolarHBondContact O-CG1 3.43Å |
| 152 | A | 77 | Confident | 79.3 | Confident | 53 Ų | 53 | 95.5 Ų | 95.5 | 44% | 0.438 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -71.3 | -33.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | A148 A149 I155 A156 | A148-A152 WeakPolarHBondContact O-CB 3.37Å; A148-A152 PolarHBondContact O-N 3.29Å; A149-A152 PolarHBondContact O-N 2.81Å; A152-I155 PolarHBondContact O-N 3.15Å; A152-A156 VanDerWaalsContact O-CB 3.31Å; A152-A156 WeakPolarHBondContact O-CB 3.16Å; A152-A156 PolarHBondContact O-N 3.27Å |
| 153 | V | 83.3 | Confident | 81 | Confident | 99 Ų | 99 | 93.2 Ų | 93.2 | 60% | 0.6 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.2 | -46.5 | -177.6 | 168.1 | 0 | 0 | 0 | 0 | 112.1 | A149 I155 G157 | A149-V153 WeakPolarHBondContact O-CB 3.42Å; A149-V153 WeakPolarHBondContact O-CG2 3.4Å; A149-V153 PolarHBondContact O-N 2.95Å; V153-I155 VanDerWaalsContact C-N 3.34Å; V153-I155 PolarHBondContact O-N 3.01Å; V153-G157 WeakPolarHBondContact O-CA 3.46Å; V153-G157 PolarHBondContact O-N 3.31Å |
| 154 | P | 87 | Confident | 82.4 | Confident | 87 Ų | 87 | 93 Ų | 93 | 57% | 0.565 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.3 | -39.4 | 172.3 | -25.9 | 34.2 | 0 | 0 | 0 | 113.4 | V150 I151 G158 | V150-P154 WeakPolarHBondContact O-CD 3.05Å; V150-P154 WeakPolarHBondContact O-CG 3.33Å; I151-P154 WeakPolarHBondContact O-CD 3.41Å; P154-G158 PolarHBondContact O-N 2.96Å |
| 155 | I | 88 | Confident | 84 | Confident | 104 Ų | 104 | 92.9 Ų | 92.9 | 53% | 0.533 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.9 | -49.8 | 179.9 | -63 | 169.1 | 0 | 0 | 0 | 110.2 | I151 A152 V153 G158 L159 | I151-I155 HydrophobicContact CG2-CD1 3.99Å; I151-I155 WeakPolarHBondContact O-CD1 3.47Å; I151-I155 VanDerWaalsContact O-CG1 3.32Å; I151-I155 WeakPolarHBondContact O-CG1 3.43Å; A152-I155 PolarHBondContact O-N 3.15Å; V153-I155 VanDerWaalsContact C-N 3.34Å; V153-I155 PolarHBondContact O-N 3.01Å; I155-G158 PolarHBondContact O-N 3.19Å; I155-L159 HydrophobicContact CG2-CD1 4.42Å; I155-L159 WeakPolarHBondContact O-CG 3.17Å; I155-L159 PolarHBondContact O-N 2.8Å |
| 156 | A | 89.1 | Confident | 84.7 | Confident | 47 Ų | 47 | 88.4 Ų | 88.4 | 39% | 0.388 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.7 | -43.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | A152 G158 L159 I160 | A152-A156 VanDerWaalsContact O-CB 3.31Å; A152-A156 WeakPolarHBondContact O-CB 3.16Å; A152-A156 PolarHBondContact O-N 3.27Å; A156-G158 VanDerWaalsContact C-N 3.34Å; A156-G158 PolarHBondContact O-N 3.28Å; A156-L159 PolarHBondContact O-N 3.28Å; A156-I160 VanDerWaalsContact O-CG1 3.26Å; A156-I160 WeakPolarHBondContact O-CG1 3.41Å; A156-I160 PolarHBondContact O-N 2.83Å |
| 157 | G | 90.8 | Very high | 85.8 | Confident | 38 Ų | 38 | 86.7 Ų | 86.7 | 39% | 0.392 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.7 | -42.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | V153 I160 L161 | V153-G157 WeakPolarHBondContact O-CA 3.46Å; V153-G157 PolarHBondContact O-N 3.31Å; G157-I160 PolarHBondContact O-N 3.21Å; G157-L161 VanDerWaalsContact O-CB 3.3Å; G157-L161 WeakPolarHBondContact O-CB 2.96Å; G157-L161 PolarHBondContact O-N 2.81Å |
| 158 | G | 86.8 | Confident | 86.8 | Confident | 32 Ų | 32 | 81.3 Ų | 81.3 | 33% | 0.33 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.8 | -45.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | P154 I155 A156 L161 V162 | P154-G158 PolarHBondContact O-N 2.96Å; I155-G158 PolarHBondContact O-N 3.19Å; A156-G158 VanDerWaalsContact C-N 3.34Å; A156-G158 PolarHBondContact O-N 3.28Å; G158-L161 PolarHBondContact O-N 3.26Å; G158-V162 VanDerWaalsContact O-CG2 3.31Å; G158-V162 WeakPolarHBondContact O-CG2 3.49Å; G158-V162 PolarHBondContact O-N 3.03Å |
| 159 | L | 90.2 | Very high | 87.2 | Confident | 112 Ų | 112 | 82.2 Ų | 82.2 | 59% | 0.586 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.8 | -44.3 | 177 | -70 | 175.3 | 0 | 0 | 0 | 112 | I155 A156 V162 L163 | I155-L159 HydrophobicContact CG2-CD1 4.42Å; I155-L159 WeakPolarHBondContact O-CG 3.17Å; I155-L159 PolarHBondContact O-N 2.8Å; A156-L159 PolarHBondContact O-N 3.28Å; L159-V162 PolarHBondContact O-N 3.15Å; L159-L163 WeakPolarHBondContact O-CG 3.49Å; L159-L163 PolarHBondContact O-N 3.24Å |
| 160 | I | 95 | Very high | 87.3 | Confident | 97 Ų | 97 | 88.4 Ų | 88.4 | 50% | 0.497 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.8 | -45.6 | 176.8 | -66.8 | 164.2 | 0 | 0 | 0 | 110.3 | A156 G157 V162 L163 L164 | A156-I160 VanDerWaalsContact O-CG1 3.26Å; A156-I160 WeakPolarHBondContact O-CG1 3.41Å; A156-I160 PolarHBondContact O-N 2.83Å; G157-I160 PolarHBondContact O-N 3.21Å; I160-V162 VanDerWaalsContact C-N 3.34Å; I160-V162 PolarHBondContact O-N 2.02Å; I160-L163 PolarHBondContact O-N 3.37Å; I160-L164 HydrophobicContact CG2-CD1 3.99Å; I160-L164 HydrophobicContact CG2-CG 4.27Å; I160-L164 WeakPolarHBondContact O-CG 3.09Å; I160-L164 PolarHBondContact O-N 2.02Å |
| 161 | L | 93.8 | Very high | 87.1 | Confident | 104 Ų | 104 | 89.4 Ų | 89.4 | 55% | 0.545 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.2 | -44.8 | 178.3 | -174.5 | 68.2 | 0 | 0 | 0 | 111.5 | G157 G158 L163 L164 I165 | G157-L161 VanDerWaalsContact O-CB 3.3Å; G157-L161 WeakPolarHBondContact O-CB 2.96Å; G157-L161 PolarHBondContact O-N 2.81Å; G158-L161 PolarHBondContact O-N 3.26Å; L161-L163 PolarHBondContact O-N 3.01Å; L161-L164 PolarHBondContact O-N 3.12Å; L161-I165 HydrophobicContact CG-CD1 4.04Å; L161-I165 VanDerWaalsContact O-CG1 3.26Å; L161-I165 WeakPolarHBondContact O-CG1 3.39Å; L161-I165 PolarHBondContact O-N 3.27Å |
| 162 | V | 88.3 | Confident | 87.2 | Confident | 87 Ų | 87 | 89 Ų | 89 | 53% | 0.527 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.3 | -43.2 | 176 | 170.5 | 0 | 0 | 0 | 0 | 111.3 | G158 L159 I160 I165 M166 | G158-V162 VanDerWaalsContact O-CG2 3.31Å; G158-V162 WeakPolarHBondContact O-CG2 3.49Å; G158-V162 PolarHBondContact O-N 3.03Å; L159-V162 PolarHBondContact O-N 3.15Å; I160-V162 VanDerWaalsContact C-N 3.34Å; I160-V162 PolarHBondContact O-N 2.02Å; V162-I165 PolarHBondContact O-N 2.84Å; V162-M166 HydrophobicContact CG1-CG 4.44Å; V162-M166 WeakPolarHBondContact O-CB 2.99Å; V162-M166 VanDerWaalsContact O-CG 3.31Å; V162-M166 WeakPolarHBondContact O-CG 3.29Å; V162-M166 PolarHBondContact O-N 3.13Å |
| 163 | L | 91.4 | Very high | 87 | Confident | 113 Ų | 113 | 95.1 Ų | 95.1 | 59% | 0.592 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.7 | -44 | 176.7 | -71.5 | 176 | 0 | 0 | 0 | 111.9 | L159 I160 L161 M166 L167 | L159-L163 WeakPolarHBondContact O-CG 3.49Å; L159-L163 PolarHBondContact O-N 3.24Å; I160-L163 PolarHBondContact O-N 3.37Å; L161-L163 PolarHBondContact O-N 3.01Å; L163-M166 PolarHBondContact O-N 3.34Å; L163-L167 WeakPolarHBondContact O-CG 3.14Å; L163-L167 PolarHBondContact O-N 2.84Å |
| 164 | L | 92.3 | Very high | 86.6 | Confident | 103 Ų | 103 | 93.7 Ų | 93.7 | 54% | 0.539 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.6 | -42.5 | 176.7 | -69 | 176.2 | 0 | 0 | 0 | 111.7 | I160 L161 L167 A168 | I160-L164 HydrophobicContact CG2-CD1 3.99Å; I160-L164 HydrophobicContact CG2-CG 4.27Å; I160-L164 WeakPolarHBondContact O-CG 3.09Å; I160-L164 PolarHBondContact O-N 2.02Å; L161-L164 PolarHBondContact O-N 3.12Å; L164-L167 PolarHBondContact O-N 3.09Å; L164-A168 WeakPolarHBondContact O-CB 3.22Å; L164-A168 PolarHBondContact O-N 3.23Å |
| 165 | I | 94.3 | Very high | 85.9 | Confident | 88 Ų | 88 | 94.2 Ų | 94.2 | 45% | 0.451 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.8 | -45.5 | 174.5 | -68.9 | 166 | 0 | 0 | 0 | 110.5 | L161 V162 L167 A168 L169 | L161-I165 HydrophobicContact CG-CD1 4.04Å; L161-I165 VanDerWaalsContact O-CG1 3.26Å; L161-I165 WeakPolarHBondContact O-CG1 3.39Å; L161-I165 PolarHBondContact O-N 3.27Å; V162-I165 PolarHBondContact O-N 2.84Å; I165-L167 VanDerWaalsContact C-N 3.33Å; I165-L167 PolarHBondContact O-N 3.2Å; I165-A168 PolarHBondContact O-N 2.76Å; I165-L169 HydrophobicContact CG2-CD1 3.9Å; I165-L169 HydrophobicContact CG2-CG 4.27Å; I165-L169 WeakPolarHBondContact O-CB 3Å; I165-L169 VanDerWaalsContact O-CG 3.28Å; I165-L169 WeakPolarHBondContact O-CG 3.07Å; I165-L169 PolarHBondContact O-N 3.18Å |
| 166 | M | 85.9 | Confident | 85.1 | Confident | 96 Ų | 96 | 93.6 Ų | 93.6 | 47% | 0.473 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.9 | -38.7 | 178.3 | -76.8 | -64.2 | -65.9 | 0 | 0 | 112.4 | V162 L163 R170 | V162-M166 HydrophobicContact CG1-CG 4.44Å; V162-M166 WeakPolarHBondContact O-CB 2.99Å; V162-M166 VanDerWaalsContact O-CG 3.31Å; V162-M166 WeakPolarHBondContact O-CG 3.29Å; V162-M166 PolarHBondContact O-N 3.13Å; L163-M166 PolarHBondContact O-N 3.34Å; M166-R170 WeakPolarHBondContact O-CB 2.98Å; M166-R170 WeakPolarHBondContact O-CG 3.43Å; M166-R170 PolarHBondContact O-N 2.96Å |
| 167 | L | 88.6 | Confident | 84.4 | Confident | 110 Ų | 110 | 97.7 Ų | 97.7 | 58% | 0.576 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66.1 | -46.4 | 174.1 | -73.3 | 173.5 | 0 | 0 | 0 | 111.4 | L163 L164 I165 L169 R170 M171 | L163-L167 WeakPolarHBondContact O-CG 3.14Å; L163-L167 PolarHBondContact O-N 2.84Å; L164-L167 PolarHBondContact O-N 3.09Å; I165-L167 VanDerWaalsContact C-N 3.33Å; I165-L167 PolarHBondContact O-N 3.2Å; L167-L169 VanDerWaalsContact C-N 3.34Å; L167-L169 PolarHBondContact O-N 2.96Å; L167-R170 PolarHBondContact O-N 3.24Å; L167-M171 WeakPolarHBondContact O-CB 3.1Å; L167-M171 PolarHBondContact O-N 3.06Å |
| 168 | A | 90.8 | Very high | 83.3 | Confident | 45 Ų | 45 | 105.5 Ų | 105.5 | 37% | 0.372 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.1 | -43.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L164 I165 M171 L172 | L164-A168 WeakPolarHBondContact O-CB 3.22Å; L164-A168 PolarHBondContact O-N 3.23Å; I165-A168 PolarHBondContact O-N 2.76Å; A168-M171 PolarHBondContact O-N 3.38Å; A168-L172 WeakPolarHBondContact O-CB 3.39Å; A168-L172 VanDerWaalsContact O-CG 3.27Å; A168-L172 WeakPolarHBondContact O-CG 3.44Å; A168-L172 PolarHBondContact O-N 3.44Å |
| 169 | L | 82.6 | Confident | 82.4 | Confident | 70 Ų | 70 | 108.8 Ų | 108.8 | 37% | 0.366 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66.6 | -37.3 | 175.6 | -71.2 | 176.5 | 0 | 0 | 0 | 112.4 | I165 L167 M171 R173 | I165-L169 HydrophobicContact CG2-CD1 3.9Å; I165-L169 HydrophobicContact CG2-CG 4.27Å; I165-L169 WeakPolarHBondContact O-CB 3Å; I165-L169 VanDerWaalsContact O-CG 3.28Å; I165-L169 WeakPolarHBondContact O-CG 3.07Å; I165-L169 PolarHBondContact O-N 3.18Å; L167-L169 VanDerWaalsContact C-N 3.34Å; L167-L169 PolarHBondContact O-N 2.96Å; L169-M171 VanDerWaalsContact C-N 3.34Å; L169-R173 VanDerWaalsContact O-CB 3.22Å; L169-R173 WeakPolarHBondContact O-CB 3.07Å; L169-R173 WeakPolarHBondContact O-CG 3.39Å; L169-R173 PolarHBondContact O-N 2.97Å |
| 170 | R | 81 | Confident | 81.5 | Confident | 175 Ų | 175 | 109 Ų | 109 | 66% | 0.66 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -65.7 | -38.7 | 173.4 | -87.2 | -173 | 166.4 | 156.7 | -1.6 | 111.7 | M166 L167 S174 | M166-R170 WeakPolarHBondContact O-CB 2.98Å; M166-R170 WeakPolarHBondContact O-CG 3.43Å; M166-R170 PolarHBondContact O-N 2.96Å; L167-R170 PolarHBondContact O-N 3.24Å; R170-S174 WeakPolarHBondContact O-CB 3.1Å; R170-S174 PolarHBondContact O-N 3.02Å; R170-S174 PolarHBondContact O-OG 3.25Å; R170-S174 VanDerWaalsContact O-OG 3.11Å |
| 171 | M | 77.9 | Confident | 80.5 | Confident | 108 Ų | 108 | 107.9 Ų | 107.9 | 53% | 0.532 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.2 | -48.9 | 175.7 | -165.9 | 178.7 | 82.2 | 0 | 0 | 110.7 | L167 A168 L169 R173 S174 E175 | L167-M171 WeakPolarHBondContact O-CB 3.1Å; L167-M171 PolarHBondContact O-N 3.06Å; A168-M171 PolarHBondContact O-N 3.38Å; L169-M171 VanDerWaalsContact C-N 3.34Å; M171-R173 VanDerWaalsContact C-N 3.33Å; M171-R173 PolarHBondContact O-N 2.85Å; M171-S174 PolarHBondContact O-N 2.93Å; M171-S174 PolarHBondContact O-OG 2.74Å; M171-E175 WeakPolarHBondContact O-CB 3.27Å; M171-E175 VanDerWaalsContact O-CG 3.31Å; M171-E175 WeakPolarHBondContact O-CG 3.45Å; M171-E175 PolarHBondContact O-N 2.84Å |
| 172 | L | 76.9 | Confident | 79.2 | Confident | 101 Ų | 101 | 108.4 Ų | 108.4 | 53% | 0.529 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62 | -39.4 | 176.1 | -70.8 | 169.9 | 0 | 0 | 0 | 112 | A168 N176 | A168-L172 WeakPolarHBondContact O-CB 3.39Å; A168-L172 VanDerWaalsContact O-CG 3.27Å; A168-L172 WeakPolarHBondContact O-CG 3.44Å; A168-L172 PolarHBondContact O-N 3.44Å; L172-N176 WeakPolarHBondContact O-CB 3.3Å; L172-N176 PolarHBondContact O-N 3.05Å |
| 173 | R | 73.8 | Confident | 78.1 | Confident | 181 Ų | 181 | 113.2 Ų | 113.2 | 68% | 0.683 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -73 | -36.9 | 176.8 | -75 | 179.2 | -174.5 | 175.8 | 4 | 112.8 | L169 M171 K177 | L169-R173 VanDerWaalsContact O-CB 3.22Å; L169-R173 WeakPolarHBondContact O-CB 3.07Å; L169-R173 WeakPolarHBondContact O-CG 3.39Å; L169-R173 PolarHBondContact O-N 2.97Å; M171-R173 VanDerWaalsContact C-N 3.33Å; M171-R173 PolarHBondContact O-N 2.85Å; R173-K177 WeakPolarHBondContact O-CB 3.28Å; R173-K177 PolarHBondContact O-N 3.08Å |
| 174 | S | 73.3 | Confident | 77 | Confident | 69 Ų | 69 | 113.9 Ų | 113.9 | 48% | 0.483 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -69.6 | -39.4 | 178.9 | 67.2 | 0 | 0 | 0 | 0 | 111.1 | R170 M171 R178 | R170-S174 WeakPolarHBondContact O-CB 3.1Å; R170-S174 PolarHBondContact O-N 3.02Å; R170-S174 PolarHBondContact O-OG 3.25Å; R170-S174 VanDerWaalsContact O-OG 3.11Å; M171-S174 PolarHBondContact O-N 2.93Å; M171-S174 PolarHBondContact O-OG 2.74Å; S174-R178 PolarHBondContact O-N 3.36Å |
| 175 | E | 72.8 | Confident | 75.8 | Confident | 99 Ų | 99 | 114.9 Ų | 114.9 | 46% | 0.463 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -67.7 | -46.7 | 174 | -70.2 | -176 | 161 | 0 | 0 | 111.4 | M171 K177 R178 L179 | M171-E175 WeakPolarHBondContact O-CB 3.27Å; M171-E175 VanDerWaalsContact O-CG 3.31Å; M171-E175 WeakPolarHBondContact O-CG 3.45Å; M171-E175 PolarHBondContact O-N 2.84Å; E175-K177 VanDerWaalsContact C-N 3.3Å; E175-K177 PolarHBondContact O-N 3.01Å; E175-R178 WeakPolarHBondContact O-CB 3.42Å; E175-R178 PolarHBondContact O-N 3.49Å; E175-R178 VanDerWaalsContact O-N 3.12Å; E175-L179 WeakPolarHBondContact O-CD1 3.27Å; E175-L179 PolarHBondContact O-N 3.42Å |
| 176 | N | 70.8 | Confident | 74.3 | Confident | 91 Ų | 91 | 117 Ų | 117 | 49% | 0.487 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.2 | -36.9 | 177.6 | -156.7 | -45 | 0 | 0 | 0 | 111.5 | L172 L179 Q180 | L172-N176 WeakPolarHBondContact O-CB 3.3Å; L172-N176 PolarHBondContact O-N 3.05Å; N176-L179 PolarHBondContact O-N 3.23Å; N176-Q180 WeakPolarHBondContact O-CB 3.2Å; N176-Q180 VanDerWaalsContact O-CG 3.31Å; N176-Q180 WeakPolarHBondContact O-CG 3.37Å; N176-Q180 PolarHBondContact O-N 3.22Å |
| 177 | K | 74.5 | Confident | 73.5 | Confident | 133 Ų | 133 | 117.7 Ų | 117.7 | 58% | 0.578 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -64 | -42.8 | 172.4 | -169.8 | 166.4 | -177.4 | 170.7 | 0 | 111.9 | R173 E175 L179 Q180 D181 | R173-K177 WeakPolarHBondContact O-CB 3.28Å; R173-K177 PolarHBondContact O-N 3.08Å; E175-K177 VanDerWaalsContact C-N 3.3Å; E175-K177 PolarHBondContact O-N 3.01Å; K177-L179 VanDerWaalsContact C-N 3.34Å; K177-L179 PolarHBondContact O-N 2.69Å; K177-Q180 PolarHBondContact O-N 3.09Å; K177-D181 WeakPolarHBondContact O-CB 3.41Å; K177-D181 VanDerWaalsContact O-CG 3.26Å; K177-D181 PolarHBondContact O-N 2.78Å |
| 178 | R | 67.8 | Low | 72.3 | Confident | 202 Ų | 202 | 115.6 Ų | 115.6 | 76% | 0.762 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -60 | -42.6 | 173.1 | -120.6 | 174.2 | 69.6 | 168.7 | 1 | 112.3 | S174 E175 Q182 | S174-R178 PolarHBondContact O-N 3.36Å; E175-R178 WeakPolarHBondContact O-CB 3.42Å; E175-R178 PolarHBondContact O-N 3.49Å; E175-R178 VanDerWaalsContact O-N 3.12Å; R178-Q182 WeakPolarHBondContact O-CB 3.33Å; R178-Q182 PolarHBondContact O-N 3.27Å |
| 179 | L | 67.9 | Low | 70.9 | Confident | 101 Ų | 101 | 123 Ų | 123 | 53% | 0.529 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -66 | -39.7 | 175.7 | -85.2 | 142.4 | 0 | 0 | 0 | 112.1 | E175 N176 K177 R183 | E175-L179 WeakPolarHBondContact O-CD1 3.27Å; E175-L179 PolarHBondContact O-N 3.42Å; N176-L179 PolarHBondContact O-N 3.23Å; K177-L179 VanDerWaalsContact C-N 3.34Å; K177-L179 PolarHBondContact O-N 2.69Å; L179-R183 WeakPolarHBondContact O-CB 3.5Å; L179-R183 VanDerWaalsContact O-CG 3.31Å; L179-R183 WeakPolarHBondContact O-CG 3.33Å; L179-R183 PolarHBondContact O-N 2.87Å |
| 180 | Q | 71.7 | Confident | 69.9 | Low | 117 Ų | 117 | 125.7 Ų | 125.7 | 55% | 0.547 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -66.5 | -44.4 | 175.2 | -78.5 | -176 | -24.2 | 0 | 0 | 111.9 | N176 K177 Q182 R183 Q184 | N176-Q180 WeakPolarHBondContact O-CB 3.2Å; N176-Q180 VanDerWaalsContact O-CG 3.31Å; N176-Q180 WeakPolarHBondContact O-CG 3.37Å; N176-Q180 PolarHBondContact O-N 3.22Å; K177-Q180 PolarHBondContact O-N 3.09Å; Q180-Q182 VanDerWaalsContact C-N 3.33Å; Q180-Q182 PolarHBondContact O-N 2.75Å; Q180-R183 PolarHBondContact O-N 3.02Å; Q180-Q184 WeakPolarHBondContact O-CB 3.01Å; Q180-Q184 WeakPolarHBondContact O-CG 3.33Å; Q180-Q184 PolarHBondContact O-N 2.85Å |
| 181 | D | 73.8 | Confident | 68.7 | Low | 72 Ų | 72 | 123.5 Ų | 123.5 | 39% | 0.385 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -62.2 | -42.2 | 176.4 | -69.2 | -23.1 | 0 | 0 | 0 | 110.6 | K177 Q184 Q185 | K177-D181 WeakPolarHBondContact O-CB 3.41Å; K177-D181 VanDerWaalsContact O-CG 3.26Å; K177-D181 PolarHBondContact O-N 2.78Å; D181-Q184 PolarHBondContact O-N 2.84Å; D181-Q185 WeakPolarHBondContact O-CB 3.01Å; D181-Q185 VanDerWaalsContact O-CG 3.29Å; D181-Q185 WeakPolarHBondContact O-CG 3.28Å; D181-Q185 PolarHBondContact O-N 3.12Å |
| 182 | Q | 67 | Low | 67.7 | Low | 116 Ų | 116 | 128 Ų | 128 | 54% | 0.542 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -64.1 | -40.5 | 174.9 | -169.2 | -179.1 | -9.9 | 0 | 0 | 112.2 | R178 Q180 Q185 M186 | R178-Q182 WeakPolarHBondContact O-CB 3.33Å; R178-Q182 PolarHBondContact O-N 3.27Å; Q180-Q182 VanDerWaalsContact C-N 3.33Å; Q180-Q182 PolarHBondContact O-N 2.75Å; Q182-Q185 PolarHBondContact O-N 2.83Å; Q182-M186 VanDerWaalsContact O-CG 3.23Å; Q182-M186 WeakPolarHBondContact O-CG 3.4Å; Q182-M186 PolarHBondContact O-N 3.15Å |
| 183 | R | 64.5 | Low | 66.8 | Low | 187 Ų | 187 | 127.2 Ų | 127.2 | 71% | 0.706 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -67 | -39.3 | 174.8 | -76.7 | -124.3 | 177.4 | 164.6 | -1.3 | 112.3 | L179 Q180 M186 L187 | L179-R183 WeakPolarHBondContact O-CB 3.5Å; L179-R183 VanDerWaalsContact O-CG 3.31Å; L179-R183 WeakPolarHBondContact O-CG 3.33Å; L179-R183 PolarHBondContact O-N 2.87Å; Q180-R183 PolarHBondContact O-N 3.02Å; R183-M186 PolarHBondContact O-N 3.43Å; R183-L187 WeakPolarHBondContact O-CB 3.25Å; R183-L187 WeakPolarHBondContact O-CG 3.25Å; R183-L187 PolarHBondContact O-N 3.46Å |
| 184 | Q | 68.9 | Low | 66 | Low | 128 Ų | 128 | 125.5 Ų | 125.5 | 60% | 0.598 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -66.6 | -36.9 | 175.6 | -77.4 | -174.1 | -17.4 | 0 | 0 | 112 | Q180 D181 L187 S188 | Q180-Q184 WeakPolarHBondContact O-CB 3.01Å; Q180-Q184 WeakPolarHBondContact O-CG 3.33Å; Q180-Q184 PolarHBondContact O-N 2.85Å; D181-Q184 PolarHBondContact O-N 2.84Å; Q184-L187 PolarHBondContact O-N 3.3Å; Q184-S188 VanDerWaalsContact O-CB 3.26Å; Q184-S188 WeakPolarHBondContact O-CB 3.39Å; Q184-S188 PolarHBondContact O-N 2.69Å; Q184-S188 PolarHBondContact O-OG 3.1Å |
| 185 | Q | 66.4 | Low | 65 | Low | 123 Ų | 123 | 128.3 Ų | 128.3 | 58% | 0.575 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -68.2 | -37.4 | 173.7 | -72.6 | 175.7 | -0.8 | 0 | 0 | 112.8 | D181 Q182 S188 R189 | D181-Q185 WeakPolarHBondContact O-CB 3.01Å; D181-Q185 VanDerWaalsContact O-CG 3.29Å; D181-Q185 WeakPolarHBondContact O-CG 3.28Å; D181-Q185 PolarHBondContact O-N 3.12Å; Q182-Q185 PolarHBondContact O-N 2.83Å; Q185-S188 WeakPolarHBondContact CA-OG 3.18Å; Q185-S188 PolarHBondContact O-OG 3.09Å; Q185-S188 VanDerWaalsContact O-OG 3.14Å; Q185-R189 WeakPolarHBondContact O-CB 3.09Å; Q185-R189 WeakPolarHBondContact O-CG 3.34Å; Q185-R189 PolarHBondContact O-N 3.09Å; Q185-R189 VanDerWaalsContact O-N 3.14Å |
| 186 | M | 64.2 | Low | 63.8 | Low | 134 Ų | 134 | 126.3 Ų | 126.3 | 66% | 0.66 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -66.3 | -43.4 | 173.1 | -71.4 | -95.8 | -113.7 | 0 | 0 | 111.4 | Q182 R183 L190 | Q182-M186 VanDerWaalsContact O-CG 3.23Å; Q182-M186 WeakPolarHBondContact O-CG 3.4Å; Q182-M186 PolarHBondContact O-N 3.15Å; R183-M186 PolarHBondContact O-N 3.43Å; M186-L190 PolarHBondContact O-N 3.29Å; M186-L190 VanDerWaalsContact O-N 3.12Å |
| 187 | L | 68.1 | Low | 62.8 | Low | 110 Ų | 110 | 130 Ų | 130 | 58% | 0.576 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -69.8 | -39.2 | 178.4 | -75.4 | 169.1 | 0 | 0 | 0 | 112.7 | R183 Q184 R189 L190 H191 | R183-L187 WeakPolarHBondContact O-CB 3.25Å; R183-L187 WeakPolarHBondContact O-CG 3.25Å; R183-L187 PolarHBondContact O-N 3.46Å; Q184-L187 PolarHBondContact O-N 3.3Å; L187-R189 VanDerWaalsContact C-N 3.35Å; L187-L190 WeakPolarHBondContact O-CB 3.44Å; L187-L190 PolarHBondContact O-N 2.72Å; L187-H191 PolarHBondContact O-N 3.08Å |
| 188 | S | 64.8 | Low | 61.5 | Low | 66 Ų | 66 | 130.8 Ų | 130.8 | 46% | 0.462 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -68.1 | -34.9 | 177.4 | 62.5 | 0 | 0 | 0 | 0 | 112 | Q184 Q185 H191 Y192 | Q184-S188 VanDerWaalsContact O-CB 3.26Å; Q184-S188 WeakPolarHBondContact O-CB 3.39Å; Q184-S188 PolarHBondContact O-N 2.69Å; Q184-S188 PolarHBondContact O-OG 3.1Å; Q185-S188 WeakPolarHBondContact CA-OG 3.18Å; Q185-S188 PolarHBondContact O-OG 3.09Å; Q185-S188 VanDerWaalsContact O-OG 3.14Å; S188-H191 PolarHBondContact O-N 3.27Å; S188-Y192 PolarHBondContact O-N 3.32Å |
| 189 | R | 60.3 | Low | 60.6 | Low | 199 Ų | 199 | 126.5 Ų | 126.5 | 75% | 0.751 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -63 | -40.1 | 169.3 | -83.3 | -174.3 | 152.6 | 141.7 | -2.3 | 112.8 | Q185 L187 S193 | Q185-R189 WeakPolarHBondContact O-CB 3.09Å; Q185-R189 WeakPolarHBondContact O-CG 3.34Å; Q185-R189 PolarHBondContact O-N 3.09Å; Q185-R189 VanDerWaalsContact O-N 3.14Å; L187-R189 VanDerWaalsContact C-N 3.35Å; R189-S193 WeakPolarHBondContact O-CB 3.31Å; R189-S193 PolarHBondContact O-N 3.21Å; R189-S193 VanDerWaalsContact O-N 3.08Å |
| 190 | L | 61.3 | Low | 59.1 | Low | 127 Ų | 127 | 131.4 Ų | 131.4 | 67% | 0.665 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -65.8 | -42 | 175.7 | -149.8 | 88 | 0 | 0 | 0 | 111.5 | M186 L187 S193 F194 | M186-L190 PolarHBondContact O-N 3.29Å; M186-L190 VanDerWaalsContact O-N 3.12Å; L187-L190 WeakPolarHBondContact O-CB 3.44Å; L187-L190 PolarHBondContact O-N 2.72Å; L190-S193 PolarHBondContact O-N 2.02Å; L190-F194 PolarHBondContact O-N 3.16Å |
| 191 | H | 57 | Low | 57.9 | Low | 129 Ų | 129 | 136.5 Ų | 136.5 | 60% | 0.597 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -68.7 | -35.5 | -179.7 | -135.4 | -87 | 0 | 0 | 0 | 112.5 | L187 S188 F194 H195 | L187-H191 PolarHBondContact O-N 3.08Å; S188-H191 PolarHBondContact O-N 3.27Å; H191-F194 PolarHBondContact O-N 2.79Å; H191-H195 PolarHBondContact O-N 3.09Å; H191-H195 VanDerWaalsContact O-N 3.11Å |
| 192 | Y | 57.1 | Low | 56.4 | Low | 202 Ų | 202 | 136.1 Ų | 136.1 | 79% | 0.792 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -69.6 | -37.6 | 173.5 | -127.6 | -87 | 0 | 0 | 0 | 112.1 | S188 F194 G196 | S188-Y192 PolarHBondContact O-N 3.32Å; Y192-F194 VanDerWaalsContact C-N 3.3Å; Y192-F194 PolarHBondContact O-N 3.15Å; Y192-G196 PolarHBondContact O-N 3.19Å |
| 193 | S | 57.9 | Low | 54.9 | Low | 85 Ų | 85 | 139.3 Ų | 139.3 | 59% | 0.594 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -65.6 | -33.1 | 174.8 | -167.1 | 0 | 0 | 0 | 0 | 112.3 | R189 L190 | R189-S193 WeakPolarHBondContact O-CB 3.31Å; R189-S193 PolarHBondContact O-N 3.21Å; R189-S193 VanDerWaalsContact O-N 3.08Å; L190-S193 PolarHBondContact O-N 2.02Å |
| 194 | F | 55.8 | Low | 53.8 | Low | 145 Ų | 145 | 137 Ų | 137 | 64% | 0.636 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -77.2 | -37.2 | 179.3 | -162.4 | -100.8 | 0 | 0 | 0 | 112.5 | L190 H191 Y192 | L190-F194 PolarHBondContact O-N 3.16Å; H191-F194 PolarHBondContact O-N 2.79Å; Y192-F194 VanDerWaalsContact C-N 3.3Å; Y192-F194 PolarHBondContact O-N 3.15Å |
| 195 | H | 53.6 | Low | 52.2 | Low | 129 Ų | 129 | 135.1 Ų | 135.1 | 60% | 0.597 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -78.1 | -19 | 179.3 | -113.5 | -74.9 | 0 | 0 | 0 | 114.5 | H191 H197 | H191-H195 PolarHBondContact O-N 3.09Å; H191-H195 VanDerWaalsContact O-N 3.11Å; H195-H197 VanDerWaalsContact C-N 3.25Å; H195-H197 PolarHBondContact O-N 2.84Å |
| 196 | G | 47 | Very low | 51 | Low | 56 Ų | 56 | 137.8 Ų | 137.8 | 58% | 0.577 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | -12.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115 | Y192 | Y192-G196 PolarHBondContact O-N 3.19Š|
| 197 | H | 48.6 | Very low | 50 | Low | 168 Ų | 168 | 139.4 Ų | 139.4 | 78% | 0.778 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.8 | -9.1 | -175.4 | -106 | -87.4 | 0 | 0 | 0 | 115.2 | H195 | H195-H197 VanDerWaalsContact C-N 3.25Å; H195-H197 PolarHBondContact O-N 2.84Å |
| 198 | H | 47 | Very low | 48.4 | Very low | 151 Ų | 151 | 139.9 Ų | 139.9 | 70% | 0.699 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -98.4 | -4.1 | -176.8 | -88.3 | -82 | 0 | 0 | 0 | 115.1 | ||
| 199 | T | 48.8 | Very low | 47.4 | Very low | 112 Ų | 112 | 145.1 Ų | 145.1 | 69% | 0.687 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -120.5 | 58.6 | -179.9 | 66.4 | 0 | 0 | 0 | 0 | 112.2 | ||
| 200 | K | 38.3 | Very low | 46.5 | Very low | 203 Ų | 203 | 143.4 Ų | 143.4 | 88% | 0.883 | 74% | 0.74 | S | S | * | * | trans | -161.8 | 105.2 | 156.9 | -105.1 | 156.4 | -169.2 | -175.4 | 0 | 109.9 | G202 | K200-G202 PolarHBondContact O-N 3.4Š| ||
| 201 | K | 46 | Very low | 45.3 | Very low | 224 Ų | 224 | 143.2 Ų | 143.2 | 97% | 0.974 | 75% | 0.748 | S | S | * | * | trans | -55.5 | 126.6 | 158.3 | -95.5 | 175.8 | 170.7 | 174.8 | 0 | 108.2 | ||||
| 202 | G | 42.6 | Very low | 44.3 | Very low | 64 Ų | 64 | 146.4 Ų | 146.4 | 66% | 0.66 | 77% | 0.765 | S | S | * | * | trans | 137.7 | 109.2 | 156.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | K200 | K200-G202 PolarHBondContact O-N 3.4Š| ||
| 203 | H | 34.2 | Very low | 43.3 | Very low | 184 Ų | 184 | 143 Ų | 143 | 85% | 0.852 | 77% | 0.765 | S | S | * | * | trans | 65 | 107.1 | 149.9 | -76.5 | 87.4 | 0 | 0 | 0 | 120.5 | ||||
| 204 | V | 43 | Very low | 42.5 | Very low | 137 Ų | 137 | 144.2 Ų | 144.2 | 83% | 0.83 | 77% | 0.771 | S | S | * | * | 36 | 101.9 | 127.4 | -171.3 | 0 | 0 | 0 | 0 | 117 | |||||
| 205 | A | 34.5 | Very low | 41.7 | Very low | 89 Ų | 89 | 143.8 Ų | 143.8 | 74% | 0.736 | 78% | 0.78 | S | S | * | * | -165.6 | 121.2 | 119.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | L207 | A205-L207 PolarHBondContact O-N 3.04Š| |||
| 206 | K | 41.8 | Very low | 40.7 | Very low | 179 Ų | 179 | 143.2 Ų | 143.2 | 78% | 0.778 | 79% | 0.791 | S | S | * | * | trans | -57.9 | 117.7 | 173.4 | 177.1 | 178.3 | 177.6 | 168.6 | 0 | 110.3 | ||||
| 207 | L | 42.2 | Very low | 40.2 | Very low | 168 Ų | 168 | 144.2 Ų | 144.2 | 88% | 0.88 | 80% | 0.801 | S | S | * | * | trans | -127.8 | 119.3 | 156.3 | -112.1 | 93.7 | 0 | 0 | 0 | 108.2 | A205 | A205-L207 PolarHBondContact O-N 3.04Š| ||
| 208 | D | 34.5 | Very low | 39.3 | Very low | 121 Ų | 121 | 143.8 Ų | 143.8 | 65% | 0.647 | 80% | 0.799 | S | S | * | * | trans | -61.5 | 127.3 | -170.3 | -78.4 | -35.4 | 0 | 0 | 0 | 112.7 | ||||
| 209 | L | 44.3 | Very low | 39.2 | Very low | 176 Ų | 176 | 142.8 Ų | 142.8 | 92% | 0.921 | 80% | 0.795 | S | S | * | * | trans | -95.8 | 78.8 | 163 | 179.7 | 72.5 | 0 | 0 | 0 | 107.1 | ||||
| 210 | E | 40.5 | Very low | 38.5 | Very low | 163 Ų | 163 | 144.3 Ų | 144.3 | 76% | 0.762 | 80% | 0.798 | S | S | * | * | trans | -142.9 | 109.6 | 171.6 | -110 | 171 | 119.7 | 0 | 0 | 110.3 | ||||
| 211 | C | 35.8 | Very low | 38.5 | Very low | 122 Ų | 122 | 139.4 Ų | 139.4 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | trans | 150.4 | 86.7 | 136.7 | -82.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 212 | M | 36.6 | Very low | 37.9 | Very low | 196 Ų | 196 | 134.4 Ų | 134.4 | 97% | 0.966 | 78% | 0.78 | S | S | * | * | trans | -128.4 | 84.2 | 139.5 | -80 | -174.9 | 87.9 | 0 | 0 | 107.3 | ||||
| 213 | V | 36.6 | Very low | 38.1 | Very low | 131 Ų | 131 | 138.7 Ų | 138.7 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | trans | -134.5 | 132.3 | 164.1 | -179.6 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 214 | P | 41.2 | Very low | 38.5 | Very low | 110 Ų | 110 | 135.6 Ų | 135.6 | 71% | 0.714 | 78% | 0.782 | S | S | * | * | trans | -83.8 | 158.1 | 175.7 | 35.4 | -31.3 | 0 | 0 | 0 | 110.3 | ||||
| 215 | V | 37.9 | Very low | 38.5 | Very low | 137 Ų | 137 | 134.5 Ų | 134.5 | 83% | 0.83 | 78% | 0.779 | S | S | * | * | trans | 87.8 | 91.2 | 165.5 | -167 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 216 | S | 33.5 | Very low | 38.8 | Very low | 117 Ų | 117 | 136.4 Ų | 136.4 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | 172.2 | 154.8 | 106.5 | 47.2 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 217 | G | 35.6 | Very low | 38.6 | Very low | 76 Ų | 76 | 137.1 Ų | 137.1 | 78% | 0.784 | 78% | 0.78 | S | S | * | * | trans | -65.6 | -177.8 | -161.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 218 | H | 30.9 | Very low | 38.4 | Very low | 159 Ų | 159 | 138 Ų | 138 | 74% | 0.736 | 78% | 0.781 | S | S | * | * | trans | 91.3 | 103.3 | 167.4 | -140.2 | 48.3 | 0 | 0 | 0 | 116.3 | ||||
| 219 | E | 43.6 | Very low | 38.8 | Very low | 131 Ų | 131 | 142.8 Ų | 142.8 | 61% | 0.612 | 79% | 0.791 | S | S | * | * | trans | 15.6 | 134.8 | 144 | 65.6 | -152.6 | -143.1 | 0 | 0 | 121.9 | ||||
| 220 | N | 35.3 | Very low | 38.6 | Very low | 143 Ų | 143 | 143.1 Ų | 143.1 | 77% | 0.765 | 79% | 0.787 | S | S | * | * | trans | 123.3 | 91.5 | 142.8 | -57.3 | -33.4 | 0 | 0 | 0 | 116.1 | ||||
| 221 | C | 37.1 | Very low | 38.1 | Very low | 101 Ų | 101 | 140.3 Ų | 140.3 | 68% | 0.682 | 79% | 0.792 | S | S | * | * | 69.2 | 117.7 | 127.1 | -154.3 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 222 | C | 33.2 | Very low | 37.9 | Very low | 118 Ų | 118 | 142.8 Ų | 142.8 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | trans | -125.7 | 116.8 | 147.1 | -107.8 | 0 | 0 | 0 | 0 | 109.6 | T224 | C222-T224 PolarHBondContact O-N 2.79Š| ||
| 223 | L | 47.6 | Very low | 38.1 | Very low | 155 Ų | 155 | 138.8 Ų | 138.8 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | 21.8 | -169.2 | -83 | 140.8 | 0 | 0 | 0 | 116.7 | ||
| 224 | T | 42.5 | Very low | 37.8 | Very low | 118 Ų | 118 | 136 Ų | 136 | 72% | 0.724 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.8 | -13.2 | -173.7 | -38.8 | 0 | 0 | 0 | 0 | 113.5 | C222 | C222-T224 PolarHBondContact O-N 2.79Š|
| 225 | C | 44.3 | Very low | 37.2 | Very low | 115 Ų | 115 | 134.5 Ų | 134.5 | 78% | 0.777 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -84.1 | -12 | 178.6 | -72.9 | 0 | 0 | 0 | 0 | 114.6 | ||
| 226 | D | 39.5 | Very low | 36.8 | Very low | 128 Ų | 128 | 133.1 Ų | 133.1 | 68% | 0.684 | 79% | 0.786 | S | S | * | * | G | 310 helix | trans | -79.7 | -20 | -177.9 | -148.9 | -107.3 | 0 | 0 | 0 | 112.8 | M228 R229 | D226-M228 VanDerWaalsContact C-N 3.31Å; D226-M228 PolarHBondContact O-N 3.14Å; D226-R229 PolarHBondContact O-N 2.96Å |
| 227 | K | 37.6 | Very low | 36.6 | Very low | 195 Ų | 195 | 131.3 Ų | 131.3 | 85% | 0.848 | 79% | 0.786 | S | S | * | * | G | 310 helix | trans | -82.4 | 4 | -174.2 | -156.9 | 167.8 | -177.9 | 176.8 | 0 | 115.5 | ||
| 228 | M | 38.2 | Very low | 36.3 | Very low | 185 Ų | 185 | 131.8 Ų | 131.8 | 91% | 0.911 | 79% | 0.79 | S | S | * | * | G | 310 helix | trans | -110.7 | 3.5 | 171.4 | -73.6 | -159.9 | -68.5 | 0 | 0 | 114 | D226 | D226-M228 VanDerWaalsContact C-N 3.31Å; D226-M228 PolarHBondContact O-N 3.14Å |
| 229 | R | 42.8 | Very low | 36.3 | Very low | 223 Ų | 223 | 127.6 Ų | 127.6 | 84% | 0.842 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -106.5 | 3.2 | -174.5 | -150.8 | 173.4 | 173.4 | 163.9 | -1.1 | 115.7 | D226 | D226-R229 PolarHBondContact O-N 2.96Š|
| 230 | Q | 40.1 | Very low | 35.9 | Very low | 183 Ų | 183 | 127.4 Ų | 127.4 | 86% | 0.855 | 79% | 0.793 | S | S | * | * | trans | -136.6 | 89 | 172.2 | -69.1 | -168.9 | 27.7 | 0 | 0 | 112.6 | ||||
| 231 | A | 30.1 | Very low | 35.9 | Very low | 104 Ų | 104 | 128.3 Ų | 128.3 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | trans | -153.6 | 81.5 | 148.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 232 | E | 31.6 | Very low | 36.1 | Very low | 173 Ų | 173 | 130 Ų | 130 | 81% | 0.808 | 79% | 0.791 | S | S | * | * | trans | -65.4 | 173.3 | 157.6 | -101.1 | -87.3 | 104.4 | 0 | 0 | 110.1 | ||||
| 233 | P | 41.4 | Very low | 36.1 | Very low | 112 Ų | 112 | 131.9 Ų | 131.9 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | cis | -132.7 | 164.2 | -4.4 | 37 | -19.8 | 0 | 0 | 0 | 114.3 | ||||
| 234 | G | 29 | Very low | 35.4 | Very low | 73 Ų | 73 | 129 Ų | 129 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | trans | 136.4 | 105.8 | 147.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 235 | G | 30 | Very low | 35.2 | Very low | 78 Ų | 78 | 130.5 Ų | 130.5 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | 96.2 | 108.2 | 138 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 236 | A | 29.9 | Very low | 35.1 | Very low | 109 Ų | 109 | 131.4 Ų | 131.4 | 90% | 0.901 | 79% | 0.789 | S | S | * | * | trans | 70.4 | 113.1 | 144 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 237 | G | 29.3 | Very low | 34.9 | Very low | 79 Ų | 79 | 132.8 Ų | 132.8 | 81% | 0.814 | 79% | 0.792 | S | S | * | * | 101.9 | 119.9 | 122.8 | 0 | 0 | 0 | 0 | 0 | 118 | |||||
| 238 | G | 28.8 | Very low | 34.8 | Very low | 86 Ų | 86 | 134.3 Ų | 134.3 | 89% | 0.887 | 79% | 0.792 | S | S | * | * | trans | 77.6 | 127.3 | 157.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 239 | G | 30.4 | Very low | 34.5 | Very low | 70 Ų | 70 | 129 Ų | 129 | 72% | 0.722 | 78% | 0.784 | S | S | * | * | cis | 130.3 | 125.3 | 33.6 | 0 | 0 | 0 | 0 | 0 | 106 | ||||
| 240 | D | 34.7 | Very low | 34 | Very low | 128 Ų | 128 | 127.3 Ų | 127.3 | 68% | 0.684 | 79% | 0.789 | S | S | * | * | trans | 72.6 | 110.6 | 154.7 | -74.3 | 5.1 | 0 | 0 | 0 | 120.1 | ||||
| 241 | K | 36 | Very low | 33.7 | Very low | 161 Ų | 161 | 130 Ų | 130 | 70% | 0.7 | 79% | 0.792 | S | S | * | * | 106.4 | 129.6 | 105.6 | -88.4 | 176.2 | -171.7 | 140.6 | 0 | 118.9 | |||||
| 242 | I | 40.9 | Very low | 34 | Very low | 138 Ų | 138 | 130.9 Ų | 130.9 | 71% | 0.708 | 79% | 0.792 | S | S | * | * | trans | 85.1 | 119.3 | 138.8 | -61.6 | 156.9 | 0 | 0 | 0 | 115.7 | ||||
| 243 | L | 34 | Very low | 34.1 | Very low | 157 Ų | 157 | 125.8 Ų | 125.8 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | -166.1 | 115.8 | 116.1 | -88.5 | 176 | 0 | 0 | 0 | 106.2 | |||||
| 244 | S | 31.8 | Very low | 33.7 | Very low | 94 Ų | 94 | 130.1 Ų | 130.1 | 66% | 0.657 | 80% | 0.796 | S | S | * | * | 94.8 | 120.2 | 87.8 | -174.6 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 245 | L | 39 | Very low | 33.9 | Very low | 149 Ų | 149 | 130 Ų | 130 | 78% | 0.78 | 80% | 0.795 | S | S | * | * | -176.8 | 109.2 | 119.1 | -143.7 | 67.7 | 0 | 0 | 0 | 111.1 | |||||
| 246 | V | 41.6 | Very low | 34 | Very low | 134 Ų | 134 | 134.1 Ų | 134.1 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | trans | -90.7 | 112.1 | 157.4 | 176.7 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 247 | H | 35.4 | Very low | 34.6 | Very low | 158 Ų | 158 | 137.1 Ų | 137.1 | 73% | 0.731 | 79% | 0.791 | S | S | * | * | trans | -104 | 116.5 | 174.4 | -176.7 | -74 | 0 | 0 | 0 | 109.6 | ||||
| 248 | W | 36 | Very low | 34.8 | Very low | 227 Ų | 227 | 140.1 Ų | 140.1 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | trans | -67.1 | 129.7 | 173.9 | -91.2 | 68.2 | 0 | 0 | 0 | 111.2 | ||||
| 249 | G | 32.6 | Very low | 34.9 | Very low | 72 Ų | 72 | 146 Ų | 146 | 74% | 0.742 | 79% | 0.785 | S | S | * | * | trans | -79.6 | 131.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 250 | M | 32 | Very low | 35 | Very low | 189 Ų | 189 | 152.9 Ų | 152.9 | 93% | 0.931 | 81% | 0.812 | S | S | * | * | trans | -117.1 | 112.6 | 170.6 | -154.3 | 163.5 | 74 | 0 | 0 | 106.5 | ||||
| 251 | Y | 34.1 | Very low | 35 | Very low | 239 Ų | 239 | 154.1 Ų | 154.1 | 94% | 0.937 | 82% | 0.819 | S | S | * | * | trans | -93.3 | 119.5 | -179.3 | -119.8 | -94.8 | 0 | 0 | 0 | 109.5 | ||||
| 252 | S | 34.9 | Very low | 35 | Very low | 122 Ų | 122 | 153.7 Ų | 153.7 | 85% | 0.853 | 83% | 0.825 | S | S | * | * | trans | -143.9 | 130.1 | 165.7 | 176 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 253 | G | 33.3 | Very low | 34.6 | Very low | 66 Ų | 66 | 154.6 Ų | 154.6 | 68% | 0.68 | 83% | 0.832 | S | S | * | * | trans | 118.9 | 86 | 162.8 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 254 | H | 34 | Very low | 34.7 | Very low | 204 Ų | 204 | 154.5 Ų | 154.5 | 94% | 0.944 | 83% | 0.832 | S | S | * | * | 40.9 | 118.5 | 123.2 | -134.2 | -97.5 | 0 | 0 | 0 | 119.9 | |||||
| 255 | G | 33.8 | Very low | 34.8 | Very low | 70 Ų | 70 | 158.3 Ų | 158.3 | 72% | 0.722 | 84% | 0.843 | S | S | * | * | trans | 149.3 | 107.1 | 147.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 256 | K | 31.9 | Very low | 34.6 | Very low | 164 Ų | 164 | 158.9 Ų | 158.9 | 71% | 0.713 | 85% | 0.847 | S | S | * | * | trans | 91.1 | 91.2 | 148.9 | -133.4 | 177.6 | -167 | -138.5 | 0 | 118.8 | E258 | K256-E258 VanDerWaalsContact CE-CD 3.44Å; K256-E258 WeakPolarHBondContact CE-OE1 3.3Å; K256-E258 HydrophobicContact CG-CG 4.26Å; K256-E258 IonicContact NZ-OE1 3.62Å; K256-E258 PolarHBondContact NZ-OE1 3.29Å; K256-E258 IonicContact NZ-OE2 3.56Å; K256-E258 PolarHBondContact NZ-OE2 2.84Å | ||
| 257 | L | 42.7 | Very low | 34.1 | Very low | 172 Ų | 172 | 160.6 Ų | 160.6 | 90% | 0.901 | 85% | 0.85 | S | S | * | * | trans | -74.4 | 128.2 | 144.9 | -83.4 | 127.2 | 0 | 0 | 0 | 108.5 | ||||
| 258 | E | 32.7 | Very low | 34 | Very low | 142 Ų | 142 | 160.8 Ų | 160.8 | 66% | 0.664 | 86% | 0.859 | S | S | * | * | trans | -136.2 | 116.7 | 153.3 | -76.5 | -177.3 | 166.8 | 0 | 0 | 108.5 | K256 | K256-E258 VanDerWaalsContact CE-CD 3.44Å; K256-E258 WeakPolarHBondContact CE-OE1 3.3Å; K256-E258 HydrophobicContact CG-CG 4.26Å; K256-E258 IonicContact NZ-OE1 3.62Å; K256-E258 PolarHBondContact NZ-OE1 3.29Å; K256-E258 IonicContact NZ-OE2 3.56Å; K256-E258 PolarHBondContact NZ-OE2 2.84Å | ||
| 259 | F | 31.7 | Very low | 33.8 | Very low | 210 Ų | 210 | 155.3 Ų | 155.3 | 92% | 0.921 | 86% | 0.859 | S | S | * | * | trans | -123.9 | 128.5 | 153.2 | -100.1 | -84.4 | 0 | 0 | 0 | 105.5 | ||||
| 260 | V | 32.1 | Very low | 33.9 | Very low | 214 Ų | 214 | 162.9 Ų | 162.9 | 100% | 1.297 | 87% | 0.869 | S | S | * | * | trans | 80.8 | 0 | -171.4 | -171.7 | 0 | 0 | 0 | 0 | 115.1 |
Retrieved 260 of 260 residues in 357.8 ms
(Link to these results)