| 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 | 38.8 | Very low | 43.8 | Very low | 233 Ų | 233 | 136.5 Ų | 136.5 | 100% | 1.148 | 74% | 0.737 | S | S | * | * | 0 | 117.3 | 0 | -72.9 | 175.2 | 168.9 | 0 | 0 | 108.1 | |||||
| 2 | T | 37 | Very low | 45.5 | Very low | 128 Ų | 128 | 132 Ų | 132 | 79% | 0.785 | 72% | 0.723 | S | S | * | * | trans | -134.8 | 108.6 | 179.2 | 44.1 | 0 | 0 | 0 | 0 | 108.4 | T4 | T2-T4 PolarHBondContact O-N 3.13Š| ||
| 3 | H | 39.9 | Very low | 46.9 | Very low | 180 Ų | 180 | 125.7 Ų | 125.7 | 83% | 0.833 | 69% | 0.688 | S | S | * | * | trans | -76.9 | 88.5 | 178 | -73.2 | -90.2 | 0 | 0 | 0 | 110.2 | V5 | H3-V5 PolarHBondContact O-N 3.14Å; H3-V5 VanDerWaalsContact O-N 3.08Å | ||
| 4 | T | 38.1 | Very low | 48.5 | Very low | 130 Ų | 130 | 117.1 Ų | 117.1 | 80% | 0.798 | 64% | 0.641 | S | S | * | * | trans | -69.6 | 101.5 | 163.6 | 43.4 | 0 | 0 | 0 | 0 | 108.9 | T2 C6 | T2-T4 PolarHBondContact O-N 3.13Å; T4-C6 PolarHBondContact O-N 3.03Å | ||
| 5 | V | 36.8 | Very low | 49.4 | Very low | 125 Ų | 125 | 115.7 Ų | 115.7 | 76% | 0.758 | 64% | 0.637 | S | S | * | * | trans | -66.3 | 97.5 | 175 | 179.2 | 0 | 0 | 0 | 0 | 108.6 | H3 T7 | H3-V5 PolarHBondContact O-N 3.14Å; H3-V5 VanDerWaalsContact O-N 3.08Å; V5-T7 PolarHBondContact O-N 3.11Å; V5-T7 VanDerWaalsContact O-N 3.07Å | ||
| 6 | C | 38.1 | Very low | 50.2 | Low | 114 Ų | 114 | 115.7 Ų | 115.7 | 77% | 0.77 | 63% | 0.625 | S | S | * | * | trans | -66.1 | 107.9 | 168.4 | -171.5 | 0 | 0 | 0 | 0 | 108.1 | T4 Q8 | T4-C6 PolarHBondContact O-N 3.03Å; C6-Q8 PolarHBondContact O-N 2.82Å; C6-Q8 VanDerWaalsContact O-N 3.08Å | ||
| 7 | T | 40 | Very low | 51.3 | Low | 100 Ų | 100 | 108.9 Ų | 108.9 | 61% | 0.613 | 59% | 0.588 | S | S | * | * | trans | -63.6 | 110.7 | 179.8 | 49 | 0 | 0 | 0 | 0 | 109.4 | V5 L9 | V5-T7 PolarHBondContact O-N 3.11Å; V5-T7 VanDerWaalsContact O-N 3.07Å; T7-L9 PolarHBondContact O-N 3.29Å | ||
| 8 | Q | 44.6 | Very low | 52.2 | Low | 159 Ų | 159 | 109.4 Ų | 109.4 | 74% | 0.743 | 58% | 0.58 | S | S | * | * | trans | -67.5 | 80.4 | 176.4 | -66.7 | -177.2 | 4.8 | 0 | 0 | 110.8 | C6 K10 | C6-Q8 PolarHBondContact O-N 2.82Å; C6-Q8 VanDerWaalsContact O-N 3.08Å; Q8-K10 VanDerWaalsContact C-N 3.31Å; Q8-K10 PolarHBondContact O-N 3.41Å | ||
| 9 | L | 48.4 | Very low | 53 | Low | 149 Ų | 149 | 106.7 Ų | 106.7 | 78% | 0.78 | 58% | 0.575 | S | S | * | * | trans | -70.4 | 89.4 | 170.9 | -67.9 | 177.5 | 0 | 0 | 0 | 108.6 | T7 | T7-L9 PolarHBondContact O-N 3.29Š| ||
| 10 | K | 59.7 | Low | 53.6 | Low | 149 Ų | 149 | 105.6 Ų | 105.6 | 65% | 0.648 | 57% | 0.568 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 138.3 | 176.8 | -68.1 | 175 | -178.5 | 174.7 | 0 | 109.6 | Q8 | Q8-K10 VanDerWaalsContact C-N 3.31Å; Q8-K10 PolarHBondContact O-N 3.41Å |
| 11 | P | 60.4 | Low | 54.1 | Low | 35 Ų | 35 | 103.3 Ų | 103.3 | 23% | 0.227 | 56% | 0.558 | C | S | . | * | P | Polyproline II helix | trans | -56.8 | 148.6 | 177 | -21.8 | 30.8 | 0 | 0 | 0 | 111.7 | L13 F368 F381 | P11-L13 PolarHBondContact O-N 3.3Å; P11-F368 HydrophobicContact CB-CD2 4.3Å; P11-F368 HydrophobicContact CB-CE1 4.25Å; P11-F368 HydrophobicContact CB-CE2 3.73Å; P11-F368 HydrophobicContact CB-CZ 3.72Å; P11-F368 HydrophobicContact CG-CD1 4.35Å; P11-F368 HydrophobicContact CG-CD2 4.39Å; P11-F368 HydrophobicContact CG-CE1 4.18Å; P11-F368 HydrophobicContact CG-CE2 4.23Å; P11-F368 HydrophobicContact CG-CG 4.47Å; P11-F368 HydrophobicContact CG-CZ 4.15Å; P11-F368 VanDerWaalsContact O-CE2 3.27Å; P11-F368 WeakPolarHBondContact O-CE2 3.42Å; P11-F381 HydrophobicContact CG-CD1 3.9Å; P11-F381 HydrophobicContact CG-CD2 4.33Å; P11-F381 HydrophobicContact CG-CE1 3.64Å; P11-F381 HydrophobicContact CG-CE2 4.08Å; P11-F381 HydrophobicContact CG-CG 4.23Å; P11-F381 HydrophobicContact CG-CZ 3.74Å |
| 12 | S | 63.7 | Low | 55.3 | Low | 82 Ų | 82 | 97.2 Ų | 97.2 | 57% | 0.573 | 53% | 0.53 | S | S | * | . | P | Polyproline II helix | trans | -60.1 | 120.3 | -179.2 | 130.6 | 0 | 0 | 0 | 0 | 110.3 | R18 | S12-R18 PolarHBondContact OG-NH2 2.8Š|
| 13 | L | 64.9 | Low | 56.7 | Low | 50 Ų | 50 | 96.7 Ų | 96.7 | 26% | 0.262 | 52% | 0.517 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 142.7 | 177.1 | -64.7 | 175.3 | 0 | 0 | 0 | 111.4 | P11 T17 R18 F368 | P11-L13 PolarHBondContact O-N 3.3Å; L13-T17 HydrophobicContact CB-CG2 4.21Å; L13-T17 HydrophobicContact CD1-CG2 4.04Å; L13-T17 HydrophobicContact CD2-CG2 4.23Å; L13-T17 HydrophobicContact CG-CG2 4.4Å; L13-R18 HydrophobicContact CB-CG 4.19Å; L13-R18 PolarHBondContact O-NE 3.28Å; L13-R18 PolarHBondContact O-NH2 3.29Å; L13-F368 HydrophobicContact CD2-CD2 3.81Å; L13-F368 HydrophobicContact CD2-CE2 3.77Å |
| 14 | S | 68.4 | Low | 57.8 | Low | 5 Ų | 5 | 91.1 Ų | 91.1 | 4% | 0.035 | 50% | 0.498 | C | S | . | . | trans | -45.6 | 142.6 | 170.8 | 162.1 | 0 | 0 | 0 | 0 | 112.9 | R16 T17 R18 E411 | S14-R16 PolarHBondContact O-N 3.23Å; S14-R16 VanDerWaalsContact O-N 3.12Å; S14-R16 WeakPolarHBondContact OG-CB 3.49Å; S14-R16 PolarHBondContact OG-N 3.49Å; S14-R16 VanDerWaalsContact OG-N 3.11Å; S14-T17 WeakPolarHBondContact O-CA 3.48Å; S14-T17 WeakPolarHBondContact O-CB 3.49Å; S14-T17 PolarHBondContact O-N 3.22Å; S14-R18 WeakPolarHBondContact O-CG 3.34Å; S14-R18 PolarHBondContact O-N 3.1Å; S14-E411 WeakPolarHBondContact CA-OE2 3.44Å; S14-E411 WeakPolarHBondContact CB-OE1 3.11Å; S14-E411 PolarHBondContact OG-OE1 2.71Å | ||
| 15 | V | 61.8 | Low | 58.9 | Low | 96 Ų | 96 | 91.3 Ų | 91.3 | 58% | 0.582 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -50.8 | -37.2 | 173.1 | 177.5 | 0 | 0 | 0 | 0 | 111.4 | R18 A19 E411 | V15-R18 PolarHBondContact O-N 3.02Å; V15-A19 WeakPolarHBondContact O-CB 3.49Å; V15-A19 PolarHBondContact O-N 3.46Å; V15-E411 PolarHBondContact N-OE2 3.31Å |
| 16 | R | 62.4 | Low | 60 | Low | 116 Ų | 116 | 89 Ų | 89 | 44% | 0.438 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -68.1 | -39.8 | 177.8 | -167.2 | -176.5 | -174.5 | 97.9 | -6.7 | 112.1 | S14 L20 T363 P365 | S14-R16 PolarHBondContact O-N 3.23Å; S14-R16 VanDerWaalsContact O-N 3.12Å; S14-R16 WeakPolarHBondContact OG-CB 3.49Å; S14-R16 PolarHBondContact OG-N 3.49Å; S14-R16 VanDerWaalsContact OG-N 3.11Å; R16-L20 PolarHBondContact O-N 2.84Å; R16-T363 PolarHBondContact NE-O 3.37Å; R16-P365 HydrophobicContact CG-CG 4.46Å |
| 17 | T | 68.3 | Low | 61.2 | Low | 1 Ų | 1 | 92 Ų | 92 | 1% | 0.006 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -67.8 | -43.4 | 174.2 | -58.1 | 0 | 0 | 0 | 0 | 111.1 | L13 S14 A19 L20 T21 H366 | L13-T17 HydrophobicContact CB-CG2 4.21Å; L13-T17 HydrophobicContact CD1-CG2 4.04Å; L13-T17 HydrophobicContact CD2-CG2 4.23Å; L13-T17 HydrophobicContact CG-CG2 4.4Å; S14-T17 WeakPolarHBondContact O-CA 3.48Å; S14-T17 WeakPolarHBondContact O-CB 3.49Å; S14-T17 PolarHBondContact O-N 3.22Å; T17-A19 VanDerWaalsContact C-N 3.32Å; T17-A19 PolarHBondContact O-N 2.85Å; T17-L20 PolarHBondContact O-N 3.15Å; T17-L20 VanDerWaalsContact O-N 3.16Å; T17-T21 HydrophobicContact CG2-CG2 4.44Å; T17-T21 PolarHBondContact O-N 2.83Å; T17-T21 PolarHBondContact O-OG1 2.97Å; T17-H366 VanDerWaalsContact CG2-O 3.24Å; T17-H366 WeakPolarHBondContact CG2-O 3.33Å; T17-H366 PolarHBondContact OG1-N 2.94Å; T17-H366 PolarHBondContact OG1-O 2.68Å |
| 18 | R | 68.5 | Low | 62.2 | Low | 117 Ų | 117 | 92.3 Ų | 92.3 | 44% | 0.442 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -58.1 | -43.2 | 174.1 | -63.8 | -177.6 | -162.1 | -162.8 | 6.4 | 111.6 | S12 L13 S14 V15 L20 T21 N22 | S12-R18 PolarHBondContact OG-NH2 2.8Å; L13-R18 HydrophobicContact CB-CG 4.19Å; L13-R18 PolarHBondContact O-NE 3.28Å; L13-R18 PolarHBondContact O-NH2 3.29Å; S14-R18 WeakPolarHBondContact O-CG 3.34Å; S14-R18 PolarHBondContact O-N 3.1Å; V15-R18 PolarHBondContact O-N 3.02Å; R18-L20 VanDerWaalsContact C-N 3.33Å; R18-L20 PolarHBondContact O-N 3.2Å; R18-T21 WeakPolarHBondContact CA-OG1 3.4Å; R18-T21 PolarHBondContact O-N 2.77Å; R18-T21 PolarHBondContact O-OG1 3.23Å; R18-N22 WeakPolarHBondContact O-CB 3.42Å; R18-N22 PolarHBondContact O-N 3.31Å |
| 19 | A | 66.4 | Low | 63 | Low | 58 Ų | 58 | 86.9 Ų | 86.9 | 48% | 0.479 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63.3 | -36.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | V15 T17 K23 | V15-A19 WeakPolarHBondContact O-CB 3.49Å; V15-A19 PolarHBondContact O-N 3.46Å; T17-A19 VanDerWaalsContact C-N 3.32Å; T17-A19 PolarHBondContact O-N 2.85Å; A19-K23 VanDerWaalsContact O-CB 3.29Å; A19-K23 WeakPolarHBondContact O-CB 3.47Å; A19-K23 PolarHBondContact O-N 3.3Å |
| 20 | L | 65.3 | Low | 63.7 | Low | 85 Ų | 85 | 84.7 Ų | 84.7 | 45% | 0.445 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -76.1 | -38.4 | 178 | -74.5 | 169.4 | 0 | 0 | 0 | 113.3 | R16 T17 R18 K23 S24 P365 | R16-L20 PolarHBondContact O-N 2.84Å; T17-L20 PolarHBondContact O-N 3.15Å; T17-L20 VanDerWaalsContact O-N 3.16Å; R18-L20 VanDerWaalsContact C-N 3.33Å; R18-L20 PolarHBondContact O-N 3.2Å; L20-K23 CarbonylContact O-C 3.59Å; L20-K23 PolarHBondContact O-N 3.46Å; L20-S24 PolarHBondContact O-N 3.18Å; L20-S24 PolarHBondContact O-OG 2.9Å; L20-P365 HydrophobicContact CD1-CB 3.61Å; L20-P365 HydrophobicContact CD1-CG 3.24Å |
| 21 | T | 64.5 | Low | 64.2 | Low | 58 Ų | 58 | 84.4 Ų | 84.4 | 36% | 0.356 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -66.1 | -40.1 | 173.2 | 48.5 | 0 | 0 | 0 | 0 | 111.3 | T17 R18 K23 S24 H25 | T17-T21 HydrophobicContact CG2-CG2 4.44Å; T17-T21 PolarHBondContact O-N 2.83Å; T17-T21 PolarHBondContact O-OG1 2.97Å; R18-T21 WeakPolarHBondContact CA-OG1 3.4Å; R18-T21 PolarHBondContact O-N 2.77Å; R18-T21 PolarHBondContact O-OG1 3.23Å; T21-K23 VanDerWaalsContact C-N 3.3Å; T21-K23 PolarHBondContact O-N 3.35Å; T21-S24 PolarHBondContact O-N 3Å; T21-S24 PolarHBondContact O-OG 3.24Å; T21-H25 VanDerWaalsContact O-CB 3.3Å; T21-H25 WeakPolarHBondContact O-CB 3.29Å; T21-H25 PolarHBondContact O-N 3.07Å |
| 22 | N | 63.3 | Low | 64.6 | Low | 105 Ų | 105 | 88.2 Ų | 88.2 | 56% | 0.561 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -63.8 | -35.3 | 170.4 | -70.3 | -9 | 0 | 0 | 0 | 112.1 | R18 T26 | R18-N22 WeakPolarHBondContact O-CB 3.42Å; R18-N22 PolarHBondContact O-N 3.31Å; N22-T26 WeakPolarHBondContact O-CB 3.36Å; N22-T26 WeakPolarHBondContact O-CG2 3.43Å; N22-T26 PolarHBondContact O-N 3.37Å; N22-T26 PolarHBondContact O-OG1 3.44Å |
| 23 | K | 66.4 | Low | 64.3 | Low | 117 Ų | 117 | 86.6 Ų | 86.6 | 51% | 0.509 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -72.7 | -30.4 | 176.1 | -167.6 | 166 | -174.1 | 170.6 | 0 | 113.9 | A19 L20 T21 T26 R27 | A19-K23 VanDerWaalsContact O-CB 3.29Å; A19-K23 WeakPolarHBondContact O-CB 3.47Å; A19-K23 PolarHBondContact O-N 3.3Å; L20-K23 CarbonylContact O-C 3.59Å; L20-K23 PolarHBondContact O-N 3.46Å; T21-K23 VanDerWaalsContact C-N 3.3Å; T21-K23 PolarHBondContact O-N 3.35Å; K23-T26 WeakPolarHBondContact CA-OG1 3.37Å; K23-T26 PolarHBondContact O-OG1 3.38Å; K23-R27 WeakPolarHBondContact O-CB 3.28Å; K23-R27 WeakPolarHBondContact O-CD 3.33Å; K23-R27 VanDerWaalsContact O-CG 3.23Å; K23-R27 WeakPolarHBondContact O-CG 3.42Å; K23-R27 PolarHBondContact O-N 2.95Å |
| 24 | S | 62.8 | Low | 64.2 | Low | 63 Ų | 63 | 89.8 Ų | 89.8 | 44% | 0.441 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -76 | -40.9 | 170.4 | 57 | 0 | 0 | 0 | 0 | 111.1 | L20 T21 R27 L28 | L20-S24 PolarHBondContact O-N 3.18Å; L20-S24 PolarHBondContact O-OG 2.9Å; T21-S24 PolarHBondContact O-N 3Å; T21-S24 PolarHBondContact O-OG 3.24Å; S24-R27 WeakPolarHBondContact O-CB 3.25Å; S24-R27 PolarHBondContact O-N 2.89Å; S24-L28 WeakPolarHBondContact O-CG 3.44Å; S24-L28 PolarHBondContact O-N 3.03Å |
| 25 | H | 61.4 | Low | 64.1 | Low | 134 Ų | 134 | 94.2 Ų | 94.2 | 62% | 0.62 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61.4 | -46.5 | 176.7 | -163 | -92.1 | 0 | 0 | 0 | 112.2 | T21 R27 L28 A29 | T21-H25 VanDerWaalsContact O-CB 3.3Å; T21-H25 WeakPolarHBondContact O-CB 3.29Å; T21-H25 PolarHBondContact O-N 3.07Å; H25-R27 VanDerWaalsContact C-N 3.34Å; H25-R27 PolarHBondContact O-N 3.09Å; H25-L28 PolarHBondContact O-N 3.1Å; H25-A29 WeakPolarHBondContact O-CB 3.25Å; H25-A29 PolarHBondContact O-N 2.8Å |
| 26 | T | 61 | Low | 64.2 | Low | 76 Ų | 76 | 92.2 Ų | 92.2 | 47% | 0.466 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.4 | -35.9 | 174.1 | 46.7 | 0 | 0 | 0 | 0 | 112.9 | N22 K23 A29 N30 | N22-T26 WeakPolarHBondContact O-CB 3.36Å; N22-T26 WeakPolarHBondContact O-CG2 3.43Å; N22-T26 PolarHBondContact O-N 3.37Å; N22-T26 PolarHBondContact O-OG1 3.44Å; K23-T26 WeakPolarHBondContact CA-OG1 3.37Å; K23-T26 PolarHBondContact O-OG1 3.38Å; T26-A29 PolarHBondContact O-N 3.29Å; T26-N30 WeakPolarHBondContact O-CB 3.49Å; T26-N30 PolarHBondContact O-N 3.09Å; T26-N30 PolarHBondContact O-OD1 3.33Å |
| 27 | R | 63.1 | Low | 64.3 | Low | 178 Ų | 178 | 90.6 Ų | 90.6 | 67% | 0.672 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -64.9 | -38.7 | 172.7 | -80.4 | 173.2 | 167.4 | -166.4 | -6.3 | 112.6 | K23 S24 H25 K31 | K23-R27 WeakPolarHBondContact O-CB 3.28Å; K23-R27 WeakPolarHBondContact O-CD 3.33Å; K23-R27 VanDerWaalsContact O-CG 3.23Å; K23-R27 WeakPolarHBondContact O-CG 3.42Å; K23-R27 PolarHBondContact O-N 2.95Å; S24-R27 WeakPolarHBondContact O-CB 3.25Å; S24-R27 PolarHBondContact O-N 2.89Å; H25-R27 VanDerWaalsContact C-N 3.34Å; H25-R27 PolarHBondContact O-N 3.09Å; R27-K31 WeakPolarHBondContact O-CB 3.39Å; R27-K31 PolarHBondContact O-N 3.27Å |
| 28 | L | 61.8 | Low | 64.1 | Low | 106 Ų | 106 | 93.3 Ų | 93.3 | 56% | 0.555 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -69.8 | -43.8 | 175.3 | -71 | 172 | 0 | 0 | 0 | 111.3 | S24 H25 N30 K31 L32 | S24-L28 WeakPolarHBondContact O-CG 3.44Å; S24-L28 PolarHBondContact O-N 3.03Å; H25-L28 PolarHBondContact O-N 3.1Å; L28-N30 PolarHBondContact O-N 2.99Å; L28-K31 WeakPolarHBondContact O-CB 3.42Å; L28-K31 PolarHBondContact O-N 2.81Å; L28-K31 VanDerWaalsContact O-N 3.1Å; L28-L32 WeakPolarHBondContact O-CG 3.39Å; L28-L32 PolarHBondContact O-N 2.92Å |
| 29 | A | 60 | Low | 63.9 | Low | 45 Ų | 45 | 92.9 Ų | 92.9 | 37% | 0.372 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -58.2 | -47.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | H25 T26 K31 L32 S33 | H25-A29 WeakPolarHBondContact O-CB 3.25Å; H25-A29 PolarHBondContact O-N 2.8Å; T26-A29 PolarHBondContact O-N 3.29Å; A29-K31 VanDerWaalsContact C-N 3.29Å; A29-K31 PolarHBondContact O-N 2.77Å; A29-L32 PolarHBondContact O-N 2.88Å; A29-S33 PolarHBondContact O-N 2.88Å |
| 30 | N | 64.3 | Low | 63.8 | Low | 102 Ų | 102 | 94 Ų | 94 | 55% | 0.545 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65 | -31.3 | 175.2 | -68.6 | 5.3 | 0 | 0 | 0 | 112.6 | T26 L28 S33 L34 | T26-N30 WeakPolarHBondContact O-CB 3.49Å; T26-N30 PolarHBondContact O-N 3.09Å; T26-N30 PolarHBondContact O-OD1 3.33Å; L28-N30 PolarHBondContact O-N 2.99Å; N30-S33 WeakPolarHBondContact CA-OG 3.42Å; N30-S33 PolarHBondContact O-OG 3.17Å; N30-S33 VanDerWaalsContact O-OG 3.06Å; N30-L34 WeakPolarHBondContact O-CB 3.36Å; N30-L34 VanDerWaalsContact O-CG 3.22Å; N30-L34 WeakPolarHBondContact O-CG 3.49Å; N30-L34 PolarHBondContact O-N 3.42Å; N30-L34 VanDerWaalsContact O-N 3.1Å |
| 31 | K | 69.9 | Low | 63.6 | Low | 144 Ų | 144 | 94.8 Ų | 94.8 | 63% | 0.626 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -71.5 | -37.7 | 174.8 | -166.3 | 178.4 | -178.4 | -174.2 | 0 | 111.3 | R27 L28 A29 L35 | R27-K31 WeakPolarHBondContact O-CB 3.39Å; R27-K31 PolarHBondContact O-N 3.27Å; L28-K31 WeakPolarHBondContact O-CB 3.42Å; L28-K31 PolarHBondContact O-N 2.81Å; L28-K31 VanDerWaalsContact O-N 3.1Å; A29-K31 VanDerWaalsContact C-N 3.29Å; A29-K31 PolarHBondContact O-N 2.77Å; K31-L35 WeakPolarHBondContact O-CG 3.42Å; K31-L35 PolarHBondContact O-N 3.18Å |
| 32 | L | 68.6 | Low | 63.5 | Low | 115 Ų | 115 | 100.9 Ų | 100.9 | 60% | 0.602 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -68.9 | -40.4 | 174 | -70 | 169.5 | 0 | 0 | 0 | 111.7 | L28 A29 L35 S36 | L28-L32 WeakPolarHBondContact O-CG 3.39Å; L28-L32 PolarHBondContact O-N 2.92Å; A29-L32 PolarHBondContact O-N 2.88Å; L32-L35 WeakPolarHBondContact O-CB 3.21Å; L32-L35 PolarHBondContact O-N 3.16Å; L32-L35 VanDerWaalsContact O-N 3.16Å; L32-S36 PolarHBondContact O-N 3.05Å; L32-S36 PolarHBondContact O-OG 2.65Å |
| 33 | S | 57.8 | Low | 63.1 | Low | 47 Ų | 47 | 102.2 Ų | 102.2 | 33% | 0.329 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.4 | -44.1 | 176.4 | 75.4 | 0 | 0 | 0 | 0 | 111.5 | A29 N30 L35 S36 D37 | A29-S33 PolarHBondContact O-N 2.88Å; N30-S33 WeakPolarHBondContact CA-OG 3.42Å; N30-S33 PolarHBondContact O-OG 3.17Å; N30-S33 VanDerWaalsContact O-OG 3.06Å; S33-L35 PolarHBondContact O-N 3.27Å; S33-S36 WeakPolarHBondContact CA-OG 3.41Å; S33-S36 PolarHBondContact O-N 3.35Å; S33-S36 VanDerWaalsContact O-N 3.13Å; S33-S36 PolarHBondContact O-OG 3.21Å; S33-D37 WeakPolarHBondContact O-CB 3.47Å; S33-D37 PolarHBondContact O-N 3.1Å |
| 34 | L | 62.2 | Low | 62.7 | Low | 118 Ų | 118 | 105 Ų | 105 | 62% | 0.618 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.3 | -31.6 | 174.4 | -72.2 | 171.1 | 0 | 0 | 0 | 113.1 | N30 S38 | N30-L34 WeakPolarHBondContact O-CB 3.36Å; N30-L34 VanDerWaalsContact O-CG 3.22Å; N30-L34 WeakPolarHBondContact O-CG 3.49Å; N30-L34 PolarHBondContact O-N 3.42Å; N30-L34 VanDerWaalsContact O-N 3.1Å; L34-S38 VanDerWaalsContact O-CB 3.25Å; L34-S38 WeakPolarHBondContact O-CB 3.45Å; L34-S38 PolarHBondContact O-N 2.67Å |
| 35 | L | 65.9 | Low | 62.4 | Low | 98 Ų | 98 | 107.8 Ų | 107.8 | 51% | 0.513 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -72 | -43 | 173.1 | -71.2 | 169.4 | 0 | 0 | 0 | 111.5 | K31 L32 S33 S38 L39 | K31-L35 WeakPolarHBondContact O-CG 3.42Å; K31-L35 PolarHBondContact O-N 3.18Å; L32-L35 WeakPolarHBondContact O-CB 3.21Å; L32-L35 PolarHBondContact O-N 3.16Å; L32-L35 VanDerWaalsContact O-N 3.16Å; S33-L35 PolarHBondContact O-N 3.27Å; L35-S38 PolarHBondContact O-N 3.14Å; L35-L39 WeakPolarHBondContact O-CG 2.94Å; L35-L39 PolarHBondContact O-N 3.07Å |
| 36 | S | 64.4 | Low | 61.8 | Low | 54 Ų | 54 | 104.3 Ų | 104.3 | 38% | 0.378 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.1 | -36.6 | 175.1 | 58.8 | 0 | 0 | 0 | 0 | 112.6 | L32 S33 L39 N40 | L32-S36 PolarHBondContact O-N 3.05Å; L32-S36 PolarHBondContact O-OG 2.65Å; S33-S36 WeakPolarHBondContact CA-OG 3.41Å; S33-S36 PolarHBondContact O-N 3.35Å; S33-S36 VanDerWaalsContact O-N 3.13Å; S33-S36 PolarHBondContact O-OG 3.21Å; S36-L39 PolarHBondContact O-N 3.48Å; S36-N40 WeakPolarHBondContact O-CB 3.23Å; S36-N40 PolarHBondContact O-N 3.25Å; S36-N40 PolarHBondContact O-ND2 3.17Å |
| 37 | D | 64.7 | Low | 61.4 | Low | 81 Ų | 81 | 108 Ų | 108 | 43% | 0.433 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -66.8 | -43.6 | 175.4 | -69 | -28.5 | 0 | 0 | 0 | 110.6 | S33 L39 N40 L41 | S33-D37 WeakPolarHBondContact O-CB 3.47Å; S33-D37 PolarHBondContact O-N 3.1Å; D37-L39 VanDerWaalsContact C-N 3.33Å; D37-L39 PolarHBondContact O-N 3.26Å; D37-N40 PolarHBondContact O-N 2.74Å; D37-L41 WeakPolarHBondContact O-CB 3.49Å; D37-L41 WeakPolarHBondContact O-CD1 3.4Å; D37-L41 PolarHBondContact O-N 2.91Å |
| 38 | S | 64.4 | Low | 60.9 | Low | 58 Ų | 58 | 109 Ų | 109 | 41% | 0.406 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -59.9 | -41 | 175.4 | -172.8 | 0 | 0 | 0 | 0 | 112.4 | L34 L35 R42 | L34-S38 VanDerWaalsContact O-CB 3.25Å; L34-S38 WeakPolarHBondContact O-CB 3.45Å; L34-S38 PolarHBondContact O-N 2.67Å; L35-S38 PolarHBondContact O-N 3.14Å; S38-R42 WeakPolarHBondContact O-CG 3.01Å; S38-R42 PolarHBondContact O-N 2.87Å; S38-R42 VanDerWaalsContact O-N 3.08Å |
| 39 | L | 63 | Low | 60.2 | Low | 108 Ų | 108 | 111.1 Ų | 111.1 | 57% | 0.565 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -66.2 | -44.3 | 173.9 | -70.3 | 171.4 | 0 | 0 | 0 | 112 | L35 S36 D37 L41 R42 L43 | L35-L39 WeakPolarHBondContact O-CG 2.94Å; L35-L39 PolarHBondContact O-N 3.07Å; S36-L39 PolarHBondContact O-N 3.48Å; D37-L39 VanDerWaalsContact C-N 3.33Å; D37-L39 PolarHBondContact O-N 3.26Å; L39-L41 PolarHBondContact O-N 2.22Å; L39-R42 PolarHBondContact O-N 3.46Å; L39-L43 WeakPolarHBondContact O-CG 3.44Å; L39-L43 PolarHBondContact O-N 3.32Å |
| 40 | N | 64.7 | Low | 59.5 | Low | 83 Ų | 83 | 116.2 Ų | 116.2 | 44% | 0.444 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -63.5 | -38.6 | 175.9 | -84.7 | -71.3 | 0 | 0 | 0 | 112.8 | S36 D37 L43 R44 | S36-N40 WeakPolarHBondContact O-CB 3.23Å; S36-N40 PolarHBondContact O-N 3.25Å; S36-N40 PolarHBondContact O-ND2 3.17Å; D37-N40 PolarHBondContact O-N 2.74Å; N40-L43 PolarHBondContact O-N 2.82Å; N40-R44 WeakPolarHBondContact O-CG 3.43Å; N40-R44 PolarHBondContact O-N 2.86Å |
| 41 | L | 60.7 | Low | 58.4 | Low | 101 Ų | 101 | 114.6 Ų | 114.6 | 53% | 0.529 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -65.5 | -39.4 | 174.4 | -94.3 | 85.2 | 0 | 0 | 0 | 111.6 | D37 L39 R44 H45 | D37-L41 WeakPolarHBondContact O-CB 3.49Å; D37-L41 WeakPolarHBondContact O-CD1 3.4Å; D37-L41 PolarHBondContact O-N 2.91Å; L39-L41 PolarHBondContact O-N 2.22Å; L41-R44 PolarHBondContact O-N 2.82Å; L41-H45 PolarHBondContact O-N 2.99Å; L41-H45 PolarHBondContact O-ND1 2.94Å |
| 42 | R | 62.6 | Low | 57 | Low | 186 Ų | 186 | 119.9 Ų | 119.9 | 70% | 0.702 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -62.6 | -45.8 | 175.4 | -75.1 | 178 | -178.7 | -152.8 | -1.1 | 111.8 | S38 L39 R44 H45 G46 | S38-R42 WeakPolarHBondContact O-CG 3.01Å; S38-R42 PolarHBondContact O-N 2.87Å; S38-R42 VanDerWaalsContact O-N 3.08Å; L39-R42 PolarHBondContact O-N 3.46Å; R42-R44 VanDerWaalsContact C-N 3.32Å; R42-R44 PolarHBondContact O-N 3Å; R42-H45 PolarHBondContact O-N 3.16Å; R42-G46 PolarHBondContact O-N 2.4Å; R42-G46 VanDerWaalsContact O-N 3.17Å |
| 43 | L | 56.4 | Low | 55.4 | Low | 133 Ų | 133 | 125.7 Ų | 125.7 | 70% | 0.696 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -59.7 | -40.8 | 174.9 | -71.1 | 165.3 | 0 | 0 | 0 | 111.9 | L39 N40 | L39-L43 WeakPolarHBondContact O-CG 3.44Å; L39-L43 PolarHBondContact O-N 3.32Å; N40-L43 PolarHBondContact O-N 2.82Å |
| 44 | R | 57.9 | Low | 54.6 | Low | 175 Ų | 175 | 129.9 Ų | 129.9 | 66% | 0.66 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -73 | -28.8 | 177.2 | -72.3 | -177.8 | -178.8 | -132.7 | 0.2 | 114.5 | N40 L41 R42 | N40-R44 WeakPolarHBondContact O-CG 3.43Å; N40-R44 PolarHBondContact O-N 2.86Å; L41-R44 PolarHBondContact O-N 2.82Å; R42-R44 VanDerWaalsContact C-N 3.32Å; R42-R44 PolarHBondContact O-N 3Å |
| 45 | H | 54.7 | Low | 53.9 | Low | 122 Ų | 122 | 131.4 Ų | 131.4 | 57% | 0.565 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -77.1 | -31.2 | 177.6 | -80.3 | 72.2 | 0 | 0 | 0 | 112.7 | L41 R42 N47 R48 | L41-H45 PolarHBondContact O-N 2.99Å; L41-H45 PolarHBondContact O-ND1 2.94Å; R42-H45 PolarHBondContact O-N 3.16Å; H45-N47 PolarHBondContact O-N 2.97Å; H45-R48 PolarHBondContact O-N 3.49Å |
| 46 | G | 49.7 | Very low | 52.6 | Low | 61 Ų | 61 | 135.2 Ų | 135.2 | 63% | 0.629 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -56.1 | -34 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | R42 | R42-G46 PolarHBondContact O-N 2.4Å; R42-G46 VanDerWaalsContact O-N 3.17Å |
| 47 | N | 52 | Low | 51.6 | Low | 153 Ų | 153 | 141.2 Ų | 141.2 | 82% | 0.818 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.8 | 11.8 | -174.6 | -129.8 | 11.6 | 0 | 0 | 0 | 114.9 | H45 | H45-N47 PolarHBondContact O-N 2.97Š|
| 48 | R | 53.1 | Low | 50.5 | Low | 200 Ų | 200 | 144.8 Ų | 144.8 | 76% | 0.755 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.6 | 6.4 | -175.3 | -75.7 | -173.4 | 172.8 | -169.5 | -3.9 | 115.7 | H45 V50 | H45-R48 PolarHBondContact O-N 3.49Å; R48-V50 PolarHBondContact O-N 3.01Å; R48-V50 VanDerWaalsContact O-N 3.13Å |
| 49 | N | 46.6 | Very low | 49.3 | Very low | 149 Ų | 149 | 151.9 Ų | 151.9 | 80% | 0.797 | 72% | 0.72 | S | S | * | * | trans | -78.9 | 15 | -177 | -86.8 | -17.3 | 0 | 0 | 0 | 115.4 | ||||
| 50 | V | 46.1 | Very low | 48.1 | Very low | 152 Ų | 152 | 154.9 Ų | 154.9 | 92% | 0.921 | 73% | 0.731 | S | S | * | * | trans | -107.8 | 87.9 | 176.2 | -175.6 | 0 | 0 | 0 | 0 | 109.3 | R48 | R48-V50 PolarHBondContact O-N 3.01Å; R48-V50 VanDerWaalsContact O-N 3.13Å | ||
| 51 | G | 40.9 | Very low | 46.9 | Very low | 68 Ų | 68 | 157.7 Ų | 157.7 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | S | Bend | trans | 148.4 | 84.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||
| 52 | R | 40.3 | Very low | 45.7 | Very low | 255 Ų | 255 | 161.2 Ų | 161.2 | 96% | 0.962 | 76% | 0.762 | S | S | * | * | trans | 54.4 | 107.8 | 148.1 | -57.4 | -174.8 | -179.3 | -153.8 | -1 | 119.3 | ||||
| 53 | R | 36.3 | Very low | 44.5 | Very low | 238 Ų | 238 | 159.4 Ų | 159.4 | 90% | 0.898 | 77% | 0.765 | S | S | * | * | trans | -101.2 | 159.2 | 152 | -85 | -179 | 174.2 | 159.3 | 0.1 | 110.6 | ||||
| 54 | N | 41 | Very low | 43.5 | Very low | 135 Ų | 135 | 159.8 Ų | 159.8 | 72% | 0.722 | 77% | 0.768 | S | S | * | * | trans | 136.6 | 135.2 | 163.5 | -74.7 | -4.7 | 0 | 0 | 0 | 108 | ||||
| 55 | H | 46.3 | Very low | 42.5 | Very low | 149 Ų | 149 | 161.1 Ų | 161.1 | 69% | 0.69 | 77% | 0.773 | S | S | * | * | cis | -157.6 | 173 | -5.6 | -89.6 | -52.6 | 0 | 0 | 0 | 107.3 | ||||
| 56 | F | 39.5 | Very low | 41.8 | Very low | 178 Ų | 178 | 161 Ų | 161 | 78% | 0.781 | 78% | 0.777 | S | S | * | * | cis | -134.3 | -128.2 | -5.5 | -142.4 | -76.5 | 0 | 0 | 0 | 110.1 | ||||
| 57 | K | 42.5 | Very low | 41.1 | Very low | 180 Ų | 180 | 167.2 Ų | 167.2 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | trans | -159.3 | 178.3 | -177.1 | -66.3 | -177.4 | 179.5 | 170.6 | 0 | 113.1 | ||||
| 58 | H | 41.3 | Very low | 40.4 | Very low | 156 Ų | 156 | 166.6 Ų | 166.6 | 72% | 0.722 | 80% | 0.795 | S | S | * | * | trans | 92.5 | 148.4 | 157.5 | -95.7 | -137.8 | 0 | 0 | 0 | 119.5 | ||||
| 59 | R | 40.3 | Very low | 39.6 | Very low | 208 Ų | 208 | 162.6 Ų | 162.6 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | cis | -173 | 151.9 | -27.8 | 179.8 | 166.2 | 171.6 | 175.1 | -8.1 | 110.2 | ||||
| 60 | H | 36.4 | Very low | 39.3 | Very low | 171 Ų | 171 | 160.2 Ų | 160.2 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | trans | -71.8 | 163.9 | 178.3 | -75.5 | -103.5 | 0 | 0 | 0 | 116.2 | ||||
| 61 | V | 40.8 | Very low | 39 | Very low | 142 Ų | 142 | 159.9 Ų | 159.9 | 86% | 0.861 | 78% | 0.784 | S | S | * | * | -173.6 | 168.3 | 125.6 | 145.9 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 62 | F | 35.3 | Very low | 39.1 | Very low | 174 Ų | 174 | 161.6 Ų | 161.6 | 76% | 0.763 | 78% | 0.782 | S | S | * | * | trans | -99.2 | 169.6 | -160.7 | -68.4 | -110.1 | 0 | 0 | 0 | 116.7 | ||||
| 63 | L | 37.3 | Very low | 39 | Very low | 148 Ų | 148 | 159.3 Ų | 159.3 | 78% | 0.775 | 78% | 0.78 | S | S | * | * | 160.2 | 135.8 | 113.4 | -81.4 | 175.8 | 0 | 0 | 0 | 115.6 | |||||
| 64 | N | 35.4 | Very low | 39.1 | Very low | 141 Ų | 141 | 153.1 Ų | 153.1 | 75% | 0.754 | 77% | 0.773 | S | S | * | * | trans | 42.6 | 163 | 144.4 | -56.4 | -16.3 | 0 | 0 | 0 | 122 | ||||
| 65 | R | 36.6 | Very low | 38.9 | Very low | 204 Ų | 204 | 152.3 Ų | 152.3 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | cis | -166 | 173.5 | 7.6 | -143.7 | 177.6 | 157.1 | -123.7 | 4.4 | 112.6 | ||||
| 66 | D | 41.1 | Very low | 38.8 | Very low | 118 Ų | 118 | 151.2 Ų | 151.2 | 63% | 0.631 | 78% | 0.779 | S | S | * | * | trans | 83.1 | 154.5 | 150 | -61.6 | -37.9 | 0 | 0 | 0 | 123.2 | ||||
| 67 | E | 34.8 | Very low | 38.7 | Very low | 193 Ų | 193 | 152 Ų | 152 | 90% | 0.902 | 78% | 0.784 | S | S | * | * | trans | -112.5 | 162.3 | -155.8 | -50.7 | -175.4 | 116.4 | 0 | 0 | 116.2 | ||||
| 68 | C | 36 | Very low | 38.3 | Very low | 139 Ų | 139 | 151.9 Ų | 151.9 | 94% | 0.939 | 79% | 0.787 | S | S | * | * | trans | -162.4 | 170.9 | 131.3 | -139.4 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 69 | S | 37.9 | Very low | 38.1 | Very low | 116 Ų | 116 | 151.9 Ų | 151.9 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | trans | -102.8 | 175.7 | -159.4 | -116.8 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 70 | P | 40 | Very low | 37.7 | Very low | 99 Ų | 99 | 146.6 Ų | 146.6 | 64% | 0.643 | 79% | 0.787 | S | S | * | * | trans | -117.1 | -174.6 | -157.9 | 45 | -38.6 | 0 | 0 | 0 | 118.7 | ||||
| 71 | D | 38.2 | Very low | 37.8 | Very low | 146 Ų | 146 | 146.4 Ų | 146.4 | 78% | 0.781 | 79% | 0.791 | S | S | * | * | trans | 85.1 | 160.5 | 146.8 | -76.2 | -24.4 | 0 | 0 | 0 | 121.1 | ||||
| 72 | P | 44.7 | Very low | 37.3 | Very low | 103 Ų | 103 | 149 Ų | 149 | 67% | 0.669 | 79% | 0.791 | S | S | * | * | -144.3 | 176.3 | -64.3 | 39.9 | -20.2 | 0 | 0 | 0 | 115.8 | |||||
| 73 | K | 37.7 | Very low | 37.3 | Very low | 207 Ų | 207 | 148.4 Ų | 148.4 | 90% | 0.9 | 79% | 0.79 | S | S | * | * | trans | 177.1 | 164.9 | 159.4 | -95.4 | 143 | -166.3 | 175.1 | 0 | 108.8 | ||||
| 74 | S | 37.9 | Very low | 37.2 | Very low | 109 Ų | 109 | 148.1 Ų | 148.1 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | cis | -159.9 | 169.5 | -14.7 | 41.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 75 | P | 37.3 | Very low | 37.3 | Very low | 118 Ų | 118 | 146 Ų | 146 | 77% | 0.766 | 78% | 0.781 | S | S | * | * | trans | -112.5 | -162.6 | -161.9 | 42.5 | -34.2 | 0 | 0 | 0 | 116.4 | ||||
| 76 | V | 43.9 | Very low | 37.3 | Very low | 126 Ų | 126 | 141.4 Ų | 141.4 | 76% | 0.764 | 78% | 0.775 | S | S | * | * | trans | 102 | 107 | 164 | -161.4 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 77 | E | 38.5 | Very low | 37.1 | Very low | 193 Ų | 193 | 142.4 Ų | 142.4 | 90% | 0.902 | 78% | 0.779 | S | S | * | * | -174.3 | 166.3 | 108.6 | -95.7 | -161.2 | 171.5 | 0 | 0 | 112.2 | |||||
| 78 | E | 32.7 | Very low | 37.2 | Very low | 178 Ų | 178 | 140 Ų | 140 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | trans | -136.7 | 136 | -154.9 | -177.9 | 174.8 | -153.6 | 0 | 0 | 111.5 | ||||
| 79 | N | 36.8 | Very low | 37.2 | Very low | 157 Ų | 157 | 138.1 Ų | 138.1 | 84% | 0.84 | 76% | 0.761 | S | S | * | * | trans | -178.2 | 113.9 | 154.5 | -94.6 | -38.2 | 0 | 0 | 0 | 107.2 | ||||
| 80 | S | 32.4 | Very low | 37.1 | Very low | 96 Ų | 96 | 138.1 Ų | 138.1 | 67% | 0.671 | 76% | 0.756 | S | S | * | * | 68.7 | 101.4 | 62.6 | -161.3 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 81 | L | 38.7 | Very low | 37.3 | Very low | 168 Ų | 168 | 143 Ų | 143 | 88% | 0.88 | 77% | 0.77 | S | S | * | * | -169 | 139.7 | 113.3 | -93.9 | 169.3 | 0 | 0 | 0 | 109.9 | |||||
| 82 | K | 30 | Very low | 37 | Very low | 196 Ų | 196 | 142.8 Ų | 142.8 | 85% | 0.852 | 77% | 0.769 | S | S | * | * | trans | -98.5 | 177.1 | 167.5 | -80.9 | 175.4 | 175.8 | 170.7 | 0 | 108.6 | ||||
| 83 | E | 35.1 | Very low | 36.8 | Very low | 161 Ų | 161 | 144.6 Ų | 144.6 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | trans | 120.4 | 141.2 | 165 | -67.8 | -171.3 | 148.1 | 0 | 0 | 110.8 | ||||
| 84 | Q | 36 | Very low | 36.9 | Very low | 143 Ų | 143 | 140.2 Ų | 140.2 | 67% | 0.668 | 77% | 0.774 | S | S | * | * | cis | -157.2 | 143.5 | -17 | -118.2 | 153.9 | 17.1 | 0 | 0 | 105.4 | ||||
| 85 | S | 36.6 | Very low | 36.9 | Very low | 95 Ų | 95 | 139.6 Ų | 139.6 | 66% | 0.664 | 78% | 0.775 | S | S | * | * | 48.7 | 151.9 | 109.4 | 77.9 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 86 | V | 36.2 | Very low | 37 | Very low | 108 Ų | 108 | 139.9 Ų | 139.9 | 66% | 0.655 | 78% | 0.78 | S | S | * | * | cis | -157.9 | 165.7 | 14.1 | -139.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 87 | I | 38.2 | Very low | 36.8 | Very low | 139 Ų | 139 | 139.2 Ų | 139.2 | 71% | 0.713 | 78% | 0.781 | S | S | * | * | trans | 47.2 | 164.4 | 150 | 66.5 | -147.5 | 0 | 0 | 0 | 121 | ||||
| 88 | N | 36.6 | Very low | 37.2 | Very low | 144 Ų | 144 | 137.2 Ų | 137.2 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | cis | -156.4 | -177.4 | -3 | -113.9 | -12.4 | 0 | 0 | 0 | 105 | ||||
| 89 | S | 35.1 | Very low | 37.6 | Very low | 99 Ų | 99 | 134.2 Ų | 134.2 | 69% | 0.692 | 78% | 0.78 | S | S | * | * | cis | -170.4 | 149.6 | -23 | 170.2 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 90 | V | 37.7 | Very low | 37.8 | Very low | 116 Ų | 116 | 131.9 Ų | 131.9 | 70% | 0.703 | 78% | 0.777 | S | S | * | * | trans | -52.8 | 153.2 | 176.6 | -123 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 91 | Q | 43.9 | Very low | 38.1 | Very low | 200 Ų | 200 | 133.9 Ų | 133.9 | 94% | 0.935 | 79% | 0.785 | S | S | * | * | trans | -153.3 | 136.3 | 139.7 | -111.2 | 168.6 | 29.3 | 0 | 0 | 111.7 | ||||
| 92 | D | 30.8 | Very low | 38.4 | Very low | 143 Ų | 143 | 131.2 Ų | 131.2 | 77% | 0.765 | 78% | 0.78 | S | S | * | * | trans | -88.4 | 151.3 | -176.7 | -54.6 | -84.4 | 0 | 0 | 0 | 112.9 | ||||
| 93 | T | 41 | Very low | 38.4 | Very low | 141 Ų | 141 | 128.6 Ų | 128.6 | 87% | 0.865 | 79% | 0.785 | S | S | * | * | trans | -147.5 | 122.1 | 145.5 | 30 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 94 | S | 40 | Very low | 38.4 | Very low | 114 Ų | 114 | 123.9 Ų | 123.9 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | trans | -53.6 | 169.3 | 154.5 | 31.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 95 | A | 36.5 | Very low | 38.7 | Very low | 96 Ų | 96 | 123.3 Ų | 123.3 | 79% | 0.793 | 79% | 0.791 | S | S | * | * | cis | -173.3 | 148.6 | -19.5 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 96 | S | 41 | Very low | 38.7 | Very low | 125 Ų | 125 | 124.2 Ų | 124.2 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | trans | -161.6 | 115.6 | 162 | 54.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 97 | S | 39.3 | Very low | 39.2 | Very low | 112 Ų | 112 | 122.3 Ų | 122.3 | 78% | 0.783 | 80% | 0.8 | S | S | * | * | trans | -89.6 | 138.1 | 177.7 | 50.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 98 | V | 45.8 | Very low | 40.2 | Very low | 151 Ų | 151 | 121 Ų | 121 | 92% | 0.915 | 79% | 0.793 | S | S | * | * | trans | -137 | 138.4 | 149.5 | -75.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 99 | S | 42.3 | Very low | 41.3 | Very low | 114 Ų | 114 | 117.4 Ų | 117.4 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | trans | -100.5 | 148.2 | -173.2 | -43.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 100 | S | 41.5 | Very low | 43 | Very low | 109 Ų | 109 | 113.5 Ų | 113.5 | 76% | 0.762 | 75% | 0.752 | S | S | * | * | trans | 177.8 | 105.8 | 133.3 | 51.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 101 | T | 38.4 | Very low | 45.1 | Very low | 137 Ų | 137 | 111.8 Ų | 111.8 | 84% | 0.84 | 74% | 0.742 | S | S | * | * | trans | 28.5 | 110.1 | 133.7 | 54.7 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 102 | S | 44.7 | Very low | 47.2 | Very low | 112 Ų | 112 | 102.4 Ų | 102.4 | 78% | 0.783 | 70% | 0.699 | S | S | * | * | -167.6 | 128 | 119.2 | 60.9 | 0 | 0 | 0 | 0 | 112.2 | G104 | S102-G104 PolarHBondContact O-N 3.18Å; S102-G104 VanDerWaalsContact O-N 3.15Å | |||
| 103 | C | 29.2 | Very low | 49.8 | Very low | 141 Ų | 141 | 99.5 Ų | 99.5 | 95% | 0.953 | 68% | 0.679 | S | S | * | * | trans | -29.5 | 102.2 | 173.8 | 50.2 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 104 | G | 36 | Very low | 52.2 | Low | 63 Ų | 63 | 93.3 Ų | 93.3 | 65% | 0.649 | 64% | 0.64 | S | S | * | * | trans | -125.2 | 137.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | S102 S106 | S102-G104 PolarHBondContact O-N 3.18Å; S102-G104 VanDerWaalsContact O-N 3.15Å; G104-S106 PolarHBondContact O-N 3.45Å | ||
| 105 | S | 41.9 | Very low | 54.6 | Low | 130 Ų | 130 | 94.7 Ų | 94.7 | 91% | 0.909 | 63% | 0.631 | S | S | * | * | trans | -53.9 | 121.8 | 178.3 | -168.4 | 0 | 0 | 0 | 0 | 111 | G107 | S105-G107 PolarHBondContact O-N 3Š| ||
| 106 | S | 37.7 | Very low | 56.9 | Low | 115 Ų | 115 | 93.9 Ų | 93.9 | 80% | 0.804 | 63% | 0.633 | S | S | * | * | trans | -69.6 | 75.5 | -174.9 | -54.2 | 0 | 0 | 0 | 0 | 112.9 | G104 I108 | G104-S106 PolarHBondContact O-N 3.45Å; S106-I108 PolarHBondContact O-N 2.93Å; S106-I108 VanDerWaalsContact O-N 3.07Å | ||
| 107 | G | 46.4 | Very low | 59.2 | Low | 68 Ų | 68 | 89.1 Ų | 89.1 | 70% | 0.701 | 60% | 0.599 | S | S | * | * | trans | -64.6 | 103 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | S105 S109 | S105-G107 PolarHBondContact O-N 3Å; G107-S109 PolarHBondContact O-N 3.43Å | ||
| 108 | I | 57.8 | Low | 61.1 | Low | 111 Ų | 111 | 92.5 Ų | 92.5 | 57% | 0.569 | 60% | 0.602 | S | S | * | * | trans | -64.8 | 99.3 | 175.8 | -58.2 | 158.7 | 0 | 0 | 0 | 107.8 | S106 | S106-I108 PolarHBondContact O-N 2.93Å; S106-I108 VanDerWaalsContact O-N 3.07Å | ||
| 109 | S | 60.2 | Low | 62.8 | Low | 69 Ų | 69 | 88 Ų | 88 | 48% | 0.483 | 58% | 0.577 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -60.5 | 150.6 | 171.3 | 54.2 | 0 | 0 | 0 | 0 | 110 | G107 | G107-S109 PolarHBondContact O-N 3.43Å |
| 110 | S | 70.5 | Confident | 64.1 | Low | 17 Ų | 17 | 86.6 Ų | 86.6 | 12% | 0.119 | 56% | 0.564 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -134.6 | 111.7 | -176.7 | 55 | 0 | 0 | 0 | 0 | 110.3 | I122 R124 | S110-I122 PolarHBondContact N-O 3.08Å; S110-I122 VanDerWaalsContact O-O 3.08Å; S110-I122 PolarHBondContact OG-O 3.5Å; S110-R124 WeakPolarHBondContact OG-CA 3.33Å; S110-R124 PolarHBondContact OG-N 3.38Å |
| 111 | V | 82.4 | Confident | 65.5 | Low | 79 Ų | 79 | 87.5 Ų | 87.5 | 48% | 0.479 | 56% | 0.56 | S | S | . | * | trans | -63.2 | 137.6 | 177.3 | -176.6 | 0 | 0 | 0 | 0 | 110.5 | K113 V120 | V111-K113 PolarHBondContact O-N 3.2Å; V111-V120 WeakPolarHBondContact CA-O 3.41Å; V111-V120 HydrophobicContact CG2-CG1 4.28Å; V111-V120 WeakPolarHBondContact CG2-O 3.44Å | ||
| 112 | C | 87.9 | Confident | 67.4 | Low | 4 Ų | 4 | 81.8 Ų | 81.8 | 3% | 0.027 | 52% | 0.524 | C | S | . | . | trans | -73.8 | 112.2 | 167.2 | -173.9 | 0 | 0 | 0 | 0 | 110.1 | W114 C117 C119 I122 L127 H130 H135 | C112-W114 PolarHBondContact O-N 2.85Å; C112-C117 HydrophobicContact CB-CB 4.32Å; C112-C119 PolarHBondContact N-O 3.04Å; C112-I122 HydrophobicContact CB-CD1 3.8Å; C112-L127 HydrophobicContact CB-CD1 4.15Å; C112-H130 WeakPolarHBondContact CB-NE2 3.43Å; C112-H130 VanDerWaalsContact SG-CD2 3.53Å; C112-H130 PolarHBondContact SG-NE2 3.37Å; C112-H135 PolarHBondContact SG-NE2 3.13Å | ||
| 113 | K | 86.3 | Confident | 68.8 | Low | 82 Ų | 82 | 81.4 Ų | 81.4 | 36% | 0.357 | 51% | 0.51 | S | S | . | . | trans | -86.2 | 26.1 | 176.8 | -68.8 | -172.9 | 157.1 | -164.4 | 0 | 113.4 | V111 W151 Q152 D153 | V111-K113 PolarHBondContact O-N 3.2Å; K113-W151 HydrophobicContact CB-CD2 3.97Å; K113-W151 HydrophobicContact CB-CE3 4.26Å; K113-W151 HydrophobicContact CB-CH2 4.1Å; K113-W151 HydrophobicContact CB-CZ2 3.75Å; K113-W151 HydrophobicContact CB-CZ3 4.33Å; K113-W151 HydrophobicContact CG-CZ2 4.26Å; K113-W151 VanDerWaalsContact N-CH2 3.31Å; K113-W151 VanDerWaalsContact N-CZ3 3.29Å; K113-Q152 HydrophobicContact CB-CB 4.15Å; K113-Q152 VanDerWaalsContact O-CG 3.25Å; K113-Q152 WeakPolarHBondContact O-CG 3.46Å; K113-Q152 PolarHBondContact O-N 3.25Å; K113-D153 IonicContact NZ-OD2 3.38Å; K113-D153 PolarHBondContact NZ-OD2 3.16Å | ||
| 114 | W | 90.3 | Very high | 70.9 | Confident | 11 Ų | 11 | 80.6 Ų | 80.6 | 4% | 0.042 | 49% | 0.487 | C | S | . | . | B | Isolated β-bridge | trans | -79.9 | 140.4 | 177.4 | -158.9 | -84 | 0 | 0 | 0 | 110.8 | C112 G116 C117 I131 H135 C149 L150 W151 L167 I171 | C112-W114 PolarHBondContact O-N 2.85Å; W114-G116 PolarHBondContact O-N 3.41Å; W114-G116 VanDerWaalsContact O-N 3.14Å; W114-C117 HydrophobicContact CB-CB 4.03Å; W114-C117 WeakPolarHBondContact O-CB 3.49Å; W114-C117 PolarHBondContact O-N 2.79Å; W114-I131 HydrophobicContact CE3-CG2 3.92Å; W114-I131 HydrophobicContact CZ3-CG2 3.87Å; W114-H135 WeakPolarHBondContact CB-CD2 3.4Å; W114-H135 VanDerWaalsContact CB-NE2 3.33Å; W114-H135 WeakPolarHBondContact CB-NE2 3.05Å; W114-H135 AromaticContact CD1-CD2 3.88Å; W114-H135 AromaticContact CD1-CE1 3.92Å; W114-H135 AromaticContact CD1-CG 3.58Å; W114-H135 AromaticContact CD1-ND1 3.62Å; W114-H135 HydrophobicContact CD2-CB 3.6Å; W114-H135 AromaticContact CD2-CD2 3.64Å; W114-H135 AromaticContact CD2-CG 3.61Å; W114-H135 AromaticContact CE2-CG 3.92Å; W114-H135 HydrophobicContact CE3-CB 3.95Å; W114-H135 AromaticContact CE3-CD2 3.98Å; W114-H135 HydrophobicContact CG-CB 4.01Å; W114-H135 AromaticContact CG-CD2 3.34Å; W114-H135 AromaticContact CG-CE1 3.99Å; W114-H135 AromaticContact CG-CG 3.47Å; W114-H135 VanDerWaalsContact CG-CG 3.47Å; W114-H135 AromaticContact CG-ND1 3.87Å; W114-H135 AromaticContact CG-NE2 3.69Å; W114-H135 HydrophobicContact CH2-CB 4.3Å; W114-H135 HydrophobicContact CZ2-CB 3.95Å; W114-H135 HydrophobicContact CZ3-CB 4.29Å; W114-H135 AromaticContact NE1-CG 3.81Å; W114-C149 HydrophobicContact CH2-CB 4.47Å; W114-L150 HydrophobicContact CD2-CB 4.48Å; W114-L150 HydrophobicContact CZ2-CB 3.99Å; W114-L150 HydrophobicContact CZ2-CG 4.32Å; W114-L150 VanDerWaalsContact CZ2-N 3.26Å; W114-W151 HydrophobicContact CB-CE3 4.21Å; W114-W151 HydrophobicContact CE3-CB 4.1Å; W114-W151 AromaticContact CE3-CE3 3.99Å; W114-W151 HydrophobicContact CE3-CE3 3.99Å; W114-W151 HydrophobicContact CZ3-CB 4.35Å; W114-L167 HydrophobicContact CH2-CD1 4.48Å; W114-I171 HydrophobicContact CH2-CG2 4.23Å; W114-I171 HydrophobicContact CZ3-CG2 3.84Å |
| 115 | K | 89.6 | Confident | 72.8 | Confident | 142 Ų | 142 | 82.2 Ų | 82.2 | 62% | 0.617 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | 118.5 | 179.4 | -172.1 | -173.7 | -178.8 | -178.8 | 0 | 109.9 | L150 F157 | K115-L150 HydrophobicContact CB-CB 4Å; K115-L150 WeakPolarHBondContact CB-O 3.45Å; K115-L150 PolarHBondContact N-O 3.23Å; K115-F157 HydrophobicContact CB-CE2 4.44Å; K115-F157 HydrophobicContact CD-CZ 4.26Å |
| 116 | G | 86.1 | Confident | 74.7 | Confident | 80 Ų | 80 | 81.3 Ų | 81.3 | 83% | 0.825 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.5 | 21.4 | -178 | 0 | 0 | 0 | 0 | 0 | 114.4 | W114 | W114-G116 PolarHBondContact O-N 3.41Å; W114-G116 VanDerWaalsContact O-N 3.14Å |
| 117 | C | 88.4 | Confident | 76.9 | Confident | 25 Ų | 25 | 76.3 Ų | 76.3 | 17% | 0.169 | 43% | 0.43 | C | S | . | . | trans | -99 | 130.1 | 167.9 | -167.2 | 0 | 0 | 0 | 0 | 110.9 | C112 W114 H130 H135 | C112-C117 HydrophobicContact CB-CB 4.32Å; W114-C117 HydrophobicContact CB-CB 4.03Å; W114-C117 WeakPolarHBondContact O-CB 3.49Å; W114-C117 PolarHBondContact O-N 2.79Å; C117-H130 VanDerWaalsContact SG-CE1 3.51Å; C117-H130 PolarHBondContact SG-NE2 3.47Å; C117-H135 WeakPolarHBondContact CB-NE2 3.33Å; C117-H135 VanDerWaalsContact SG-CE1 3.6Å; C117-H135 PolarHBondContact SG-NE2 2.92Å; C117-H135 VanDerWaalsContact SG-NE2 3.41Å | ||
| 118 | E | 80.7 | Confident | 78.9 | Confident | 182 Ų | 182 | 75.1 Ų | 75.1 | 85% | 0.85 | 41% | 0.407 | S | S | * | . | trans | -101.8 | 5.8 | -179.3 | -63.9 | 175.5 | 177.1 | 0 | 0 | 112.5 | V120 | E118-V120 PolarHBondContact O-N 3.25Å; E118-V120 VanDerWaalsContact O-N 3.11Å | ||
| 119 | C | 79.7 | Confident | 80.2 | Confident | 57 Ų | 57 | 74.1 Ų | 74.1 | 39% | 0.385 | 40% | 0.403 | S | S | . | . | trans | -80.8 | 95.4 | -178.9 | -60.2 | 0 | 0 | 0 | 0 | 111.7 | C112 I122 H130 | C112-C119 PolarHBondContact N-O 3.04Å; C119-I122 HydrophobicContact CB-CD1 3.63Å; C119-I122 HydrophobicContact CB-CG1 4.11Å; C119-H130 PolarHBondContact SG-CE1 3.48Å | ||
| 120 | V | 70.9 | Confident | 81.6 | Confident | 85 Ų | 85 | 72 Ų | 72 | 52% | 0.515 | 39% | 0.385 | S | S | . | . | trans | -77.5 | -42.9 | -176.9 | -176.7 | 0 | 0 | 0 | 0 | 112.9 | V111 E118 | V111-V120 WeakPolarHBondContact CA-O 3.41Å; V111-V120 HydrophobicContact CG2-CG1 4.28Å; V111-V120 WeakPolarHBondContact CG2-O 3.44Å; E118-V120 PolarHBondContact O-N 3.25Å; E118-V120 VanDerWaalsContact O-N 3.11Å | ||
| 121 | D | 71.1 | Confident | 82.5 | Confident | 127 Ų | 127 | 71.2 Ų | 71.2 | 68% | 0.679 | 38% | 0.38 | S | S | * | . | trans | -110.4 | 82.6 | -171.9 | -71.1 | -62.3 | 0 | 0 | 0 | 113.6 | ||||
| 122 | I | 77.3 | Confident | 82.8 | Confident | 17 Ų | 17 | 70.7 Ų | 70.7 | 9% | 0.087 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 129.8 | 174.6 | -53.5 | 159.6 | 0 | 0 | 0 | 110.3 | S110 C112 C119 Q126 L127 H130 | S110-I122 PolarHBondContact N-O 3.08Å; S110-I122 VanDerWaalsContact O-O 3.08Å; S110-I122 PolarHBondContact OG-O 3.5Å; C112-I122 HydrophobicContact CB-CD1 3.8Å; C119-I122 HydrophobicContact CB-CD1 3.63Å; C119-I122 HydrophobicContact CB-CG1 4.11Å; I122-Q126 HydrophobicContact CG2-CB 3.91Å; I122-L127 HydrophobicContact CB-CD1 4.45Å; I122-L127 HydrophobicContact CD1-CD1 4.06Å; I122-L127 HydrophobicContact CG2-CB 4.18Å; I122-H130 HydrophobicContact CD1-CB 3.98Å; I122-H130 WeakPolarHBondContact CD1-CD2 3.18Å; I122-H130 HydrophobicContact CG2-CB 4.38Å |
| 123 | E | 75.4 | Confident | 82.8 | Confident | 104 Ų | 104 | 75.5 Ų | 75.5 | 49% | 0.486 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.3 | 138.1 | 173.9 | -163.7 | -163.6 | 157.7 | 0 | 0 | 110.6 | T125 Q126 L127 | E123-T125 WeakPolarHBondContact CG-OG1 3.48Å; E123-T125 PolarHBondContact O-N 3.3Å; E123-T125 PolarHBondContact OE1-OG1 2.69Å; E123-T125 PolarHBondContact OE2-OG1 3.34Å; E123-Q126 HydrophobicContact CB-CB 4.28Å; E123-Q126 HydrophobicContact CB-CG 4.02Å; E123-Q126 WeakPolarHBondContact O-CA 3.48Å; E123-Q126 PolarHBondContact O-N 3.39Å; E123-Q126 PolarHBondContact OE2-NE2 3.2Å; E123-L127 PolarHBondContact O-N 3.4Å |
| 124 | R | 72.4 | Confident | 83 | Confident | 124 Ų | 124 | 76 Ų | 76 | 47% | 0.468 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -30.7 | -177.3 | 174.7 | 175.4 | -79.1 | 126.9 | -0 | 114.3 | S110 | S110-R124 WeakPolarHBondContact OG-CA 3.33Å; S110-R124 PolarHBondContact OG-N 3.38Å |
| 125 | T | 75.7 | Confident | 83 | Confident | 97 Ų | 97 | 76.3 Ų | 76.3 | 60% | 0.595 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -33.7 | 175.9 | 50.8 | 0 | 0 | 0 | 0 | 112.5 | E123 | E123-T125 WeakPolarHBondContact CG-OG1 3.48Å; E123-T125 PolarHBondContact O-N 3.3Å; E123-T125 PolarHBondContact OE1-OG1 2.69Å; E123-T125 PolarHBondContact OE2-OG1 3.34Å |
| 126 | Q | 81.5 | Confident | 83 | Confident | 111 Ų | 111 | 69.8 Ų | 69.8 | 52% | 0.519 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -21.7 | -176 | -58.7 | -175.4 | 35.9 | 0 | 0 | 112.9 | I122 E123 I128 N129 H130 | I122-Q126 HydrophobicContact CG2-CB 3.91Å; E123-Q126 HydrophobicContact CB-CB 4.28Å; E123-Q126 HydrophobicContact CB-CG 4.02Å; E123-Q126 WeakPolarHBondContact O-CA 3.48Å; E123-Q126 PolarHBondContact O-N 3.39Å; E123-Q126 PolarHBondContact OE2-NE2 3.2Å; Q126-I128 VanDerWaalsContact C-N 3.25Å; Q126-I128 PolarHBondContact O-N 2.85Å; Q126-I128 VanDerWaalsContact O-N 3.16Å; Q126-N129 WeakPolarHBondContact O-CA 3.49Å; Q126-N129 WeakPolarHBondContact O-CB 3.45Å; Q126-N129 PolarHBondContact O-N 3.02Å; Q126-H130 PolarHBondContact O-N 3.03Å |
| 127 | L | 85.5 | Confident | 83.1 | Confident | 11 Ų | 11 | 68.8 Ų | 68.8 | 6% | 0.058 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -53.4 | -38.1 | -178.5 | -178.6 | 63.9 | 0 | 0 | 0 | 113.5 | C112 I122 E123 H130 I131 W151 T175 | C112-L127 HydrophobicContact CB-CD1 4.15Å; I122-L127 HydrophobicContact CB-CD1 4.45Å; I122-L127 HydrophobicContact CD1-CD1 4.06Å; I122-L127 HydrophobicContact CG2-CB 4.18Å; E123-L127 PolarHBondContact O-N 3.4Å; L127-H130 PolarHBondContact O-N 3.21Å; L127-I131 HydrophobicContact CD1-CD1 4.08Å; L127-I131 HydrophobicContact CD1-CG1 4.28Å; L127-I131 HydrophobicContact CG-CD1 3.9Å; L127-I131 WeakPolarHBondContact O-CD1 3.49Å; L127-I131 VanDerWaalsContact O-CG1 3.25Å; L127-I131 WeakPolarHBondContact O-CG1 3.42Å; L127-I131 PolarHBondContact O-N 2.83Å; L127-W151 HydrophobicContact CD1-CH2 4.23Å; L127-W151 HydrophobicContact CD2-CH2 4.16Å; L127-T175 HydrophobicContact CD2-CG2 4Å; L127-T175 HydrophobicContact CG-CG2 3.98Å |
| 128 | I | 86.6 | Confident | 83.1 | Confident | 42 Ų | 42 | 70.4 Ų | 70.4 | 22% | 0.215 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -60.6 | -47.3 | 175.3 | -64.4 | 173.5 | 0 | 0 | 0 | 110.9 | Q126 I131 Q132 L172 T175 | Q126-I128 VanDerWaalsContact C-N 3.25Å; Q126-I128 PolarHBondContact O-N 2.85Å; Q126-I128 VanDerWaalsContact O-N 3.16Å; I128-I131 PolarHBondContact O-N 3.47Å; I128-Q132 HydrophobicContact CG2-CG 4.48Å; I128-Q132 WeakPolarHBondContact O-CB 3.13Å; I128-Q132 VanDerWaalsContact O-CG 3.32Å; I128-Q132 WeakPolarHBondContact O-CG 3.45Å; I128-Q132 PolarHBondContact O-N 3.11Å; I128-L172 HydrophobicContact CG2-CD2 4.04Å; I128-T175 HydrophobicContact CB-CG2 4.46Å; I128-T175 WeakPolarHBondContact CD1-OG1 3.44Å; I128-T175 HydrophobicContact CG1-CG2 3.54Å; I128-T175 WeakPolarHBondContact CG1-OG1 3.42Å |
| 129 | N | 86.2 | Confident | 83.5 | Confident | 90 Ų | 90 | 62.3 Ų | 62.3 | 48% | 0.481 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65.6 | -44.9 | -177.6 | -168.3 | -26.1 | 0 | 0 | 0 | 110.1 | Q126 I131 Q132 Q133 | Q126-N129 WeakPolarHBondContact O-CA 3.49Å; Q126-N129 WeakPolarHBondContact O-CB 3.45Å; Q126-N129 PolarHBondContact O-N 3.02Å; N129-I131 PolarHBondContact O-N 3.04Å; N129-Q132 WeakPolarHBondContact O-CB 3.32Å; N129-Q132 PolarHBondContact O-N 2.79Å; N129-Q133 WeakPolarHBondContact O-CG 3.47Å; N129-Q133 PolarHBondContact O-N 3.44Å; N129-Q133 WeakPolarHBondContact OD1-CG 3.27Å |
| 130 | H | 88.5 | Confident | 83.8 | Confident | 26 Ų | 26 | 62.6 Ų | 62.6 | 12% | 0.12 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -54.4 | -51.5 | 172.5 | 168.6 | 82.8 | 0 | 0 | 0 | 112.4 | C112 C117 C119 I122 Q126 L127 Q132 Q133 I134 H135 | C112-H130 WeakPolarHBondContact CB-NE2 3.43Å; C112-H130 VanDerWaalsContact SG-CD2 3.53Å; C112-H130 PolarHBondContact SG-NE2 3.37Å; C117-H130 VanDerWaalsContact SG-CE1 3.51Å; C117-H130 PolarHBondContact SG-NE2 3.47Å; C119-H130 PolarHBondContact SG-CE1 3.48Å; I122-H130 HydrophobicContact CD1-CB 3.98Å; I122-H130 WeakPolarHBondContact CD1-CD2 3.18Å; I122-H130 HydrophobicContact CG2-CB 4.38Å; Q126-H130 PolarHBondContact O-N 3.03Å; L127-H130 PolarHBondContact O-N 3.21Å; H130-Q132 VanDerWaalsContact C-N 3.29Å; H130-Q132 PolarHBondContact O-N 2.83Å; H130-Q133 PolarHBondContact O-N 3.35Å; H130-I134 WeakPolarHBondContact O-CB 3.34Å; H130-I134 WeakPolarHBondContact O-CG1 3.46Å; H130-I134 PolarHBondContact O-N 3.5Å; H130-H135 AromaticContact NE2-NE2 3.31Å; H130-H135 PolarHBondContact NE2-NE2 3.28Å |
| 131 | I | 89.8 | Confident | 84.4 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62 | -39.4 | 179.3 | -62.7 | 161.3 | 0 | 0 | 0 | 110.9 | W114 L127 I128 N129 H135 V136 W151 I171 T175 | W114-I131 HydrophobicContact CE3-CG2 3.92Å; W114-I131 HydrophobicContact CZ3-CG2 3.87Å; L127-I131 HydrophobicContact CD1-CD1 4.08Å; L127-I131 HydrophobicContact CD1-CG1 4.28Å; L127-I131 HydrophobicContact CG-CD1 3.9Å; L127-I131 WeakPolarHBondContact O-CD1 3.49Å; L127-I131 VanDerWaalsContact O-CG1 3.25Å; L127-I131 WeakPolarHBondContact O-CG1 3.42Å; L127-I131 PolarHBondContact O-N 2.83Å; I128-I131 PolarHBondContact O-N 3.47Å; N129-I131 PolarHBondContact O-N 3.04Å; I131-H135 HydrophobicContact CG2-CB 4.49Å; I131-H135 WeakPolarHBondContact O-CA 3.18Å; I131-H135 WeakPolarHBondContact O-CB 3.39Å; I131-H135 PolarHBondContact O-N 3.44Å; I131-H135 VanDerWaalsContact O-N 3.1Å; I131-V136 PolarHBondContact O-N 3.03Å; I131-V136 VanDerWaalsContact O-N 3.09Å; I131-W151 HydrophobicContact CD1-CE3 4.07Å; I131-W151 HydrophobicContact CD1-CH2 3.8Å; I131-W151 HydrophobicContact CD1-CZ3 3.39Å; I131-W151 HydrophobicContact CG1-CE3 4.43Å; I131-W151 HydrophobicContact CG1-CZ3 3.79Å; I131-I171 HydrophobicContact CG2-CB 3.95Å; I131-I171 HydrophobicContact CG2-CD1 3.98Å; I131-I171 HydrophobicContact CG2-CG2 3.88Å; I131-T175 HydrophobicContact CD1-CG2 3.66Å |
| 132 | Q | 88.8 | Confident | 84.8 | Confident | 67 Ų | 67 | 59.6 Ų | 59.6 | 31% | 0.313 | 31% | 0.314 | S | S | . | . | I | π-helix | trans | -60.9 | -56.5 | 176.2 | -77.3 | 174.5 | -22.9 | 0 | 0 | 111.7 | I128 N129 H130 V136 V137 I171 | I128-Q132 HydrophobicContact CG2-CG 4.48Å; I128-Q132 WeakPolarHBondContact O-CB 3.13Å; I128-Q132 VanDerWaalsContact O-CG 3.32Å; I128-Q132 WeakPolarHBondContact O-CG 3.45Å; I128-Q132 PolarHBondContact O-N 3.11Å; N129-Q132 WeakPolarHBondContact O-CB 3.32Å; N129-Q132 PolarHBondContact O-N 2.79Å; H130-Q132 VanDerWaalsContact C-N 3.29Å; H130-Q132 PolarHBondContact O-N 2.83Å; Q132-V136 PolarHBondContact O-N 3.04Å; Q132-V137 WeakPolarHBondContact O-CG2 3.38Å; Q132-V137 PolarHBondContact O-N 3.39Å; Q132-I171 HydrophobicContact CB-CD1 4.47Å; Q132-I171 HydrophobicContact CG-CD1 3.37Å |
| 133 | Q | 87.9 | Confident | 84.8 | Confident | 106 Ų | 106 | 71 Ų | 71 | 50% | 0.495 | 36% | 0.356 | S | S | . | . | I | π-helix | trans | -73.9 | -37 | -172.5 | -59.5 | -57.2 | -32 | 0 | 0 | 113.4 | N129 H130 P138 | N129-Q133 WeakPolarHBondContact O-CG 3.47Å; N129-Q133 PolarHBondContact O-N 3.44Å; N129-Q133 WeakPolarHBondContact OD1-CG 3.27Å; H130-Q133 PolarHBondContact O-N 3.35Å; Q133-P138 WeakPolarHBondContact O-CD 3.25Å |
| 134 | I | 90 | Very high | 84.9 | Confident | 92 Ų | 92 | 72 Ų | 72 | 47% | 0.472 | 36% | 0.355 | S | S | . | . | I | π-helix | trans | -94.2 | -24 | -172.9 | -50.7 | -57.3 | 0 | 0 | 0 | 112.5 | H130 P138 | H130-I134 WeakPolarHBondContact O-CB 3.34Å; H130-I134 WeakPolarHBondContact O-CG1 3.46Å; H130-I134 PolarHBondContact O-N 3.5Å; I134-P138 WeakPolarHBondContact O-CG 3.26Å |
| 135 | H | 90.4 | Very high | 85.5 | Confident | 18 Ų | 18 | 75.1 Ų | 75.1 | 8% | 0.083 | 37% | 0.372 | C | S | . | . | I | π-helix | trans | -125.2 | -27 | -172 | -55.1 | -38.5 | 0 | 0 | 0 | 115.8 | C112 W114 C117 H130 I131 Q139 | C112-H135 PolarHBondContact SG-NE2 3.13Å; W114-H135 WeakPolarHBondContact CB-CD2 3.4Å; W114-H135 VanDerWaalsContact CB-NE2 3.33Å; W114-H135 WeakPolarHBondContact CB-NE2 3.05Å; W114-H135 AromaticContact CD1-CD2 3.88Å; W114-H135 AromaticContact CD1-CE1 3.92Å; W114-H135 AromaticContact CD1-CG 3.58Å; W114-H135 AromaticContact CD1-ND1 3.62Å; W114-H135 HydrophobicContact CD2-CB 3.6Å; W114-H135 AromaticContact CD2-CD2 3.64Å; W114-H135 AromaticContact CD2-CG 3.61Å; W114-H135 AromaticContact CE2-CG 3.92Å; W114-H135 HydrophobicContact CE3-CB 3.95Å; W114-H135 AromaticContact CE3-CD2 3.98Å; W114-H135 HydrophobicContact CG-CB 4.01Å; W114-H135 AromaticContact CG-CD2 3.34Å; W114-H135 AromaticContact CG-CE1 3.99Å; W114-H135 AromaticContact CG-CG 3.47Å; W114-H135 VanDerWaalsContact CG-CG 3.47Å; W114-H135 AromaticContact CG-ND1 3.87Å; W114-H135 AromaticContact CG-NE2 3.69Å; W114-H135 HydrophobicContact CH2-CB 4.3Å; W114-H135 HydrophobicContact CZ2-CB 3.95Å; W114-H135 HydrophobicContact CZ3-CB 4.29Å; W114-H135 AromaticContact NE1-CG 3.81Å; C117-H135 WeakPolarHBondContact CB-NE2 3.33Å; C117-H135 VanDerWaalsContact SG-CE1 3.6Å; C117-H135 PolarHBondContact SG-NE2 2.92Å; C117-H135 VanDerWaalsContact SG-NE2 3.41Å; H130-H135 AromaticContact NE2-NE2 3.31Å; H130-H135 PolarHBondContact NE2-NE2 3.28Å; I131-H135 HydrophobicContact CG2-CB 4.49Å; I131-H135 WeakPolarHBondContact O-CA 3.18Å; I131-H135 WeakPolarHBondContact O-CB 3.39Å; I131-H135 PolarHBondContact O-N 3.44Å; I131-H135 VanDerWaalsContact O-N 3.1Å; H135-Q139 PolarHBondContact O-NE2 2.93Å |
| 136 | V | 89.5 | Confident | 86.1 | Confident | 4 Ų | 4 | 76.5 Ų | 76.5 | 2% | 0.024 | 37% | 0.367 | C | S | . | . | I | π-helix | trans | -94.1 | -52.9 | 177.1 | 178.5 | 0 | 0 | 0 | 0 | 110.9 | I131 Q132 Q139 L140 L167 E168 I171 | I131-V136 PolarHBondContact O-N 3.03Å; I131-V136 VanDerWaalsContact O-N 3.09Å; Q132-V136 PolarHBondContact O-N 3.04Å; V136-Q139 WeakPolarHBondContact O-CA 3.39Å; V136-Q139 WeakPolarHBondContact O-CB 3.38Å; V136-Q139 PolarHBondContact O-N 3.25Å; V136-L140 HydrophobicContact CG1-CD1 3.74Å; V136-L140 WeakPolarHBondContact O-CD1 3.48Å; V136-L140 PolarHBondContact O-N 2.61Å; V136-L140 VanDerWaalsContact O-N 3.09Å; V136-L167 HydrophobicContact CG1-CD2 4.18Å; V136-L167 HydrophobicContact CG1-CG 4.34Å; V136-L167 HydrophobicContact CG2-CD2 4.24Å; V136-L167 HydrophobicContact CG2-CG 4.19Å; V136-E168 HydrophobicContact CG1-CG 4.05Å; V136-I171 HydrophobicContact CG2-CD1 3.81Å; V136-I171 HydrophobicContact CG2-CG1 4.2Å; V136-I171 HydrophobicContact CG2-CG2 3.75Å |
| 137 | V | 89.3 | Confident | 86.6 | Confident | 59 Ų | 59 | 72.4 Ų | 72.4 | 36% | 0.358 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -53 | -45.9 | -179.9 | 169.4 | 0 | 0 | 0 | 0 | 112.4 | Q132 Q139 L140 S141 | Q132-V137 WeakPolarHBondContact O-CG2 3.38Å; Q132-V137 PolarHBondContact O-N 3.39Å; V137-Q139 VanDerWaalsContact C-N 3.26Å; V137-Q139 PolarHBondContact O-N 3.22Å; V137-L140 PolarHBondContact O-N 3.28Å; V137-S141 PolarHBondContact O-N 3.27Å; V137-S141 PolarHBondContact O-OG 2.88Å |
| 138 | P | 88.1 | Confident | 86.9 | Confident | 60 Ų | 60 | 72.4 Ų | 72.4 | 39% | 0.39 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.9 | -26.2 | 177.1 | -26.5 | 38.2 | 0 | 0 | 0 | 114.5 | Q133 I134 S142 | Q133-P138 WeakPolarHBondContact O-CD 3.25Å; I134-P138 WeakPolarHBondContact O-CG 3.26Å; P138-S142 VanDerWaalsContact O-CB 3.28Å; P138-S142 WeakPolarHBondContact O-CB 3.42Å; P138-S142 PolarHBondContact O-N 3.19Å; P138-S142 VanDerWaalsContact O-N 3.1Å; P138-S142 PolarHBondContact O-OG 3.26Å |
| 139 | Q | 88.7 | Confident | 87.2 | Confident | 11 Ų | 11 | 70.4 Ų | 70.4 | 5% | 0.051 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -74.8 | -33.4 | 172.1 | -70.9 | -172.3 | 74.8 | 0 | 0 | 112.3 | H135 V136 V137 F147 S148 | H135-Q139 PolarHBondContact O-NE2 2.93Å; V136-Q139 WeakPolarHBondContact O-CA 3.39Å; V136-Q139 WeakPolarHBondContact O-CB 3.38Å; V136-Q139 PolarHBondContact O-N 3.25Å; V137-Q139 VanDerWaalsContact C-N 3.26Å; V137-Q139 PolarHBondContact O-N 3.22Å; Q139-F147 HydrophobicContact CB-CD1 4.31Å; Q139-S148 PolarHBondContact NE2-O 3.21Å; Q139-S148 PolarHBondContact OE1-O 3.38Å; Q139-S148 VanDerWaalsContact OE1-O 3.07Å; Q139-S148 PolarHBondContact OE1-OG 2.83Å |
| 140 | L | 85.8 | Confident | 87.5 | Confident | 63 Ų | 63 | 68.2 Ų | 68.2 | 33% | 0.33 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -75.2 | -36.3 | 175.2 | -87.9 | 64.6 | 0 | 0 | 0 | 112.6 | V136 V137 F147 A164 E168 | V136-L140 HydrophobicContact CG1-CD1 3.74Å; V136-L140 WeakPolarHBondContact O-CD1 3.48Å; V136-L140 PolarHBondContact O-N 2.61Å; V136-L140 VanDerWaalsContact O-N 3.09Å; V137-L140 PolarHBondContact O-N 3.28Å; L140-F147 HydrophobicContact CD1-CD1 3.94Å; L140-F147 HydrophobicContact CD1-CE1 3.96Å; L140-F147 HydrophobicContact CG-CE1 4.24Å; L140-A164 HydrophobicContact CD1-CB 4.11Å; L140-A164 HydrophobicContact CD2-CB 4.23Å; L140-A164 HydrophobicContact CG-CB 4.01Å; L140-E168 WeakPolarHBondContact CD2-OE1 3.31Å |
| 141 | S | 83.3 | Confident | 87.6 | Confident | 98 Ų | 98 | 68 Ų | 68 | 69% | 0.685 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -77.5 | -25.6 | 177 | -56.7 | 0 | 0 | 0 | 0 | 113.1 | V137 | V137-S141 PolarHBondContact O-N 3.27Å; V137-S141 PolarHBondContact O-OG 2.88Å |
| 142 | S | 79.3 | Confident | 87.5 | Confident | 51 Ų | 51 | 72.5 Ų | 72.5 | 36% | 0.357 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -69.9 | 143.9 | 170.9 | -65.9 | 0 | 0 | 0 | 0 | 110.7 | P138 R144 | P138-S142 VanDerWaalsContact O-CB 3.28Å; P138-S142 WeakPolarHBondContact O-CB 3.42Å; P138-S142 PolarHBondContact O-N 3.19Å; P138-S142 VanDerWaalsContact O-N 3.1Å; P138-S142 PolarHBondContact O-OG 3.26Å; S142-R144 PolarHBondContact O-N 3.38Å |
| 143 | R | 78.2 | Confident | 87.2 | Confident | 258 Ų | 258 | 75.8 Ų | 75.8 | 97% | 0.974 | 37% | 0.365 | S | S | * | . | trans | -69.1 | 32.1 | 173 | -61.5 | -172 | -175.7 | 175.4 | 2.2 | 114.2 | ||||
| 144 | R | 78.1 | Confident | 87.2 | Confident | 125 Ų | 125 | 71.3 Ų | 71.3 | 47% | 0.472 | 35% | 0.346 | S | S | . | . | trans | -75.6 | 129.5 | 179.8 | -69.1 | -178.4 | -178.3 | -165.6 | 0.3 | 109.3 | S142 Y146 | S142-R144 PolarHBondContact O-N 3.38Å; R144-Y146 PolarHBondContact O-N 3.36Å | ||
| 145 | K | 83.3 | Confident | 87 | Confident | 188 Ų | 188 | 78.6 Ų | 78.6 | 82% | 0.817 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -73.1 | -6.4 | 174.5 | -62.7 | -176.1 | 180 | -179.4 | 0 | 113.3 | ||
| 146 | Y | 89.5 | Confident | 86.9 | Confident | 127 Ų | 127 | 79.9 Ų | 79.9 | 50% | 0.498 | 38% | 0.376 | S | S | . | . | trans | -143.4 | 142.9 | -175.2 | 53.4 | -95 | 0 | 0 | 0 | 111.3 | R144 P160 S161 | R144-Y146 PolarHBondContact O-N 3.36Å; Y146-P160 HydrophobicContact CD2-CB 4.08Å; Y146-P160 HydrophobicContact CG-CB 4.04Å; Y146-S161 CarbonylContact C-O 3.52Å; Y146-S161 WeakPolarHBondContact CA-O 3.06Å | ||
| 147 | F | 91.8 | Very high | 86.9 | Confident | 24 Ų | 24 | 84.2 Ų | 84.2 | 11% | 0.105 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 136 | 179.4 | -53.5 | -73.4 | 0 | 0 | 0 | 108.8 | Q139 L140 S161 V162 S163 A164 L167 | Q139-F147 HydrophobicContact CB-CD1 4.31Å; L140-F147 HydrophobicContact CD1-CD1 3.94Å; L140-F147 HydrophobicContact CD1-CE1 3.96Å; L140-F147 HydrophobicContact CG-CE1 4.24Å; F147-S161 PolarHBondContact N-O 3.06Å; F147-S161 PolarHBondContact O-N 2.92Å; F147-V162 WeakPolarHBondContact CE2-O 3.5Å; F147-S163 VanDerWaalsContact CD2-C 3.49Å; F147-A164 HydrophobicContact CD2-CB 4.16Å; F147-A164 HydrophobicContact CE1-CB 4.25Å; F147-A164 HydrophobicContact CE2-CB 3.81Å; F147-A164 HydrophobicContact CZ-CB 3.86Å; F147-L167 HydrophobicContact CB-CB 4.1Å; F147-L167 HydrophobicContact CB-CD2 3.91Å |
| 148 | S | 92.4 | Very high | 86.9 | Confident | 12 Ų | 12 | 83.3 Ų | 83.3 | 8% | 0.084 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 140 | -175.8 | 62.9 | 0 | 0 | 0 | 0 | 111.3 | Q139 | Q139-S148 PolarHBondContact NE2-O 3.21Å; Q139-S148 PolarHBondContact OE1-O 3.38Å; Q139-S148 VanDerWaalsContact OE1-O 3.07Å; Q139-S148 PolarHBondContact OE1-OG 2.83Å |
| 149 | C | 92.7 | Very high | 87 | Confident | 0 Ų | 0 | 89.1 Ų | 89.1 | 0% | 0 | 41% | 0.412 | C | S | . | . | B | Isolated β-bridge | trans | -83.2 | 129.6 | 169.7 | -175.7 | 0 | 0 | 0 | 0 | 109.7 | W114 W151 V156 F157 G158 L167 H170 H174 | W114-C149 HydrophobicContact CH2-CB 4.47Å; C149-W151 VanDerWaalsContact SG-CB 3.58Å; C149-W151 PolarHBondContact SG-N 3.1Å; C149-V156 HydrophobicContact CB-CG2 4.48Å; C149-F157 CarbonylContact O-C 3.57Å; C149-F157 WeakPolarHBondContact O-CA 3.22Å; C149-G158 PolarHBondContact O-N 3.43Å; C149-L167 HydrophobicContact CB-CD1 4.2Å; C149-H170 WeakPolarHBondContact CB-NE2 3.34Å; C149-H170 PolarHBondContact SG-NE2 3.17Å; C149-H174 PolarHBondContact SG-NE2 3.21Å |
| 150 | L | 93.1 | Very high | 87.1 | Confident | 44 Ų | 44 | 92.8 Ų | 92.8 | 23% | 0.23 | 44% | 0.436 | C | S | . | . | trans | -117.8 | 27.7 | 174.9 | -49.8 | 172.1 | 0 | 0 | 0 | 111.7 | W114 K115 F157 | W114-L150 HydrophobicContact CD2-CB 4.48Å; W114-L150 HydrophobicContact CZ2-CB 3.99Å; W114-L150 HydrophobicContact CZ2-CG 4.32Å; W114-L150 VanDerWaalsContact CZ2-N 3.26Å; K115-L150 HydrophobicContact CB-CB 4Å; K115-L150 WeakPolarHBondContact CB-O 3.45Å; K115-L150 PolarHBondContact N-O 3.23Å; L150-F157 HydrophobicContact CB-CE2 4.18Å; L150-F157 WeakPolarHBondContact O-CE2 3.47Å | ||
| 151 | W | 90.4 | Very high | 87.3 | Confident | 20 Ų | 20 | 91 Ų | 91 | 8% | 0.076 | 43% | 0.429 | C | S | . | . | B | Isolated β-bridge | trans | -76.8 | 126.9 | 173.3 | -172.6 | -93.5 | 0 | 0 | 0 | 110.8 | K113 W114 L127 I131 C149 C154 F157 H174 | K113-W151 HydrophobicContact CB-CD2 3.97Å; K113-W151 HydrophobicContact CB-CE3 4.26Å; K113-W151 HydrophobicContact CB-CH2 4.1Å; K113-W151 HydrophobicContact CB-CZ2 3.75Å; K113-W151 HydrophobicContact CB-CZ3 4.33Å; K113-W151 HydrophobicContact CG-CZ2 4.26Å; K113-W151 VanDerWaalsContact N-CH2 3.31Å; K113-W151 VanDerWaalsContact N-CZ3 3.29Å; W114-W151 HydrophobicContact CB-CE3 4.21Å; W114-W151 HydrophobicContact CE3-CB 4.1Å; W114-W151 AromaticContact CE3-CE3 3.99Å; W114-W151 HydrophobicContact CE3-CE3 3.99Å; W114-W151 HydrophobicContact CZ3-CB 4.35Å; L127-W151 HydrophobicContact CD1-CH2 4.23Å; L127-W151 HydrophobicContact CD2-CH2 4.16Å; I131-W151 HydrophobicContact CD1-CE3 4.07Å; I131-W151 HydrophobicContact CD1-CH2 3.8Å; I131-W151 HydrophobicContact CD1-CZ3 3.39Å; I131-W151 HydrophobicContact CG1-CE3 4.43Å; I131-W151 HydrophobicContact CG1-CZ3 3.79Å; C149-W151 VanDerWaalsContact SG-CB 3.58Å; C149-W151 PolarHBondContact SG-N 3.1Å; W151-C154 HydrophobicContact CB-CB 4.22Å; W151-C154 WeakPolarHBondContact O-CB 3.48Å; W151-C154 PolarHBondContact O-N 3.21Å; W151-C154 VanDerWaalsContact O-N 3.16Å; W151-F157 VanDerWaalsContact O-CD2 3.29Å; W151-F157 WeakPolarHBondContact O-CD2 3.34Å; W151-H174 AromaticContact CD1-CG 3.41Å; W151-H174 VanDerWaalsContact CD1-CG 3.41Å; W151-H174 AromaticContact CD1-ND1 3.18Å; W151-H174 HydrophobicContact CD2-CB 3.81Å; W151-H174 AromaticContact CD2-CG 3.76Å; W151-H174 AromaticContact CE2-CG 3.89Å; W151-H174 HydrophobicContact CE3-CB 4.42Å; W151-H174 HydrophobicContact CG-CB 4.04Å; W151-H174 AromaticContact CG-CD2 3.65Å; W151-H174 AromaticContact CG-CG 3.45Å; W151-H174 VanDerWaalsContact CG-CG 3.45Å; W151-H174 AromaticContact CG-ND1 3.64Å; W151-H174 HydrophobicContact CZ2-CB 4.01Å; W151-H174 AromaticContact NE1-CG 3.7Å; W151-H174 AromaticContact NE1-ND1 3.65Å |
| 152 | Q | 86.4 | Confident | 87.7 | Confident | 96 Ų | 96 | 92.5 Ų | 92.5 | 45% | 0.449 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | 147.2 | 175.9 | -57.4 | 160.7 | 11.5 | 0 | 0 | 110 | K113 C154 | K113-Q152 HydrophobicContact CB-CB 4.15Å; K113-Q152 VanDerWaalsContact O-CG 3.25Å; K113-Q152 WeakPolarHBondContact O-CG 3.46Å; K113-Q152 PolarHBondContact O-N 3.25Å; Q152-C154 PolarHBondContact O-N 3.21Å |
| 153 | D | 83.3 | Confident | 88.3 | Confident | 135 Ų | 135 | 92.6 Ų | 92.6 | 72% | 0.722 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.2 | 6.6 | -173.6 | -42.6 | -42.7 | 0 | 0 | 0 | 115.3 | K113 | K113-D153 IonicContact NZ-OD2 3.38Å; K113-D153 PolarHBondContact NZ-OD2 3.16Å |
| 154 | C | 87.1 | Confident | 88.9 | Confident | 12 Ų | 12 | 81.7 Ų | 81.7 | 8% | 0.081 | 40% | 0.399 | C | S | . | . | trans | -75.7 | 131.3 | 175.9 | -178.6 | 0 | 0 | 0 | 0 | 112.9 | W151 Q152 V156 F157 H170 H174 | W151-C154 HydrophobicContact CB-CB 4.22Å; W151-C154 WeakPolarHBondContact O-CB 3.48Å; W151-C154 PolarHBondContact O-N 3.21Å; W151-C154 VanDerWaalsContact O-N 3.16Å; Q152-C154 PolarHBondContact O-N 3.21Å; C154-V156 PolarHBondContact O-N 3.38Å; C154-V156 WeakPolarHBondContact SG-CG2 3.46Å; C154-V156 PolarHBondContact SG-N 3.45Å; C154-V156 VanDerWaalsContact SG-N 3.35Å; C154-F157 HydrophobicContact CB-CB 4.16Å; C154-F157 VanDerWaalsContact O-CB 3.23Å; C154-F157 WeakPolarHBondContact O-CB 3.42Å; C154-F157 PolarHBondContact O-N 2.77Å; C154-F157 VanDerWaalsContact O-N 3.14Å; C154-H170 PolarHBondContact SG-CE1 3.17Å; C154-H170 PolarHBondContact SG-NE2 3.43Å; C154-H174 WeakPolarHBondContact CB-CE1 3.32Å; C154-H174 PolarHBondContact SG-CE1 3Å | ||
| 155 | R | 87.3 | Confident | 89.5 | Confident | 246 Ų | 246 | 78.4 Ų | 78.4 | 93% | 0.928 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -23 | 176 | -65.4 | -175.5 | 176.8 | -145.7 | -4.7 | 115 | ||
| 156 | V | 88.3 | Confident | 89.9 | Confident | 44 Ų | 44 | 73.6 Ų | 73.6 | 27% | 0.267 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.9 | 23.4 | 178.5 | -64.3 | 0 | 0 | 0 | 0 | 111.5 | C149 C154 G158 R159 W166 H170 | C149-V156 HydrophobicContact CB-CG2 4.48Å; C154-V156 PolarHBondContact O-N 3.38Å; C154-V156 WeakPolarHBondContact SG-CG2 3.46Å; C154-V156 PolarHBondContact SG-N 3.45Å; C154-V156 VanDerWaalsContact SG-N 3.35Å; V156-G158 PolarHBondContact O-N 3.3Å; V156-R159 HydrophobicContact CB-CB 4.31Å; V156-R159 HydrophobicContact CB-CG 4.47Å; V156-R159 WeakPolarHBondContact O-CB 3.47Å; V156-R159 PolarHBondContact O-N 2.89Å; V156-W166 HydrophobicContact CB-CH2 4.3Å; V156-W166 HydrophobicContact CB-CZ2 4.3Å; V156-W166 HydrophobicContact CG2-CH2 3.8Å; V156-W166 HydrophobicContact CG2-CZ2 3.83Å; V156-H170 WeakPolarHBondContact CG2-CE1 3.19Å; V156-H170 WeakPolarHBondContact CG2-NE2 3.42Å |
| 157 | F | 89.3 | Confident | 90 | Very high | 96 Ų | 96 | 67.6 Ų | 67.6 | 42% | 0.421 | 35% | 0.352 | S | S | . | . | B | Isolated β-bridge | trans | -52.2 | 127.5 | 175.8 | -179.6 | -97.1 | 0 | 0 | 0 | 111.2 | K115 C149 L150 W151 C154 R159 | K115-F157 HydrophobicContact CB-CE2 4.44Å; K115-F157 HydrophobicContact CD-CZ 4.26Å; C149-F157 CarbonylContact O-C 3.57Å; C149-F157 WeakPolarHBondContact O-CA 3.22Å; L150-F157 HydrophobicContact CB-CE2 4.18Å; L150-F157 WeakPolarHBondContact O-CE2 3.47Å; W151-F157 VanDerWaalsContact O-CD2 3.29Å; W151-F157 WeakPolarHBondContact O-CD2 3.34Å; C154-F157 HydrophobicContact CB-CB 4.16Å; C154-F157 VanDerWaalsContact O-CB 3.23Å; C154-F157 WeakPolarHBondContact O-CB 3.42Å; C154-F157 PolarHBondContact O-N 2.77Å; C154-F157 VanDerWaalsContact O-N 3.14Å; F157-R159 PolarHBondContact O-N 3.28Å; F157-R159 VanDerWaalsContact O-N 3.1Å |
| 158 | G | 88.9 | Confident | 89.9 | Confident | 40 Ų | 40 | 70.3 Ų | 70.3 | 41% | 0.412 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.2 | 0.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | C149 V156 P160 | C149-G158 PolarHBondContact O-N 3.43Å; V156-G158 PolarHBondContact O-N 3.3Å; G158-P160 WeakPolarHBondContact O-CD 3.24Å |
| 159 | R | 90 | Very high | 89.7 | Confident | 181 Ų | 181 | 75.6 Ų | 75.6 | 68% | 0.683 | 39% | 0.389 | S | S | * | . | trans | -78.6 | 123.8 | 178.6 | -65.1 | -67.6 | -179.1 | 166.4 | -2.5 | 110 | V156 F157 | V156-R159 HydrophobicContact CB-CB 4.31Å; V156-R159 HydrophobicContact CB-CG 4.47Å; V156-R159 WeakPolarHBondContact O-CB 3.47Å; V156-R159 PolarHBondContact O-N 2.89Å; F157-R159 PolarHBondContact O-N 3.28Å; F157-R159 VanDerWaalsContact O-N 3.1Å | ||
| 160 | P | 90.9 | Very high | 89.5 | Confident | 88 Ų | 88 | 76.7 Ų | 76.7 | 57% | 0.571 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 137.1 | 177.5 | 29.1 | -33.5 | 0 | 0 | 0 | 111.2 | Y146 G158 | Y146-P160 HydrophobicContact CD2-CB 4.08Å; Y146-P160 HydrophobicContact CG-CB 4.04Å; G158-P160 WeakPolarHBondContact O-CD 3.24Å |
| 161 | S | 90.2 | Very high | 89.2 | Confident | 25 Ų | 25 | 74.7 Ų | 74.7 | 18% | 0.175 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 142.5 | 170.6 | 178.6 | 0 | 0 | 0 | 0 | 109.5 | Y146 F147 S163 | Y146-S161 CarbonylContact C-O 3.52Å; Y146-S161 WeakPolarHBondContact CA-O 3.06Å; F147-S161 PolarHBondContact N-O 3.06Å; F147-S161 PolarHBondContact O-N 2.92Å; S161-S163 VanDerWaalsContact C-N 3.29Å; S161-S163 PolarHBondContact OG-N 3.48Å |
| 162 | V | 90.9 | Very high | 89 | Confident | 131 Ų | 131 | 76 Ų | 76 | 79% | 0.794 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -79 | -15.9 | 177.9 | -172.4 | 0 | 0 | 0 | 0 | 111.6 | F147 | F147-V162 WeakPolarHBondContact CE2-O 3.5Š|
| 163 | S | 91.7 | Very high | 88.8 | Confident | 53 Ų | 53 | 76.7 Ų | 76.7 | 37% | 0.371 | 39% | 0.394 | S | S | . | . | trans | -99.4 | 120 | -174.9 | 179 | 0 | 0 | 0 | 0 | 112.5 | F147 S161 W166 L167 | F147-S163 VanDerWaalsContact CD2-C 3.49Å; S161-S163 VanDerWaalsContact C-N 3.29Å; S161-S163 PolarHBondContact OG-N 3.48Å; S163-W166 WeakPolarHBondContact O-CB 3.3Å; S163-W166 PolarHBondContact O-N 3.48Å; S163-W166 PolarHBondContact OG-N 3.04Å; S163-W166 VanDerWaalsContact OG-N 3.11Å; S163-L167 PolarHBondContact O-N 3.1Å | ||
| 164 | A | 90.9 | Very high | 88.6 | Confident | 28 Ų | 28 | 72.2 Ų | 72.2 | 23% | 0.231 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63.4 | -45 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L140 F147 W166 L167 E168 | L140-A164 HydrophobicContact CD1-CB 4.11Å; L140-A164 HydrophobicContact CD2-CB 4.23Å; L140-A164 HydrophobicContact CG-CB 4.01Å; F147-A164 HydrophobicContact CD2-CB 4.16Å; F147-A164 HydrophobicContact CE1-CB 4.25Å; F147-A164 HydrophobicContact CE2-CB 3.81Å; F147-A164 HydrophobicContact CZ-CB 3.86Å; A164-W166 PolarHBondContact O-N 2.84Å; A164-L167 WeakPolarHBondContact O-CA 3.36Å; A164-L167 WeakPolarHBondContact O-CB 3.24Å; A164-L167 PolarHBondContact O-N 2.99Å; A164-E168 PolarHBondContact O-N 3.35Å |
| 165 | A | 90.5 | Very high | 88 | Confident | 56 Ų | 56 | 72.4 Ų | 72.4 | 46% | 0.463 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -59.3 | -33 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q169 | A165-Q169 WeakPolarHBondContact O-CG 3.36Å; A165-Q169 PolarHBondContact O-N 2.82Å |
| 166 | W | 92.5 | Very high | 86.7 | Confident | 88 Ų | 88 | 62 Ų | 62 | 33% | 0.333 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.6 | -44.6 | 170.6 | 171.8 | 90 | 0 | 0 | 0 | 111.8 | V156 S163 A164 Q169 H170 | V156-W166 HydrophobicContact CB-CH2 4.3Å; V156-W166 HydrophobicContact CB-CZ2 4.3Å; V156-W166 HydrophobicContact CG2-CH2 3.8Å; V156-W166 HydrophobicContact CG2-CZ2 3.83Å; S163-W166 WeakPolarHBondContact O-CB 3.3Å; S163-W166 PolarHBondContact O-N 3.48Å; S163-W166 PolarHBondContact OG-N 3.04Å; S163-W166 VanDerWaalsContact OG-N 3.11Å; A164-W166 PolarHBondContact O-N 2.84Å; W166-Q169 PolarHBondContact O-N 2.86Å; W166-H170 HydrophobicContact CD2-CB 4.44Å; W166-H170 HydrophobicContact CZ2-CB 4.46Å; W166-H170 WeakPolarHBondContact O-CB 3.24Å; W166-H170 PolarHBondContact O-N 3.1Å |
| 167 | L | 91.8 | Very high | 85.2 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -65.6 | -44.5 | 179.7 | -178.9 | 62.1 | 0 | 0 | 0 | 110.9 | W114 V136 F147 C149 S163 A164 Q169 H170 I171 | W114-L167 HydrophobicContact CH2-CD1 4.48Å; V136-L167 HydrophobicContact CG1-CD2 4.18Å; V136-L167 HydrophobicContact CG1-CG 4.34Å; V136-L167 HydrophobicContact CG2-CD2 4.24Å; V136-L167 HydrophobicContact CG2-CG 4.19Å; F147-L167 HydrophobicContact CB-CB 4.1Å; F147-L167 HydrophobicContact CB-CD2 3.91Å; C149-L167 HydrophobicContact CB-CD1 4.2Å; S163-L167 PolarHBondContact O-N 3.1Å; A164-L167 WeakPolarHBondContact O-CA 3.36Å; A164-L167 WeakPolarHBondContact O-CB 3.24Å; A164-L167 PolarHBondContact O-N 2.99Å; L167-Q169 PolarHBondContact O-N 3Å; L167-H170 PolarHBondContact O-N 2.78Å; L167-I171 HydrophobicContact CD1-CG2 4.16Å; L167-I171 WeakPolarHBondContact O-CG1 3.44Å; L167-I171 PolarHBondContact O-N 3.26Å |
| 168 | E | 89.4 | Confident | 83.6 | Confident | 81 Ų | 81 | 66.9 Ų | 66.9 | 38% | 0.379 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -58.3 | -43.2 | 176.8 | -70.3 | 179.4 | 172 | 0 | 0 | 113 | V136 L140 A164 I171 | V136-E168 HydrophobicContact CG1-CG 4.05Å; L140-E168 WeakPolarHBondContact CD2-OE1 3.31Å; A164-E168 PolarHBondContact O-N 3.35Å; E168-I171 WeakPolarHBondContact O-CG1 3.39Å |
| 169 | Q | 88.1 | Confident | 82.3 | Confident | 123 Ų | 123 | 67 Ų | 67 | 58% | 0.575 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -72.5 | -37.4 | 174.8 | -66.9 | -59.3 | -57.8 | 0 | 0 | 111.7 | A165 W166 L167 I171 L172 | A165-Q169 WeakPolarHBondContact O-CG 3.36Å; A165-Q169 PolarHBondContact O-N 2.82Å; W166-Q169 PolarHBondContact O-N 2.86Å; L167-Q169 PolarHBondContact O-N 3Å; Q169-I171 PolarHBondContact O-N 3.09Å; Q169-L172 WeakPolarHBondContact O-CB 3.39Å; Q169-L172 PolarHBondContact O-N 3.01Å |
| 170 | H | 88.6 | Confident | 81.2 | Confident | 24 Ų | 24 | 61.6 Ų | 61.6 | 11% | 0.111 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.5 | -42.3 | -177.9 | 171.8 | 65.4 | 0 | 0 | 0 | 112.6 | C149 C154 V156 W166 L167 L172 H173 H174 | C149-H170 WeakPolarHBondContact CB-NE2 3.34Å; C149-H170 PolarHBondContact SG-NE2 3.17Å; C154-H170 PolarHBondContact SG-CE1 3.17Å; C154-H170 PolarHBondContact SG-NE2 3.43Å; V156-H170 WeakPolarHBondContact CG2-CE1 3.19Å; V156-H170 WeakPolarHBondContact CG2-NE2 3.42Å; W166-H170 HydrophobicContact CD2-CB 4.44Å; W166-H170 HydrophobicContact CZ2-CB 4.46Å; W166-H170 WeakPolarHBondContact O-CB 3.24Å; W166-H170 PolarHBondContact O-N 3.1Å; L167-H170 PolarHBondContact O-N 2.78Å; H170-L172 PolarHBondContact O-N 3.36Å; H170-H173 WeakPolarHBondContact O-CB 3.41Å; H170-H173 PolarHBondContact O-N 3.01Å; H170-H174 AromaticContact CD2-NE2 2.87Å; H170-H174 PolarHBondContact CD2-NE2 3.22Å; H170-H174 AromaticContact CE1-CE1 3.5Å; H170-H174 PolarHBondContact CE1-CE1 3.1Å; H170-H174 VanDerWaalsContact CE1-CE1 3.5Å; H170-H174 AromaticContact CE1-NE2 3.17Å; H170-H174 PolarHBondContact CE1-NE2 2.76Å; H170-H174 AromaticContact CG-NE2 3.92Å; H170-H174 AromaticContact NE2-CE1 3.4Å; H170-H174 PolarHBondContact NE2-CE1 2.98Å; H170-H174 AromaticContact NE2-NE2 2.22Å; H170-H174 PolarHBondContact NE2-NE2 3.25Å |
| 171 | I | 87.8 | Confident | 80.5 | Confident | 2 Ų | 2 | 61.7 Ų | 61.7 | 1% | 0.01 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63.8 | -23.8 | -179.1 | 56.2 | 145.3 | 0 | 0 | 0 | 114 | W114 I131 Q132 V136 L167 E168 Q169 H173 H174 | W114-I171 HydrophobicContact CH2-CG2 4.23Å; W114-I171 HydrophobicContact CZ3-CG2 3.84Å; I131-I171 HydrophobicContact CG2-CB 3.95Å; I131-I171 HydrophobicContact CG2-CD1 3.98Å; I131-I171 HydrophobicContact CG2-CG2 3.88Å; Q132-I171 HydrophobicContact CB-CD1 4.47Å; Q132-I171 HydrophobicContact CG-CD1 3.37Å; V136-I171 HydrophobicContact CG2-CD1 3.81Å; V136-I171 HydrophobicContact CG2-CG1 4.2Å; V136-I171 HydrophobicContact CG2-CG2 3.75Å; L167-I171 HydrophobicContact CD1-CG2 4.16Å; L167-I171 WeakPolarHBondContact O-CG1 3.44Å; L167-I171 PolarHBondContact O-N 3.26Å; E168-I171 WeakPolarHBondContact O-CG1 3.39Å; Q169-I171 PolarHBondContact O-N 3.09Å; I171-H173 PolarHBondContact O-N 3.42Å; I171-H174 PolarHBondContact O-N 3.35Å |
| 172 | L | 84.5 | Confident | 80.1 | Confident | 48 Ų | 48 | 64 Ų | 64 | 25% | 0.251 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -59 | -30.8 | 174.4 | -57 | 175.7 | 0 | 0 | 0 | 111 | I128 Q169 H170 H174 T175 | I128-L172 HydrophobicContact CG2-CD2 4.04Å; Q169-L172 WeakPolarHBondContact O-CB 3.39Å; Q169-L172 PolarHBondContact O-N 3.01Å; H170-L172 PolarHBondContact O-N 3.36Å; L172-H174 VanDerWaalsContact C-N 3.29Å; L172-H174 PolarHBondContact O-N 3.28Å; L172-T175 PolarHBondContact O-N 2.91Å; L172-T175 PolarHBondContact O-OG1 3.19Å |
| 173 | H | 82.1 | Confident | 79.9 | Confident | 109 Ų | 109 | 66.1 Ų | 66.1 | 51% | 0.505 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -11.1 | 177.1 | -65.6 | -49.2 | 0 | 0 | 0 | 115.2 | H170 I171 D176 | H170-H173 WeakPolarHBondContact O-CB 3.41Å; H170-H173 PolarHBondContact O-N 3.01Å; I171-H173 PolarHBondContact O-N 3.42Å; H173-D176 IonicContact ND1-OD1 3.05Å; H173-D176 PolarHBondContact ND1-OD1 2.93Å; H173-D176 IonicContact ND1-OD2 3.83Å; H173-D176 VanDerWaalsContact O-CB 3.27Å; H173-D176 WeakPolarHBondContact O-CB 3.5Å; H173-D176 VanDerWaalsContact O-CG 3.28Å |
| 174 | H | 80.8 | Confident | 79.7 | Confident | 41 Ų | 41 | 63.9 Ų | 63.9 | 19% | 0.19 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -31.9 | 171.2 | -65.4 | -39 | 0 | 0 | 0 | 111.6 | C149 W151 C154 H170 I171 L172 D176 | C149-H174 PolarHBondContact SG-NE2 3.21Å; W151-H174 AromaticContact CD1-CG 3.41Å; W151-H174 VanDerWaalsContact CD1-CG 3.41Å; W151-H174 AromaticContact CD1-ND1 3.18Å; W151-H174 HydrophobicContact CD2-CB 3.81Å; W151-H174 AromaticContact CD2-CG 3.76Å; W151-H174 AromaticContact CE2-CG 3.89Å; W151-H174 HydrophobicContact CE3-CB 4.42Å; W151-H174 HydrophobicContact CG-CB 4.04Å; W151-H174 AromaticContact CG-CD2 3.65Å; W151-H174 AromaticContact CG-CG 3.45Å; W151-H174 VanDerWaalsContact CG-CG 3.45Å; W151-H174 AromaticContact CG-ND1 3.64Å; W151-H174 HydrophobicContact CZ2-CB 4.01Å; W151-H174 AromaticContact NE1-CG 3.7Å; W151-H174 AromaticContact NE1-ND1 3.65Å; C154-H174 WeakPolarHBondContact CB-CE1 3.32Å; C154-H174 PolarHBondContact SG-CE1 3Å; H170-H174 AromaticContact CD2-NE2 2.87Å; H170-H174 PolarHBondContact CD2-NE2 3.22Å; H170-H174 AromaticContact CE1-CE1 3.5Å; H170-H174 PolarHBondContact CE1-CE1 3.1Å; H170-H174 VanDerWaalsContact CE1-CE1 3.5Å; H170-H174 AromaticContact CE1-NE2 3.17Å; H170-H174 PolarHBondContact CE1-NE2 2.76Å; H170-H174 AromaticContact CG-NE2 3.92Å; H170-H174 AromaticContact NE2-CE1 3.4Å; H170-H174 PolarHBondContact NE2-CE1 2.98Å; H170-H174 AromaticContact NE2-NE2 2.22Å; H170-H174 PolarHBondContact NE2-NE2 3.25Å; I171-H174 PolarHBondContact O-N 3.35Å; L172-H174 VanDerWaalsContact C-N 3.29Å; L172-H174 PolarHBondContact O-N 3.28Å; H174-D176 VanDerWaalsContact C-N 3.27Å; H174-D176 PolarHBondContact O-N 3.32Å |
| 175 | T | 73.1 | Confident | 79.5 | Confident | 17 Ų | 17 | 68.3 Ų | 68.3 | 10% | 0.104 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -92.3 | 26 | -179.3 | 63.5 | 0 | 0 | 0 | 0 | 113.2 | L127 I128 I131 L172 A177 | L127-T175 HydrophobicContact CD2-CG2 4Å; L127-T175 HydrophobicContact CG-CG2 3.98Å; I128-T175 HydrophobicContact CB-CG2 4.46Å; I128-T175 WeakPolarHBondContact CD1-OG1 3.44Å; I128-T175 HydrophobicContact CG1-CG2 3.54Å; I128-T175 WeakPolarHBondContact CG1-OG1 3.42Å; I131-T175 HydrophobicContact CD1-CG2 3.66Å; L172-T175 PolarHBondContact O-N 2.91Å; L172-T175 PolarHBondContact O-OG1 3.19Å; T175-A177 PolarHBondContact O-N 3.42Å |
| 176 | D | 61 | Low | 79.4 | Confident | 26 Ų | 26 | 69 Ų | 69 | 14% | 0.139 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | 26.8 | -151.8 | -127.9 | 0.5 | 0 | 0 | 0 | 118.5 | H173 H174 K178 K180 | H173-D176 IonicContact ND1-OD1 3.05Å; H173-D176 PolarHBondContact ND1-OD1 2.93Å; H173-D176 IonicContact ND1-OD2 3.83Å; H173-D176 VanDerWaalsContact O-CB 3.27Å; H173-D176 WeakPolarHBondContact O-CB 3.5Å; H173-D176 VanDerWaalsContact O-CG 3.28Å; H174-D176 VanDerWaalsContact C-N 3.27Å; H174-D176 PolarHBondContact O-N 3.32Å; D176-K178 PolarHBondContact O-N 3.19Å; D176-K180 VanDerWaalsContact OD2-CD 3.31Å; D176-K180 WeakPolarHBondContact OD2-CD 3.47Å; D176-K180 WeakPolarHBondContact OD2-CE 3.27Å; D176-K180 IonicContact OD2-NZ 2.67Å; D176-K180 PolarHBondContact OD2-NZ 3.22Å |
| 177 | A | 56.1 | Low | 78.7 | Confident | 75 Ų | 75 | 72.9 Ų | 72.9 | 62% | 0.62 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -24.6 | 155.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | T175 G179 | T175-A177 PolarHBondContact O-N 3.42Å; A177-G179 PolarHBondContact O-N 3.43Å |
| 178 | K | 56.5 | Low | 78.3 | Confident | 169 Ų | 169 | 78.2 Ų | 78.2 | 74% | 0.735 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | 66.9 | -178.2 | -156.5 | 178.3 | -172.9 | -178.8 | 0 | 113.2 | D176 | D176-K178 PolarHBondContact O-N 3.19Š|
| 179 | G | 59.9 | Low | 78 | Confident | 42 Ų | 42 | 75.3 Ų | 75.3 | 43% | 0.433 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 155.8 | -15.5 | 167.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | A177 P181 S194 | A177-G179 PolarHBondContact O-N 3.43Å; G179-P181 WeakPolarHBondContact O-CD 3.18Å; G179-S194 WeakPolarHBondContact O-CA 3.43Å; G179-S194 VanDerWaalsContact O-CB 3.24Å; G179-S194 WeakPolarHBondContact O-CB 3.32Å |
| 180 | K | 67.9 | Low | 77.7 | Confident | 68 Ų | 68 | 75.9 Ų | 75.9 | 30% | 0.296 | 41% | 0.409 | S | S | . | . | trans | -123.1 | 75.5 | -175.6 | -62.3 | 175.6 | -176 | 160.1 | 0 | 112.6 | D176 F182 R192 F193 | D176-K180 VanDerWaalsContact OD2-CD 3.31Å; D176-K180 WeakPolarHBondContact OD2-CD 3.47Å; D176-K180 WeakPolarHBondContact OD2-CE 3.27Å; D176-K180 IonicContact OD2-NZ 2.67Å; D176-K180 PolarHBondContact OD2-NZ 3.22Å; K180-F182 VanDerWaalsContact C-N 3.27Å; K180-F182 PolarHBondContact O-N 3.06Å; K180-R192 HydrophobicContact CB-CB 3.81Å; K180-R192 HydrophobicContact CD-CB 4.3Å; K180-R192 PolarHBondContact O-NE 3Å; K180-R192 PolarHBondContact O-NH2 2.94Å; K180-F193 CarbonylContact C-O 3.52Å; K180-F193 VanDerWaalsContact CA-O 3.24Å; K180-F193 WeakPolarHBondContact CA-O 3.44Å | ||
| 181 | P | 76.1 | Confident | 77.3 | Confident | 90 Ų | 90 | 78.6 Ų | 78.6 | 58% | 0.584 | 42% | 0.424 | S | S | * | . | trans | -71.6 | -21.1 | -179.3 | 28.5 | -32.6 | 0 | 0 | 0 | 113 | G179 | G179-P181 WeakPolarHBondContact O-CD 3.18Š| ||
| 182 | F | 82.1 | Confident | 77.2 | Confident | 74 Ų | 74 | 84.3 Ų | 84.3 | 33% | 0.325 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 102.7 | -175.9 | -55.3 | -76.9 | 0 | 0 | 0 | 110.8 | K180 R192 F193 S196 L199 | K180-F182 VanDerWaalsContact C-N 3.27Å; K180-F182 PolarHBondContact O-N 3.06Å; F182-R192 CarbonylContact O-C 3.6Å; F182-R192 WeakPolarHBondContact O-CA 3.27Å; F182-F193 HydrophobicContact CB-CB 4.34Å; F182-F193 PolarHBondContact N-O 3.37Å; F182-F193 PolarHBondContact O-N 2.83Å; F182-S196 VanDerWaalsContact CD2-N 3.33Å; F182-L199 HydrophobicContact CB-CB 3.99Å; F182-L199 HydrophobicContact CB-CD2 3.82Å |
| 183 | R | 85.9 | Confident | 77.1 | Confident | 174 Ų | 174 | 83.6 Ų | 83.6 | 66% | 0.657 | 44% | 0.44 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 155.5 | 170.4 | 68.1 | 174.9 | -168.4 | -87.9 | 6 | 111.1 | R192 L199 | R183-R192 HydrophobicContact CB-CG 4.33Å; R183-L199 WeakPolarHBondContact O-CD1 3.41Å; R183-L199 WeakPolarHBondContact O-CD2 3.42Å |
| 184 | C | 88.1 | Confident | 77.1 | Confident | 7 Ų | 7 | 81.4 Ų | 81.4 | 5% | 0.047 | 44% | 0.437 | C | S | . | . | trans | -61 | 148.6 | 166.1 | -161.8 | 0 | 0 | 0 | 0 | 111 | C189 L191 L199 H202 | C184-C189 HydrophobicContact CB-CB 3.88Å; C184-C189 WeakPolarHBondContact CB-O 3.46Å; C184-L191 PolarHBondContact N-O 3.09Å; C184-L199 HydrophobicContact CB-CD1 4.36Å; C184-H202 PolarHBondContact SG-NE2 3.27Å | ||
| 185 | I | 87.6 | Confident | 77.3 | Confident | 121 Ų | 121 | 82.5 Ų | 82.5 | 62% | 0.621 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -89.7 | -9.5 | 179 | 61 | 173.2 | 0 | 0 | 0 | 113.1 | V203 | I185-V203 HydrophobicContact CG1-CG2 4.43Š|
| 186 | F | 86.7 | Confident | 78.1 | Confident | 70 Ų | 70 | 84.6 Ų | 84.6 | 31% | 0.307 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -92.4 | 124.7 | 177.6 | -71.4 | -93 | 0 | 0 | 0 | 109.3 | S188 C189 V203 H207 M208 | F186-S188 PolarHBondContact O-N 3.19Å; F186-C189 HydrophobicContact CB-CB 4.32Å; F186-C189 PolarHBondContact O-N 3.16Å; F186-V203 HydrophobicContact CE2-CG1 4.17Å; F186-H207 HydrophobicContact CD1-CB 4.39Å; F186-H207 AromaticContact CD1-ND1 3.78Å; F186-H207 HydrophobicContact CD2-CB 3.76Å; F186-H207 AromaticContact CD2-CD2 3.52Å; F186-H207 AromaticContact CD2-CE1 4Å; F186-H207 AromaticContact CD2-CG 3.36Å; F186-H207 AromaticContact CD2-ND1 3.68Å; F186-H207 AromaticContact CD2-NE2 3.94Å; F186-H207 HydrophobicContact CE1-CB 4.07Å; F186-H207 HydrophobicContact CE2-CB 3.41Å; F186-H207 VanDerWaalsContact CE2-CB 3.41Å; F186-H207 AromaticContact CE2-CG 3.6Å; F186-H207 HydrophobicContact CG-CB 4.26Å; F186-H207 AromaticContact CG-CE1 3.72Å; F186-H207 AromaticContact CG-CG 3.67Å; F186-H207 AromaticContact CG-ND1 3.46Å; F186-H207 WeakPolarHBondContact CG-ND1 3.4Å; F186-H207 HydrophobicContact CZ-CB 3.58Å; F186-M208 HydrophobicContact CE2-CE 3.97Å; F186-M208 HydrophobicContact CZ-CE 3.69Å |
| 187 | D | 79 | Confident | 79.5 | Confident | 170 Ų | 170 | 86.9 Ų | 86.9 | 91% | 0.909 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -25.6 | -174.5 | -61.8 | -46.2 | 0 | 0 | 0 | 113.5 | C189 | D187-C189 PolarHBondContact O-N 2.81Š|
| 188 | S | 83.4 | Confident | 81.1 | Confident | 112 Ų | 112 | 86.2 Ų | 86.2 | 78% | 0.783 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -4.2 | 171.7 | 59.5 | 0 | 0 | 0 | 0 | 114.4 | F186 | F186-S188 PolarHBondContact O-N 3.19Š|
| 189 | C | 81.9 | Confident | 82.7 | Confident | 20 Ų | 20 | 79.3 Ų | 79.3 | 14% | 0.135 | 43% | 0.434 | C | S | . | . | trans | -123.7 | 105.3 | -174.5 | -173.5 | 0 | 0 | 0 | 0 | 112.9 | C184 F186 D187 L191 H202 | C184-C189 HydrophobicContact CB-CB 3.88Å; C184-C189 WeakPolarHBondContact CB-O 3.46Å; F186-C189 HydrophobicContact CB-CB 4.32Å; F186-C189 PolarHBondContact O-N 3.16Å; D187-C189 PolarHBondContact O-N 2.81Å; C189-L191 PolarHBondContact O-N 3.17Å; C189-H202 PolarHBondContact SG-CE1 3.05Å; C189-H202 PolarHBondContact SG-NE2 3.17Å | ||
| 190 | T | 82.2 | Confident | 84.3 | Confident | 135 Ų | 135 | 83.4 Ų | 83.4 | 83% | 0.828 | 44% | 0.442 | S | S | * | . | trans | -79.6 | 4 | 179.3 | 56.4 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 191 | L | 81.6 | Confident | 85.4 | Confident | 81 Ų | 81 | 86 Ų | 86 | 42% | 0.424 | 45% | 0.45 | S | S | . | . | trans | -70.1 | 140.2 | -174.8 | -65.6 | 176.1 | 0 | 0 | 0 | 112.9 | C184 C189 F193 | C184-L191 PolarHBondContact N-O 3.09Å; C189-L191 PolarHBondContact O-N 3.17Å; L191-F193 HydrophobicContact CB-CE2 3.81Å; L191-F193 HydrophobicContact CB-CZ 3.58Å; L191-F193 HydrophobicContact CD1-CZ 4.19Å | ||
| 192 | R | 84.4 | Confident | 86.1 | Confident | 121 Ų | 121 | 82.6 Ų | 82.6 | 46% | 0.457 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 149.7 | 176.1 | -51.9 | -177.5 | 69.4 | 105 | -0.1 | 110.7 | K180 F182 R183 | K180-R192 HydrophobicContact CB-CB 3.81Å; K180-R192 HydrophobicContact CD-CB 4.3Å; K180-R192 PolarHBondContact O-NE 3Å; K180-R192 PolarHBondContact O-NH2 2.94Å; F182-R192 CarbonylContact O-C 3.6Å; F182-R192 WeakPolarHBondContact O-CA 3.27Å; R183-R192 HydrophobicContact CB-CG 4.33Å |
| 193 | F | 83.6 | Confident | 86.6 | Confident | 33 Ų | 33 | 80 Ų | 80 | 15% | 0.145 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 145.2 | -170.9 | -54.8 | -82.7 | 0 | 0 | 0 | 111.5 | K180 F182 L191 T195 L198 L199 H202 | K180-F193 CarbonylContact C-O 3.52Å; K180-F193 VanDerWaalsContact CA-O 3.24Å; K180-F193 WeakPolarHBondContact CA-O 3.44Å; F182-F193 HydrophobicContact CB-CB 4.34Å; F182-F193 PolarHBondContact N-O 3.37Å; F182-F193 PolarHBondContact O-N 2.83Å; L191-F193 HydrophobicContact CB-CE2 3.81Å; L191-F193 HydrophobicContact CB-CZ 3.58Å; L191-F193 HydrophobicContact CD1-CZ 4.19Å; F193-T195 VanDerWaalsContact C-N 3.31Å; F193-L198 HydrophobicContact CB-CB 3.89Å; F193-L198 HydrophobicContact CD1-CB 3.94Å; F193-L198 HydrophobicContact CG-CB 4.22Å; F193-L199 HydrophobicContact CB-CB 4.1Å; F193-L199 HydrophobicContact CD2-CB 3.69Å; F193-L199 HydrophobicContact CD2-CD1 3.77Å; F193-L199 HydrophobicContact CD2-CG 4.34Å; F193-L199 HydrophobicContact CE2-CD1 3.91Å; F193-L199 HydrophobicContact CG-CB 4.05Å; F193-H202 HydrophobicContact CE1-CB 3.72Å; F193-H202 HydrophobicContact CE2-CB 4.02Å; F193-H202 AromaticContact CE2-CD2 3.3Å; F193-H202 WeakPolarHBondContact CE2-CD2 3.29Å; F193-H202 AromaticContact CE2-CG 3.8Å; F193-H202 HydrophobicContact CZ-CB 3.38Å; F193-H202 AromaticContact CZ-CD2 3.24Å; F193-H202 WeakPolarHBondContact CZ-CD2 3.38Å; F193-H202 AromaticContact CZ-CG 3.24Å; F193-H202 AromaticContact CZ-NE2 4Å |
| 194 | S | 81.3 | Confident | 86.7 | Confident | 64 Ų | 64 | 77 Ų | 77 | 45% | 0.448 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -81.5 | -8.7 | -179 | 50.8 | 0 | 0 | 0 | 0 | 114.3 | G179 | G179-S194 WeakPolarHBondContact O-CA 3.43Å; G179-S194 VanDerWaalsContact O-CB 3.24Å; G179-S194 WeakPolarHBondContact O-CB 3.32Å |
| 195 | T | 84.8 | Confident | 86.8 | Confident | 64 Ų | 64 | 83.2 Ų | 83.2 | 39% | 0.393 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -149.2 | 144.3 | -179.1 | -40.1 | 0 | 0 | 0 | 0 | 109.5 | F193 T197 L198 L199 | F193-T195 VanDerWaalsContact C-N 3.31Å; T195-T197 WeakPolarHBondContact CG2-OG1 3.39Å; T195-T197 PolarHBondContact O-N 3.42Å; T195-L198 WeakPolarHBondContact O-CB 3.3Å; T195-L198 PolarHBondContact O-N 2.92Å; T195-L199 PolarHBondContact O-N 3.41Å |
| 196 | S | 89.2 | Confident | 86.7 | Confident | 60 Ų | 60 | 81.8 Ų | 81.8 | 42% | 0.42 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -53.7 | -40.5 | 178.5 | -170.5 | 0 | 0 | 0 | 0 | 112 | F182 L198 L199 E200 | F182-S196 VanDerWaalsContact CD2-N 3.33Å; S196-L198 PolarHBondContact O-N 3.47Å; S196-L199 WeakPolarHBondContact O-CB 3.42Å; S196-L199 PolarHBondContact O-N 2.98Å; S196-L199 VanDerWaalsContact O-N 3.1Å; S196-E200 WeakPolarHBondContact O-CB 3.23Å; S196-E200 PolarHBondContact O-N 3.33Å |
| 197 | T | 90.9 | Very high | 86.8 | Confident | 74 Ų | 74 | 80.5 Ų | 80.5 | 45% | 0.454 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -63.2 | -23.5 | 178 | 56.5 | 0 | 0 | 0 | 0 | 114.6 | T195 R201 | T195-T197 WeakPolarHBondContact CG2-OG1 3.39Å; T195-T197 PolarHBondContact O-N 3.42Å; T197-R201 WeakPolarHBondContact O-CB 3.45Å; T197-R201 PolarHBondContact O-N 2.88Å |
| 198 | L | 89.5 | Confident | 86.8 | Confident | 62 Ų | 62 | 76.6 Ų | 76.6 | 33% | 0.325 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -81.3 | -40.2 | 173.9 | -80.5 | 160 | 0 | 0 | 0 | 110.8 | F193 T195 S196 H202 | F193-L198 HydrophobicContact CB-CB 3.89Å; F193-L198 HydrophobicContact CD1-CB 3.94Å; F193-L198 HydrophobicContact CG-CB 4.22Å; T195-L198 WeakPolarHBondContact O-CB 3.3Å; T195-L198 PolarHBondContact O-N 2.92Å; S196-L198 PolarHBondContact O-N 3.47Å; L198-H202 WeakPolarHBondContact O-CB 3.48Å; L198-H202 PolarHBondContact O-N 2.87Å |
| 199 | L | 91.7 | Very high | 85.9 | Confident | 23 Ų | 23 | 79 Ų | 79 | 12% | 0.12 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -61.4 | -53.8 | 171.6 | 167.5 | 61 | 0 | 0 | 0 | 110.9 | F182 R183 C184 F193 T195 S196 R201 H202 V203 | F182-L199 HydrophobicContact CB-CB 3.99Å; F182-L199 HydrophobicContact CB-CD2 3.82Å; R183-L199 WeakPolarHBondContact O-CD1 3.41Å; R183-L199 WeakPolarHBondContact O-CD2 3.42Å; C184-L199 HydrophobicContact CB-CD1 4.36Å; F193-L199 HydrophobicContact CB-CB 4.1Å; F193-L199 HydrophobicContact CD2-CB 3.69Å; F193-L199 HydrophobicContact CD2-CD1 3.77Å; F193-L199 HydrophobicContact CD2-CG 4.34Å; F193-L199 HydrophobicContact CE2-CD1 3.91Å; F193-L199 HydrophobicContact CG-CB 4.05Å; T195-L199 PolarHBondContact O-N 3.41Å; S196-L199 WeakPolarHBondContact O-CB 3.42Å; S196-L199 PolarHBondContact O-N 2.98Å; S196-L199 VanDerWaalsContact O-N 3.1Å; L199-R201 VanDerWaalsContact C-N 3.31Å; L199-R201 PolarHBondContact O-N 2.98Å; L199-H202 CarbonylContact O-C 3.6Å; L199-H202 WeakPolarHBondContact O-CA 3.43Å; L199-H202 WeakPolarHBondContact O-CB 3.49Å; L199-H202 PolarHBondContact O-N 2.91Å; L199-V203 HydrophobicContact CD1-CG2 3.8Å; L199-V203 HydrophobicContact CG-CG2 4.4Å; L199-V203 WeakPolarHBondContact O-CG2 3.48Å; L199-V203 PolarHBondContact O-N 3.29Å |
| 200 | E | 92.1 | Very high | 84.6 | Confident | 128 Ų | 128 | 82.4 Ų | 82.4 | 60% | 0.598 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -54.4 | -47.1 | 179 | -179.5 | -172.9 | -165.3 | 0 | 0 | 111.4 | S196 H202 V203 Q204 | S196-E200 WeakPolarHBondContact O-CB 3.23Å; S196-E200 PolarHBondContact O-N 3.33Å; E200-H202 VanDerWaalsContact C-N 3.33Å; E200-H202 PolarHBondContact O-N 3.39Å; E200-V203 PolarHBondContact O-N 3.42Å; E200-Q204 VanDerWaalsContact O-CB 3.29Å; E200-Q204 WeakPolarHBondContact O-CB 3.36Å; E200-Q204 PolarHBondContact O-N 2.78Å |
| 201 | R | 90.5 | Very high | 82.9 | Confident | 124 Ų | 124 | 83.2 Ų | 83.2 | 47% | 0.468 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62.3 | -37.8 | 175.5 | 179.8 | -171.3 | -62 | 167.8 | 2.1 | 112.8 | T197 L199 R205 | T197-R201 WeakPolarHBondContact O-CB 3.45Å; T197-R201 PolarHBondContact O-N 2.88Å; L199-R201 VanDerWaalsContact C-N 3.31Å; L199-R201 PolarHBondContact O-N 2.98Å; R201-R205 VanDerWaalsContact O-CB 3.27Å; R201-R205 WeakPolarHBondContact O-CB 3.29Å; R201-R205 WeakPolarHBondContact O-CG 3.42Å; R201-R205 PolarHBondContact O-N 2.94Å; R201-R205 VanDerWaalsContact O-N 3.09Å |
| 202 | H | 91.8 | Very high | 81.3 | Confident | 17 Ų | 17 | 90.2 Ų | 90.2 | 8% | 0.079 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -67.9 | -49.6 | 175.1 | 156 | 62.8 | 0 | 0 | 0 | 110.8 | C184 C189 F193 L198 L199 E200 Q204 R205 T206 H207 | C184-H202 PolarHBondContact SG-NE2 3.27Å; C189-H202 PolarHBondContact SG-CE1 3.05Å; C189-H202 PolarHBondContact SG-NE2 3.17Å; F193-H202 HydrophobicContact CE1-CB 3.72Å; F193-H202 HydrophobicContact CE2-CB 4.02Å; F193-H202 AromaticContact CE2-CD2 3.3Å; F193-H202 WeakPolarHBondContact CE2-CD2 3.29Å; F193-H202 AromaticContact CE2-CG 3.8Å; F193-H202 HydrophobicContact CZ-CB 3.38Å; F193-H202 AromaticContact CZ-CD2 3.24Å; F193-H202 WeakPolarHBondContact CZ-CD2 3.38Å; F193-H202 AromaticContact CZ-CG 3.24Å; F193-H202 AromaticContact CZ-NE2 4Å; L198-H202 WeakPolarHBondContact O-CB 3.48Å; L198-H202 PolarHBondContact O-N 2.87Å; L199-H202 CarbonylContact O-C 3.6Å; L199-H202 WeakPolarHBondContact O-CA 3.43Å; L199-H202 WeakPolarHBondContact O-CB 3.49Å; L199-H202 PolarHBondContact O-N 2.91Å; E200-H202 VanDerWaalsContact C-N 3.33Å; E200-H202 PolarHBondContact O-N 3.39Å; H202-Q204 VanDerWaalsContact C-N 3.32Å; H202-Q204 PolarHBondContact O-N 3.16Å; H202-R205 PolarHBondContact O-N 3.42Å; H202-R205 VanDerWaalsContact O-N 3.1Å; H202-T206 WeakPolarHBondContact ND1-CB 3.17Å; H202-T206 PolarHBondContact ND1-OG1 2.95Å; H202-T206 VanDerWaalsContact O-CB 3.27Å; H202-T206 WeakPolarHBondContact O-CB 3.38Å; H202-T206 PolarHBondContact O-N 3.45Å; H202-T206 PolarHBondContact O-OG1 3.01Å; H202-H207 AromaticContact CE1-CD2 3.81Å; H202-H207 AromaticContact CE1-NE2 3.45Å; H202-H207 PolarHBondContact CE1-NE2 2.86Å; H202-H207 AromaticContact NE2-CD2 3.73Å; H202-H207 AromaticContact NE2-NE2 3.38Å; H202-H207 PolarHBondContact NE2-NE2 3.33Å |
| 203 | V | 91.6 | Very high | 79.3 | Confident | 20 Ų | 20 | 91.8 Ų | 91.8 | 12% | 0.121 | 46% | 0.459 | C | S | . | . | I | π-helix | trans | -52.5 | -51.7 | 174.5 | 168.9 | 0 | 0 | 0 | 0 | 110.4 | I185 F186 L199 E200 R205 H207 M208 | I185-V203 HydrophobicContact CG1-CG2 4.43Å; F186-V203 HydrophobicContact CE2-CG1 4.17Å; L199-V203 HydrophobicContact CD1-CG2 3.8Å; L199-V203 HydrophobicContact CG-CG2 4.4Å; L199-V203 WeakPolarHBondContact O-CG2 3.48Å; L199-V203 PolarHBondContact O-N 3.29Å; E200-V203 PolarHBondContact O-N 3.42Å; V203-R205 VanDerWaalsContact C-N 3.28Å; V203-R205 PolarHBondContact O-N 3.1Å; V203-H207 PolarHBondContact O-N 2.79Å; V203-M208 HydrophobicContact CG1-CE 3.67Å; V203-M208 HydrophobicContact CG1-CG 4.11Å; V203-M208 PolarHBondContact O-N 3.04Å |
| 204 | Q | 89.1 | Confident | 77.2 | Confident | 112 Ų | 112 | 95.6 Ų | 95.6 | 52% | 0.523 | 49% | 0.49 | S | S | . | . | I | π-helix | trans | -63.6 | -29.5 | -179.3 | -170.1 | 58 | 27 | 0 | 0 | 113.7 | E200 H202 R209 | E200-Q204 VanDerWaalsContact O-CB 3.29Å; E200-Q204 WeakPolarHBondContact O-CB 3.36Å; E200-Q204 PolarHBondContact O-N 2.78Å; H202-Q204 VanDerWaalsContact C-N 3.32Å; H202-Q204 PolarHBondContact O-N 3.16Å; Q204-R209 WeakPolarHBondContact O-CG 3.24Å |
| 205 | R | 89 | Confident | 75.2 | Confident | 136 Ų | 136 | 98 Ų | 98 | 51% | 0.513 | 51% | 0.507 | S | S | . | . | I | π-helix | trans | -95.2 | -31.8 | -177.6 | -73.6 | -179.5 | -176.3 | 178 | -1.5 | 114.8 | R201 H202 V203 R209 | R201-R205 VanDerWaalsContact O-CB 3.27Å; R201-R205 WeakPolarHBondContact O-CB 3.29Å; R201-R205 WeakPolarHBondContact O-CG 3.42Å; R201-R205 PolarHBondContact O-N 2.94Å; R201-R205 VanDerWaalsContact O-N 3.09Å; H202-R205 PolarHBondContact O-N 3.42Å; H202-R205 VanDerWaalsContact O-N 3.1Å; V203-R205 VanDerWaalsContact C-N 3.28Å; V203-R205 PolarHBondContact O-N 3.1Å; R205-R209 WeakPolarHBondContact O-CB 3.44Å; R205-R209 WeakPolarHBondContact O-CD 3.47Å |
| 206 | T | 86.4 | Confident | 73 | Confident | 92 Ų | 92 | 102.7 Ų | 102.7 | 56% | 0.564 | 53% | 0.529 | S | S | * | . | I | π-helix | trans | -103.8 | -32.7 | -169.8 | -50.5 | 0 | 0 | 0 | 0 | 111.2 | H202 | H202-T206 WeakPolarHBondContact ND1-CB 3.17Å; H202-T206 PolarHBondContact ND1-OG1 2.95Å; H202-T206 VanDerWaalsContact O-CB 3.27Å; H202-T206 WeakPolarHBondContact O-CB 3.38Å; H202-T206 PolarHBondContact O-N 3.45Å; H202-T206 PolarHBondContact O-OG1 3.01Å |
| 207 | H | 88.1 | Confident | 70.7 | Confident | 43 Ų | 43 | 104.7 Ų | 104.7 | 20% | 0.199 | 54% | 0.543 | C | S | . | . | I | π-helix | trans | -110.5 | -34.7 | -176.8 | -60.5 | -74.3 | 0 | 0 | 0 | 112.8 | F186 H202 V203 | F186-H207 HydrophobicContact CD1-CB 4.39Å; F186-H207 AromaticContact CD1-ND1 3.78Å; F186-H207 HydrophobicContact CD2-CB 3.76Å; F186-H207 AromaticContact CD2-CD2 3.52Å; F186-H207 AromaticContact CD2-CE1 4Å; F186-H207 AromaticContact CD2-CG 3.36Å; F186-H207 AromaticContact CD2-ND1 3.68Å; F186-H207 AromaticContact CD2-NE2 3.94Å; F186-H207 HydrophobicContact CE1-CB 4.07Å; F186-H207 HydrophobicContact CE2-CB 3.41Å; F186-H207 VanDerWaalsContact CE2-CB 3.41Å; F186-H207 AromaticContact CE2-CG 3.6Å; F186-H207 HydrophobicContact CG-CB 4.26Å; F186-H207 AromaticContact CG-CE1 3.72Å; F186-H207 AromaticContact CG-CG 3.67Å; F186-H207 AromaticContact CG-ND1 3.46Å; F186-H207 WeakPolarHBondContact CG-ND1 3.4Å; F186-H207 HydrophobicContact CZ-CB 3.58Å; H202-H207 AromaticContact CE1-CD2 3.81Å; H202-H207 AromaticContact CE1-NE2 3.45Å; H202-H207 PolarHBondContact CE1-NE2 2.86Å; H202-H207 AromaticContact NE2-CD2 3.73Å; H202-H207 AromaticContact NE2-NE2 3.38Å; H202-H207 PolarHBondContact NE2-NE2 3.33Å; V203-H207 PolarHBondContact O-N 2.79Å |
| 208 | M | 79.7 | Confident | 68 | Low | 88 Ų | 88 | 109.1 Ų | 109.1 | 43% | 0.433 | 56% | 0.563 | S | S | . | * | S | Bend | trans | -93.4 | -6.4 | -177.5 | -53.8 | -60.4 | 167.4 | 0 | 0 | 115.2 | F186 V203 A210 | F186-M208 HydrophobicContact CE2-CE 3.97Å; F186-M208 HydrophobicContact CZ-CE 3.69Å; V203-M208 HydrophobicContact CG1-CE 3.67Å; V203-M208 HydrophobicContact CG1-CG 4.11Å; V203-M208 PolarHBondContact O-N 3.04Å; M208-A210 VanDerWaalsContact C-N 3.29Å; M208-A210 PolarHBondContact O-N 3.5Å |
| 209 | R | 64.1 | Low | 65.5 | Low | 161 Ų | 161 | 111.5 Ų | 111.5 | 61% | 0.608 | 58% | 0.583 | S | S | * | * | G | 310 helix | trans | -81.1 | 0.3 | -175.3 | -97 | -176 | -174.6 | -172.7 | -9.5 | 115.6 | Q204 R205 N211 | Q204-R209 WeakPolarHBondContact O-CG 3.24Å; R205-R209 WeakPolarHBondContact O-CB 3.44Å; R205-R209 WeakPolarHBondContact O-CD 3.47Å; R209-N211 PolarHBondContact O-N 3.5Å |
| 210 | A | 55.6 | Low | 62.6 | Low | 93 Ų | 93 | 119.9 Ų | 119.9 | 77% | 0.769 | 62% | 0.618 | S | S | * | * | G | 310 helix | trans | -61.5 | -13.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | M208 | M208-A210 VanDerWaalsContact C-N 3.29Å; M208-A210 PolarHBondContact O-N 3.5Å |
| 211 | N | 46.7 | Very low | 60 | Low | 152 Ų | 152 | 120 Ų | 120 | 81% | 0.813 | 63% | 0.627 | S | S | * | * | G | 310 helix | trans | -119.4 | 34.3 | -171.9 | -143.2 | 16 | 0 | 0 | 0 | 114.9 | R209 | R209-N211 PolarHBondContact O-N 3.5Š|
| 212 | R | 47.8 | Very low | 57.2 | Low | 227 Ų | 227 | 118.2 Ų | 118.2 | 86% | 0.857 | 63% | 0.634 | S | S | * | * | trans | -137.6 | 43.7 | 169.8 | -70.4 | -160.1 | -175.3 | -142.7 | 1.9 | 113.5 | ||||
| 213 | I | 42.9 | Very low | 54.7 | Low | 155 Ų | 155 | 125.4 Ų | 125.4 | 80% | 0.795 | 67% | 0.672 | S | S | * | * | trans | -107.2 | 81.4 | 166 | -55.1 | 176.3 | 0 | 0 | 0 | 107.3 | ||||
| 214 | S | 38.9 | Very low | 51.9 | Low | 112 Ų | 112 | 129.6 Ų | 129.6 | 78% | 0.783 | 70% | 0.698 | S | S | * | * | S | Bend | trans | 171.9 | 162.8 | 165.8 | -82.5 | 0 | 0 | 0 | 0 | 109.2 | ||
| 215 | S | 39.2 | Very low | 49.6 | Very low | 115 Ų | 115 | 129.8 Ų | 129.8 | 80% | 0.804 | 70% | 0.702 | S | S | * | * | trans | 60.2 | 65.3 | -176.8 | 80.7 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 216 | D | 38.6 | Very low | 47.7 | Very low | 163 Ų | 163 | 131.5 Ų | 131.5 | 87% | 0.872 | 71% | 0.714 | S | S | * | * | trans | -72.2 | 106.2 | 152.4 | -170.7 | 10.5 | 0 | 0 | 0 | 109 | ||||
| 217 | S | 40.1 | Very low | 45.5 | Very low | 102 Ų | 102 | 132.3 Ų | 132.3 | 71% | 0.713 | 72% | 0.723 | S | S | * | * | trans | -168.6 | 128 | 164.7 | 60.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 218 | L | 35.9 | Very low | 43.3 | Very low | 166 Ų | 166 | 137 Ų | 137 | 87% | 0.869 | 75% | 0.748 | S | S | * | * | trans | -64 | 176 | -175.9 | -80.6 | 147.6 | 0 | 0 | 0 | 116.5 | ||||
| 219 | P | 35.6 | Very low | 41.3 | Very low | 113 Ų | 113 | 140 Ų | 140 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | trans | -116.6 | -167.7 | -151.2 | 45 | -37 | 0 | 0 | 0 | 115.1 | ||||
| 220 | K | 31.3 | Very low | 40 | Very low | 198 Ų | 198 | 136.7 Ų | 136.7 | 86% | 0.861 | 77% | 0.765 | S | S | * | * | trans | 117.9 | 163.2 | 151.7 | -161.3 | 172.6 | -179.6 | -175.8 | 0 | 114.6 | ||||
| 221 | V | 36.8 | Very low | 39.2 | Very low | 130 Ų | 130 | 140.5 Ų | 140.5 | 79% | 0.788 | 77% | 0.766 | S | S | * | * | trans | 82.2 | 153.3 | 175.2 | -168.2 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 222 | S | 32 | Very low | 38.7 | Very low | 87 Ų | 87 | 137.5 Ų | 137.5 | 61% | 0.608 | 76% | 0.757 | S | S | * | * | -176.9 | 134.9 | -83.5 | 54.6 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 223 | L | 38.9 | Very low | 38.2 | Very low | 169 Ų | 169 | 135 Ų | 135 | 89% | 0.885 | 76% | 0.755 | S | S | * | * | trans | 65.3 | 163.5 | 172 | -44.7 | 167.5 | 0 | 0 | 0 | 113 | ||||
| 224 | T | 33.8 | Very low | 37.8 | Very low | 108 Ų | 108 | 131.6 Ų | 131.6 | 66% | 0.663 | 75% | 0.745 | S | S | * | * | cis | -142.9 | -179.8 | 8.6 | 37.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 225 | D | 41 | Very low | 37.8 | Very low | 115 Ų | 115 | 134.3 Ų | 134.3 | 62% | 0.615 | 75% | 0.746 | S | S | * | * | trans | 85.4 | 141 | 153.6 | -58.2 | -51 | 0 | 0 | 0 | 121 | ||||
| 226 | K | 49.5 | Very low | 37.7 | Very low | 173 Ų | 173 | 137 Ų | 137 | 75% | 0.752 | 75% | 0.746 | S | S | * | * | cis | -172.9 | 153.8 | -36.1 | -120.1 | -178.7 | -154.5 | 124.3 | 0 | 109.9 | ||||
| 227 | S | 39.8 | Very low | 37.8 | Very low | 109 Ų | 109 | 136.3 Ų | 136.3 | 76% | 0.762 | 74% | 0.74 | S | S | * | * | trans | 69.6 | 148.8 | 162.6 | 82 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 228 | I | 40.4 | Very low | 37.7 | Very low | 142 Ų | 142 | 136 Ų | 136 | 73% | 0.728 | 73% | 0.734 | S | S | * | * | cis | -147.3 | 124.2 | 18.9 | -73.1 | 172.2 | 0 | 0 | 0 | 106.8 | ||||
| 229 | I | 38.2 | Very low | 37.8 | Very low | 150 Ų | 150 | 134.8 Ų | 134.8 | 77% | 0.769 | 73% | 0.729 | S | S | * | * | 67.5 | 128.1 | 89.1 | -72.9 | 169.8 | 0 | 0 | 0 | 113.4 | |||||
| 230 | C | 37.5 | Very low | 38.1 | Very low | 92 Ų | 92 | 137.3 Ų | 137.3 | 62% | 0.622 | 74% | 0.735 | S | S | * | * | -160.7 | 137.6 | 61.8 | -116.3 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 231 | Q | 38.2 | Very low | 38.4 | Very low | 172 Ų | 172 | 136.4 Ų | 136.4 | 80% | 0.804 | 73% | 0.734 | S | S | * | * | 83.5 | 149 | 93.8 | -79 | -178.5 | -2.7 | 0 | 0 | 117.5 | |||||
| 232 | S | 36.3 | Very low | 38.3 | Very low | 89 Ų | 89 | 137.3 Ų | 137.3 | 62% | 0.622 | 73% | 0.734 | S | S | * | * | cis | 178.1 | 151.2 | -32.2 | 46.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 233 | H | 36.6 | Very low | 38.7 | Very low | 174 Ų | 174 | 139 Ų | 139 | 81% | 0.806 | 75% | 0.746 | S | S | * | * | trans | 158.7 | 106.2 | 149.5 | -98.5 | -78.9 | 0 | 0 | 0 | 108.8 | ||||
| 234 | S | 35.4 | Very low | 38.7 | Very low | 85 Ų | 85 | 137.8 Ų | 137.8 | 59% | 0.594 | 74% | 0.74 | S | S | * | * | 70.6 | 137.3 | 82.7 | 78 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 235 | E | 38.3 | Very low | 38.9 | Very low | 168 Ų | 168 | 141.7 Ų | 141.7 | 79% | 0.785 | 75% | 0.748 | S | S | * | * | cis | -135.7 | 133.9 | 35.9 | -73.8 | 139.1 | -156.6 | 0 | 0 | 111 | ||||
| 236 | E | 38.4 | Very low | 38.9 | Very low | 172 Ų | 172 | 145.7 Ų | 145.7 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | 76.2 | 153.6 | 96.1 | -124.3 | 168.1 | -84.3 | 0 | 0 | 113 | |||||
| 237 | I | 40.3 | Very low | 38.3 | Very low | 149 Ų | 149 | 141.9 Ų | 141.9 | 76% | 0.764 | 76% | 0.755 | S | S | * | * | cis | -131.1 | 161.7 | 22.7 | -69 | 169.2 | 0 | 0 | 0 | 114.6 | ||||
| 238 | T | 38.4 | Very low | 38.6 | Very low | 95 Ų | 95 | 141.9 Ų | 141.9 | 58% | 0.583 | 75% | 0.75 | S | S | * | * | trans | -48.2 | 174.1 | -178.4 | 67.3 | 0 | 0 | 0 | 0 | 123 | ||||
| 239 | N | 37.7 | Very low | 39 | Very low | 141 Ų | 141 | 138.8 Ų | 138.8 | 75% | 0.754 | 74% | 0.741 | S | S | * | * | trans | 79.1 | 127.5 | 151.2 | -69.5 | -24.9 | 0 | 0 | 0 | 118.6 | ||||
| 240 | L | 42 | Very low | 39.5 | Very low | 165 Ų | 165 | 137.1 Ų | 137.1 | 86% | 0.864 | 73% | 0.733 | S | S | * | * | cis | -141.8 | 154.4 | 11.6 | -91.4 | 149.5 | 0 | 0 | 0 | 112.5 | ||||
| 241 | Q | 37.6 | Very low | 40.1 | Very low | 179 Ų | 179 | 135.5 Ų | 135.5 | 84% | 0.836 | 72% | 0.723 | S | S | * | * | trans | -81.2 | 179.1 | 166.5 | -69.9 | 176.1 | -45.1 | 0 | 0 | 112 | ||||
| 242 | N | 33.8 | Very low | 40.8 | Very low | 150 Ų | 150 | 131.4 Ų | 131.4 | 80% | 0.802 | 71% | 0.709 | S | S | * | * | trans | 78.6 | 77.4 | 167.5 | -59.9 | -18.2 | 0 | 0 | 0 | 118.9 | ||||
| 243 | S | 40.3 | Very low | 41.6 | Very low | 121 Ų | 121 | 134.6 Ų | 134.6 | 85% | 0.846 | 71% | 0.712 | S | S | * | * | -162.9 | 88.8 | 123.1 | -89.4 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 244 | L | 38.4 | Very low | 42.4 | Very low | 145 Ų | 145 | 133.8 Ų | 133.8 | 76% | 0.759 | 71% | 0.706 | S | S | * | * | 47.2 | 96.7 | 117.2 | -137.7 | 72.3 | 0 | 0 | 0 | 119.3 | K246 | L244-K246 PolarHBondContact O-N 3.44Š| |||
| 245 | K | 39.1 | Very low | 43.1 | Very low | 190 Ų | 190 | 133.9 Ų | 133.9 | 83% | 0.826 | 70% | 0.7 | S | S | * | * | S | Bend | trans | 44.4 | 72.3 | 130.1 | -54.4 | 175 | -178 | 175.9 | 0 | 118 | ||
| 246 | K | 40 | Very low | 44 | Very low | 198 Ų | 198 | 130.8 Ų | 130.8 | 86% | 0.861 | 69% | 0.689 | S | S | * | * | trans | -163.1 | -9.9 | 152.1 | -116.2 | 161 | -174.1 | 176.8 | 0 | 119.1 | L244 | L244-K246 PolarHBondContact O-N 3.44Š| ||
| 247 | S | 37.6 | Very low | 44.7 | Very low | 94 Ų | 94 | 132.4 Ų | 132.4 | 66% | 0.657 | 69% | 0.687 | S | S | * | * | trans | -93.1 | 9 | -169.6 | 55.7 | 0 | 0 | 0 | 0 | 116.5 | S249 L250 | S247-S249 PolarHBondContact O-N 2.81Å; S247-L250 PolarHBondContact O-N 3.18Å; S247-L250 VanDerWaalsContact O-N 3.12Å | ||
| 248 | T | 46 | Very low | 45.4 | Very low | 109 Ų | 109 | 132.9 Ų | 132.9 | 67% | 0.669 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -62.4 | -13.6 | -174.7 | -4.7 | 0 | 0 | 0 | 0 | 114.9 | S251 | T248-S251 PolarHBondContact O-OG 3.07Å |
| 249 | S | 49 | Very low | 46.2 | Very low | 76 Ų | 76 | 137.6 Ų | 137.6 | 53% | 0.531 | 69% | 0.691 | S | S | . | * | H | α-helix | trans | -78.7 | -17.3 | 175.8 | 61.3 | 0 | 0 | 0 | 0 | 114.6 | S247 T252 | S247-S249 PolarHBondContact O-N 2.81Å; S249-T252 PolarHBondContact O-OG1 3.05Å |
| 250 | L | 48.8 | Very low | 47 | Very low | 116 Ų | 116 | 137.8 Ų | 137.8 | 61% | 0.607 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -85.9 | -28 | 176.2 | -75.1 | 99.4 | 0 | 0 | 0 | 113.1 | S247 K253 K254 | S247-L250 PolarHBondContact O-N 3.18Å; S247-L250 VanDerWaalsContact O-N 3.12Å; L250-K253 PolarHBondContact O-N 3.22Å; L250-K254 PolarHBondContact O-N 3.12Å; L250-K254 VanDerWaalsContact O-N 3.09Å |
| 251 | S | 49.4 | Very low | 47.4 | Very low | 57 Ų | 57 | 137.6 Ų | 137.6 | 40% | 0.399 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -68.4 | -36.8 | 176.8 | 81.3 | 0 | 0 | 0 | 0 | 111.2 | T248 K254 N255 | T248-S251 PolarHBondContact O-OG 3.07Å; S251-K254 PolarHBondContact O-N 3.11Å; S251-N255 WeakPolarHBondContact O-CB 3.18Å; S251-N255 VanDerWaalsContact O-CG 3.28Å; S251-N255 PolarHBondContact O-N 3.31Å; S251-N255 PolarHBondContact O-ND2 3.19Å |
| 252 | T | 53 | Low | 48.2 | Very low | 86 Ų | 86 | 132.2 Ų | 132.2 | 53% | 0.528 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -64.2 | -42 | 175.2 | 60.6 | 0 | 0 | 0 | 0 | 111.5 | S249 N255 L256 | S249-T252 PolarHBondContact O-OG1 3.05Å; T252-N255 PolarHBondContact O-N 3.03Å; T252-L256 VanDerWaalsContact O-CB 3.26Å; T252-L256 WeakPolarHBondContact O-CB 3.46Å; T252-L256 PolarHBondContact O-N 3.44Å |
| 253 | K | 53.8 | Low | 49.3 | Very low | 157 Ų | 157 | 135.9 Ų | 135.9 | 68% | 0.683 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -62 | -41.4 | 172.2 | -82 | -180 | 175.9 | 174.3 | 0 | 112.8 | L250 L256 R257 | L250-K253 PolarHBondContact O-N 3.22Å; K253-L256 PolarHBondContact O-N 2.87Å; K253-R257 PolarHBondContact O-N 2.94Å |
| 254 | K | 53.1 | Low | 50.1 | Low | 157 Ų | 157 | 135 Ų | 135 | 68% | 0.683 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -63.9 | -42.7 | 173.2 | -81.4 | -179 | 175 | 176 | 0 | 111.9 | L250 S251 R257 K258 | L250-K254 PolarHBondContact O-N 3.12Å; L250-K254 VanDerWaalsContact O-N 3.09Å; S251-K254 PolarHBondContact O-N 3.11Å; K254-R257 PolarHBondContact O-N 3.17Å; K254-K258 PolarHBondContact O-N 3.12Å |
| 255 | N | 50.9 | Low | 50.4 | Low | 87 Ų | 87 | 138.9 Ų | 138.9 | 47% | 0.465 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -70.1 | -33.6 | 178.3 | -72.3 | -28.2 | 0 | 0 | 0 | 112.8 | S251 T252 K258 R259 | S251-N255 WeakPolarHBondContact O-CB 3.18Å; S251-N255 VanDerWaalsContact O-CG 3.28Å; S251-N255 PolarHBondContact O-N 3.31Å; S251-N255 PolarHBondContact O-ND2 3.19Å; T252-N255 PolarHBondContact O-N 3.03Å; N255-K258 PolarHBondContact O-N 2.97Å; N255-R259 WeakPolarHBondContact O-CB 3.45Å; N255-R259 PolarHBondContact O-N 3.11Å |
| 256 | L | 56.1 | Low | 51.1 | Low | 103 Ų | 103 | 139.7 Ų | 139.7 | 54% | 0.539 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -70.8 | -37.2 | 173.6 | -158 | 71.6 | 0 | 0 | 0 | 111.6 | T252 K253 R259 K260 | T252-L256 VanDerWaalsContact O-CB 3.26Å; T252-L256 WeakPolarHBondContact O-CB 3.46Å; T252-L256 PolarHBondContact O-N 3.44Å; K253-L256 PolarHBondContact O-N 2.87Å; L256-R259 PolarHBondContact O-N 2.6Å; L256-K260 WeakPolarHBondContact O-CB 3.44Å; L256-K260 WeakPolarHBondContact O-CG 3.48Å; L256-K260 PolarHBondContact O-N 2.82Å |
| 257 | R | 54 | Low | 51.9 | Low | 205 Ų | 205 | 136.1 Ų | 136.1 | 77% | 0.774 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -63.2 | -42.9 | 169.3 | -81.6 | -175.1 | 170.1 | -171.8 | -2.5 | 112.1 | K253 K254 K260 K261 | K253-R257 PolarHBondContact O-N 2.94Å; K254-R257 PolarHBondContact O-N 3.17Å; R257-K260 PolarHBondContact O-N 3.34Å; R257-K261 PolarHBondContact O-N 2.76Å |
| 258 | K | 53.5 | Low | 53.1 | Low | 159 Ų | 159 | 141 Ų | 141 | 69% | 0.691 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -60.2 | -43.6 | 172.6 | -75.5 | -178.4 | 176.4 | -177.9 | 0 | 111.9 | K254 N255 A262 | K254-K258 PolarHBondContact O-N 3.12Å; N255-K258 PolarHBondContact O-N 2.97Å; K258-A262 PolarHBondContact O-N 2.84Å |
| 259 | R | 56 | Low | 53.9 | Low | 194 Ų | 194 | 146.4 Ų | 146.4 | 73% | 0.732 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -67.6 | -35.5 | 175.5 | -81 | -178.6 | 164.7 | -176.2 | -4.4 | 113.6 | N255 L256 A262 R263 | N255-R259 WeakPolarHBondContact O-CB 3.45Å; N255-R259 PolarHBondContact O-N 3.11Å; L256-R259 PolarHBondContact O-N 2.6Å; R259-A262 WeakPolarHBondContact O-CB 3.24Å; R259-A262 PolarHBondContact O-N 2.9Å; R259-A262 VanDerWaalsContact O-N 3.15Å; R259-R263 PolarHBondContact O-N 3.36Å |
| 260 | K | 53.8 | Low | 54.6 | Low | 145 Ų | 145 | 150.9 Ų | 150.9 | 63% | 0.63 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -64.5 | -43.8 | 175.2 | -79.9 | -171.7 | 174.4 | -170 | 0 | 111.9 | L256 R257 A262 R263 T264 | L256-K260 WeakPolarHBondContact O-CB 3.44Å; L256-K260 WeakPolarHBondContact O-CG 3.48Å; L256-K260 PolarHBondContact O-N 2.82Å; R257-K260 PolarHBondContact O-N 3.34Å; K260-A262 PolarHBondContact O-N 3.28Å; K260-A262 VanDerWaalsContact O-N 3.1Å; K260-R263 PolarHBondContact O-N 3.15Å; K260-T264 PolarHBondContact O-N 2.89Å; K260-T264 PolarHBondContact O-OG1 2.99Å |
| 261 | K | 52 | Low | 55.8 | Low | 162 Ų | 162 | 150.3 Ų | 150.3 | 70% | 0.704 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.4 | -12.9 | 172.1 | -76.7 | -166.9 | 174.6 | -170.7 | 0 | 114.6 | R257 | R257-K261 PolarHBondContact O-N 2.76Š|
| 262 | A | 54.5 | Low | 57 | Low | 65 Ų | 65 | 156.6 Ų | 156.6 | 54% | 0.537 | 70% | 0.701 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93.3 | -13 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | K258 R259 K260 | K258-A262 PolarHBondContact O-N 2.84Å; R259-A262 WeakPolarHBondContact O-CB 3.24Å; R259-A262 PolarHBondContact O-N 2.9Å; R259-A262 VanDerWaalsContact O-N 3.15Å; K260-A262 PolarHBondContact O-N 3.28Å; K260-A262 VanDerWaalsContact O-N 3.1Å |
| 263 | R | 55.9 | Low | 58.3 | Low | 228 Ų | 228 | 159.9 Ų | 159.9 | 86% | 0.86 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.9 | -26.4 | 179 | -80.7 | -175.7 | 169.6 | 176.7 | -4.1 | 113.8 | R259 K260 Y265 | R259-R263 PolarHBondContact O-N 3.36Å; K260-R263 PolarHBondContact O-N 3.15Å; R263-Y265 PolarHBondContact O-N 3.37Å |
| 264 | T | 56.8 | Low | 59.8 | Low | 101 Ų | 101 | 156.3 Ų | 156.3 | 62% | 0.62 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -78.6 | 96.8 | 172.3 | 49.1 | 0 | 0 | 0 | 0 | 110.4 | K260 R266 | K260-T264 PolarHBondContact O-N 2.89Å; K260-T264 PolarHBondContact O-OG1 2.99Å; T264-R266 PolarHBondContact O-N 3.38Å |
| 265 | Y | 44.5 | Very low | 61 | Low | 227 Ų | 227 | 157.1 Ų | 157.1 | 89% | 0.89 | 69% | 0.693 | S | S | * | * | trans | 23.5 | 78.8 | 159.6 | -97.3 | -95.9 | 0 | 0 | 0 | 115.9 | R263 V267 | R263-Y265 PolarHBondContact O-N 3.37Å; Y265-V267 PolarHBondContact O-N 3.21Å; Y265-V267 VanDerWaalsContact O-N 3.09Å | ||
| 266 | R | 54.1 | Low | 62.3 | Low | 207 Ų | 207 | 161.7 Ų | 161.7 | 78% | 0.781 | 70% | 0.704 | S | S | * | * | trans | -72.5 | 100 | 154.9 | -75.8 | -178.4 | 176.8 | 164.3 | -3.7 | 107.1 | T264 R268 | T264-R266 PolarHBondContact O-N 3.38Å; R266-R268 PolarHBondContact O-N 3.3Å; R266-R268 VanDerWaalsContact O-N 3.16Å | ||
| 267 | V | 58.3 | Low | 63.4 | Low | 123 Ų | 123 | 158.6 Ų | 158.6 | 75% | 0.745 | 69% | 0.691 | S | S | * | * | trans | -42 | 124.8 | 159.5 | 175.8 | 0 | 0 | 0 | 0 | 106.6 | Y265 R269 | Y265-V267 PolarHBondContact O-N 3.21Å; Y265-V267 VanDerWaalsContact O-N 3.09Å; V267-R269 PolarHBondContact O-N 3.41Å | ||
| 268 | R | 62.5 | Low | 64.7 | Low | 197 Ų | 197 | 154 Ų | 154 | 74% | 0.743 | 68% | 0.678 | S | S | * | * | trans | -58 | 115.4 | -178.8 | -172.8 | -177.4 | 178.2 | 103.9 | 11 | 106.8 | R266 L270 D271 | R266-R268 PolarHBondContact O-N 3.3Å; R266-R268 VanDerWaalsContact O-N 3.16Å; R268-L270 PolarHBondContact O-N 3.46Å; R268-D271 IonicContact CZ-OD2 3.7Å; R268-D271 IonicContact NE-OD2 3.9Å; R268-D271 IonicContact NH2-OD2 3.41Å; R268-D271 PolarHBondContact NH2-OD2 3.34Å | ||
| 269 | R | 61 | Low | 66 | Low | 223 Ų | 223 | 149.6 Ų | 149.6 | 84% | 0.842 | 66% | 0.661 | S | S | * | * | trans | -52.2 | 127.8 | 169.5 | -100 | -173 | 175.6 | -178.3 | -2.2 | 106.2 | V267 D271 | V267-R269 PolarHBondContact O-N 3.41Å; R269-D271 PolarHBondContact O-N 3.33Å | ||
| 270 | L | 64.5 | Low | 66.9 | Low | 169 Ų | 169 | 144.2 Ų | 144.2 | 89% | 0.885 | 65% | 0.647 | S | S | * | * | trans | -63 | 113.8 | 169.7 | -78.5 | 93.9 | 0 | 0 | 0 | 106.7 | R268 F272 | R268-L270 PolarHBondContact O-N 3.46Å; L270-F272 PolarHBondContact O-N 2.9Å | ||
| 271 | D | 73.5 | Confident | 68.1 | Low | 105 Ų | 105 | 141 Ų | 141 | 56% | 0.561 | 64% | 0.639 | S | S | * | * | trans | -66.3 | 120 | 172.1 | -61.7 | -51.8 | 0 | 0 | 0 | 106.7 | R268 R269 Y273 | R268-D271 IonicContact CZ-OD2 3.7Å; R268-D271 IonicContact NE-OD2 3.9Å; R268-D271 IonicContact NH2-OD2 3.41Å; R268-D271 PolarHBondContact NH2-OD2 3.34Å; R269-D271 PolarHBondContact O-N 3.33Å; D271-Y273 PolarHBondContact O-N 3.27Å; D271-Y273 VanDerWaalsContact O-N 3.11Å | ||
| 272 | F | 75.7 | Confident | 69.5 | Low | 189 Ų | 189 | 140.7 Ų | 140.7 | 83% | 0.829 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -60.3 | -21.9 | -177.2 | 177.7 | -98.4 | 0 | 0 | 0 | 113.1 | L270 D274 | L270-F272 PolarHBondContact O-N 2.9Å; F272-D274 PolarHBondContact O-N 2.84Å; F272-D274 VanDerWaalsContact O-N 3.12Å |
| 273 | Y | 81 | Confident | 70.6 | Confident | 155 Ų | 155 | 140.9 Ų | 140.9 | 61% | 0.608 | 63% | 0.63 | S | S | * | * | trans | -78.8 | 92.2 | -177.3 | -70.3 | -79.8 | 0 | 0 | 0 | 112.8 | D271 Q278 | D271-Y273 PolarHBondContact O-N 3.27Å; D271-Y273 VanDerWaalsContact O-N 3.11Å; Y273-Q278 PolarHBondContact O-NE2 2.53Å | ||
| 274 | D | 83.6 | Confident | 71.8 | Confident | 81 Ų | 81 | 137.3 Ų | 137.3 | 43% | 0.433 | 62% | 0.62 | S | S | . | * | trans | -67.7 | 166 | 170.1 | 83.5 | -29.8 | 0 | 0 | 0 | 112.9 | F272 R276 S277 Q278 | F272-D274 PolarHBondContact O-N 2.84Å; F272-D274 VanDerWaalsContact O-N 3.12Å; D274-R276 PolarHBondContact O-N 3.4Å; D274-R276 VanDerWaalsContact OD2-CB 3.24Å; D274-R276 WeakPolarHBondContact OD2-CB 3.49Å; D274-S277 PolarHBondContact O-N 3.39Å; D274-S277 WeakPolarHBondContact OD1-CB 3.47Å; D274-S277 PolarHBondContact OD1-N 3.43Å; D274-S277 PolarHBondContact OD1-OG 3.29Å; D274-Q278 WeakPolarHBondContact O-CG 3.5Å; D274-Q278 PolarHBondContact O-N 2.89Å | ||
| 275 | Y | 80 | Confident | 73 | Confident | 174 Ų | 174 | 138 Ų | 138 | 68% | 0.682 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -57.8 | -33.2 | 179.7 | 179.3 | -114.9 | 0 | 0 | 0 | 112.7 | Q278 I279 | Y275-Q278 PolarHBondContact O-N 3.49Å; Y275-I279 HydrophobicContact CD1-CD1 3.84Å; Y275-I279 HydrophobicContact CE1-CD1 3.42Å; Y275-I279 VanDerWaalsContact CE1-CD1 3.42Å; Y275-I279 HydrophobicContact CE1-CG1 4.46Å; Y275-I279 HydrophobicContact CE2-CD1 4.2Å; Y275-I279 HydrophobicContact CE2-CG1 4.45Å; Y275-I279 HydrophobicContact CG-CD1 4.39Å; Y275-I279 WeakPolarHBondContact O-CG1 3.26Å; Y275-I279 PolarHBondContact O-N 3Å |
| 276 | R | 76.7 | Confident | 74.8 | Confident | 184 Ų | 184 | 131 Ų | 131 | 69% | 0.694 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -66.6 | -45.8 | 177.4 | -172.5 | -173.5 | 177.4 | 114.3 | 2.6 | 111.7 | D274 Q278 I279 L280 | D274-R276 PolarHBondContact O-N 3.4Å; D274-R276 VanDerWaalsContact OD2-CB 3.24Å; D274-R276 WeakPolarHBondContact OD2-CB 3.49Å; R276-Q278 VanDerWaalsContact C-N 3.31Å; R276-Q278 PolarHBondContact O-N 3.47Å; R276-I279 PolarHBondContact O-N 2.99Å; R276-L280 WeakPolarHBondContact O-CG 3.46Å; R276-L280 PolarHBondContact O-N 2.88Å |
| 277 | S | 79.5 | Confident | 75.9 | Confident | 38 Ų | 38 | 121.8 Ų | 121.8 | 27% | 0.266 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62 | -41.4 | 176.1 | -59 | 0 | 0 | 0 | 0 | 111.1 | D274 I279 L280 V281 | D274-S277 PolarHBondContact O-N 3.39Å; D274-S277 WeakPolarHBondContact OD1-CB 3.47Å; D274-S277 PolarHBondContact OD1-N 3.43Å; D274-S277 PolarHBondContact OD1-OG 3.29Å; S277-I279 PolarHBondContact O-N 3.28Å; S277-L280 PolarHBondContact O-N 3.22Å; S277-V281 WeakPolarHBondContact O-CG2 3.23Å; S277-V281 PolarHBondContact O-N 3.49Å |
| 278 | Q | 80.7 | Confident | 76.7 | Confident | 109 Ų | 109 | 118.3 Ų | 118.3 | 51% | 0.509 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.2 | -43.6 | 175.9 | -66.4 | 172 | 35 | 0 | 0 | 112.3 | Y273 D274 Y275 R276 V281 K282 | Y273-Q278 PolarHBondContact O-NE2 2.53Å; D274-Q278 WeakPolarHBondContact O-CG 3.5Å; D274-Q278 PolarHBondContact O-N 2.89Å; Y275-Q278 PolarHBondContact O-N 3.49Å; R276-Q278 VanDerWaalsContact C-N 3.31Å; R276-Q278 PolarHBondContact O-N 3.47Å; Q278-V281 PolarHBondContact O-N 3.17Å; Q278-K282 VanDerWaalsContact O-CB 3.27Å; Q278-K282 WeakPolarHBondContact O-CB 3.37Å; Q278-K282 PolarHBondContact O-N 3.47Å |
| 279 | I | 80.7 | Confident | 77.5 | Confident | 65 Ų | 65 | 116.1 Ų | 116.1 | 33% | 0.333 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.9 | -45.8 | 174.4 | -70.4 | 165.1 | 0 | 0 | 0 | 111.2 | Y275 R276 S277 V281 K282 N283 | Y275-I279 HydrophobicContact CD1-CD1 3.84Å; Y275-I279 HydrophobicContact CE1-CD1 3.42Å; Y275-I279 VanDerWaalsContact CE1-CD1 3.42Å; Y275-I279 HydrophobicContact CE1-CG1 4.46Å; Y275-I279 HydrophobicContact CE2-CD1 4.2Å; Y275-I279 HydrophobicContact CE2-CG1 4.45Å; Y275-I279 HydrophobicContact CG-CD1 4.39Å; Y275-I279 WeakPolarHBondContact O-CG1 3.26Å; Y275-I279 PolarHBondContact O-N 3Å; R276-I279 PolarHBondContact O-N 2.99Å; S277-I279 PolarHBondContact O-N 3.28Å; I279-V281 PolarHBondContact O-N 2.77Å; I279-K282 PolarHBondContact O-N 2.93Å; I279-N283 WeakPolarHBondContact O-CB 3.27Å; I279-N283 VanDerWaalsContact O-CG 3.3Å; I279-N283 PolarHBondContact O-N 3.08Å; I279-N283 PolarHBondContact O-OD1 3.07Å |
| 280 | L | 76.3 | Confident | 78.4 | Confident | 81 Ų | 81 | 106.7 Ų | 106.7 | 42% | 0.424 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62 | -42.4 | -179.2 | -70.3 | 172.1 | 0 | 0 | 0 | 112 | R276 S277 K284 | R276-L280 WeakPolarHBondContact O-CG 3.46Å; R276-L280 PolarHBondContact O-N 2.88Å; S277-L280 PolarHBondContact O-N 3.22Å; L280-K284 WeakPolarHBondContact O-CB 3.44Å; L280-K284 PolarHBondContact O-N 3.08Å |
| 281 | V | 79.4 | Confident | 78.8 | Confident | 78 Ų | 78 | 98.9 Ų | 98.9 | 47% | 0.473 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -66.1 | -46.6 | 175 | 174.2 | 0 | 0 | 0 | 0 | 110.9 | S277 Q278 I279 N283 K284 L285 | S277-V281 WeakPolarHBondContact O-CG2 3.23Å; S277-V281 PolarHBondContact O-N 3.49Å; Q278-V281 PolarHBondContact O-N 3.17Å; I279-V281 PolarHBondContact O-N 2.77Å; V281-N283 VanDerWaalsContact C-N 3.34Å; V281-N283 PolarHBondContact O-N 2.96Å; V281-K284 PolarHBondContact O-N 3.25Å; V281-L285 HydrophobicContact CG1-CD1 3.97Å; V281-L285 HydrophobicContact CG1-CG 4.42Å; V281-L285 WeakPolarHBondContact O-CG 3.22Å; V281-L285 PolarHBondContact O-N 2.86Å |
| 282 | K | 79.7 | Confident | 78.9 | Confident | 156 Ų | 156 | 97.9 Ų | 97.9 | 68% | 0.678 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -58.9 | -43.9 | 178.2 | -174.1 | 179.9 | 179.9 | -176.6 | 0 | 111.9 | Q278 I279 L285 K286 | Q278-K282 VanDerWaalsContact O-CB 3.27Å; Q278-K282 WeakPolarHBondContact O-CB 3.37Å; Q278-K282 PolarHBondContact O-N 3.47Å; I279-K282 PolarHBondContact O-N 2.93Å; K282-L285 PolarHBondContact O-N 2.8Å; K282-K286 WeakPolarHBondContact O-CB 3.47Å; K282-K286 PolarHBondContact O-N 3.21Å |
| 283 | N | 78.7 | Confident | 79 | Confident | 69 Ų | 69 | 93.3 Ų | 93.3 | 37% | 0.369 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -67.9 | -42.1 | 178.6 | -70.5 | 14.2 | 0 | 0 | 0 | 111.2 | I279 V281 L285 K286 I287 | I279-N283 WeakPolarHBondContact O-CB 3.27Å; I279-N283 VanDerWaalsContact O-CG 3.3Å; I279-N283 PolarHBondContact O-N 3.08Å; I279-N283 PolarHBondContact O-OD1 3.07Å; V281-N283 VanDerWaalsContact C-N 3.34Å; V281-N283 PolarHBondContact O-N 2.96Å; N283-L285 VanDerWaalsContact C-N 3.31Å; N283-L285 PolarHBondContact O-N 2.86Å; N283-K286 PolarHBondContact O-N 3.37Å; N283-I287 WeakPolarHBondContact O-CB 3.1Å; N283-I287 VanDerWaalsContact O-CG1 3.25Å; N283-I287 WeakPolarHBondContact O-CG1 3.38Å; N283-I287 PolarHBondContact O-N 2.99Å |
| 284 | K | 80.4 | Confident | 78.3 | Confident | 152 Ų | 152 | 90.1 Ų | 90.1 | 66% | 0.661 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -59.7 | -40.5 | 174.6 | -172.2 | 177.9 | -178.7 | -179.1 | 0 | 112 | L280 V281 S288 | L280-K284 WeakPolarHBondContact O-CB 3.44Å; L280-K284 PolarHBondContact O-N 3.08Å; V281-K284 PolarHBondContact O-N 3.25Å; K284-S288 WeakPolarHBondContact O-CB 3.4Å; K284-S288 PolarHBondContact O-N 3.08Å |
| 285 | L | 82.3 | Confident | 77.1 | Confident | 115 Ų | 115 | 89.5 Ų | 89.5 | 60% | 0.602 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -69.1 | -42.1 | 175.4 | -68 | 173.2 | 0 | 0 | 0 | 112.3 | V281 K282 N283 S288 Y289 | V281-L285 HydrophobicContact CG1-CD1 3.97Å; V281-L285 HydrophobicContact CG1-CG 4.42Å; V281-L285 WeakPolarHBondContact O-CG 3.22Å; V281-L285 PolarHBondContact O-N 2.86Å; K282-L285 PolarHBondContact O-N 2.8Å; N283-L285 VanDerWaalsContact C-N 3.31Å; N283-L285 PolarHBondContact O-N 2.86Å; L285-S288 PolarHBondContact O-N 2.8Å; L285-Y289 WeakPolarHBondContact O-CB 3.4Å; L285-Y289 PolarHBondContact O-N 3.03Å |
| 286 | K | 81.6 | Confident | 75.9 | Confident | 80 Ų | 80 | 85.2 Ų | 85.2 | 35% | 0.348 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -59.3 | -45.6 | 174 | -177 | 179.1 | 167.8 | -169.6 | 0 | 111 | K282 N283 Y289 L290 I413 L414 | K282-K286 WeakPolarHBondContact O-CB 3.47Å; K282-K286 PolarHBondContact O-N 3.21Å; N283-K286 PolarHBondContact O-N 3.37Å; K286-Y289 PolarHBondContact O-N 3.21Å; K286-L290 HydrophobicContact CG-CD1 4.1Å; K286-L290 VanDerWaalsContact O-CG 3.31Å; K286-L290 WeakPolarHBondContact O-CG 3.27Å; K286-L290 PolarHBondContact O-N 3.3Å; K286-I413 PolarHBondContact NZ-O 3.1Å; K286-L414 HydrophobicContact CD-CD2 3.82Å; K286-L414 HydrophobicContact CG-CD2 4.07Å; K286-L414 PolarHBondContact NZ-O 3.31Å |
| 287 | I | 77.3 | Confident | 74.8 | Confident | 14 Ų | 14 | 79.1 Ų | 79.1 | 7% | 0.072 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -60.4 | -51.3 | 176.1 | -69 | 163.8 | 0 | 0 | 0 | 110.8 | N283 Y289 L290 L291 L362 T363 L414 | N283-I287 WeakPolarHBondContact O-CB 3.1Å; N283-I287 VanDerWaalsContact O-CG1 3.25Å; N283-I287 WeakPolarHBondContact O-CG1 3.38Å; N283-I287 PolarHBondContact O-N 2.99Å; I287-Y289 VanDerWaalsContact C-N 3.31Å; I287-Y289 PolarHBondContact O-N 3.41Å; I287-L290 PolarHBondContact O-N 2.83Å; I287-L291 HydrophobicContact CG2-CD1 3.68Å; I287-L291 HydrophobicContact CG2-CG 4.3Å; I287-L291 WeakPolarHBondContact O-CG 3.49Å; I287-L291 PolarHBondContact O-N 3.09Å; I287-L362 HydrophobicContact CD1-CB 4.2Å; I287-L362 HydrophobicContact CG1-CD1 4.37Å; I287-L362 HydrophobicContact CG2-CD1 3.75Å; I287-T363 HydrophobicContact CD1-CG2 4.12Å; I287-L414 HydrophobicContact CD1-CD1 4.08Å; I287-L414 HydrophobicContact CG1-CD1 3.78Å; I287-L414 HydrophobicContact CG1-CD2 3.82Å; I287-L414 HydrophobicContact CG1-CG 4.46Å |
| 288 | S | 74.7 | Confident | 73.5 | Confident | 50 Ų | 50 | 82.5 Ų | 82.5 | 35% | 0.35 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -58.4 | -42.4 | 178.6 | -173.7 | 0 | 0 | 0 | 0 | 112.2 | K284 L285 N292 | K284-S288 WeakPolarHBondContact O-CB 3.4Å; K284-S288 PolarHBondContact O-N 3.08Å; L285-S288 PolarHBondContact O-N 2.8Å; S288-N292 WeakPolarHBondContact O-CB 3.31Å; S288-N292 PolarHBondContact O-N 3.43Å; S288-N292 VanDerWaalsContact O-N 3.08Å; S288-N292 PolarHBondContact O-ND2 3.5Å |
| 289 | Y | 80.6 | Confident | 71.9 | Confident | 152 Ų | 152 | 84.1 Ų | 84.1 | 60% | 0.596 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -63.6 | -46.3 | 176.2 | 174.4 | -97.8 | 0 | 0 | 0 | 112.3 | L285 K286 I287 N292 K293 | L285-Y289 WeakPolarHBondContact O-CB 3.4Å; L285-Y289 PolarHBondContact O-N 3.03Å; K286-Y289 PolarHBondContact O-N 3.21Å; I287-Y289 VanDerWaalsContact C-N 3.31Å; I287-Y289 PolarHBondContact O-N 3.41Å; Y289-N292 PolarHBondContact O-N 2.78Å; Y289-K293 HydrophobicContact CE1-CD 4.39Å; Y289-K293 WeakPolarHBondContact O-CB 3.45Å; Y289-K293 PolarHBondContact O-N 2.97Å |
| 290 | L | 78.9 | Confident | 70.2 | Confident | 24 Ų | 24 | 88.1 Ų | 88.1 | 13% | 0.126 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -64.6 | -43.8 | 179.4 | -70.7 | 173.6 | 0 | 0 | 0 | 111.9 | K286 I287 K293 E294 L410 I413 | K286-L290 HydrophobicContact CG-CD1 4.1Å; K286-L290 VanDerWaalsContact O-CG 3.31Å; K286-L290 WeakPolarHBondContact O-CG 3.27Å; K286-L290 PolarHBondContact O-N 3.3Å; I287-L290 PolarHBondContact O-N 2.83Å; L290-K293 PolarHBondContact O-N 3.27Å; L290-E294 PolarHBondContact O-N 2.98Å; L290-L410 HydrophobicContact CB-CD2 4Å; L290-L410 HydrophobicContact CD1-CD2 4.3Å; L290-I413 HydrophobicContact CD1-CG2 4.09Å |
| 291 | L | 73.9 | Confident | 68.7 | Low | 5 Ų | 5 | 94.5 Ų | 94.5 | 3% | 0.026 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -60.6 | -47.2 | 176.8 | -71.1 | 170.4 | 0 | 0 | 0 | 111.7 | I287 K293 E294 L295 H355 I358 L410 | I287-L291 HydrophobicContact CG2-CD1 3.68Å; I287-L291 HydrophobicContact CG2-CG 4.3Å; I287-L291 WeakPolarHBondContact O-CG 3.49Å; I287-L291 PolarHBondContact O-N 3.09Å; L291-K293 VanDerWaalsContact C-N 3.32Å; L291-K293 PolarHBondContact O-N 3.22Å; L291-E294 PolarHBondContact O-N 3.46Å; L291-L295 WeakPolarHBondContact O-CB 3.4Å; L291-L295 WeakPolarHBondContact O-CD1 3.47Å; L291-L295 WeakPolarHBondContact O-CG 3.25Å; L291-L295 PolarHBondContact O-N 3.45Å; L291-H355 WeakPolarHBondContact CB-NE2 3.27Å; L291-H355 VanDerWaalsContact CD1-CE1 3.47Å; L291-H355 WeakPolarHBondContact CD1-CE1 3.36Å; L291-I358 HydrophobicContact CD2-CB 4.17Å; L291-I358 HydrophobicContact CD2-CD1 4.44Å; L291-I358 HydrophobicContact CD2-CG2 3.64Å; L291-L410 HydrophobicContact CD2-CD1 3.5Å; L291-L410 VanDerWaalsContact CD2-CD1 3.5Å; L291-L410 HydrophobicContact CG-CD1 4.26Å |
| 292 | N | 75.6 | Confident | 66.9 | Low | 85 Ų | 85 | 95.8 Ų | 95.8 | 46% | 0.455 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.2 | -37.7 | 175.8 | -78.2 | -68.6 | 0 | 0 | 0 | 112.1 | S288 Y289 T296 | S288-N292 WeakPolarHBondContact O-CB 3.31Å; S288-N292 PolarHBondContact O-N 3.43Å; S288-N292 VanDerWaalsContact O-N 3.08Å; S288-N292 PolarHBondContact O-ND2 3.5Å; Y289-N292 PolarHBondContact O-N 2.78Å; N292-T296 WeakPolarHBondContact O-CB 3.42Å; N292-T296 VanDerWaalsContact O-CG2 3.26Å; N292-T296 WeakPolarHBondContact O-CG2 3.35Å; N292-T296 PolarHBondContact O-N 3.44Å; N292-T296 PolarHBondContact O-OG1 3.4Å |
| 293 | K | 77.5 | Confident | 65 | Low | 93 Ų | 93 | 100.2 Ų | 100.2 | 40% | 0.404 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.9 | -54.3 | 176.4 | -173.3 | -175.2 | 173.8 | -165.5 | 0 | 111.2 | Y289 L290 L291 L295 T296 T297 | Y289-K293 HydrophobicContact CE1-CD 4.39Å; Y289-K293 WeakPolarHBondContact O-CB 3.45Å; Y289-K293 PolarHBondContact O-N 2.97Å; L290-K293 PolarHBondContact O-N 3.27Å; L291-K293 VanDerWaalsContact C-N 3.32Å; L291-K293 PolarHBondContact O-N 3.22Å; K293-L295 VanDerWaalsContact C-N 3.34Å; K293-L295 PolarHBondContact O-N 3.06Å; K293-T296 PolarHBondContact O-N 2.87Å; K293-T296 PolarHBondContact O-OG1 3.38Å; K293-T297 HydrophobicContact CG-CG2 4.36Å; K293-T297 WeakPolarHBondContact O-CG2 3.35Å; K293-T297 PolarHBondContact O-N 3.25Å; K293-T297 PolarHBondContact O-OG1 2.91Å |
| 294 | E | 66.1 | Low | 62.8 | Low | 88 Ų | 88 | 101.2 Ų | 101.2 | 41% | 0.411 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.5 | -34.2 | -176.2 | -64 | -51.4 | 133.2 | 0 | 0 | 113 | L290 L291 T297 K298 | L290-E294 PolarHBondContact O-N 2.98Å; L291-E294 PolarHBondContact O-N 3.46Å; E294-T297 WeakPolarHBondContact CA-OG1 3.5Å; E294-T297 PolarHBondContact O-OG1 3.37Å; E294-K298 WeakPolarHBondContact O-CG 3.43Å; E294-K298 PolarHBondContact O-N 3.39Å |
| 295 | L | 57.8 | Low | 60.5 | Low | 67 Ų | 67 | 105.4 Ų | 105.4 | 35% | 0.351 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -75 | -26.2 | 176.2 | -70.1 | 165.6 | 0 | 0 | 0 | 113.1 | L291 K293 H355 | L291-L295 WeakPolarHBondContact O-CB 3.4Å; L291-L295 WeakPolarHBondContact O-CD1 3.47Å; L291-L295 WeakPolarHBondContact O-CG 3.25Å; L291-L295 PolarHBondContact O-N 3.45Å; K293-L295 VanDerWaalsContact C-N 3.34Å; K293-L295 PolarHBondContact O-N 3.06Å; L295-H355 HydrophobicContact CD1-CB 4.42Å |
| 296 | T | 56 | Low | 58.2 | Low | 84 Ų | 84 | 105.7 Ų | 105.7 | 52% | 0.515 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -85.5 | -30.8 | 174.6 | 52.8 | 0 | 0 | 0 | 0 | 113.1 | N292 K293 | N292-T296 WeakPolarHBondContact O-CB 3.42Å; N292-T296 VanDerWaalsContact O-CG2 3.26Å; N292-T296 WeakPolarHBondContact O-CG2 3.35Å; N292-T296 PolarHBondContact O-N 3.44Å; N292-T296 PolarHBondContact O-OG1 3.4Å; K293-T296 PolarHBondContact O-N 2.87Å; K293-T296 PolarHBondContact O-OG1 3.38Å |
| 297 | T | 54 | Low | 55.8 | Low | 57 Ų | 57 | 109.5 Ų | 109.5 | 35% | 0.35 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -72.8 | -33.4 | 177.3 | 51.1 | 0 | 0 | 0 | 0 | 113.4 | K293 E294 | K293-T297 HydrophobicContact CG-CG2 4.36Å; K293-T297 WeakPolarHBondContact O-CG2 3.35Å; K293-T297 PolarHBondContact O-N 3.25Å; K293-T297 PolarHBondContact O-OG1 2.91Å; E294-T297 WeakPolarHBondContact CA-OG1 3.5Å; E294-T297 PolarHBondContact O-OG1 3.37Å |
| 298 | K | 51.4 | Low | 53.7 | Low | 108 Ų | 108 | 114.3 Ų | 114.3 | 47% | 0.47 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -68.7 | -42.6 | 175.2 | -72.3 | -169.1 | 175.2 | -161.7 | 0 | 113.1 | E294 N300 R301 E302 | E294-K298 WeakPolarHBondContact O-CG 3.43Å; E294-K298 PolarHBondContact O-N 3.39Å; K298-N300 PolarHBondContact O-N 2.94Å; K298-R301 PolarHBondContact O-N 3Å; K298-E302 PolarHBondContact O-N 2.96Å |
| 299 | N | 46.2 | Very low | 51.7 | Low | 143 Ų | 143 | 119.4 Ų | 119.4 | 77% | 0.765 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.1 | -19.2 | 178.7 | -104.1 | -31.1 | 0 | 0 | 0 | 114.7 | ||
| 300 | N | 45 | Very low | 49.3 | Very low | 149 Ų | 149 | 119.9 Ų | 119.9 | 80% | 0.797 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.8 | 0.5 | 177 | -83.1 | -39.1 | 0 | 0 | 0 | 114.6 | K298 | K298-N300 PolarHBondContact O-N 2.94Š|
| 301 | R | 45.6 | Very low | 47.2 | Very low | 215 Ų | 215 | 128.1 Ų | 128.1 | 81% | 0.811 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125 | -22.5 | -176.8 | -77.4 | -173.2 | 170.9 | -175.6 | -2.8 | 116 | K298 R303 | K298-R301 PolarHBondContact O-N 3Å; R301-R303 VanDerWaalsContact C-N 3.29Å; R301-R303 PolarHBondContact O-N 3.26Å |
| 302 | E | 41.6 | Very low | 45.2 | Very low | 106 Ų | 106 | 133.6 Ų | 133.6 | 50% | 0.495 | 66% | 0.661 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.8 | 4 | -177.7 | -79 | 170.5 | 156.6 | 0 | 0 | 115 | K298 S304 I306 | K298-E302 PolarHBondContact O-N 2.96Å; E302-S304 PolarHBondContact O-N 3.24Å; E302-I306 HydrophobicContact CB-CD1 4.34Å; E302-I306 HydrophobicContact CG-CD1 4.21Å; E302-I306 HydrophobicContact CG-CG1 4.45Å |
| 303 | R | 39.7 | Very low | 43.1 | Very low | 248 Ų | 248 | 139.4 Ų | 139.4 | 94% | 0.936 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | -6.1 | 172.7 | -155.7 | 172.1 | -173.5 | 176.5 | 2.4 | 113.8 | R301 | R301-R303 VanDerWaalsContact C-N 3.29Å; R301-R303 PolarHBondContact O-N 3.26Å |
| 304 | S | 32.8 | Very low | 40.8 | Very low | 91 Ų | 91 | 143 Ų | 143 | 64% | 0.636 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -147.1 | 124.7 | 175.6 | -60.5 | 0 | 0 | 0 | 0 | 110.6 | E302 | E302-S304 PolarHBondContact O-N 3.24Š|
| 305 | R | 31.5 | Very low | 39.2 | Very low | 239 Ų | 239 | 144.6 Ų | 144.6 | 90% | 0.902 | 72% | 0.723 | S | S | * | * | trans | 76 | 76.1 | 173.4 | -45.8 | 172.9 | -169.2 | -174.7 | 2.2 | 116.1 | ||||
| 306 | I | 34 | Very low | 38.2 | Very low | 122 Ų | 122 | 149.4 Ų | 149.4 | 63% | 0.626 | 75% | 0.748 | S | S | * | * | trans | -106.6 | 96.6 | 146.2 | -58.6 | 177.9 | 0 | 0 | 0 | 107 | E302 | E302-I306 HydrophobicContact CB-CD1 4.34Å; E302-I306 HydrophobicContact CG-CD1 4.21Å; E302-I306 HydrophobicContact CG-CG1 4.45Å | ||
| 307 | L | 30.7 | Very low | 37.2 | Very low | 159 Ų | 159 | 154.2 Ų | 154.2 | 83% | 0.832 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 124.1 | 157.2 | -74.2 | 169.7 | 0 | 0 | 0 | 106.3 | L309 | L307-L309 PolarHBondContact O-N 3.42Š|
| 308 | P | 34.4 | Very low | 36.1 | Very low | 115 Ų | 115 | 158 Ų | 158 | 75% | 0.747 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -61 | 120.3 | 171.8 | -21.5 | 33.6 | 0 | 0 | 0 | 109.6 | ||
| 309 | L | 33.1 | Very low | 35.4 | Very low | 157 Ų | 157 | 160.8 Ų | 160.8 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 128.5 | 170.3 | -90.5 | 159.6 | 0 | 0 | 0 | 109.1 | L307 F311 | L307-L309 PolarHBondContact O-N 3.42Å; L309-F311 PolarHBondContact O-N 2.93Å |
| 310 | D | 29.1 | Very low | 34.8 | Very low | 162 Ų | 162 | 159.2 Ų | 159.2 | 87% | 0.866 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 118.3 | -179.2 | -74.3 | -71.8 | 0 | 0 | 0 | 112.5 | ||
| 311 | F | 34.3 | Very low | 34.4 | Very low | 197 Ų | 197 | 159.4 Ų | 159.4 | 86% | 0.864 | 77% | 0.769 | S | S | * | * | trans | -106.6 | 121.2 | 156.7 | -85.8 | -81.6 | 0 | 0 | 0 | 110 | L309 | L309-F311 PolarHBondContact O-N 2.93Š| ||
| 312 | C | 32.5 | Very low | 33.8 | Very low | 121 Ų | 121 | 154.5 Ų | 154.5 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | trans | -28.6 | 127.6 | -177.6 | -58.1 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 313 | K | 32.5 | Very low | 33.7 | Very low | 206 Ų | 206 | 154.2 Ų | 154.2 | 90% | 0.896 | 77% | 0.773 | S | S | * | * | trans | -53.6 | 134.8 | 164.4 | -65.3 | 169.2 | 179 | 170.7 | 0 | 110.9 | ||||
| 314 | L | 29.1 | Very low | 33.5 | Very low | 168 Ų | 168 | 149.5 Ų | 149.5 | 88% | 0.88 | 77% | 0.767 | S | S | * | * | trans | -113.9 | 141 | 158.3 | -135.8 | 77.5 | 0 | 0 | 0 | 109.3 | ||||
| 315 | P | 32.9 | Very low | 33.9 | Very low | 123 Ų | 123 | 150.8 Ų | 150.8 | 80% | 0.799 | 77% | 0.773 | S | S | * | * | trans | -80.6 | 149.8 | -162.4 | -16.4 | 32.9 | 0 | 0 | 0 | 115.8 | ||||
| 316 | L | 36.8 | Very low | 34.5 | Very low | 167 Ų | 167 | 145 Ų | 145 | 87% | 0.874 | 77% | 0.767 | S | S | * | * | trans | -68.3 | 163.9 | 161 | -72.9 | 163.5 | 0 | 0 | 0 | 111.6 | ||||
| 317 | K | 34.9 | Very low | 34.6 | Very low | 185 Ų | 185 | 143.3 Ų | 143.3 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | trans | 103.3 | 131 | 174.3 | -63.6 | -76.2 | 177.9 | 174.5 | 0 | 112.7 | ||||
| 318 | L | 31.2 | Very low | 35.2 | Very low | 136 Ų | 136 | 147.4 Ų | 147.4 | 71% | 0.712 | 78% | 0.775 | S | S | * | * | cis | -148 | -175.6 | -1.5 | -74.2 | 130.3 | 0 | 0 | 0 | 107.2 | ||||
| 319 | Y | 35.1 | Very low | 35.4 | Very low | 168 Ų | 168 | 147.5 Ų | 147.5 | 66% | 0.659 | 78% | 0.776 | S | S | * | * | cis | -165.8 | 142.1 | 17.7 | -153.7 | -141.9 | 0 | 0 | 0 | 110.2 | ||||
| 320 | E | 33.3 | Very low | 35.5 | Very low | 109 Ų | 109 | 146 Ų | 146 | 51% | 0.509 | 77% | 0.769 | S | S | . | * | 37.9 | 162.4 | 129.3 | -70 | -163.9 | 172.8 | 0 | 0 | 124.4 | |||||
| 321 | K | 36.7 | Very low | 36.1 | Very low | 154 Ų | 154 | 145.2 Ų | 145.2 | 67% | 0.67 | 77% | 0.77 | S | S | * | * | cis | -155.7 | 145.1 | -3.2 | -130.3 | 179.4 | -170.7 | 112.5 | 0 | 109 | ||||
| 322 | S | 33.9 | Very low | 36.6 | Very low | 112 Ų | 112 | 142 Ų | 142 | 78% | 0.783 | 76% | 0.761 | S | S | * | * | trans | -166 | 87.2 | 141.7 | -165.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 323 | T | 39.5 | Very low | 36.9 | Very low | 99 Ų | 99 | 142 Ų | 142 | 61% | 0.607 | 76% | 0.759 | S | S | * | * | trans | 41.5 | 104.5 | 135.4 | 31.4 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 324 | N | 36.2 | Very low | 37.5 | Very low | 150 Ų | 150 | 137.9 Ų | 137.9 | 80% | 0.802 | 75% | 0.754 | S | S | * | * | 88.9 | 117.4 | 129.6 | -58.7 | -11 | 0 | 0 | 0 | 121.2 | |||||
| 325 | P | 41.1 | Very low | 37.6 | Very low | 118 Ų | 118 | 137 Ų | 137 | 77% | 0.766 | 75% | 0.75 | S | S | * | * | trans | -102.1 | -153.9 | 174.1 | 46.3 | -39 | 0 | 0 | 0 | 110.3 | ||||
| 326 | P | 42.8 | Very low | 37.8 | Very low | 118 Ų | 118 | 138.5 Ų | 138.5 | 77% | 0.766 | 75% | 0.75 | S | S | * | * | cis | -141.7 | -167 | -0.3 | 40.6 | -18.8 | 0 | 0 | 0 | 117.2 | ||||
| 327 | A | 37.8 | Very low | 37.6 | Very low | 86 Ų | 86 | 136.6 Ų | 136.6 | 71% | 0.711 | 75% | 0.745 | S | S | * | * | trans | 102.4 | 107 | 152.1 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 328 | R | 41.8 | Very low | 37.7 | Very low | 244 Ų | 244 | 133.6 Ų | 133.6 | 92% | 0.921 | 74% | 0.742 | S | S | * | * | -168.7 | 152.8 | 102 | -94.2 | 164.7 | -160.3 | -112 | 3.6 | 111.1 | |||||
| 329 | P | 39.1 | Very low | 37.8 | Very low | 118 Ų | 118 | 132.4 Ų | 132.4 | 77% | 0.766 | 75% | 0.745 | S | S | * | * | trans | -105.1 | 161.5 | -171.7 | 39.7 | -34.3 | 0 | 0 | 0 | 114.8 | ||||
| 330 | N | 35 | Very low | 37.8 | Very low | 126 Ų | 126 | 133.9 Ų | 133.9 | 67% | 0.674 | 76% | 0.755 | S | S | * | * | trans | 59.9 | 103.8 | 142.7 | -168.6 | 10.4 | 0 | 0 | 0 | 120 | ||||
| 331 | V | 42.4 | Very low | 37.5 | Very low | 145 Ų | 145 | 137.3 Ų | 137.3 | 88% | 0.879 | 77% | 0.771 | S | S | * | * | trans | -137.2 | 134.6 | 137.8 | -177.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 332 | N | 44.7 | Very low | 37.2 | Very low | 130 Ų | 130 | 138.3 Ų | 138.3 | 70% | 0.695 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 157.9 | -175.4 | -71.5 | -64.5 | 0 | 0 | 0 | 114.4 | ||
| 333 | P | 38.4 | Very low | 37.3 | Very low | 119 Ų | 119 | 135.5 Ų | 135.5 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 143.9 | 173.1 | 34.6 | -33.7 | 0 | 0 | 0 | 112.3 | ||
| 334 | P | 44.7 | Very low | 36.8 | Very low | 120 Ų | 120 | 137.8 Ų | 137.8 | 78% | 0.779 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -96.1 | 142.6 | 164.6 | 33.7 | -28.6 | 0 | 0 | 0 | 112.2 | ||
| 335 | N | 32.2 | Very low | 36.6 | Very low | 151 Ų | 151 | 134 Ų | 134 | 81% | 0.807 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 134.7 | 172.6 | -78.1 | -67.1 | 0 | 0 | 0 | 112.4 | ||
| 336 | I | 37.2 | Very low | 36.3 | Very low | 153 Ų | 153 | 131.8 Ų | 131.8 | 79% | 0.785 | 75% | 0.745 | S | S | * | * | trans | -120.6 | 99.9 | 149.7 | -65.5 | -178.3 | 0 | 0 | 0 | 107.8 | V338 | I336-V338 HydrophobicContact CG2-CG2 4.08Å; I336-V338 PolarHBondContact O-N 2.86Å | ||
| 337 | T | 32 | Very low | 35.8 | Very low | 127 Ų | 127 | 132.2 Ų | 132.2 | 78% | 0.779 | 74% | 0.74 | S | S | * | * | trans | -70.7 | 110.8 | 168.6 | 42.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 338 | V | 36 | Very low | 35.5 | Very low | 123 Ų | 123 | 133.2 Ų | 133.2 | 75% | 0.745 | 73% | 0.733 | S | S | * | * | trans | -127.9 | 115 | 159.3 | 176.7 | 0 | 0 | 0 | 0 | 108.9 | I336 | I336-V338 HydrophobicContact CG2-CG2 4.08Å; I336-V338 PolarHBondContact O-N 2.86Å | ||
| 339 | S | 33.5 | Very low | 35.2 | Very low | 110 Ų | 110 | 129.9 Ų | 129.9 | 77% | 0.769 | 72% | 0.721 | S | S | * | * | trans | 35.5 | 110.8 | 156.5 | -53.4 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 340 | K | 35.2 | Very low | 35.9 | Very low | 199 Ų | 199 | 129.9 Ų | 129.9 | 87% | 0.865 | 71% | 0.71 | S | S | * | * | trans | -57.8 | 167 | 147.2 | -71.4 | 172.5 | 175.8 | 172.1 | 0 | 110.6 | ||||
| 341 | E | 28 | Very low | 36.9 | Very low | 182 Ų | 182 | 126.9 Ų | 126.9 | 85% | 0.85 | 70% | 0.696 | S | S | * | * | trans | 82.8 | 144.8 | 175.5 | -51.2 | -163.6 | 134.9 | 0 | 0 | 116.1 | ||||
| 342 | L | 30 | Very low | 37.9 | Very low | 175 Ų | 175 | 126.8 Ų | 126.8 | 92% | 0.916 | 68% | 0.684 | S | S | * | * | trans | 71.4 | 127.6 | -177 | -47.2 | 162.1 | 0 | 0 | 0 | 113.1 | ||||
| 343 | A | 35.2 | Very low | 39.2 | Very low | 53 Ų | 53 | 123.8 Ų | 123.8 | 44% | 0.438 | 67% | 0.668 | S | S | . | * | cis | -147.9 | 108.8 | 17.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | P345 S346 | A343-P345 HydrophobicContact CB-CB 4.35Å; A343-P345 HydrophobicContact CB-CG 4.23Å; A343-S346 PolarHBondContact O-N 3.3Å; A343-S346 VanDerWaalsContact O-N 3.1Å; A343-S346 PolarHBondContact O-OG 2.96Å; A343-S346 VanDerWaalsContact O-OG 3.11Å | ||
| 344 | L | 30.3 | Very low | 41.2 | Very low | 147 Ų | 147 | 120.5 Ų | 120.5 | 77% | 0.77 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -40.7 | -32.8 | 160.3 | -136.2 | 76 | 0 | 0 | 0 | 114.7 | S346 | L344-S346 PolarHBondContact O-N 3.05Å; L344-S346 VanDerWaalsContact O-N 3.11Å |
| 345 | P | 31 | Very low | 42.8 | Very low | 71 Ų | 71 | 117 Ų | 117 | 46% | 0.461 | 62% | 0.616 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -49.5 | -19.5 | 169.5 | -36.6 | 35.6 | 0 | 0 | 0 | 119.5 | A343 R349 | A343-P345 HydrophobicContact CB-CB 4.35Å; A343-P345 HydrophobicContact CB-CG 4.23Å; P345-R349 WeakPolarHBondContact O-CG 3.29Å |
| 346 | S | 33.9 | Very low | 45.3 | Very low | 71 Ų | 71 | 115 Ų | 115 | 50% | 0.497 | 60% | 0.602 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76 | -44.8 | -179.4 | 53.7 | 0 | 0 | 0 | 0 | 112.8 | A343 L344 L348 R349 | A343-S346 PolarHBondContact O-N 3.3Å; A343-S346 VanDerWaalsContact O-N 3.1Å; A343-S346 PolarHBondContact O-OG 2.96Å; A343-S346 VanDerWaalsContact O-OG 3.11Å; L344-S346 PolarHBondContact O-N 3.05Å; L344-S346 VanDerWaalsContact O-N 3.11Å; S346-L348 VanDerWaalsContact C-N 3.27Å; S346-L348 PolarHBondContact O-N 3.16Å; S346-R349 WeakPolarHBondContact O-CB 3.48Å; S346-R349 PolarHBondContact O-N 3.23Å; S346-R349 VanDerWaalsContact O-N 3.08Å |
| 347 | L | 33.8 | Very low | 47.7 | Very low | 127 Ų | 127 | 109.5 Ų | 109.5 | 67% | 0.665 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -65.3 | -30.9 | 176 | -69.3 | 173.4 | 0 | 0 | 0 | 112.4 | R349 H350 | L347-R349 PolarHBondContact O-N 3.34Å; L347-H350 PolarHBondContact O-N 3.39Å |
| 348 | L | 31.5 | Very low | 50.2 | Low | 107 Ų | 107 | 103.8 Ų | 103.8 | 56% | 0.56 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -68.7 | -16.5 | 173.4 | -81.3 | 164.9 | 0 | 0 | 0 | 114.3 | S346 T351 | S346-L348 VanDerWaalsContact C-N 3.27Å; S346-L348 PolarHBondContact O-N 3.16Å; L348-T351 PolarHBondContact O-OG1 3.19Å |
| 349 | R | 34.7 | Very low | 52.5 | Low | 174 Ų | 174 | 99.6 Ų | 99.6 | 66% | 0.657 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -76.8 | -49 | 173.3 | -67.5 | 174.1 | -160.9 | -130.5 | 6.9 | 110.6 | P345 S346 L347 T351 K352 D353 | P345-R349 WeakPolarHBondContact O-CG 3.29Å; S346-R349 WeakPolarHBondContact O-CB 3.48Å; S346-R349 PolarHBondContact O-N 3.23Å; S346-R349 VanDerWaalsContact O-N 3.08Å; L347-R349 PolarHBondContact O-N 3.34Å; R349-T351 PolarHBondContact O-N 3.13Å; R349-T351 VanDerWaalsContact O-N 3.15Å; R349-K352 WeakPolarHBondContact O-CB 3.29Å; R349-K352 PolarHBondContact O-N 2.81Å; R349-D353 PolarHBondContact O-N 2.85Å |
| 350 | H | 53.6 | Low | 55 | Low | 118 Ų | 118 | 96.2 Ų | 96.2 | 55% | 0.546 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -54 | -37.8 | 179.6 | -82 | -54.3 | 0 | 0 | 0 | 113.3 | L347 K352 D353 I354 | L347-H350 PolarHBondContact O-N 3.39Å; H350-K352 VanDerWaalsContact C-N 3.27Å; H350-K352 PolarHBondContact O-N 2.64Å; H350-D353 PolarHBondContact O-N 2.88Å; H350-D353 VanDerWaalsContact O-N 3.17Å; H350-I354 HydrophobicContact CB-CD1 4.37Å; H350-I354 WeakPolarHBondContact O-CB 3.34Å; H350-I354 WeakPolarHBondContact O-CD1 3.3Å; H350-I354 WeakPolarHBondContact O-CG1 3.35Å; H350-I354 PolarHBondContact O-N 2.7Å |
| 351 | T | 57 | Low | 57.5 | Low | 62 Ų | 62 | 87 Ų | 87 | 38% | 0.38 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62.7 | -32.1 | 178.4 | 63.1 | 0 | 0 | 0 | 0 | 113.4 | L348 R349 H355 | L348-T351 PolarHBondContact O-OG1 3.19Å; R349-T351 PolarHBondContact O-N 3.13Å; R349-T351 VanDerWaalsContact O-N 3.15Å; T351-H355 WeakPolarHBondContact O-CB 3.4Å; T351-H355 PolarHBondContact O-N 2.98Å; T351-H355 VanDerWaalsContact O-N 3.12Å |
| 352 | K | 62.6 | Low | 60.2 | Low | 144 Ų | 144 | 78.9 Ų | 78.9 | 63% | 0.626 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -74 | -36.6 | 175.5 | -64.9 | -178.1 | 179.7 | 179.3 | 0 | 111.8 | R349 H350 Q356 | R349-K352 WeakPolarHBondContact O-CB 3.29Å; R349-K352 PolarHBondContact O-N 2.81Å; H350-K352 VanDerWaalsContact C-N 3.27Å; H350-K352 PolarHBondContact O-N 2.64Å; K352-Q356 VanDerWaalsContact O-CG 3.3Å; K352-Q356 WeakPolarHBondContact O-CG 3.38Å; K352-Q356 PolarHBondContact O-N 2.72Å; K352-Q356 PolarHBondContact O-NE2 3.13Å; K352-Q356 VanDerWaalsContact O-NE2 3.14Å |
| 353 | D | 71.5 | Confident | 62.7 | Low | 66 Ų | 66 | 72.8 Ų | 72.8 | 35% | 0.353 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -72.1 | -45.2 | 179.4 | -57.5 | -29.9 | 0 | 0 | 0 | 110.3 | R349 H350 H355 Q356 H357 | R349-D353 PolarHBondContact O-N 2.85Å; H350-D353 PolarHBondContact O-N 2.88Å; H350-D353 VanDerWaalsContact O-N 3.17Å; D353-H355 VanDerWaalsContact C-N 3.35Å; D353-H355 PolarHBondContact O-N 3.14Å; D353-Q356 CarbonylContact O-C 3.55Å; D353-Q356 WeakPolarHBondContact O-CA 3.39Å; D353-Q356 WeakPolarHBondContact O-CB 3.5Å; D353-Q356 PolarHBondContact O-N 3.01Å; D353-H357 PolarHBondContact O-CD2 3.22Å; D353-H357 PolarHBondContact O-N 3.33Å |
| 354 | I | 80.4 | Confident | 65 | Low | 50 Ų | 50 | 71.9 Ų | 71.9 | 26% | 0.256 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -54.8 | -47.7 | 171.5 | -68.5 | 161.9 | 0 | 0 | 0 | 111 | H350 Q356 H357 I358 E403 | H350-I354 HydrophobicContact CB-CD1 4.37Å; H350-I354 WeakPolarHBondContact O-CB 3.34Å; H350-I354 WeakPolarHBondContact O-CD1 3.3Å; H350-I354 WeakPolarHBondContact O-CG1 3.35Å; H350-I354 PolarHBondContact O-N 2.7Å; I354-Q356 VanDerWaalsContact C-N 3.29Å; I354-Q356 PolarHBondContact O-N 2.86Å; I354-H357 PolarHBondContact O-N 3.41Å; I354-I358 HydrophobicContact CG2-CD1 3.64Å; I354-I358 HydrophobicContact CG2-CG1 4.46Å; I354-I358 WeakPolarHBondContact O-CG1 3.36Å; I354-I358 PolarHBondContact O-N 2.84Å; I354-E403 WeakPolarHBondContact CG1-OE1 3.43Å; I354-E403 HydrophobicContact CG2-CG 4.36Å |
| 355 | H | 79.2 | Confident | 67.6 | Low | 46 Ų | 46 | 65.7 Ų | 65.7 | 21% | 0.213 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.7 | -33.7 | 178 | -171.6 | -56.4 | 0 | 0 | 0 | 112 | L291 L295 T351 D353 S359 | L291-H355 WeakPolarHBondContact CB-NE2 3.27Å; L291-H355 VanDerWaalsContact CD1-CE1 3.47Å; L291-H355 WeakPolarHBondContact CD1-CE1 3.36Å; L295-H355 HydrophobicContact CD1-CB 4.42Å; T351-H355 WeakPolarHBondContact O-CB 3.4Å; T351-H355 PolarHBondContact O-N 2.98Å; T351-H355 VanDerWaalsContact O-N 3.12Å; D353-H355 VanDerWaalsContact C-N 3.35Å; D353-H355 PolarHBondContact O-N 3.14Å; H355-S359 WeakPolarHBondContact O-CB 3.3Å; H355-S359 PolarHBondContact O-N 2.91Å |
| 356 | Q | 83.7 | Confident | 70.2 | Confident | 109 Ų | 109 | 62.7 Ų | 62.7 | 51% | 0.509 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -69.3 | -46.2 | 173.5 | -76.2 | 171.2 | 70.2 | 0 | 0 | 111.4 | K352 D353 I354 S359 L360 | K352-Q356 VanDerWaalsContact O-CG 3.3Å; K352-Q356 WeakPolarHBondContact O-CG 3.38Å; K352-Q356 PolarHBondContact O-N 2.72Å; K352-Q356 PolarHBondContact O-NE2 3.13Å; K352-Q356 VanDerWaalsContact O-NE2 3.14Å; D353-Q356 CarbonylContact O-C 3.55Å; D353-Q356 WeakPolarHBondContact O-CA 3.39Å; D353-Q356 WeakPolarHBondContact O-CB 3.5Å; D353-Q356 PolarHBondContact O-N 3.01Å; I354-Q356 VanDerWaalsContact C-N 3.29Å; I354-Q356 PolarHBondContact O-N 2.86Å; Q356-S359 PolarHBondContact O-N 3.44Å; Q356-L360 WeakPolarHBondContact O-CB 3.38Å; Q356-L360 VanDerWaalsContact O-CG 3.28Å; Q356-L360 WeakPolarHBondContact O-CG 3.38Å; Q356-L360 PolarHBondContact O-N 2.96Å |
| 357 | H | 87.6 | Confident | 72.7 | Confident | 39 Ų | 39 | 61.5 Ų | 61.5 | 18% | 0.181 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -57.8 | -51.7 | 177.4 | -68.4 | -179.9 | 0 | 0 | 0 | 111.7 | D353 I354 S359 L360 L361 I399 E403 | D353-H357 PolarHBondContact O-CD2 3.22Å; D353-H357 PolarHBondContact O-N 3.33Å; I354-H357 PolarHBondContact O-N 3.41Å; H357-S359 PolarHBondContact O-N 3.23Å; H357-L360 PolarHBondContact O-N 3.47Å; H357-L361 WeakPolarHBondContact O-CG 3.48Å; H357-L361 PolarHBondContact O-N 3.08Å; H357-I399 HydrophobicContact CB-CD1 4.28Å; H357-E403 WeakPolarHBondContact CB-OE2 3.4Å; H357-E403 IonicContact CE1-OE2 3.74Å; H357-E403 IonicContact CG-OE2 2.74Å; H357-E403 IonicContact ND1-OE1 3.13Å; H357-E403 IonicContact ND1-OE2 2.67Å; H357-E403 PolarHBondContact ND1-OE2 3.04Å |
| 358 | I | 85.5 | Confident | 75.4 | Confident | 6 Ų | 6 | 56.9 Ų | 56.9 | 3% | 0.031 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.1 | -42 | 178.6 | -58.9 | 162 | 0 | 0 | 0 | 110.6 | L291 I354 L360 L361 L362 E403 V406 A407 L410 | L291-I358 HydrophobicContact CD2-CB 4.17Å; L291-I358 HydrophobicContact CD2-CD1 4.44Å; L291-I358 HydrophobicContact CD2-CG2 3.64Å; I354-I358 HydrophobicContact CG2-CD1 3.64Å; I354-I358 HydrophobicContact CG2-CG1 4.46Å; I354-I358 WeakPolarHBondContact O-CG1 3.36Å; I354-I358 PolarHBondContact O-N 2.84Å; I358-L360 VanDerWaalsContact C-N 3.3Å; I358-L360 PolarHBondContact O-N 2.93Å; I358-L361 PolarHBondContact O-N 3.49Å; I358-L362 HydrophobicContact CG2-CD1 3.95Å; I358-L362 HydrophobicContact CG2-CG 4.37Å; I358-L362 VanDerWaalsContact O-CG 3.29Å; I358-L362 WeakPolarHBondContact O-CG 3.34Å; I358-L362 PolarHBondContact O-N 3.22Å; I358-E403 HydrophobicContact CG1-CB 4.39Å; I358-V406 HydrophobicContact CD1-CB 4.22Å; I358-V406 HydrophobicContact CD1-CG1 3.78Å; I358-A407 HydrophobicContact CG2-CB 4.11Å; I358-L410 HydrophobicContact CG2-CD1 3.9Å |
| 359 | S | 84 | Confident | 78.1 | Confident | 35 Ų | 35 | 55.9 Ų | 55.9 | 25% | 0.245 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.2 | -38.2 | 175.3 | -178.3 | 0 | 0 | 0 | 0 | 112.2 | H355 Q356 H357 T363 | H355-S359 WeakPolarHBondContact O-CB 3.3Å; H355-S359 PolarHBondContact O-N 2.91Å; Q356-S359 PolarHBondContact O-N 3.44Å; H357-S359 PolarHBondContact O-N 3.23Å; S359-T363 WeakPolarHBondContact O-CB 3.09Å; S359-T363 VanDerWaalsContact O-CG2 3.29Å; S359-T363 WeakPolarHBondContact O-CG2 3.47Å; S359-T363 PolarHBondContact O-N 2.79Å; S359-T363 VanDerWaalsContact O-N 3.13Å; S359-T363 PolarHBondContact O-OG1 3.27Å |
| 360 | L | 86.7 | Confident | 80.6 | Confident | 40 Ų | 40 | 49 Ų | 49 | 21% | 0.209 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -69 | -47.3 | 176.1 | -73.1 | 173.4 | 0 | 0 | 0 | 110.9 | Q356 H357 I358 L362 T363 T364 W385 I394 | Q356-L360 WeakPolarHBondContact O-CB 3.38Å; Q356-L360 VanDerWaalsContact O-CG 3.28Å; Q356-L360 WeakPolarHBondContact O-CG 3.38Å; Q356-L360 PolarHBondContact O-N 2.96Å; H357-L360 PolarHBondContact O-N 3.47Å; I358-L360 VanDerWaalsContact C-N 3.3Å; I358-L360 PolarHBondContact O-N 2.93Å; L360-L362 PolarHBondContact O-N 2.92Å; L360-T363 PolarHBondContact O-N 3.25Å; L360-T363 VanDerWaalsContact O-N 3.13Å; L360-T364 HydrophobicContact CD2-CG2 4.01Å; L360-T364 WeakPolarHBondContact O-CA 3.44Å; L360-T364 PolarHBondContact O-N 3.19Å; L360-T364 PolarHBondContact O-OG1 3.12Å; L360-W385 VanDerWaalsContact C-CZ3 3.47Å; L360-W385 HydrophobicContact CB-CE3 4.29Å; L360-W385 HydrophobicContact CB-CH2 3.33Å; L360-W385 HydrophobicContact CB-CZ2 3.75Å; L360-W385 HydrophobicContact CB-CZ3 3.64Å; L360-W385 HydrophobicContact CD1-CH2 4.45Å; L360-W385 HydrophobicContact CD1-CZ2 3.99Å; L360-W385 HydrophobicContact CG-CH2 4.5Å; L360-I394 HydrophobicContact CD1-CG2 4.42Å; L360-I394 HydrophobicContact CD2-CD1 3.75Å |
| 361 | L | 86.9 | Confident | 82.5 | Confident | 4 Ų | 4 | 48.8 Ų | 48.8 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -52.8 | -42.3 | 175.8 | -71.7 | 170.3 | 0 | 0 | 0 | 112.3 | H357 I358 H366 V383 W385 I399 L404 A407 | H357-L361 WeakPolarHBondContact O-CG 3.48Å; H357-L361 PolarHBondContact O-N 3.08Å; I358-L361 PolarHBondContact O-N 3.49Å; L361-H366 PolarHBondContact O-CE1 3.02Å; L361-H366 PolarHBondContact O-ND1 3.11Å; L361-V383 HydrophobicContact CD2-CG1 4.31Å; L361-W385 HydrophobicContact CD2-CH2 4Å; L361-W385 HydrophobicContact CD2-CZ3 4.31Å; L361-W385 HydrophobicContact CG-CH2 4.1Å; L361-I399 HydrophobicContact CD1-CD1 4.34Å; L361-I399 HydrophobicContact CD1-CG2 4.14Å; L361-I399 HydrophobicContact CD2-CD1 4.06Å; L361-I399 HydrophobicContact CG-CD1 4.13Å; L361-L404 HydrophobicContact CD1-CD2 3.77Å; L361-L404 HydrophobicContact CD1-CG 4.32Å; L361-L404 HydrophobicContact CD2-CD2 3.72Å; L361-L404 HydrophobicContact CG-CD2 4.42Å; L361-A407 HydrophobicContact CB-CB 3.81Å; L361-A407 HydrophobicContact CD1-CB 3.59Å; L361-A407 HydrophobicContact CG-CB 4.36Å |
| 362 | L | 84.6 | Confident | 84 | Confident | 13 Ų | 13 | 51.2 Ų | 51.2 | 7% | 0.068 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -77.4 | -24.6 | -179.6 | -66.3 | 174.9 | 0 | 0 | 0 | 114.8 | I287 I358 L360 A407 L410 E411 L414 | I287-L362 HydrophobicContact CD1-CB 4.2Å; I287-L362 HydrophobicContact CG1-CD1 4.37Å; I287-L362 HydrophobicContact CG2-CD1 3.75Å; I358-L362 HydrophobicContact CG2-CD1 3.95Å; I358-L362 HydrophobicContact CG2-CG 4.37Å; I358-L362 VanDerWaalsContact O-CG 3.29Å; I358-L362 WeakPolarHBondContact O-CG 3.34Å; I358-L362 PolarHBondContact O-N 3.22Å; L360-L362 PolarHBondContact O-N 2.92Å; L362-A407 WeakPolarHBondContact CD2-O 3.41Å; L362-L410 HydrophobicContact CD1-CB 3.98Å; L362-L410 HydrophobicContact CD1-CD1 3.99Å; L362-L410 HydrophobicContact CD2-CB 4.14Å; L362-E411 HydrophobicContact CD2-CB 4.45Å; L362-E411 HydrophobicContact CD2-CG 3.41Å; L362-E411 VanDerWaalsContact CD2-CG 3.41Å; L362-L414 HydrophobicContact CD2-CD1 4.14Å |
| 363 | T | 82.6 | Confident | 85.2 | Confident | 47 Ų | 47 | 50.5 Ų | 50.5 | 29% | 0.288 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -114.3 | -30.4 | -170.5 | 63.2 | 0 | 0 | 0 | 0 | 114.5 | R16 I287 S359 L360 | R16-T363 PolarHBondContact NE-O 3.37Å; I287-T363 HydrophobicContact CD1-CG2 4.12Å; S359-T363 WeakPolarHBondContact O-CB 3.09Å; S359-T363 VanDerWaalsContact O-CG2 3.29Å; S359-T363 WeakPolarHBondContact O-CG2 3.47Å; S359-T363 PolarHBondContact O-N 2.79Å; S359-T363 VanDerWaalsContact O-N 3.13Å; S359-T363 PolarHBondContact O-OG1 3.27Å; L360-T363 PolarHBondContact O-N 3.25Å; L360-T363 VanDerWaalsContact O-N 3.13Å |
| 364 | T | 83.4 | Confident | 85.9 | Confident | 33 Ų | 33 | 48.7 Ų | 48.7 | 20% | 0.202 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -107.9 | 127.6 | -178.1 | 51.4 | 0 | 0 | 0 | 0 | 111.2 | L360 H366 W385 I394 | L360-T364 HydrophobicContact CD2-CG2 4.01Å; L360-T364 WeakPolarHBondContact O-CA 3.44Å; L360-T364 PolarHBondContact O-N 3.19Å; L360-T364 PolarHBondContact O-OG1 3.12Å; T364-H366 PolarHBondContact O-ND1 3.31Å; T364-H366 VanDerWaalsContact O-ND1 3.08Å; T364-W385 VanDerWaalsContact OG1-CZ3 3.3Å; T364-W385 WeakPolarHBondContact OG1-CZ3 3.43Å; T364-I394 HydrophobicContact CG2-CD1 4.21Å |
| 365 | P | 84.7 | Confident | 86.1 | Confident | 18 Ų | 18 | 54.2 Ų | 54.2 | 12% | 0.117 | 29% | 0.288 | C | S | . | . | trans | -60.9 | 142.6 | 173.8 | -18.6 | 31.5 | 0 | 0 | 0 | 110.8 | R16 L20 I386 | R16-P365 HydrophobicContact CG-CG 4.46Å; L20-P365 HydrophobicContact CD1-CB 3.61Å; L20-P365 HydrophobicContact CD1-CG 3.24Å; P365-I386 HydrophobicContact CB-CB 4.3Å; P365-I386 PolarHBondContact O-N 3.43Å | ||
| 366 | H | 86.5 | Confident | 86.4 | Confident | 7 Ų | 7 | 57 Ų | 57 | 3% | 0.032 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 160.6 | -170 | 57.9 | -96.8 | 0 | 0 | 0 | 112.6 | T17 L361 T364 V383 R384 W385 | T17-H366 VanDerWaalsContact CG2-O 3.24Å; T17-H366 WeakPolarHBondContact CG2-O 3.33Å; T17-H366 PolarHBondContact OG1-N 2.94Å; T17-H366 PolarHBondContact OG1-O 2.68Å; L361-H366 PolarHBondContact O-CE1 3.02Å; L361-H366 PolarHBondContact O-ND1 3.11Å; T364-H366 PolarHBondContact O-ND1 3.31Å; T364-H366 VanDerWaalsContact O-ND1 3.08Å; H366-V383 HydrophobicContact CB-CG1 3.64Å; H366-R384 CarbonylContact C-O 3.57Å; H366-R384 VanDerWaalsContact CA-O 3.27Å; H366-R384 WeakPolarHBondContact CA-O 3.25Å; H366-W385 HydrophobicContact CB-CD2 4.49Å; H366-W385 HydrophobicContact CB-CE3 3.63Å; H366-W385 HydrophobicContact CB-CZ3 3.81Å; H366-W385 AromaticContact ND1-CZ3 3.99Å |
| 367 | T | 87 | Confident | 86.3 | Confident | 47 Ų | 47 | 59.8 Ų | 59.8 | 29% | 0.288 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 143.1 | 174.8 | 46.4 | 0 | 0 | 0 | 0 | 111.5 | R384 I386 | T367-R384 PolarHBondContact N-O 3.46Å; T367-R384 PolarHBondContact O-N 3.3Å; T367-I386 HydrophobicContact CG2-CD1 3.84Å |
| 368 | F | 89 | Confident | 86.3 | Confident | 29 Ų | 29 | 62.1 Ų | 62.1 | 13% | 0.127 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 126.9 | 172.3 | -57.6 | -69.1 | 0 | 0 | 0 | 110.2 | P11 L13 F381 V383 L404 | P11-F368 HydrophobicContact CB-CD2 4.3Å; P11-F368 HydrophobicContact CB-CE1 4.25Å; P11-F368 HydrophobicContact CB-CE2 3.73Å; P11-F368 HydrophobicContact CB-CZ 3.72Å; P11-F368 HydrophobicContact CG-CD1 4.35Å; P11-F368 HydrophobicContact CG-CD2 4.39Å; P11-F368 HydrophobicContact CG-CE1 4.18Å; P11-F368 HydrophobicContact CG-CE2 4.23Å; P11-F368 HydrophobicContact CG-CG 4.47Å; P11-F368 HydrophobicContact CG-CZ 4.15Å; P11-F368 VanDerWaalsContact O-CE2 3.27Å; P11-F368 WeakPolarHBondContact O-CE2 3.42Å; L13-F368 HydrophobicContact CD2-CD2 3.81Å; L13-F368 HydrophobicContact CD2-CE2 3.77Å; F368-F381 HydrophobicContact CD1-CB 4.14Å; F368-V383 HydrophobicContact CD1-CG2 3.88Å; F368-V383 HydrophobicContact CE1-CG2 3.78Å; F368-L404 HydrophobicContact CE1-CD1 4.07Å; F368-L404 HydrophobicContact CE1-CD2 3.64Å; F368-L404 HydrophobicContact CZ-CD2 3.8Å |
| 369 | V | 88.4 | Confident | 86.4 | Confident | 86 Ų | 86 | 62.8 Ų | 62.8 | 52% | 0.521 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | -34.8 | -177.7 | -179.9 | 0 | 0 | 0 | 0 | 112 | L382 R384 | V369-L382 HydrophobicContact CB-CB 4.4Å; V369-L382 HydrophobicContact CB-CD2 4.1Å; V369-L382 HydrophobicContact CB-CG 4.15Å; V369-L382 HydrophobicContact CG1-CD2 4.05Å; V369-L382 PolarHBondContact N-O 3.03Å; V369-R384 HydrophobicContact CG2-CB 3.46Å; V369-R384 VanDerWaalsContact CG2-CB 3.46Å; V369-R384 HydrophobicContact CG2-CG 4.48Å |
| 370 | G | 88.1 | Confident | 86.7 | Confident | 30 Ų | 30 | 61.6 Ų | 61.6 | 31% | 0.309 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.3 | 176 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | F381 L382 | G370-F381 WeakPolarHBondContact O-CA 3.45Å; G370-L382 PolarHBondContact O-N 3.17Å |
| 371 | Q | 92.8 | Very high | 86.8 | Confident | 114 Ų | 114 | 60.3 Ų | 60.3 | 53% | 0.533 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 143.2 | -178.6 | -175.4 | -179.4 | 2.6 | 0 | 0 | 108.1 | C379 E380 F381 | Q371-C379 PolarHBondContact NE2-SG 3.39Å; Q371-E380 CarbonylContact C-O 3.57Å; Q371-E380 WeakPolarHBondContact CA-O 3.33Å; Q371-F381 HydrophobicContact CB-CD1 3.96Å; Q371-F381 HydrophobicContact CB-CE1 4.02Å; Q371-F381 VanDerWaalsContact CD-CE1 3.47Å; Q371-F381 HydrophobicContact CG-CD1 3.91Å; Q371-F381 HydrophobicContact CG-CE1 3.63Å; Q371-F381 HydrophobicContact CG-CZ 4.11Å |
| 372 | R | 88.2 | Confident | 87.1 | Confident | 113 Ų | 113 | 61.7 Ų | 61.7 | 43% | 0.426 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 161.1 | 171.4 | 72.5 | -175.7 | 179.4 | 173.2 | 3.1 | 110.3 | E380 W398 | R372-E380 HydrophobicContact CG-CB 3.95Å; R372-E380 IonicContact CZ-OE2 3.54Å; R372-E380 PolarHBondContact N-O 2.91Å; R372-E380 IonicContact NE-OE2 3.53Å; R372-E380 PolarHBondContact NE-OE2 3.38Å; R372-E380 IonicContact NH2-OE2 2.76Å; R372-E380 PolarHBondContact NH2-OE2 3.34Å; R372-E380 PolarHBondContact O-N 2.84Å; R372-W398 HydrophobicContact CB-CH2 4Å; R372-W398 HydrophobicContact CB-CZ3 3.95Å; R372-W398 HydrophobicContact CG-CD2 4.44Å; R372-W398 HydrophobicContact CG-CE3 3.82Å; R372-W398 HydrophobicContact CG-CH2 3.83Å; R372-W398 HydrophobicContact CG-CZ2 4.45Å; R372-W398 HydrophobicContact CG-CZ3 3.48Å; R372-W398 VanDerWaalsContact CG-CZ3 3.48Å |
| 373 | I | 89.4 | Confident | 87.3 | Confident | 129 Ų | 129 | 61 Ų | 61 | 66% | 0.662 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 128.3 | 167.3 | -59.4 | 172.7 | 0 | 0 | 0 | 106.4 | ||
| 374 | S | 85.8 | Confident | 87.7 | Confident | 27 Ų | 27 | 66.1 Ų | 66.1 | 19% | 0.189 | 33% | 0.33 | C | S | . | . | trans | -71.9 | 167.6 | 177 | -150.6 | 0 | 0 | 0 | 0 | 111.2 | D376 H377 R378 E380 | S374-D376 PolarHBondContact O-N 2.96Å; S374-H377 PolarHBondContact O-N 2.89Å; S374-R378 WeakPolarHBondContact CB-O 3.4Å; S374-R378 PolarHBondContact N-O 2.74Å; S374-E380 WeakPolarHBondContact CB-OE1 3.28Å; S374-E380 PolarHBondContact OG-OE1 3.06Å | ||
| 375 | L | 83.4 | Confident | 87.9 | Confident | 167 Ų | 167 | 65.3 Ų | 65.3 | 87% | 0.874 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -30.1 | 175.5 | -65.7 | 174.7 | 0 | 0 | 0 | 111.8 | H377 | L375-H377 PolarHBondContact O-N 2.97Š|
| 376 | D | 85.4 | Confident | 87.7 | Confident | 104 Ų | 104 | 68.4 Ų | 68.4 | 56% | 0.556 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | 14.3 | 175.8 | -50.6 | -27.7 | 0 | 0 | 0 | 113.8 | S374 R378 | S374-D376 PolarHBondContact O-N 2.96Å; D376-R378 HydrophobicContact CB-CG 4.38Å; D376-R378 PolarHBondContact O-N 2.83Å; D376-R378 IonicContact OD2-CZ 2.61Å; D376-R378 IonicContact OD2-NE 3.95Å; D376-R378 IonicContact OD2-NH2 2.71Å; D376-R378 PolarHBondContact OD2-NH2 3.3Å |
| 377 | H | 83 | Confident | 86.9 | Confident | 168 Ų | 168 | 70.8 Ų | 70.8 | 78% | 0.778 | 36% | 0.355 | S | S | * | . | S | Bend | trans | 59.8 | 8.7 | -172.7 | -54.9 | -64.5 | 0 | 0 | 0 | 116.3 | S374 L375 | S374-H377 PolarHBondContact O-N 2.89Å; L375-H377 PolarHBondContact O-N 2.97Å |
| 378 | R | 86.2 | Confident | 85.6 | Confident | 88 Ų | 88 | 71.7 Ų | 71.7 | 33% | 0.332 | 37% | 0.374 | S | S | . | . | trans | -79.5 | 146.3 | 175.4 | -66.2 | -177 | -70.8 | 141.5 | -1.7 | 111.8 | S374 D376 F400 E402 | S374-R378 WeakPolarHBondContact CB-O 3.4Å; S374-R378 PolarHBondContact N-O 2.74Å; D376-R378 HydrophobicContact CB-CG 4.38Å; D376-R378 PolarHBondContact O-N 2.83Å; D376-R378 IonicContact OD2-CZ 2.61Å; D376-R378 IonicContact OD2-NE 3.95Å; D376-R378 IonicContact OD2-NH2 2.71Å; D376-R378 PolarHBondContact OD2-NH2 3.3Å; R378-F400 HydrophobicContact CB-CD1 4.09Å; R378-F400 HydrophobicContact CB-CE1 4.01Å; R378-F400 VanDerWaalsContact CZ-CE1 3.46Å; R378-F400 VanDerWaalsContact NH1-CE1 3.3Å; R378-E402 WeakPolarHBondContact CD-OE1 3.45Å | ||
| 379 | C | 87.4 | Confident | 83.7 | Confident | 19 Ų | 19 | 76.5 Ų | 76.5 | 13% | 0.128 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 133 | 178.1 | -174.4 | 0 | 0 | 0 | 0 | 111.5 | Q371 F381 E401 | Q371-C379 PolarHBondContact NE2-SG 3.39Å; C379-F381 VanDerWaalsContact SG-CE2 3.55Å; C379-E401 HydrophobicContact CB-CB 4.13Å; C379-E401 VanDerWaalsContact CB-OE2 3.25Å; C379-E401 WeakPolarHBondContact CB-OE2 3.45Å; C379-E401 PolarHBondContact O-N 2.82Å |
| 380 | E | 90.5 | Very high | 81.7 | Confident | 11 Ų | 11 | 74.5 Ų | 74.5 | 5% | 0.051 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 137.8 | 175.7 | -67.3 | 175.8 | -152.1 | 0 | 0 | 110.6 | Q371 R372 S374 W398 I399 F400 | Q371-E380 CarbonylContact C-O 3.57Å; Q371-E380 WeakPolarHBondContact CA-O 3.33Å; R372-E380 HydrophobicContact CG-CB 3.95Å; R372-E380 IonicContact CZ-OE2 3.54Å; R372-E380 PolarHBondContact N-O 2.91Å; R372-E380 IonicContact NE-OE2 3.53Å; R372-E380 PolarHBondContact NE-OE2 3.38Å; R372-E380 IonicContact NH2-OE2 2.76Å; R372-E380 PolarHBondContact NH2-OE2 3.34Å; R372-E380 PolarHBondContact O-N 2.84Å; S374-E380 WeakPolarHBondContact CB-OE1 3.28Å; S374-E380 PolarHBondContact OG-OE1 3.06Å; E380-W398 HydrophobicContact CB-CE3 3.97Å; E380-I399 CarbonylContact C-O 3.58Å; E380-I399 WeakPolarHBondContact CA-O 3.48Å; E380-F400 HydrophobicContact CG-CD1 3.54Å; E380-F400 HydrophobicContact CG-CE1 3.41Å; E380-F400 VanDerWaalsContact CG-CE1 3.41Å; E380-F400 HydrophobicContact CG-CG 4.23Å; E380-F400 HydrophobicContact CG-CZ 4.04Å; E380-F400 VanDerWaalsContact OE1-CE1 3.31Å; E380-F400 WeakPolarHBondContact OE1-CE1 3.35Å; E380-F400 WeakPolarHBondContact OE1-CZ 3.26Å |
| 381 | F | 90.2 | Very high | 79.7 | Confident | 12 Ų | 12 | 83.1 Ų | 83.1 | 5% | 0.053 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 136.5 | 175.8 | -65.6 | -89.9 | 0 | 0 | 0 | 110.9 | P11 F368 G370 Q371 C379 V383 W398 I399 E401 L404 | P11-F381 HydrophobicContact CG-CD1 3.9Å; P11-F381 HydrophobicContact CG-CD2 4.33Å; P11-F381 HydrophobicContact CG-CE1 3.64Å; P11-F381 HydrophobicContact CG-CE2 4.08Å; P11-F381 HydrophobicContact CG-CG 4.23Å; P11-F381 HydrophobicContact CG-CZ 3.74Å; F368-F381 HydrophobicContact CD1-CB 4.14Å; G370-F381 WeakPolarHBondContact O-CA 3.45Å; Q371-F381 HydrophobicContact CB-CD1 3.96Å; Q371-F381 HydrophobicContact CB-CE1 4.02Å; Q371-F381 VanDerWaalsContact CD-CE1 3.47Å; Q371-F381 HydrophobicContact CG-CD1 3.91Å; Q371-F381 HydrophobicContact CG-CE1 3.63Å; Q371-F381 HydrophobicContact CG-CZ 4.11Å; C379-F381 VanDerWaalsContact SG-CE2 3.55Å; F381-V383 PolarHBondContact O-N 3.21Å; F381-W398 WeakPolarHBondContact O-CA 3.38Å; F381-I399 PolarHBondContact N-O 3.2Å; F381-I399 PolarHBondContact O-N 3.04Å; F381-E401 HydrophobicContact CE2-CB 4.06Å; F381-E401 HydrophobicContact CE2-CG 4.12Å; F381-L404 HydrophobicContact CB-CD1 3.94Å; F381-L404 HydrophobicContact CD2-CD1 3.43Å; F381-L404 VanDerWaalsContact CD2-CD1 3.43Å; F381-L404 HydrophobicContact CE2-CD1 4.21Å; F381-L404 HydrophobicContact CG-CD1 3.93Å |
| 382 | L | 92 | Very high | 77.9 | Confident | 33 Ų | 33 | 81.4 Ų | 81.4 | 17% | 0.173 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 111.5 | 173.4 | -177.4 | 60.2 | 0 | 0 | 0 | 109.3 | V369 G370 P396 W398 | V369-L382 HydrophobicContact CB-CB 4.4Å; V369-L382 HydrophobicContact CB-CD2 4.1Å; V369-L382 HydrophobicContact CB-CG 4.15Å; V369-L382 HydrophobicContact CG1-CD2 4.05Å; V369-L382 PolarHBondContact N-O 3.03Å; G370-L382 PolarHBondContact O-N 3.17Å; L382-P396 HydrophobicContact CD1-CB 3.83Å; L382-P396 HydrophobicContact CG-CB 4.39Å; L382-W398 HydrophobicContact CB-CD2 4.07Å; L382-W398 HydrophobicContact CB-CE3 3.85Å; L382-W398 HydrophobicContact CB-CH2 3.76Å; L382-W398 HydrophobicContact CB-CZ2 3.97Å; L382-W398 HydrophobicContact CB-CZ3 3.68Å; L382-W398 HydrophobicContact CD1-CD2 4.12Å; L382-W398 HydrophobicContact CD1-CG 4.3Å; L382-W398 HydrophobicContact CD1-CZ2 4.41Å; L382-W398 HydrophobicContact CD2-CZ2 4.21Å; L382-W398 HydrophobicContact CG-CZ2 4.43Å |
| 383 | V | 90.1 | Very high | 77 | Confident | 0 Ų | 0 | 82.4 Ų | 82.4 | 0% | 0 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 121.8 | -177.5 | -178.7 | 0 | 0 | 0 | 0 | 109.8 | L361 H366 F368 F381 W385 P396 T397 I399 | L361-V383 HydrophobicContact CD2-CG1 4.31Å; H366-V383 HydrophobicContact CB-CG1 3.64Å; F368-V383 HydrophobicContact CD1-CG2 3.88Å; F368-V383 HydrophobicContact CE1-CG2 3.78Å; F381-V383 PolarHBondContact O-N 3.21Å; V383-W385 HydrophobicContact CG1-CD2 4.41Å; V383-W385 HydrophobicContact CG1-CE3 4.34Å; V383-W385 HydrophobicContact CG1-CH2 3.95Å; V383-W385 HydrophobicContact CG1-CZ2 4.06Å; V383-W385 HydrophobicContact CG1-CZ3 4.09Å; V383-P396 CarbonylContact O-C 3.46Å; V383-P396 VanDerWaalsContact O-CA 3.3Å; V383-P396 WeakPolarHBondContact O-CA 3.47Å; V383-T397 PolarHBondContact N-O 3.34Å; V383-T397 PolarHBondContact O-N 2.92Å; V383-I399 HydrophobicContact CB-CD1 3.96Å; V383-I399 HydrophobicContact CB-CG1 4.4Å; V383-I399 HydrophobicContact CG1-CD1 4.36Å; V383-I399 HydrophobicContact CG2-CB 4.14Å; V383-I399 HydrophobicContact CG2-CD1 3.88Å; V383-I399 HydrophobicContact CG2-CG1 4.14Å |
| 384 | R | 89.3 | Confident | 76.5 | Confident | 154 Ų | 154 | 78.5 Ų | 78.5 | 58% | 0.581 | 44% | 0.439 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 124.5 | 174.2 | 175.9 | 177.3 | -179.1 | 168 | 2.2 | 110.1 | H366 T367 V369 | H366-R384 CarbonylContact C-O 3.57Å; H366-R384 VanDerWaalsContact CA-O 3.27Å; H366-R384 WeakPolarHBondContact CA-O 3.25Å; T367-R384 PolarHBondContact N-O 3.46Å; T367-R384 PolarHBondContact O-N 3.3Å; V369-R384 HydrophobicContact CG2-CB 3.46Å; V369-R384 VanDerWaalsContact CG2-CB 3.46Å; V369-R384 HydrophobicContact CG2-CG 4.48Å |
| 385 | W | 87.5 | Confident | 76.5 | Confident | 15 Ų | 15 | 81.3 Ų | 81.3 | 6% | 0.057 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 132.1 | -179.9 | -49.6 | 100.4 | 0 | 0 | 0 | 111.5 | L360 L361 T364 H366 V383 S387 I394 P395 T397 I399 | L360-W385 VanDerWaalsContact C-CZ3 3.47Å; L360-W385 HydrophobicContact CB-CE3 4.29Å; L360-W385 HydrophobicContact CB-CH2 3.33Å; L360-W385 HydrophobicContact CB-CZ2 3.75Å; L360-W385 HydrophobicContact CB-CZ3 3.64Å; L360-W385 HydrophobicContact CD1-CH2 4.45Å; L360-W385 HydrophobicContact CD1-CZ2 3.99Å; L360-W385 HydrophobicContact CG-CH2 4.5Å; L361-W385 HydrophobicContact CD2-CH2 4Å; L361-W385 HydrophobicContact CD2-CZ3 4.31Å; L361-W385 HydrophobicContact CG-CH2 4.1Å; T364-W385 VanDerWaalsContact OG1-CZ3 3.3Å; T364-W385 WeakPolarHBondContact OG1-CZ3 3.43Å; H366-W385 HydrophobicContact CB-CD2 4.49Å; H366-W385 HydrophobicContact CB-CE3 3.63Å; H366-W385 HydrophobicContact CB-CZ3 3.81Å; H366-W385 AromaticContact ND1-CZ3 3.99Å; V383-W385 HydrophobicContact CG1-CD2 4.41Å; V383-W385 HydrophobicContact CG1-CE3 4.34Å; V383-W385 HydrophobicContact CG1-CH2 3.95Å; V383-W385 HydrophobicContact CG1-CZ2 4.06Å; V383-W385 HydrophobicContact CG1-CZ3 4.09Å; W385-S387 PolarHBondContact O-N 3.21Å; W385-I394 HydrophobicContact CB-CB 4.05Å; W385-I394 HydrophobicContact CB-CD1 4.5Å; W385-I394 HydrophobicContact CG-CB 3.9Å; W385-I394 HydrophobicContact CG-CD1 4.44Å; W385-I394 HydrophobicContact CG-CG2 3.91Å; W385-P395 PolarHBondContact NE1-O 3.06Å; W385-T397 WeakPolarHBondContact CZ2-OG1 3.48Å; W385-T397 PolarHBondContact NE1-OG1 3.38Å; W385-I399 HydrophobicContact CH2-CD1 3.88Å; W385-I399 HydrophobicContact CZ2-CD1 3.76Å |
| 386 | I | 82.1 | Confident | 76.6 | Confident | 84 Ų | 84 | 77 Ų | 77 | 43% | 0.431 | 44% | 0.439 | S | S | . | . | trans | -94 | 83.5 | 173.4 | -54.8 | 171.9 | 0 | 0 | 0 | 107.6 | P365 T367 | P365-I386 HydrophobicContact CB-CB 4.3Å; P365-I386 PolarHBondContact O-N 3.43Å; T367-I386 HydrophobicContact CG2-CD1 3.84Å | ||
| 387 | S | 69.9 | Low | 76.8 | Confident | 56 Ų | 56 | 73.5 Ų | 73.5 | 39% | 0.392 | 42% | 0.421 | S | S | . | . | trans | -73.5 | 126.7 | 170.7 | -168.2 | 0 | 0 | 0 | 0 | 110 | W385 S389 S392 | W385-S387 PolarHBondContact O-N 3.21Å; S387-S389 PolarHBondContact O-N 3.4Å; S387-S392 PolarHBondContact OG-O 2.69Å; S387-S392 VanDerWaalsContact OG-O 3.14Å | ||
| 388 | G | 58 | Low | 77.1 | Confident | 66 Ų | 66 | 69.7 Ų | 69.7 | 68% | 0.68 | 40% | 0.4 | S | S | * | . | trans | -80.8 | 96.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | G390 | G388-G390 PolarHBondContact O-N 3.06Š| ||
| 389 | S | 48.9 | Very low | 77.3 | Confident | 130 Ų | 130 | 65.5 Ų | 65.5 | 91% | 0.909 | 38% | 0.384 | S | S | * | . | S | Bend | trans | 33.4 | 72.4 | 165.4 | 62.8 | 0 | 0 | 0 | 0 | 115.5 | S387 | S387-S389 PolarHBondContact O-N 3.4Š|
| 390 | G | 47.5 | Very low | 77.3 | Confident | 44 Ų | 44 | 66.4 Ų | 66.4 | 45% | 0.454 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -179.8 | 96.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | G388 S392 | G388-G390 PolarHBondContact O-N 3.06Å; G390-S392 PolarHBondContact O-N 3.03Å |
| 391 | H | 46.2 | Very low | 77.1 | Confident | 211 Ų | 211 | 69.8 Ų | 69.8 | 98% | 0.977 | 40% | 0.402 | S | S | * | . | S | Bend | trans | 38.6 | 2 | 157.7 | -67.5 | -76 | 0 | 0 | 0 | 123.5 | ||
| 392 | S | 55.3 | Low | 76.9 | Confident | 79 Ų | 79 | 73.6 Ų | 73.6 | 55% | 0.552 | 42% | 0.42 | S | S | * | . | trans | -132.1 | 103.3 | 164 | 55.2 | 0 | 0 | 0 | 0 | 110.5 | S387 G390 | S387-S392 PolarHBondContact OG-O 2.69Å; S387-S392 VanDerWaalsContact OG-O 3.14Å; G390-S392 PolarHBondContact O-N 3.03Å | ||
| 393 | V | 68.9 | Low | 76.7 | Confident | 134 Ų | 134 | 72.9 Ų | 72.9 | 81% | 0.812 | 42% | 0.415 | S | S | * | . | trans | -88.8 | 104.7 | 171.3 | -178.2 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 394 | I | 79 | Confident | 76.4 | Confident | 47 Ų | 47 | 73.6 Ų | 73.6 | 24% | 0.241 | 42% | 0.419 | C | S | . | . | P | Polyproline II helix | trans | -67.5 | 125.6 | 173 | -50.1 | 175.6 | 0 | 0 | 0 | 107.1 | L360 T364 W385 | L360-I394 HydrophobicContact CD1-CG2 4.42Å; L360-I394 HydrophobicContact CD2-CD1 3.75Å; T364-I394 HydrophobicContact CG2-CD1 4.21Å; W385-I394 HydrophobicContact CB-CB 4.05Å; W385-I394 HydrophobicContact CB-CD1 4.5Å; W385-I394 HydrophobicContact CG-CB 3.9Å; W385-I394 HydrophobicContact CG-CD1 4.44Å; W385-I394 HydrophobicContact CG-CG2 3.91Å |
| 395 | P | 84.6 | Confident | 76.2 | Confident | 86 Ų | 86 | 71 Ų | 71 | 56% | 0.558 | 42% | 0.417 | S | S | * | . | P | Polyproline II helix | trans | -63.2 | 152.8 | -179.3 | 27.3 | -35.3 | 0 | 0 | 0 | 110.8 | W385 T397 | W385-P395 PolarHBondContact NE1-O 3.06Å; P395-T397 PolarHBondContact O-N 3.12Å |
| 396 | P | 86.7 | Confident | 76 | Confident | 76 Ų | 76 | 73.2 Ų | 73.2 | 49% | 0.494 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -57.5 | 129.7 | 168.9 | -22.4 | 34.2 | 0 | 0 | 0 | 110.7 | L382 V383 | L382-P396 HydrophobicContact CD1-CB 3.83Å; L382-P396 HydrophobicContact CG-CB 4.39Å; V383-P396 CarbonylContact O-C 3.46Å; V383-P396 VanDerWaalsContact O-CA 3.3Å; V383-P396 WeakPolarHBondContact O-CA 3.47Å |
| 397 | T | 89.6 | Confident | 76 | Confident | 30 Ų | 30 | 69.5 Ų | 69.5 | 18% | 0.184 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 138.8 | -174.9 | 44.8 | 0 | 0 | 0 | 0 | 110.7 | V383 W385 P395 | V383-T397 PolarHBondContact N-O 3.34Å; V383-T397 PolarHBondContact O-N 2.92Å; W385-T397 WeakPolarHBondContact CZ2-OG1 3.48Å; W385-T397 PolarHBondContact NE1-OG1 3.38Å; P395-T397 PolarHBondContact O-N 3.12Å |
| 398 | W | 90 | Very high | 76.5 | Confident | 88 Ų | 88 | 69.2 Ų | 69.2 | 33% | 0.333 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 129.7 | 166.5 | -69.8 | 100.6 | 0 | 0 | 0 | 109.3 | R372 E380 F381 L382 | R372-W398 HydrophobicContact CB-CH2 4Å; R372-W398 HydrophobicContact CB-CZ3 3.95Å; R372-W398 HydrophobicContact CG-CD2 4.44Å; R372-W398 HydrophobicContact CG-CE3 3.82Å; R372-W398 HydrophobicContact CG-CH2 3.83Å; R372-W398 HydrophobicContact CG-CZ2 4.45Å; R372-W398 HydrophobicContact CG-CZ3 3.48Å; R372-W398 VanDerWaalsContact CG-CZ3 3.48Å; E380-W398 HydrophobicContact CB-CE3 3.97Å; F381-W398 WeakPolarHBondContact O-CA 3.38Å; L382-W398 HydrophobicContact CB-CD2 4.07Å; L382-W398 HydrophobicContact CB-CE3 3.85Å; L382-W398 HydrophobicContact CB-CH2 3.76Å; L382-W398 HydrophobicContact CB-CZ2 3.97Å; L382-W398 HydrophobicContact CB-CZ3 3.68Å; L382-W398 HydrophobicContact CD1-CD2 4.12Å; L382-W398 HydrophobicContact CD1-CG 4.3Å; L382-W398 HydrophobicContact CD1-CZ2 4.41Å; L382-W398 HydrophobicContact CD2-CZ2 4.21Å; L382-W398 HydrophobicContact CG-CZ2 4.43Å |
| 399 | I | 88.7 | Confident | 77.4 | Confident | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 132.1 | -176.3 | -64.7 | -171.2 | 0 | 0 | 0 | 108.2 | H357 L361 E380 F381 V383 W385 E403 L404 | H357-I399 HydrophobicContact CB-CD1 4.28Å; L361-I399 HydrophobicContact CD1-CD1 4.34Å; L361-I399 HydrophobicContact CD1-CG2 4.14Å; L361-I399 HydrophobicContact CD2-CD1 4.06Å; L361-I399 HydrophobicContact CG-CD1 4.13Å; E380-I399 CarbonylContact C-O 3.58Å; E380-I399 WeakPolarHBondContact CA-O 3.48Å; F381-I399 PolarHBondContact N-O 3.2Å; F381-I399 PolarHBondContact O-N 3.04Å; V383-I399 HydrophobicContact CB-CD1 3.96Å; V383-I399 HydrophobicContact CB-CG1 4.4Å; V383-I399 HydrophobicContact CG1-CD1 4.36Å; V383-I399 HydrophobicContact CG2-CB 4.14Å; V383-I399 HydrophobicContact CG2-CD1 3.88Å; V383-I399 HydrophobicContact CG2-CG1 4.14Å; W385-I399 HydrophobicContact CH2-CD1 3.88Å; W385-I399 HydrophobicContact CZ2-CD1 3.76Å; I399-E403 HydrophobicContact CG2-CB 3.87Å; I399-E403 WeakPolarHBondContact CG2-OE2 3.37Å; I399-L404 HydrophobicContact CG2-CD1 4.36Å; I399-L404 HydrophobicContact CG2-CD2 4.43Å; I399-L404 HydrophobicContact CG2-CG 3.9Å |
| 400 | F | 88.8 | Confident | 78.8 | Confident | 39 Ų | 39 | 66 Ų | 66 | 17% | 0.171 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 148.3 | 178.5 | -77.9 | -72.1 | 0 | 0 | 0 | 112.1 | R378 E380 E402 E403 L404 | R378-F400 HydrophobicContact CB-CD1 4.09Å; R378-F400 HydrophobicContact CB-CE1 4.01Å; R378-F400 VanDerWaalsContact CZ-CE1 3.46Å; R378-F400 VanDerWaalsContact NH1-CE1 3.3Å; E380-F400 HydrophobicContact CG-CD1 3.54Å; E380-F400 HydrophobicContact CG-CE1 3.41Å; E380-F400 VanDerWaalsContact CG-CE1 3.41Å; E380-F400 HydrophobicContact CG-CG 4.23Å; E380-F400 HydrophobicContact CG-CZ 4.04Å; E380-F400 VanDerWaalsContact OE1-CE1 3.31Å; E380-F400 WeakPolarHBondContact OE1-CE1 3.35Å; E380-F400 WeakPolarHBondContact OE1-CZ 3.26Å; F400-E402 WeakPolarHBondContact CB-OE2 3.34Å; F400-E402 PolarHBondContact O-N 3.01Å; F400-E403 HydrophobicContact CB-CG 4.14Å; F400-E403 WeakPolarHBondContact O-CB 3.35Å; F400-E403 PolarHBondContact O-N 2.8Å; F400-E403 VanDerWaalsContact O-N 3.11Å; F400-L404 PolarHBondContact O-N 3.05Å |
| 401 | E | 86.5 | Confident | 80.1 | Confident | 82 Ų | 82 | 65.8 Ų | 65.8 | 38% | 0.383 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -59.9 | -34.4 | 177.2 | -174.5 | 167.4 | -169.8 | 0 | 0 | 112.3 | C379 F381 E403 L404 N405 | C379-E401 HydrophobicContact CB-CB 4.13Å; C379-E401 VanDerWaalsContact CB-OE2 3.25Å; C379-E401 WeakPolarHBondContact CB-OE2 3.45Å; C379-E401 PolarHBondContact O-N 2.82Å; F381-E401 HydrophobicContact CE2-CB 4.06Å; F381-E401 HydrophobicContact CE2-CG 4.12Å; E401-E403 VanDerWaalsContact C-N 3.33Å; E401-E403 PolarHBondContact O-N 3.4Å; E401-L404 WeakPolarHBondContact O-CB 3.45Å; E401-L404 PolarHBondContact O-N 3.14Å; E401-N405 PolarHBondContact O-N 2.6Å; E401-N405 PolarHBondContact O-ND2 3.18Å |
| 402 | E | 84.9 | Confident | 81.5 | Confident | 92 Ų | 92 | 60.3 Ų | 60.3 | 43% | 0.43 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61.9 | -39.2 | 175 | -57.3 | 94 | 142.5 | 0 | 0 | 112.1 | R378 F400 N405 V406 | R378-E402 WeakPolarHBondContact CD-OE1 3.45Å; F400-E402 WeakPolarHBondContact CB-OE2 3.34Å; F400-E402 PolarHBondContact O-N 3.01Å; E402-N405 PolarHBondContact O-N 2.67Å; E402-V406 WeakPolarHBondContact O-CG2 3.37Å; E402-V406 PolarHBondContact O-N 3.34Å |
| 403 | E | 87.2 | Confident | 82.4 | Confident | 17 Ų | 17 | 60.2 Ų | 60.2 | 8% | 0.079 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -69.1 | -37.9 | 177.2 | -63.9 | 174.1 | -169.3 | 0 | 0 | 111.5 | I354 H357 I358 I399 F400 E401 V406 A407 | I354-E403 WeakPolarHBondContact CG1-OE1 3.43Å; I354-E403 HydrophobicContact CG2-CG 4.36Å; H357-E403 WeakPolarHBondContact CB-OE2 3.4Å; H357-E403 IonicContact CE1-OE2 3.74Å; H357-E403 IonicContact CG-OE2 2.74Å; H357-E403 IonicContact ND1-OE1 3.13Å; H357-E403 IonicContact ND1-OE2 2.67Å; H357-E403 PolarHBondContact ND1-OE2 3.04Å; I358-E403 HydrophobicContact CG1-CB 4.39Å; I399-E403 HydrophobicContact CG2-CB 3.87Å; I399-E403 WeakPolarHBondContact CG2-OE2 3.37Å; F400-E403 HydrophobicContact CB-CG 4.14Å; F400-E403 WeakPolarHBondContact O-CB 3.35Å; F400-E403 PolarHBondContact O-N 2.8Å; F400-E403 VanDerWaalsContact O-N 3.11Å; E401-E403 VanDerWaalsContact C-N 3.33Å; E401-E403 PolarHBondContact O-N 3.4Å; E403-V406 PolarHBondContact O-N 3.18Å; E403-A407 WeakPolarHBondContact O-CB 3.37Å; E403-A407 PolarHBondContact O-N 3Å |
| 404 | L | 85.6 | Confident | 82.2 | Confident | 16 Ų | 16 | 58.3 Ų | 58.3 | 8% | 0.084 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.8 | -41.6 | 174.2 | -76.1 | 161.6 | 0 | 0 | 0 | 111.9 | L361 F368 F381 I399 F400 E401 A407 A408 | L361-L404 HydrophobicContact CD1-CD2 3.77Å; L361-L404 HydrophobicContact CD1-CG 4.32Å; L361-L404 HydrophobicContact CD2-CD2 3.72Å; L361-L404 HydrophobicContact CG-CD2 4.42Å; F368-L404 HydrophobicContact CE1-CD1 4.07Å; F368-L404 HydrophobicContact CE1-CD2 3.64Å; F368-L404 HydrophobicContact CZ-CD2 3.8Å; F381-L404 HydrophobicContact CB-CD1 3.94Å; F381-L404 HydrophobicContact CD2-CD1 3.43Å; F381-L404 VanDerWaalsContact CD2-CD1 3.43Å; F381-L404 HydrophobicContact CE2-CD1 4.21Å; F381-L404 HydrophobicContact CG-CD1 3.93Å; I399-L404 HydrophobicContact CG2-CD1 4.36Å; I399-L404 HydrophobicContact CG2-CD2 4.43Å; I399-L404 HydrophobicContact CG2-CG 3.9Å; F400-L404 PolarHBondContact O-N 3.05Å; E401-L404 WeakPolarHBondContact O-CB 3.45Å; E401-L404 PolarHBondContact O-N 3.14Å; L404-A407 PolarHBondContact O-N 3.02Å; L404-A408 WeakPolarHBondContact O-CB 3.35Å; L404-A408 PolarHBondContact O-N 3.41Å |
| 405 | N | 83.5 | Confident | 82.4 | Confident | 99 Ų | 99 | 58.9 Ų | 58.9 | 53% | 0.529 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.4 | -39.8 | 176.9 | -73.8 | -30.8 | 0 | 0 | 0 | 111.9 | E401 E402 A408 H409 | E401-N405 PolarHBondContact O-N 2.6Å; E401-N405 PolarHBondContact O-ND2 3.18Å; E402-N405 PolarHBondContact O-N 2.67Å; N405-A408 PolarHBondContact O-N 2.76Å; N405-H409 WeakPolarHBondContact O-CB 3.31Å; N405-H409 PolarHBondContact O-N 2.95Å |
| 406 | V | 83.1 | Confident | 82.2 | Confident | 61 Ų | 61 | 57.4 Ų | 57.4 | 37% | 0.37 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.7 | -42.5 | 172.6 | 174.1 | 0 | 0 | 0 | 0 | 111.4 | I358 E402 E403 H409 L410 | I358-V406 HydrophobicContact CD1-CB 4.22Å; I358-V406 HydrophobicContact CD1-CG1 3.78Å; E402-V406 WeakPolarHBondContact O-CG2 3.37Å; E402-V406 PolarHBondContact O-N 3.34Å; E403-V406 PolarHBondContact O-N 3.18Å; V406-H409 PolarHBondContact O-N 3.17Å; V406-L410 HydrophobicContact CG1-CD1 4.08Å; V406-L410 WeakPolarHBondContact O-CG 3.17Å; V406-L410 PolarHBondContact O-N 3.17Å |
| 407 | A | 83.1 | Confident | 82 | Confident | 6 Ų | 6 | 56.4 Ų | 56.4 | 5% | 0.05 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.7 | -43.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I358 L361 L362 E403 L404 H409 L410 E411 | I358-A407 HydrophobicContact CG2-CB 4.11Å; L361-A407 HydrophobicContact CB-CB 3.81Å; L361-A407 HydrophobicContact CD1-CB 3.59Å; L361-A407 HydrophobicContact CG-CB 4.36Å; L362-A407 WeakPolarHBondContact CD2-O 3.41Å; E403-A407 WeakPolarHBondContact O-CB 3.37Å; E403-A407 PolarHBondContact O-N 3Å; L404-A407 PolarHBondContact O-N 3.02Å; A407-H409 VanDerWaalsContact C-N 3.34Å; A407-H409 PolarHBondContact O-N 3.15Å; A407-L410 PolarHBondContact O-N 2.86Å; A407-E411 PolarHBondContact O-N 3.22Å |
| 408 | A | 79.7 | Confident | 81.5 | Confident | 51 Ų | 51 | 57.9 Ų | 57.9 | 42% | 0.421 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.2 | -38.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L404 N405 E411 S412 | L404-A408 WeakPolarHBondContact O-CB 3.35Å; L404-A408 PolarHBondContact O-N 3.41Å; N405-A408 PolarHBondContact O-N 2.76Å; A408-E411 PolarHBondContact O-N 3.29Å; A408-S412 PolarHBondContact O-N 3.26Å |
| 409 | H | 78.1 | Confident | 81 | Confident | 120 Ų | 120 | 56.1 Ų | 56.1 | 56% | 0.556 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -65.6 | -40.3 | 173.4 | -173.5 | 69.8 | 0 | 0 | 0 | 112.1 | N405 V406 A407 S412 I413 | N405-H409 WeakPolarHBondContact O-CB 3.31Å; N405-H409 PolarHBondContact O-N 2.95Å; V406-H409 PolarHBondContact O-N 3.17Å; A407-H409 VanDerWaalsContact C-N 3.34Å; A407-H409 PolarHBondContact O-N 3.15Å; H409-S412 PolarHBondContact O-N 3.47Å; H409-S412 PolarHBondContact O-OG 3.08Å; H409-I413 WeakPolarHBondContact O-CD1 3.46Å; H409-I413 WeakPolarHBondContact O-CG1 3.46Å |
| 410 | L | 77.2 | Confident | 80.5 | Confident | 9 Ų | 9 | 59.8 Ų | 59.8 | 5% | 0.047 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -68.7 | -34.3 | 175.5 | -70.9 | 171.3 | 0 | 0 | 0 | 112.5 | L290 L291 I358 L362 V406 A407 S412 I413 L414 | L290-L410 HydrophobicContact CB-CD2 4Å; L290-L410 HydrophobicContact CD1-CD2 4.3Å; L291-L410 HydrophobicContact CD2-CD1 3.5Å; L291-L410 VanDerWaalsContact CD2-CD1 3.5Å; L291-L410 HydrophobicContact CG-CD1 4.26Å; I358-L410 HydrophobicContact CG2-CD1 3.9Å; L362-L410 HydrophobicContact CD1-CB 3.98Å; L362-L410 HydrophobicContact CD1-CD1 3.99Å; L362-L410 HydrophobicContact CD2-CB 4.14Å; V406-L410 HydrophobicContact CG1-CD1 4.08Å; V406-L410 WeakPolarHBondContact O-CG 3.17Å; V406-L410 PolarHBondContact O-N 3.17Å; A407-L410 PolarHBondContact O-N 2.86Å; L410-S412 VanDerWaalsContact C-N 3.31Å; L410-S412 PolarHBondContact O-N 3.35Å; L410-I413 PolarHBondContact O-N 3.36Å; L410-L414 WeakPolarHBondContact O-CD1 3.3Å; L410-L414 VanDerWaalsContact O-CG 3.23Å; L410-L414 WeakPolarHBondContact O-CG 3.41Å; L410-L414 PolarHBondContact O-N 3.11Å |
| 411 | E | 76.3 | Confident | 79.9 | Confident | 39 Ų | 39 | 61.3 Ų | 61.3 | 18% | 0.182 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.3 | -35 | 171.6 | -73.2 | -147.8 | 158.4 | 0 | 0 | 113 | S14 V15 L362 A407 A408 I413 L414 | S14-E411 WeakPolarHBondContact CA-OE2 3.44Å; S14-E411 WeakPolarHBondContact CB-OE1 3.11Å; S14-E411 PolarHBondContact OG-OE1 2.71Å; V15-E411 PolarHBondContact N-OE2 3.31Å; L362-E411 HydrophobicContact CD2-CB 4.45Å; L362-E411 HydrophobicContact CD2-CG 3.41Å; L362-E411 VanDerWaalsContact CD2-CG 3.41Å; A407-E411 PolarHBondContact O-N 3.22Å; A408-E411 PolarHBondContact O-N 3.29Å; E411-I413 PolarHBondContact O-N 3.11Å; E411-L414 PolarHBondContact O-N 3.36Å |
| 412 | S | 75.4 | Confident | 79.4 | Confident | 95 Ų | 95 | 59.7 Ų | 59.7 | 66% | 0.664 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -72.1 | -16.5 | 178.8 | 75 | 0 | 0 | 0 | 0 | 113.8 | A408 H409 L410 | A408-S412 PolarHBondContact O-N 3.26Å; H409-S412 PolarHBondContact O-N 3.47Å; H409-S412 PolarHBondContact O-OG 3.08Å; L410-S412 VanDerWaalsContact C-N 3.31Å; L410-S412 PolarHBondContact O-N 3.35Å |
| 413 | I | 73.8 | Confident | 78.9 | Confident | 77 Ų | 77 | 57 Ų | 57 | 40% | 0.395 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -93.9 | -14 | 177.4 | -63.6 | 163 | 0 | 0 | 0 | 112.2 | K286 L290 H409 L410 E411 | K286-I413 PolarHBondContact NZ-O 3.1Å; L290-I413 HydrophobicContact CD1-CG2 4.09Å; H409-I413 WeakPolarHBondContact O-CD1 3.46Å; H409-I413 WeakPolarHBondContact O-CG1 3.46Å; L410-I413 PolarHBondContact O-N 3.36Å; E411-I413 PolarHBondContact O-N 3.11Å |
| 414 | L | 64.3 | Low | 78.2 | Confident | 94 Ų | 94 | 60.6 Ų | 60.6 | 49% | 0.492 | 35% | 0.345 | S | S | . | . | trans | -83.6 | 0 | -167.8 | -84.6 | 168.6 | 0 | 0 | 0 | 115.1 | K286 I287 L362 L410 E411 | K286-L414 HydrophobicContact CD-CD2 3.82Å; K286-L414 HydrophobicContact CG-CD2 4.07Å; K286-L414 PolarHBondContact NZ-O 3.31Å; I287-L414 HydrophobicContact CD1-CD1 4.08Å; I287-L414 HydrophobicContact CG1-CD1 3.78Å; I287-L414 HydrophobicContact CG1-CD2 3.82Å; I287-L414 HydrophobicContact CG1-CG 4.46Å; L362-L414 HydrophobicContact CD2-CD1 4.14Å; L410-L414 WeakPolarHBondContact O-CD1 3.3Å; L410-L414 VanDerWaalsContact O-CG 3.23Å; L410-L414 WeakPolarHBondContact O-CG 3.41Å; L410-L414 PolarHBondContact O-N 3.11Å; E411-L414 PolarHBondContact O-N 3.36Å |
Retrieved 414 of 414 residues in 176 ms
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