| 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 | 41.6 | Very low | 74.1 | Confident | 240 Ų | 240 | 100.2 Ų | 100.2 | 100% | 1.182 | 56% | 0.557 | S | S | * | * | 0 | 133.1 | 0 | -68.1 | 147.6 | 179.7 | 0 | 0 | 105.5 | |||||
| 2 | A | 48.5 | Very low | 74.8 | Confident | 89 Ų | 89 | 92.4 Ų | 92.4 | 74% | 0.736 | 52% | 0.515 | S | S | * | . | trans | -98.8 | 129.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 106 | E4 | A2-E4 PolarHBondContact O-N 2.77Š| ||
| 3 | D | 56.4 | Low | 75.4 | Confident | 157 Ų | 157 | 93.2 Ų | 93.2 | 84% | 0.84 | 51% | 0.51 | S | S | * | . | trans | -74.8 | 108.9 | 171.5 | -56.2 | -63.7 | 0 | 0 | 0 | 106.8 | N5 | D3-N5 PolarHBondContact O-N 3.1Š| ||
| 4 | E | 70.1 | Confident | 75.9 | Confident | 166 Ų | 166 | 94.5 Ų | 94.5 | 78% | 0.776 | 51% | 0.51 | S | S | * | . | trans | -70 | 100.8 | 178.5 | -67.3 | -175.9 | 173.2 | 0 | 0 | 108.1 | A2 T6 | A2-E4 PolarHBondContact O-N 2.77Å; E4-T6 PolarHBondContact O-N 3.42Å; E4-T6 VanDerWaalsContact O-N 3.16Å | ||
| 5 | N | 86.6 | Confident | 76.7 | Confident | 97 Ų | 97 | 95.7 Ų | 95.7 | 52% | 0.519 | 52% | 0.516 | S | S | . | . | trans | -64.8 | 116.7 | -174.1 | -161.3 | 30.7 | 0 | 0 | 0 | 109.6 | D3 E18 | D3-N5 PolarHBondContact O-N 3.1Å; N5-E18 HydrophobicContact CB-CB 4.37Å; N5-E18 PolarHBondContact ND2-OE1 3.17Å; N5-E18 VanDerWaalsContact ND2-OE1 3.1Å; N5-E18 PolarHBondContact ND2-OE2 3.14Å; N5-E18 VanDerWaalsContact O-CB 3.26Å; N5-E18 WeakPolarHBondContact O-CB 3.37Å; N5-E18 PolarHBondContact O-N 2.76Å | ||
| 6 | T | 87.1 | Confident | 77.2 | Confident | 70 Ų | 70 | 90.8 Ų | 90.8 | 43% | 0.429 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 151.3 | 179.9 | 52.7 | 0 | 0 | 0 | 0 | 111.7 | E4 I16 | E4-T6 PolarHBondContact O-N 3.42Å; E4-T6 VanDerWaalsContact O-N 3.16Å; T6-I16 CarbonylContact C-O 3.49Å; T6-I16 VanDerWaalsContact CA-O 3.23Å; T6-I16 WeakPolarHBondContact CA-O 3.27Å |
| 7 | Q | 84.4 | Confident | 77.8 | Confident | 71 Ų | 71 | 88.9 Ų | 88.9 | 33% | 0.332 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 133.8 | 173.4 | -64 | -168.8 | 10.4 | 0 | 0 | 109.6 | I16 E18 F21 | Q7-I16 PolarHBondContact N-O 2.84Å; Q7-I16 PolarHBondContact O-N 3.29Å; Q7-E18 HydrophobicContact CG-CB 4.31Å; Q7-E18 HydrophobicContact CG-CG 4.46Å; Q7-E18 PolarHBondContact NE2-OE1 2.77Å; Q7-F21 HydrophobicContact CB-CB 4.35Å; Q7-F21 HydrophobicContact CB-CD2 3.48Å; Q7-F21 VanDerWaalsContact CB-CD2 3.48Å; Q7-F21 HydrophobicContact CB-CE2 3.81Å; Q7-F21 HydrophobicContact CB-CG 3.86Å; Q7-F21 HydrophobicContact CB-CZ 4.46Å |
| 8 | F | 87.4 | Confident | 78.3 | Confident | 117 Ų | 117 | 88.8 Ų | 88.8 | 51% | 0.513 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 122.5 | -179.4 | 177.5 | -98.5 | 0 | 0 | 0 | 111.5 | G10 K13 D15 | F8-G10 PolarHBondContact O-N 2.68Å; F8-K13 VanDerWaalsContact CE2-C 3.49Å; F8-K13 HydrophobicContact CE2-CB 4.26Å; F8-K13 WeakPolarHBondContact CE2-O 3.23Å; F8-K13 HydrophobicContact CZ-CB 3.99Å; F8-K13 HydrophobicContact CZ-CG 4.44Å; F8-D15 WeakPolarHBondContact CB-OD1 3.31Å; F8-D15 WeakPolarHBondContact CD2-OD1 3.4Å |
| 9 | C | 86.8 | Confident | 78.6 | Confident | 6 Ų | 6 | 89.1 Ų | 89.1 | 4% | 0.041 | 49% | 0.494 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 107.3 | 175.9 | 178.3 | 0 | 0 | 0 | 0 | 110.8 | N11 C12 K13 H14 I16 F21 | C9-N11 PolarHBondContact O-N 3.48Å; C9-C12 WeakPolarHBondContact CB-SG 3.31Å; C9-K13 VanDerWaalsContact O-CA 3.27Å; C9-K13 WeakPolarHBondContact O-CA 3.26Å; C9-K13 PolarHBondContact O-N 3.16Å; C9-H14 PolarHBondContact N-O 2.7Å; C9-I16 HydrophobicContact CB-CD1 3.56Å; C9-I16 HydrophobicContact CB-CG1 4.36Å; C9-F21 HydrophobicContact CB-CE2 4.03Å |
| 10 | G | 82.5 | Confident | 78.9 | Confident | 58 Ų | 58 | 89.1 Ų | 89.1 | 60% | 0.598 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -3.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | F8 | F8-G10 PolarHBondContact O-N 2.68Š|
| 11 | N | 83.7 | Confident | 79.3 | Confident | 31 Ų | 31 | 86.2 Ų | 86.2 | 17% | 0.166 | 48% | 0.476 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | -55.3 | 176.4 | -166.6 | 48.9 | 0 | 0 | 0 | 111.7 | C9 C28 I32 L34 | C9-N11 PolarHBondContact O-N 3.48Å; N11-C28 PolarHBondContact ND2-O 2.96Å; N11-C28 PolarHBondContact ND2-SG 3.24Å; N11-I32 PolarHBondContact ND2-O 3.01Å; N11-L34 WeakPolarHBondContact O-CD2 3.36Å |
| 12 | C | 82.6 | Confident | 81.5 | Confident | 7 Ų | 7 | 79.1 Ų | 79.1 | 5% | 0.047 | 45% | 0.446 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -8.2 | 175.4 | 65.4 | 0 | 0 | 0 | 0 | 114.4 | C9 H14 H24 I32 | C9-C12 WeakPolarHBondContact CB-SG 3.31Å; C12-H14 PolarHBondContact O-N 2.79Å; C12-H14 PolarHBondContact O-ND1 3.16Å; C12-H24 PolarHBondContact SG-NE2 3.23Å; C12-I32 HydrophobicContact CB-CD1 4.08Å |
| 13 | K | 82.8 | Confident | 83.3 | Confident | 103 Ų | 103 | 79.5 Ų | 79.5 | 45% | 0.448 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | 26.4 | -177.3 | -50.4 | 178.3 | -171.3 | 173.1 | 0 | 115 | F8 C9 Q39 | F8-K13 VanDerWaalsContact CE2-C 3.49Å; F8-K13 HydrophobicContact CE2-CB 4.26Å; F8-K13 WeakPolarHBondContact CE2-O 3.23Å; F8-K13 HydrophobicContact CZ-CB 3.99Å; F8-K13 HydrophobicContact CZ-CG 4.44Å; C9-K13 VanDerWaalsContact O-CA 3.27Å; C9-K13 WeakPolarHBondContact O-CA 3.26Å; C9-K13 PolarHBondContact O-N 3.16Å; K13-Q39 WeakPolarHBondContact CE-O 3.45Å; K13-Q39 PolarHBondContact NZ-O 2.81Å |
| 14 | H | 81.4 | Confident | 84.8 | Confident | 111 Ų | 111 | 74.5 Ų | 74.5 | 51% | 0.514 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 153 | 175.8 | -74.8 | 62 | 0 | 0 | 0 | 111.8 | C9 C12 I16 | C9-H14 PolarHBondContact N-O 2.7Å; C12-H14 PolarHBondContact O-N 2.79Å; C12-H14 PolarHBondContact O-ND1 3.16Å; H14-I16 HydrophobicContact CB-CG1 4.44Å |
| 15 | D | 87.9 | Confident | 85.7 | Confident | 112 Ų | 112 | 69.1 Ų | 69.1 | 60% | 0.599 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 133.7 | 168.9 | -68.3 | -50.6 | 0 | 0 | 0 | 110.5 | F8 | F8-D15 WeakPolarHBondContact CB-OD1 3.31Å; F8-D15 WeakPolarHBondContact CD2-OD1 3.4Å |
| 16 | I | 85.5 | Confident | 85.7 | Confident | 17 Ų | 17 | 68.2 Ų | 68.2 | 9% | 0.087 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 133.6 | -163.9 | -48.7 | -171.9 | 0 | 0 | 0 | 109.9 | T6 Q7 C9 H14 E18 F21 H24 | T6-I16 CarbonylContact C-O 3.49Å; T6-I16 VanDerWaalsContact CA-O 3.23Å; T6-I16 WeakPolarHBondContact CA-O 3.27Å; Q7-I16 PolarHBondContact N-O 2.84Å; Q7-I16 PolarHBondContact O-N 3.29Å; C9-I16 HydrophobicContact CB-CD1 3.56Å; C9-I16 HydrophobicContact CB-CG1 4.36Å; H14-I16 HydrophobicContact CB-CG1 4.44Å; I16-E18 PolarHBondContact O-N 3.15Å; I16-F21 HydrophobicContact CB-CD2 4.35Å; I16-H24 HydrophobicContact CD1-CB 4.1Å; I16-H24 WeakPolarHBondContact CD1-CD2 3.49Å; I16-H24 WeakPolarHBondContact CD1-NE2 3.11Å; I16-H24 HydrophobicContact CG2-CB 4.21Å |
| 17 | P | 87.9 | Confident | 85.6 | Confident | 60 Ų | 60 | 69 Ų | 69 | 39% | 0.39 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -52.7 | 129.5 | 176.5 | -27.7 | 35.6 | 0 | 0 | 0 | 112 | A19 N20 F21 | P17-A19 PolarHBondContact O-N 3.33Å; P17-A19 VanDerWaalsContact O-N 3.15Å; P17-N20 CarbonylContact O-C 3.51Å; P17-N20 WeakPolarHBondContact O-CA 3.3Å; P17-N20 PolarHBondContact O-N 3.45Å; P17-F21 PolarHBondContact O-N 3.04Å |
| 18 | E | 86.6 | Confident | 85.8 | Confident | 87 Ų | 87 | 65.6 Ų | 65.6 | 41% | 0.407 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -54 | -38.3 | -174 | 173.9 | 170.6 | -106.1 | 0 | 0 | 112.7 | N5 Q7 I16 N20 F21 | N5-E18 HydrophobicContact CB-CB 4.37Å; N5-E18 PolarHBondContact ND2-OE1 3.17Å; N5-E18 VanDerWaalsContact ND2-OE1 3.1Å; N5-E18 PolarHBondContact ND2-OE2 3.14Å; N5-E18 VanDerWaalsContact O-CB 3.26Å; N5-E18 WeakPolarHBondContact O-CB 3.37Å; N5-E18 PolarHBondContact O-N 2.76Å; Q7-E18 HydrophobicContact CG-CB 4.31Å; Q7-E18 HydrophobicContact CG-CG 4.46Å; Q7-E18 PolarHBondContact NE2-OE1 2.77Å; I16-E18 PolarHBondContact O-N 3.15Å; E18-N20 PolarHBondContact O-N 2.88Å; E18-N20 VanDerWaalsContact O-N 3.17Å; E18-F21 PolarHBondContact O-N 3.45Å; E18-F21 VanDerWaalsContact O-N 3.14Å |
| 19 | A | 83 | Confident | 85.7 | Confident | 93 Ų | 93 | 67.7 Ų | 67.7 | 77% | 0.769 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -56.4 | -30.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | P17 | P17-A19 PolarHBondContact O-N 3.33Å; P17-A19 VanDerWaalsContact O-N 3.15Å |
| 20 | N | 85.3 | Confident | 85.7 | Confident | 89 Ų | 89 | 76 Ų | 76 | 48% | 0.476 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -107.2 | -2.5 | -178.5 | -63.7 | -0.1 | 0 | 0 | 0 | 112.5 | P17 E18 T22 T23 H24 | P17-N20 CarbonylContact O-C 3.51Å; P17-N20 WeakPolarHBondContact O-CA 3.3Å; P17-N20 PolarHBondContact O-N 3.45Å; E18-N20 PolarHBondContact O-N 2.88Å; E18-N20 VanDerWaalsContact O-N 3.17Å; N20-T22 PolarHBondContact O-N 3.06Å; N20-T23 PolarHBondContact O-N 2.98Å; N20-T23 PolarHBondContact O-OG1 3.4Å; N20-H24 WeakPolarHBondContact O-CB 3.32Å; N20-H24 PolarHBondContact O-N 2.97Å |
| 21 | F | 87.2 | Confident | 85.8 | Confident | 30 Ų | 30 | 77.1 Ų | 77.1 | 13% | 0.132 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -62.9 | -42.4 | -175.7 | -176.4 | -93.4 | 0 | 0 | 0 | 112 | Q7 C9 I16 P17 E18 T23 H24 E25 | Q7-F21 HydrophobicContact CB-CB 4.35Å; Q7-F21 HydrophobicContact CB-CD2 3.48Å; Q7-F21 VanDerWaalsContact CB-CD2 3.48Å; Q7-F21 HydrophobicContact CB-CE2 3.81Å; Q7-F21 HydrophobicContact CB-CG 3.86Å; Q7-F21 HydrophobicContact CB-CZ 4.46Å; C9-F21 HydrophobicContact CB-CE2 4.03Å; I16-F21 HydrophobicContact CB-CD2 4.35Å; P17-F21 PolarHBondContact O-N 3.04Å; E18-F21 PolarHBondContact O-N 3.45Å; E18-F21 VanDerWaalsContact O-N 3.14Å; F21-T23 PolarHBondContact O-N 2.97Å; F21-H24 PolarHBondContact O-N 2.83Å; F21-E25 HydrophobicContact CE1-CB 4.27Å; F21-E25 HydrophobicContact CE1-CG 4.48Å; F21-E25 VanDerWaalsContact O-CB 3.31Å; F21-E25 WeakPolarHBondContact O-CB 3.45Å; F21-E25 PolarHBondContact O-N 2.74Å |
| 22 | T | 87.6 | Confident | 86 | Confident | 91 Ų | 91 | 77.6 Ų | 77.6 | 56% | 0.558 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -64 | -39.6 | -179.6 | -52.9 | 0 | 0 | 0 | 0 | 112.8 | N20 I26 | N20-T22 PolarHBondContact O-N 3.06Å; T22-I26 HydrophobicContact CG2-CD1 4.47Å; T22-I26 WeakPolarHBondContact O-CD1 3.43Å; T22-I26 VanDerWaalsContact O-CG1 3.31Å; T22-I26 WeakPolarHBondContact O-CG1 3.45Å |
| 23 | T | 86.4 | Confident | 86.2 | Confident | 97 Ų | 97 | 77.5 Ų | 77.5 | 60% | 0.595 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -72.4 | -41.1 | 176.6 | 44.3 | 0 | 0 | 0 | 0 | 110.9 | N20 F21 I26 H27 | N20-T23 PolarHBondContact O-N 2.98Å; N20-T23 PolarHBondContact O-OG1 3.4Å; F21-T23 PolarHBondContact O-N 2.97Å; T23-I26 PolarHBondContact O-N 3.42Å; T23-H27 PolarHBondContact O-N 3.07Å; T23-H27 VanDerWaalsContact O-N 3.07Å |
| 24 | H | 87.6 | Confident | 86.5 | Confident | 51 Ų | 51 | 75.1 Ų | 75.1 | 24% | 0.236 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -63.1 | -47.3 | 174.5 | -179.7 | 94 | 0 | 0 | 0 | 112.7 | C12 I16 N20 F21 I26 H27 C28 | C12-H24 PolarHBondContact SG-NE2 3.23Å; I16-H24 HydrophobicContact CD1-CB 4.1Å; I16-H24 WeakPolarHBondContact CD1-CD2 3.49Å; I16-H24 WeakPolarHBondContact CD1-NE2 3.11Å; I16-H24 HydrophobicContact CG2-CB 4.21Å; N20-H24 WeakPolarHBondContact O-CB 3.32Å; N20-H24 PolarHBondContact O-N 2.97Å; F21-H24 PolarHBondContact O-N 2.83Å; H24-I26 PolarHBondContact O-N 3.17Å; H24-I26 VanDerWaalsContact O-N 3.16Å; H24-H27 PolarHBondContact O-N 3.18Å; H24-C28 VanDerWaalsContact NE2-CB 3.26Å; H24-C28 WeakPolarHBondContact NE2-CB 3.29Å; H24-C28 WeakPolarHBondContact O-CB 3.5Å; H24-C28 PolarHBondContact O-N 3.41Å |
| 25 | E | 89.5 | Confident | 86.8 | Confident | 53 Ų | 53 | 69.8 Ų | 69.8 | 25% | 0.248 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -53.9 | -39.7 | -179 | -174.8 | -171.5 | -159.9 | 0 | 0 | 111.2 | F21 R29 | F21-E25 HydrophobicContact CE1-CB 4.27Å; F21-E25 HydrophobicContact CE1-CG 4.48Å; F21-E25 VanDerWaalsContact O-CB 3.31Å; F21-E25 WeakPolarHBondContact O-CB 3.45Å; F21-E25 PolarHBondContact O-N 2.74Å; E25-R29 VanDerWaalsContact O-CB 3.32Å; E25-R29 WeakPolarHBondContact O-CB 3.33Å; E25-R29 VanDerWaalsContact O-CG 3.3Å; E25-R29 WeakPolarHBondContact O-CG 3.26Å; E25-R29 PolarHBondContact O-N 3.01Å; E25-R29 IonicContact OE1-CZ 2.64Å; E25-R29 IonicContact OE1-NH1 3.57Å; E25-R29 PolarHBondContact OE1-NH1 2.85Å; E25-R29 IonicContact OE1-NH2 2.68Å; E25-R29 PolarHBondContact OE1-NH2 2.65Å; E25-R29 IonicContact OE2-NH1 2.7Å |
| 26 | I | 86.9 | Confident | 86.7 | Confident | 78 Ų | 78 | 69.9 Ų | 69.9 | 40% | 0.4 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -73 | -42 | 178 | -64.8 | 170 | 0 | 0 | 0 | 111.9 | T22 T23 H24 R30 | T22-I26 HydrophobicContact CG2-CD1 4.47Å; T22-I26 WeakPolarHBondContact O-CD1 3.43Å; T22-I26 VanDerWaalsContact O-CG1 3.31Å; T22-I26 WeakPolarHBondContact O-CG1 3.45Å; T23-I26 PolarHBondContact O-N 3.42Å; H24-I26 PolarHBondContact O-N 3.17Å; H24-I26 VanDerWaalsContact O-N 3.16Å; I26-R30 VanDerWaalsContact O-CD 3.29Å; I26-R30 WeakPolarHBondContact O-CD 3.49Å; I26-R30 VanDerWaalsContact O-CG 3.27Å; I26-R30 WeakPolarHBondContact O-CG 3.27Å |
| 27 | H | 85.1 | Confident | 86.5 | Confident | 87 Ų | 87 | 72.9 Ų | 72.9 | 40% | 0.403 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -69 | -51.4 | 178.2 | -175.7 | 113.2 | 0 | 0 | 0 | 111.2 | T23 H24 R29 R30 N31 | T23-H27 PolarHBondContact O-N 3.07Å; T23-H27 VanDerWaalsContact O-N 3.07Å; H24-H27 PolarHBondContact O-N 3.18Å; H27-R29 PolarHBondContact O-N 3.29Å; H27-R30 WeakPolarHBondContact O-CB 3.34Å; H27-R30 PolarHBondContact O-N 2.82Å; H27-N31 PolarHBondContact CE1-ND2 2.95Å; H27-N31 VanDerWaalsContact CE1-ND2 3.31Å; H27-N31 PolarHBondContact NE2-ND2 3.31Å; H27-N31 PolarHBondContact O-N 3.22Å |
| 28 | C | 87.7 | Confident | 86.3 | Confident | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -57.1 | -45.9 | -180 | -179.5 | 0 | 0 | 0 | 0 | 112.3 | N11 H24 R30 N31 I32 | N11-C28 PolarHBondContact ND2-O 2.96Å; N11-C28 PolarHBondContact ND2-SG 3.24Å; H24-C28 VanDerWaalsContact NE2-CB 3.26Å; H24-C28 WeakPolarHBondContact NE2-CB 3.29Å; H24-C28 WeakPolarHBondContact O-CB 3.5Å; H24-C28 PolarHBondContact O-N 3.41Å; C28-R30 PolarHBondContact O-N 3.01Å; C28-R30 VanDerWaalsContact O-N 3.17Å; C28-N31 PolarHBondContact O-N 3.43Å; C28-I32 WeakPolarHBondContact O-CA 3.22Å; C28-I32 WeakPolarHBondContact O-CB 3.06Å; C28-I32 PolarHBondContact O-N 3.49Å; C28-I32 VanDerWaalsContact O-O 3.07Å |
| 29 | R | 85.6 | Confident | 86.1 | Confident | 161 Ų | 161 | 72.1 Ų | 72.1 | 61% | 0.608 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -67.3 | -10.6 | 176.4 | -76.9 | -175.1 | 179.8 | 136.2 | 12.8 | 115.1 | E25 H27 | E25-R29 VanDerWaalsContact O-CB 3.32Å; E25-R29 WeakPolarHBondContact O-CB 3.33Å; E25-R29 VanDerWaalsContact O-CG 3.3Å; E25-R29 WeakPolarHBondContact O-CG 3.26Å; E25-R29 PolarHBondContact O-N 3.01Å; E25-R29 IonicContact OE1-CZ 2.64Å; E25-R29 IonicContact OE1-NH1 3.57Å; E25-R29 PolarHBondContact OE1-NH1 2.85Å; E25-R29 IonicContact OE1-NH2 2.68Å; E25-R29 PolarHBondContact OE1-NH2 2.65Å; E25-R29 IonicContact OE2-NH1 2.7Å; H27-R29 PolarHBondContact O-N 3.29Å |
| 30 | R | 86.6 | Confident | 86.1 | Confident | 180 Ų | 180 | 72.4 Ų | 72.4 | 68% | 0.679 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -99.8 | -38.2 | 176.5 | -69.2 | 170.5 | -178.2 | 170.5 | 1.5 | 111.9 | I26 H27 C28 H44 | I26-R30 VanDerWaalsContact O-CD 3.29Å; I26-R30 WeakPolarHBondContact O-CD 3.49Å; I26-R30 VanDerWaalsContact O-CG 3.27Å; I26-R30 WeakPolarHBondContact O-CG 3.27Å; H27-R30 WeakPolarHBondContact O-CB 3.34Å; H27-R30 PolarHBondContact O-N 2.82Å; C28-R30 PolarHBondContact O-N 3.01Å; C28-R30 VanDerWaalsContact O-N 3.17Å; R30-H44 PolarHBondContact O-CD2 2.87Å |
| 31 | N | 84.3 | Confident | 86.2 | Confident | 81 Ų | 81 | 70.5 Ų | 70.5 | 43% | 0.433 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -102.7 | -27.4 | -170.7 | -68.9 | 5.8 | 0 | 0 | 0 | 113.3 | H27 C28 P43 H44 | H27-N31 PolarHBondContact CE1-ND2 2.95Å; H27-N31 VanDerWaalsContact CE1-ND2 3.31Å; H27-N31 PolarHBondContact NE2-ND2 3.31Å; H27-N31 PolarHBondContact O-N 3.22Å; C28-N31 PolarHBondContact O-N 3.43Å; N31-P43 CarbonylContact O-C 3.47Å; N31-P43 VanDerWaalsContact O-CA 3.28Å; N31-P43 WeakPolarHBondContact O-CA 3.09Å; N31-H44 PolarHBondContact O-N 3.19Å |
| 32 | I | 88.8 | Confident | 86.2 | Confident | 42 Ų | 42 | 69.7 Ų | 69.7 | 22% | 0.215 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 121.3 | -177.1 | -59.3 | 176.7 | 0 | 0 | 0 | 109.6 | N11 C12 C28 P41 | N11-I32 PolarHBondContact ND2-O 3.01Å; C12-I32 HydrophobicContact CB-CD1 4.08Å; C28-I32 WeakPolarHBondContact O-CA 3.22Å; C28-I32 WeakPolarHBondContact O-CB 3.06Å; C28-I32 PolarHBondContact O-N 3.49Å; C28-I32 VanDerWaalsContact O-O 3.07Å; I32-P41 HydrophobicContact CG2-CB 3.61Å |
| 33 | G | 87.1 | Confident | 86.3 | Confident | 5 Ų | 5 | 67.6 Ų | 67.6 | 5% | 0.052 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 151.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | V42 | G33-V42 PolarHBondContact N-O 2.99Å; G33-V42 PolarHBondContact O-N 3.28Å |
| 34 | L | 88.4 | Confident | 86.3 | Confident | 52 Ų | 52 | 67.8 Ų | 67.8 | 27% | 0.272 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 133.1 | 166.6 | -67.9 | 172.8 | 0 | 0 | 0 | 109.5 | N11 E40 P41 | N11-L34 WeakPolarHBondContact O-CD2 3.36Å; L34-E40 WeakPolarHBondContact CA-O 3.32Å; L34-P41 HydrophobicContact CD2-CB 4.33Å |
| 35 | C | 88.1 | Confident | 86.3 | Confident | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 35% | 0.354 | C | S | . | . | trans | -68.9 | 130 | 171.1 | 179.2 | 0 | 0 | 0 | 0 | 110.9 | V37 C38 Q39 E40 L47 H50 | C35-V37 PolarHBondContact O-N 3.05Å; C35-C38 VanDerWaalsContact CB-SG 3.53Å; C35-Q39 WeakPolarHBondContact O-CA 3.38Å; C35-Q39 PolarHBondContact O-N 3.27Å; C35-Q39 PolarHBondContact O-NE2 2.88Å; C35-E40 PolarHBondContact N-O 2.8Å; C35-L47 HydrophobicContact CB-CD1 4.06Å; C35-H50 WeakPolarHBondContact CB-NE2 3.43Å; C35-H50 VanDerWaalsContact SG-CD2 3.56Å; C35-H50 PolarHBondContact SG-NE2 2.97Å | ||
| 36 | D | 85.1 | Confident | 86.2 | Confident | 113 Ų | 113 | 71.4 Ų | 71.4 | 60% | 0.604 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -29.1 | -174.8 | -55.4 | -81.3 | 0 | 0 | 0 | 113.9 | Q39 K51 | D36-Q39 PolarHBondContact O-NE2 2.79Å; D36-K51 WeakPolarHBondContact OD2-CE 3.28Å; D36-K51 IonicContact OD2-NZ 3.99Å; D36-K51 PolarHBondContact OD2-NZ 3.34Å |
| 37 | V | 82.1 | Confident | 86.3 | Confident | 80 Ų | 80 | 68.8 Ų | 68.8 | 49% | 0.485 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | -55.7 | -170.7 | -172.7 | 0 | 0 | 0 | 0 | 112.8 | C35 H55 | C35-V37 PolarHBondContact O-N 3.05Å; V37-H55 VanDerWaalsContact CB-CE1 3.43Å; V37-H55 WeakPolarHBondContact CB-CE1 3.47Å; V37-H55 VanDerWaalsContact CG1-CE1 3.4Å; V37-H55 WeakPolarHBondContact CG1-CE1 3.28Å; V37-H55 VanDerWaalsContact CG1-ND1 3.33Å; V37-H55 WeakPolarHBondContact CG1-ND1 3.33Å |
| 38 | C | 82.5 | Confident | 86.4 | Confident | 42 Ų | 42 | 70.5 Ų | 70.5 | 28% | 0.284 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | -15 | 176.4 | 62.5 | 0 | 0 | 0 | 0 | 114.3 | C35 E40 H50 H55 | C35-C38 VanDerWaalsContact CB-SG 3.53Å; C38-E40 HydrophobicContact CB-CG 4Å; C38-E40 PolarHBondContact O-N 2.84Å; C38-E40 VanDerWaalsContact SG-CB 3.55Å; C38-E40 VanDerWaalsContact SG-CG 3.56Å; C38-E40 PolarHBondContact SG-N 2.64Å; C38-E40 VanDerWaalsContact SG-N 3.45Å; C38-E40 PolarHBondContact SG-OE2 3.32Å; C38-H50 PolarHBondContact SG-NE2 2.83Å; C38-H50 VanDerWaalsContact SG-NE2 3.37Å; C38-H55 PolarHBondContact SG-NE2 3.16Å |
| 39 | Q | 83.6 | Confident | 86.5 | Confident | 89 Ų | 89 | 75.9 Ų | 75.9 | 42% | 0.416 | 38% | 0.38 | S | S | . | . | trans | 56.7 | 30.6 | -172.4 | -61.7 | -68.6 | -41.3 | 0 | 0 | 113.3 | K13 C35 D36 | K13-Q39 WeakPolarHBondContact CE-O 3.45Å; K13-Q39 PolarHBondContact NZ-O 2.81Å; C35-Q39 WeakPolarHBondContact O-CA 3.38Å; C35-Q39 PolarHBondContact O-N 3.27Å; C35-Q39 PolarHBondContact O-NE2 2.88Å; D36-Q39 PolarHBondContact O-NE2 2.79Å | ||
| 40 | E | 83.1 | Confident | 86.7 | Confident | 99 Ų | 99 | 69.4 Ų | 69.4 | 46% | 0.463 | 36% | 0.357 | S | S | . | . | trans | -83.6 | 144.6 | 172.2 | -65.9 | 171.3 | 144.8 | 0 | 0 | 110.9 | L34 C35 C38 V42 H50 | L34-E40 WeakPolarHBondContact CA-O 3.32Å; C35-E40 PolarHBondContact N-O 2.8Å; C38-E40 HydrophobicContact CB-CG 4Å; C38-E40 PolarHBondContact O-N 2.84Å; C38-E40 VanDerWaalsContact SG-CB 3.55Å; C38-E40 VanDerWaalsContact SG-CG 3.56Å; C38-E40 PolarHBondContact SG-N 2.64Å; C38-E40 VanDerWaalsContact SG-N 3.45Å; C38-E40 PolarHBondContact SG-OE2 3.32Å; E40-V42 PolarHBondContact O-N 3.08Å; E40-H50 IonicContact OE2-CE1 3.53Å | ||
| 41 | P | 87.6 | Confident | 86.7 | Confident | 49 Ų | 49 | 63.5 Ų | 63.5 | 32% | 0.318 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 118.9 | 174.1 | 30.1 | -31.8 | 0 | 0 | 0 | 110.5 | I32 L34 | I32-P41 HydrophobicContact CG2-CB 3.61Å; L34-P41 HydrophobicContact CD2-CB 4.33Å |
| 42 | V | 86.6 | Confident | 86.8 | Confident | 14 Ų | 14 | 64.3 Ų | 64.3 | 9% | 0.085 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 141.5 | -178.4 | -175.2 | 0 | 0 | 0 | 0 | 109.1 | G33 E40 H44 E46 L47 H50 | G33-V42 PolarHBondContact N-O 2.99Å; G33-V42 PolarHBondContact O-N 3.28Å; E40-V42 PolarHBondContact O-N 3.08Å; V42-H44 PolarHBondContact O-N 3.48Å; V42-E46 HydrophobicContact CG1-CB 4.04Å; V42-L47 HydrophobicContact CB-CD1 4.05Å; V42-H50 HydrophobicContact CG1-CB 3.92Å; V42-H50 HydrophobicContact CG2-CB 4.41Å |
| 43 | P | 89.3 | Confident | 86.6 | Confident | 47 Ų | 47 | 66.7 Ų | 66.7 | 31% | 0.305 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.7 | 139 | 172.6 | -27.2 | 36.2 | 0 | 0 | 0 | 111.9 | N31 S45 E46 L47 | N31-P43 CarbonylContact O-C 3.47Å; N31-P43 VanDerWaalsContact O-CA 3.28Å; N31-P43 WeakPolarHBondContact O-CA 3.09Å; P43-S45 WeakPolarHBondContact CB-OG 3.4Å; P43-S45 PolarHBondContact O-N 3.36Å; P43-S45 VanDerWaalsContact O-N 3.16Å; P43-E46 HydrophobicContact CB-CB 4.31Å; P43-E46 HydrophobicContact CB-CG 4.49Å; P43-E46 CarbonylContact O-C 3.54Å; P43-E46 PolarHBondContact O-N 3.25Å; P43-L47 WeakPolarHBondContact O-CB 3.2Å; P43-L47 PolarHBondContact O-N 2.86Å |
| 44 | H | 87.3 | Confident | 86.2 | Confident | 101 Ų | 101 | 69.3 Ų | 69.3 | 47% | 0.468 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -25.1 | -178.4 | -93 | -63.4 | 0 | 0 | 0 | 113.4 | R30 N31 V42 | R30-H44 PolarHBondContact O-CD2 2.87Å; N31-H44 PolarHBondContact O-N 3.19Å; V42-H44 PolarHBondContact O-N 3.48Å |
| 45 | S | 86.2 | Confident | 86.1 | Confident | 99 Ų | 99 | 68.1 Ų | 68.1 | 69% | 0.692 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -44.9 | 168.2 | 39.8 | 0 | 0 | 0 | 0 | 112.7 | P43 | P43-S45 WeakPolarHBondContact CB-OG 3.4Å; P43-S45 PolarHBondContact O-N 3.36Å; P43-S45 VanDerWaalsContact O-N 3.16Å |
| 46 | E | 88.8 | Confident | 86 | Confident | 81 Ų | 81 | 70.9 Ų | 70.9 | 38% | 0.379 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -15.5 | -171.7 | -70.4 | 162.3 | -143.7 | 0 | 0 | 113 | V42 P43 Q48 E49 H50 | V42-E46 HydrophobicContact CG1-CB 4.04Å; P43-E46 HydrophobicContact CB-CB 4.31Å; P43-E46 HydrophobicContact CB-CG 4.49Å; P43-E46 CarbonylContact O-C 3.54Å; P43-E46 PolarHBondContact O-N 3.25Å; E46-Q48 PolarHBondContact O-N 2.91Å; E46-E49 CarbonylContact O-C 3.56Å; E46-E49 WeakPolarHBondContact O-CA 3.4Å; E46-E49 PolarHBondContact O-N 3.02Å; E46-H50 PolarHBondContact O-N 3.3Å |
| 47 | L | 88.5 | Confident | 86.1 | Confident | 22 Ų | 22 | 71.1 Ų | 71.1 | 12% | 0.115 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -51.4 | -35.2 | -178.1 | -173.8 | 69.4 | 0 | 0 | 0 | 113.2 | C35 V42 P43 K51 | C35-L47 HydrophobicContact CB-CD1 4.06Å; V42-L47 HydrophobicContact CB-CD1 4.05Å; P43-L47 WeakPolarHBondContact O-CB 3.2Å; P43-L47 PolarHBondContact O-N 2.86Å; L47-K51 WeakPolarHBondContact O-CB 3.4Å; L47-K51 WeakPolarHBondContact O-CD 3.44Å; L47-K51 VanDerWaalsContact O-CG 3.25Å; L47-K51 WeakPolarHBondContact O-CG 3.43Å; L47-K51 PolarHBondContact O-N 2.82Å; L47-K51 VanDerWaalsContact O-N 3.17Å |
| 48 | Q | 87.9 | Confident | 86.3 | Confident | 124 Ų | 124 | 70.2 Ų | 70.2 | 58% | 0.579 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -75.6 | -37.3 | 176.3 | -176.5 | 60.9 | 20.8 | 0 | 0 | 112.3 | E46 I52 | E46-Q48 PolarHBondContact O-N 2.91Å; Q48-I52 HydrophobicContact CG-CD1 4.36Å; Q48-I52 WeakPolarHBondContact O-CD1 3.44Å; Q48-I52 WeakPolarHBondContact O-CG1 3.5Å; Q48-I52 PolarHBondContact O-N 3.31Å; Q48-I52 VanDerWaalsContact O-N 3.16Å |
| 49 | E | 88.7 | Confident | 86.4 | Confident | 112 Ų | 112 | 72.6 Ų | 72.6 | 52% | 0.523 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -70.5 | -46.3 | 175.1 | 177.1 | 157.1 | -156.1 | 0 | 0 | 111.1 | E46 K51 I52 Q53 | E46-E49 CarbonylContact O-C 3.56Å; E46-E49 WeakPolarHBondContact O-CA 3.4Å; E46-E49 PolarHBondContact O-N 3.02Å; E49-K51 VanDerWaalsContact C-N 3.27Å; E49-K51 PolarHBondContact O-N 3.29Å; E49-I52 CarbonylContact O-C 3.43Å; E49-I52 WeakPolarHBondContact O-CA 3.44Å; E49-I52 WeakPolarHBondContact O-CB 3.41Å; E49-I52 PolarHBondContact O-N 3.45Å; E49-Q53 VanDerWaalsContact CD-NE2 3.32Å; E49-Q53 HydrophobicContact CG-CG 3.94Å; E49-Q53 WeakPolarHBondContact O-CG 3.25Å; E49-Q53 PolarHBondContact O-N 2.88Å; E49-Q53 PolarHBondContact OE1-NE2 3.04Å |
| 50 | H | 89.5 | Confident | 86.5 | Confident | 26 Ų | 26 | 69 Ų | 69 | 12% | 0.12 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -52.4 | -43.4 | 171.4 | 162.6 | 86.8 | 0 | 0 | 0 | 112 | C35 C38 E40 V42 E46 I52 Q53 E54 H55 | C35-H50 WeakPolarHBondContact CB-NE2 3.43Å; C35-H50 VanDerWaalsContact SG-CD2 3.56Å; C35-H50 PolarHBondContact SG-NE2 2.97Å; C38-H50 PolarHBondContact SG-NE2 2.83Å; C38-H50 VanDerWaalsContact SG-NE2 3.37Å; E40-H50 IonicContact OE2-CE1 3.53Å; V42-H50 HydrophobicContact CG1-CB 3.92Å; V42-H50 HydrophobicContact CG2-CB 4.41Å; E46-H50 PolarHBondContact O-N 3.3Å; H50-I52 VanDerWaalsContact C-N 3.32Å; H50-I52 PolarHBondContact O-N 3.48Å; H50-Q53 PolarHBondContact O-N 2.96Å; H50-E54 PolarHBondContact O-N 3.46Å; H50-H55 AromaticContact NE2-CD2 3.69Å; H50-H55 AromaticContact NE2-NE2 3.63Å |
| 51 | K | 87.9 | Confident | 86.4 | Confident | 55 Ų | 55 | 73.7 Ų | 73.7 | 24% | 0.239 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -62.4 | -36.5 | 174.5 | -79.1 | 170.9 | 177.5 | 179.7 | 0 | 112.9 | D36 L47 E49 H55 T56 | D36-K51 WeakPolarHBondContact OD2-CE 3.28Å; D36-K51 IonicContact OD2-NZ 3.99Å; D36-K51 PolarHBondContact OD2-NZ 3.34Å; L47-K51 WeakPolarHBondContact O-CB 3.4Å; L47-K51 WeakPolarHBondContact O-CD 3.44Å; L47-K51 VanDerWaalsContact O-CG 3.25Å; L47-K51 WeakPolarHBondContact O-CG 3.43Å; L47-K51 PolarHBondContact O-N 2.82Å; L47-K51 VanDerWaalsContact O-N 3.17Å; E49-K51 VanDerWaalsContact C-N 3.27Å; E49-K51 PolarHBondContact O-N 3.29Å; K51-H55 CarbonylContact O-C 3.6Å; K51-H55 WeakPolarHBondContact O-CA 3.47Å; K51-H55 WeakPolarHBondContact O-CB 3.25Å; K51-H55 PolarHBondContact O-N 3.47Å; K51-H55 VanDerWaalsContact O-N 3.09Å; K51-T56 PolarHBondContact O-N 3.05Å |
| 52 | I | 85.8 | Confident | 86 | Confident | 98 Ų | 98 | 72.9 Ų | 72.9 | 50% | 0.503 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -74.9 | -39.6 | 176.2 | -67.4 | 164.4 | 0 | 0 | 0 | 111.2 | Q48 E49 H50 T56 | Q48-I52 HydrophobicContact CG-CD1 4.36Å; Q48-I52 WeakPolarHBondContact O-CD1 3.44Å; Q48-I52 WeakPolarHBondContact O-CG1 3.5Å; Q48-I52 PolarHBondContact O-N 3.31Å; Q48-I52 VanDerWaalsContact O-N 3.16Å; E49-I52 CarbonylContact O-C 3.43Å; E49-I52 WeakPolarHBondContact O-CA 3.44Å; E49-I52 WeakPolarHBondContact O-CB 3.41Å; E49-I52 PolarHBondContact O-N 3.45Å; H50-I52 VanDerWaalsContact C-N 3.32Å; H50-I52 PolarHBondContact O-N 3.48Å; I52-T56 WeakPolarHBondContact CA-OG1 3.29Å; I52-T56 WeakPolarHBondContact O-CB 3.13Å; I52-T56 PolarHBondContact O-OG1 3.17Å |
| 53 | Q | 84.1 | Confident | 85.7 | Confident | 92 Ų | 92 | 74.9 Ų | 74.9 | 43% | 0.43 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -70.7 | -50.9 | 179.5 | -67.6 | -171.1 | 10.7 | 0 | 0 | 110.5 | E49 H50 K68 | E49-Q53 VanDerWaalsContact CD-NE2 3.32Å; E49-Q53 HydrophobicContact CG-CG 3.94Å; E49-Q53 WeakPolarHBondContact O-CG 3.25Å; E49-Q53 PolarHBondContact O-N 2.88Å; E49-Q53 PolarHBondContact OE1-NE2 3.04Å; H50-Q53 PolarHBondContact O-N 2.96Å; Q53-K68 WeakPolarHBondContact O-CB 3.45Å; Q53-K68 WeakPolarHBondContact O-CD 3.42Å; Q53-K68 VanDerWaalsContact O-CE 3.32Å; Q53-K68 WeakPolarHBondContact O-CE 3.33Å; Q53-K68 VanDerWaalsContact O-CG 3.31Å; Q53-K68 WeakPolarHBondContact O-CG 3.41Å; Q53-K68 PolarHBondContact O-NZ 3.03Å |
| 54 | E | 79.5 | Confident | 85.3 | Confident | 60 Ų | 60 | 76.8 Ų | 76.8 | 28% | 0.28 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -100.6 | -32.5 | -168.5 | -63.7 | -47.9 | 107.2 | 0 | 0 | 114.4 | H50 K68 N69 | H50-E54 PolarHBondContact O-N 3.46Å; E54-K68 PolarHBondContact O-N 3.37Å; E54-K68 IonicContact OE1-NZ 2.89Å; E54-K68 PolarHBondContact OE1-NZ 3.25Å; E54-N69 HydrophobicContact CB-CB 4.21Å; E54-N69 WeakPolarHBondContact O-CB 3.36Å; E54-N69 VanDerWaalsContact O-CG 3.27Å; E54-N69 PolarHBondContact O-N 3.3Å |
| 55 | H | 85.6 | Confident | 85.2 | Confident | 27 Ų | 27 | 78.6 Ų | 78.6 | 13% | 0.125 | 41% | 0.408 | C | S | . | . | S | Bend | trans | -105.2 | 3.4 | -175.6 | -64.2 | -68.5 | 0 | 0 | 0 | 114.7 | V37 C38 H50 K51 Q57 E67 N69 | V37-H55 VanDerWaalsContact CB-CE1 3.43Å; V37-H55 WeakPolarHBondContact CB-CE1 3.47Å; V37-H55 VanDerWaalsContact CG1-CE1 3.4Å; V37-H55 WeakPolarHBondContact CG1-CE1 3.28Å; V37-H55 VanDerWaalsContact CG1-ND1 3.33Å; V37-H55 WeakPolarHBondContact CG1-ND1 3.33Å; C38-H55 PolarHBondContact SG-NE2 3.16Å; H50-H55 AromaticContact NE2-CD2 3.69Å; H50-H55 AromaticContact NE2-NE2 3.63Å; K51-H55 CarbonylContact O-C 3.6Å; K51-H55 WeakPolarHBondContact O-CA 3.47Å; K51-H55 WeakPolarHBondContact O-CB 3.25Å; K51-H55 PolarHBondContact O-N 3.47Å; K51-H55 VanDerWaalsContact O-N 3.09Å; H55-Q57 PolarHBondContact O-N 2.81Å; H55-E67 IonicContact CE1-OE2 3.03Å; H55-E67 IonicContact CG-OE2 3.83Å; H55-E67 IonicContact ND1-OE2 2.75Å; H55-E67 PolarHBondContact ND1-OE2 3.21Å; H55-N69 PolarHBondContact CE1-ND2 2.93Å; H55-N69 PolarHBondContact ND1-ND2 3.01Å; H55-N69 VanDerWaalsContact ND1-ND2 3.16Å |
| 56 | T | 85.8 | Confident | 85.1 | Confident | 58 Ų | 58 | 75 Ų | 75 | 36% | 0.356 | 38% | 0.381 | S | S | . | . | trans | -61.1 | 127.1 | 169.4 | -71.8 | 0 | 0 | 0 | 0 | 110.2 | K51 I52 I58 K68 | K51-T56 PolarHBondContact O-N 3.05Å; I52-T56 WeakPolarHBondContact CA-OG1 3.29Å; I52-T56 WeakPolarHBondContact O-CB 3.13Å; I52-T56 PolarHBondContact O-OG1 3.17Å; T56-I58 HydrophobicContact CG2-CG2 4.35Å; T56-I58 PolarHBondContact O-N 3.1Å; T56-K68 PolarHBondContact O-N 3.43Å | ||
| 57 | Q | 87.2 | Confident | 84.9 | Confident | 119 Ų | 119 | 73.7 Ų | 73.7 | 56% | 0.556 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 112 | 174.8 | -180 | 171.4 | 93.9 | 0 | 0 | 110.6 | H55 K65 I66 | H55-Q57 PolarHBondContact O-N 2.81Å; Q57-K65 HydrophobicContact CG-CB 3.82Å; Q57-K65 HydrophobicContact CG-CD 4.45Å; Q57-I66 CarbonylContact C-O 3.46Å; Q57-I66 WeakPolarHBondContact CA-O 3.43Å |
| 58 | I | 86 | Confident | 84.7 | Confident | 60 Ų | 60 | 76.6 Ų | 76.6 | 31% | 0.308 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 157.2 | 172.3 | 72.5 | 173.2 | 0 | 0 | 0 | 110.8 | T56 K65 I66 K68 | T56-I58 HydrophobicContact CG2-CG2 4.35Å; T56-I58 PolarHBondContact O-N 3.1Å; I58-K65 WeakPolarHBondContact O-CA 3.45Å; I58-I66 HydrophobicContact CG1-CG1 4.1Å; I58-I66 PolarHBondContact N-O 3.48Å; I58-I66 PolarHBondContact O-N 2.99Å; I58-I66 VanDerWaalsContact O-O 3.1Å; I58-K68 HydrophobicContact CG2-CB 4.45Å |
| 59 | T | 85.6 | Confident | 84.3 | Confident | 93 Ų | 93 | 73.1 Ų | 73.1 | 57% | 0.571 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 120.2 | 173.9 | -55.9 | 0 | 0 | 0 | 0 | 109 | ||
| 60 | C | 86.7 | Confident | 83.9 | Confident | 13 Ų | 13 | 72.8 Ų | 72.8 | 9% | 0.088 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -77.1 | 160.3 | 177.7 | -169.3 | 0 | 0 | 0 | 0 | 111.2 | C62 G63 L64 I66 | C60-C62 PolarHBondContact O-N 3.38Å; C60-G63 PolarHBondContact O-N 3.2Å; C60-L64 PolarHBondContact N-O 3.14Å; C60-I66 HydrophobicContact CB-CD1 3.79Å; C60-I66 HydrophobicContact CB-CG1 4.44Å |
| 61 | K | 79.2 | Confident | 83.6 | Confident | 197 Ų | 197 | 72.2 Ų | 72.2 | 86% | 0.857 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -17.9 | 177.9 | -61 | -176.3 | -179.7 | -177.1 | 0 | 114 | G63 | K61-G63 VanDerWaalsContact C-N 3.31Š|
| 62 | C | 80.1 | Confident | 83.4 | Confident | 32 Ų | 32 | 76.9 Ų | 76.9 | 22% | 0.216 | 39% | 0.392 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -1 | 172.2 | 62.4 | 0 | 0 | 0 | 0 | 114.6 | C60 L64 H74 P80 Q81 | C60-C62 PolarHBondContact O-N 3.38Å; C62-L64 VanDerWaalsContact C-N 3.3Å; C62-L64 PolarHBondContact O-N 3.44Å; C62-H74 PolarHBondContact SG-NE2 2.86Å; C62-P80 HydrophobicContact CB-CG 3.98Å; C62-Q81 HydrophobicContact CB-CB 4.27Å; C62-Q81 HydrophobicContact CB-CG 3.88Å |
| 63 | G | 79.7 | Confident | 83.3 | Confident | 56 Ų | 56 | 76 Ų | 76 | 58% | 0.577 | 39% | 0.392 | S | S | * | . | S | Bend | trans | 83.2 | -6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | C60 K61 | C60-G63 PolarHBondContact O-N 3.2Å; K61-G63 VanDerWaalsContact C-N 3.31Å |
| 64 | L | 82.4 | Confident | 83.4 | Confident | 87 Ų | 87 | 72 Ų | 72 | 46% | 0.455 | 37% | 0.373 | S | S | . | . | trans | -76.4 | 139.3 | 174.9 | -62.8 | 174.1 | 0 | 0 | 0 | 110.9 | C60 C62 I66 | C60-L64 PolarHBondContact N-O 3.14Å; C62-L64 VanDerWaalsContact C-N 3.3Å; C62-L64 PolarHBondContact O-N 3.44Å; L64-I66 HydrophobicContact CB-CG2 4.47Å | ||
| 65 | K | 83.3 | Confident | 83.6 | Confident | 139 Ų | 139 | 73.9 Ų | 73.9 | 60% | 0.604 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 127.1 | 172 | -59 | -165.9 | -177.1 | -173.3 | 0 | 109.7 | Q57 I58 | Q57-K65 HydrophobicContact CG-CB 3.82Å; Q57-K65 HydrophobicContact CG-CD 4.45Å; I58-K65 WeakPolarHBondContact O-CA 3.45Å |
| 66 | I | 85 | Confident | 83.4 | Confident | 24 Ų | 24 | 76.1 Ų | 76.1 | 12% | 0.123 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 153.1 | -172.1 | 59.9 | -175.2 | 0 | 0 | 0 | 109.9 | Q57 I58 C60 L64 H74 | Q57-I66 CarbonylContact C-O 3.46Å; Q57-I66 WeakPolarHBondContact CA-O 3.43Å; I58-I66 HydrophobicContact CG1-CG1 4.1Å; I58-I66 PolarHBondContact N-O 3.48Å; I58-I66 PolarHBondContact O-N 2.99Å; I58-I66 VanDerWaalsContact O-O 3.1Å; C60-I66 HydrophobicContact CB-CD1 3.79Å; C60-I66 HydrophobicContact CB-CG1 4.44Å; L64-I66 HydrophobicContact CB-CG2 4.47Å; I66-H74 HydrophobicContact CD1-CB 3.67Å |
| 67 | E | 84.6 | Confident | 83.2 | Confident | 54 Ų | 54 | 76.1 Ų | 76.1 | 25% | 0.252 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 151.8 | 172 | -68.5 | 178 | -156.2 | 0 | 0 | 111.1 | H55 N69 Q70 S71 | H55-E67 IonicContact CE1-OE2 3.03Å; H55-E67 IonicContact CG-OE2 3.83Å; H55-E67 IonicContact ND1-OE2 2.75Å; H55-E67 PolarHBondContact ND1-OE2 3.21Å; E67-N69 WeakPolarHBondContact CB-OD1 3.42Å; E67-N69 PolarHBondContact O-N 2.93Å; E67-N69 PolarHBondContact OE2-ND2 2.79Å; E67-N69 PolarHBondContact OE2-OD1 3.18Å; E67-Q70 PolarHBondContact O-N 3.14Å; E67-Q70 PolarHBondContact OE2-NE2 2.93Å; E67-S71 PolarHBondContact O-N 3.44Å; E67-S71 VanDerWaalsContact O-N 3.08Å |
| 68 | K | 85.1 | Confident | 82.7 | Confident | 83 Ų | 83 | 76.6 Ų | 76.6 | 36% | 0.361 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.7 | -40.3 | -177.5 | 176.6 | 161.8 | 153.3 | -63.4 | 0 | 112.3 | Q53 E54 T56 I58 Q70 S71 | Q53-K68 WeakPolarHBondContact O-CB 3.45Å; Q53-K68 WeakPolarHBondContact O-CD 3.42Å; Q53-K68 VanDerWaalsContact O-CE 3.32Å; Q53-K68 WeakPolarHBondContact O-CE 3.33Å; Q53-K68 VanDerWaalsContact O-CG 3.31Å; Q53-K68 WeakPolarHBondContact O-CG 3.41Å; Q53-K68 PolarHBondContact O-NZ 3.03Å; E54-K68 PolarHBondContact O-N 3.37Å; E54-K68 IonicContact OE1-NZ 2.89Å; E54-K68 PolarHBondContact OE1-NZ 3.25Å; T56-K68 PolarHBondContact O-N 3.43Å; I58-K68 HydrophobicContact CG2-CB 4.45Å; K68-Q70 VanDerWaalsContact C-N 3.28Å; K68-Q70 PolarHBondContact O-N 2.76Å; K68-S71 VanDerWaalsContact O-CB 3.29Å; K68-S71 WeakPolarHBondContact O-CB 3.12Å; K68-S71 PolarHBondContact O-N 3.39Å; K68-S71 PolarHBondContact O-OG 3.17Å |
| 69 | N | 78.8 | Confident | 82.8 | Confident | 50 Ų | 50 | 74 Ų | 74 | 27% | 0.267 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -55.3 | -40.8 | 174.7 | 57 | 15.1 | 0 | 0 | 0 | 113 | E54 H55 E67 S71 | E54-N69 HydrophobicContact CB-CB 4.21Å; E54-N69 WeakPolarHBondContact O-CB 3.36Å; E54-N69 VanDerWaalsContact O-CG 3.27Å; E54-N69 PolarHBondContact O-N 3.3Å; H55-N69 PolarHBondContact CE1-ND2 2.93Å; H55-N69 PolarHBondContact ND1-ND2 3.01Å; H55-N69 VanDerWaalsContact ND1-ND2 3.16Å; E67-N69 WeakPolarHBondContact CB-OD1 3.42Å; E67-N69 PolarHBondContact O-N 2.93Å; E67-N69 PolarHBondContact OE2-ND2 2.79Å; E67-N69 PolarHBondContact OE2-OD1 3.18Å; N69-S71 VanDerWaalsContact C-N 3.33Å |
| 70 | Q | 79.5 | Confident | 82.5 | Confident | 105 Ų | 105 | 72.1 Ų | 72.1 | 49% | 0.491 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -85.6 | -6.7 | -179.8 | -74.2 | 158.5 | 84.3 | 0 | 0 | 112.3 | E67 K68 E72 V73 H74 | E67-Q70 PolarHBondContact O-N 3.14Å; E67-Q70 PolarHBondContact OE2-NE2 2.93Å; K68-Q70 VanDerWaalsContact C-N 3.28Å; K68-Q70 PolarHBondContact O-N 2.76Å; Q70-E72 PolarHBondContact O-N 3.39Å; Q70-V73 PolarHBondContact O-N 3.12Å; Q70-H74 VanDerWaalsContact O-CB 3.31Å; Q70-H74 WeakPolarHBondContact O-CB 3.43Å; Q70-H74 PolarHBondContact O-N 3.31Å |
| 71 | S | 83.1 | Confident | 82.4 | Confident | 15 Ų | 15 | 75.6 Ų | 75.6 | 11% | 0.105 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -70.5 | -31.5 | -170.4 | 71.7 | 0 | 0 | 0 | 0 | 114.6 | E67 K68 N69 Q75 | E67-S71 PolarHBondContact O-N 3.44Å; E67-S71 VanDerWaalsContact O-N 3.08Å; K68-S71 VanDerWaalsContact O-CB 3.29Å; K68-S71 WeakPolarHBondContact O-CB 3.12Å; K68-S71 PolarHBondContact O-N 3.39Å; K68-S71 PolarHBondContact O-OG 3.17Å; N69-S71 VanDerWaalsContact C-N 3.33Å; S71-Q75 VanDerWaalsContact O-CB 3.3Å; S71-Q75 WeakPolarHBondContact O-CB 3.46Å; S71-Q75 WeakPolarHBondContact O-CG 3.5Å; S71-Q75 PolarHBondContact O-N 3.1Å; S71-Q75 PolarHBondContact O-NE2 2.88Å |
| 72 | E | 83.6 | Confident | 82.8 | Confident | 153 Ų | 153 | 69.6 Ų | 69.6 | 72% | 0.715 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -73.8 | -43.4 | 174.3 | -175 | 175.2 | -163.6 | 0 | 0 | 111.2 | Q70 H74 Q75 S76 | Q70-E72 PolarHBondContact O-N 3.39Å; E72-H74 VanDerWaalsContact C-N 3.32Å; E72-H74 PolarHBondContact O-N 3.34Å; E72-Q75 PolarHBondContact O-N 3.12Å; E72-S76 WeakPolarHBondContact O-CB 3.41Å; E72-S76 PolarHBondContact O-N 3.19Å; E72-S76 PolarHBondContact O-OG 3.26Å |
| 73 | V | 84.4 | Confident | 83.1 | Confident | 80 Ų | 80 | 73.1 Ų | 73.1 | 49% | 0.485 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -60.4 | -44.4 | 175.2 | -178.5 | 0 | 0 | 0 | 0 | 110.4 | Q70 S76 S77 | Q70-V73 PolarHBondContact O-N 3.12Å; V73-S76 PolarHBondContact O-OG 3.4Å; V73-S77 WeakPolarHBondContact O-CB 3.33Å; V73-S77 PolarHBondContact O-N 3.26Å; V73-S77 PolarHBondContact O-OG 3.18Å |
| 74 | H | 85.8 | Confident | 83.5 | Confident | 8 Ų | 8 | 72.6 Ų | 72.6 | 4% | 0.037 | 37% | 0.37 | C | S | . | . | I | π-helix | trans | -61.6 | -53.3 | 175.1 | -173.5 | 76.1 | 0 | 0 | 0 | 111.3 | C62 I66 Q70 E72 S76 S77 E78 C79 | C62-H74 PolarHBondContact SG-NE2 2.86Å; I66-H74 HydrophobicContact CD1-CB 3.67Å; Q70-H74 VanDerWaalsContact O-CB 3.31Å; Q70-H74 WeakPolarHBondContact O-CB 3.43Å; Q70-H74 PolarHBondContact O-N 3.31Å; E72-H74 VanDerWaalsContact C-N 3.32Å; E72-H74 PolarHBondContact O-N 3.34Å; H74-S76 VanDerWaalsContact C-N 3.26Å; H74-S76 PolarHBondContact O-N 3.13Å; H74-S77 PolarHBondContact O-N 3.16Å; H74-E78 IonicContact CE1-OE2 3.79Å; H74-E78 IonicContact CG-OE2 3.74Å; H74-E78 WeakPolarHBondContact ND1-CB 3.26Å; H74-E78 IonicContact ND1-OE2 2.82Å; H74-E78 PolarHBondContact ND1-OE2 3.35Å; H74-E78 PolarHBondContact O-N 3.27Å; H74-C79 WeakPolarHBondContact O-CB 3.42Å; H74-C79 PolarHBondContact O-N 3.09Å |
| 75 | Q | 84.5 | Confident | 83.8 | Confident | 98 Ų | 98 | 72.1 Ų | 72.1 | 46% | 0.458 | 37% | 0.372 | S | S | . | . | I | π-helix | trans | -58.4 | -35.5 | -178.4 | -79.2 | 173 | 91.2 | 0 | 0 | 113.4 | S71 E72 R82 | S71-Q75 VanDerWaalsContact O-CB 3.3Å; S71-Q75 WeakPolarHBondContact O-CB 3.46Å; S71-Q75 WeakPolarHBondContact O-CG 3.5Å; S71-Q75 PolarHBondContact O-N 3.1Å; S71-Q75 PolarHBondContact O-NE2 2.88Å; E72-Q75 PolarHBondContact O-N 3.12Å; Q75-R82 VanDerWaalsContact O-CB 3.27Å; Q75-R82 WeakPolarHBondContact O-CB 3.5Å |
| 76 | S | 80.5 | Confident | 84.1 | Confident | 74 Ų | 74 | 65.8 Ų | 65.8 | 52% | 0.517 | 35% | 0.345 | S | S | . | . | I | π-helix | trans | -85 | -38.3 | -179.2 | 56.8 | 0 | 0 | 0 | 0 | 114.2 | E72 V73 H74 R82 | E72-S76 WeakPolarHBondContact O-CB 3.41Å; E72-S76 PolarHBondContact O-N 3.19Å; E72-S76 PolarHBondContact O-OG 3.26Å; V73-S76 PolarHBondContact O-OG 3.4Å; H74-S76 VanDerWaalsContact C-N 3.26Å; H74-S76 PolarHBondContact O-N 3.13Å; S76-R82 VanDerWaalsContact O-CD 3.3Å; S76-R82 WeakPolarHBondContact O-CD 3.49Å; S76-R82 PolarHBondContact O-NH1 3.41Å |
| 77 | S | 81.3 | Confident | 84 | Confident | 59 Ų | 59 | 68.5 Ų | 68.5 | 41% | 0.413 | 36% | 0.364 | S | S | . | . | I | π-helix | trans | -114.4 | -38 | -167.4 | 71.6 | 0 | 0 | 0 | 0 | 115.6 | V73 H74 R82 | V73-S77 WeakPolarHBondContact O-CB 3.33Å; V73-S77 PolarHBondContact O-N 3.26Å; V73-S77 PolarHBondContact O-OG 3.18Å; H74-S77 PolarHBondContact O-N 3.16Å; S77-R82 PolarHBondContact O-NH1 2.75Å |
| 78 | E | 78.1 | Confident | 83.9 | Confident | 128 Ų | 128 | 67.9 Ų | 67.9 | 60% | 0.598 | 36% | 0.36 | S | S | * | . | I | π-helix | trans | -106.3 | -29.2 | -170.5 | -58.6 | -180 | 160.7 | 0 | 0 | 114.1 | H74 | H74-E78 IonicContact CE1-OE2 3.79Å; H74-E78 IonicContact CG-OE2 3.74Å; H74-E78 WeakPolarHBondContact ND1-CB 3.26Å; H74-E78 IonicContact ND1-OE2 2.82Å; H74-E78 PolarHBondContact ND1-OE2 3.35Å; H74-E78 PolarHBondContact O-N 3.27Å |
| 79 | C | 87.1 | Confident | 83.8 | Confident | 6 Ų | 6 | 66.5 Ų | 66.5 | 4% | 0.041 | 36% | 0.36 | C | S | . | . | trans | -62.7 | 122.1 | -168.1 | 179.3 | 0 | 0 | 0 | 0 | 110.7 | H74 Q81 R82 | H74-C79 WeakPolarHBondContact O-CB 3.42Å; H74-C79 PolarHBondContact O-N 3.09Å; C79-Q81 PolarHBondContact O-N 2.79Å; C79-Q81 PolarHBondContact SG-N 2.73Å; C79-Q81 VanDerWaalsContact SG-N 3.41Å; C79-R82 HydrophobicContact CB-CB 4.34Å; C79-R82 WeakPolarHBondContact O-CB 3.46Å; C79-R82 VanDerWaalsContact O-CG 3.24Å; C79-R82 WeakPolarHBondContact O-CG 3.41Å; C79-R82 PolarHBondContact O-N 3.34Å | ||
| 80 | P | 80.4 | Confident | 84 | Confident | 53 Ų | 53 | 71.4 Ų | 71.4 | 34% | 0.344 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -8.3 | 178.7 | 29.6 | -36.2 | 0 | 0 | 0 | 112.8 | C62 S96 | C62-P80 HydrophobicContact CB-CG 3.98Å; P80-S96 PolarHBondContact O-N 3.08Å |
| 81 | Q | 83.3 | Confident | 84.3 | Confident | 86 Ų | 86 | 70.8 Ų | 70.8 | 40% | 0.402 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | 6.8 | 175.3 | -62.1 | -60.9 | -82.9 | 0 | 0 | 113.9 | C62 C79 V94 S96 | C62-Q81 HydrophobicContact CB-CB 4.27Å; C62-Q81 HydrophobicContact CB-CG 3.88Å; C79-Q81 PolarHBondContact O-N 2.79Å; C79-Q81 PolarHBondContact SG-N 2.73Å; C79-Q81 VanDerWaalsContact SG-N 3.41Å; Q81-V94 HydrophobicContact CB-CG1 4.39Å; Q81-S96 PolarHBondContact NE2-OG 2.83Å |
| 82 | R | 89.1 | Confident | 84.7 | Confident | 71 Ų | 71 | 76.5 Ų | 76.5 | 27% | 0.268 | 41% | 0.406 | S | S | . | . | trans | -62.1 | 146.8 | 173.7 | 74.1 | -173.5 | 175.8 | 150.5 | -3.1 | 111 | Q75 S76 S77 C79 V84 F95 | Q75-R82 VanDerWaalsContact O-CB 3.27Å; Q75-R82 WeakPolarHBondContact O-CB 3.5Å; S76-R82 VanDerWaalsContact O-CD 3.3Å; S76-R82 WeakPolarHBondContact O-CD 3.49Å; S76-R82 PolarHBondContact O-NH1 3.41Å; S77-R82 PolarHBondContact O-NH1 2.75Å; C79-R82 HydrophobicContact CB-CB 4.34Å; C79-R82 WeakPolarHBondContact O-CB 3.46Å; C79-R82 VanDerWaalsContact O-CG 3.24Å; C79-R82 WeakPolarHBondContact O-CG 3.41Å; C79-R82 PolarHBondContact O-N 3.34Å; R82-V84 HydrophobicContact CG-CG2 4.13Å; R82-F95 HydrophobicContact CG-CB 3.74Å; R82-F95 HydrophobicContact CG-CG 4.32Å; R82-F95 WeakPolarHBondContact O-CB 3.31Å; R82-F95 PolarHBondContact O-N 2.97Å | ||
| 83 | L | 86.3 | Confident | 84.8 | Confident | 107 Ų | 107 | 70.5 Ų | 70.5 | 56% | 0.56 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 136.2 | 174.5 | -62.8 | 177.1 | 0 | 0 | 0 | 110.5 | L93 V94 | L83-L93 CarbonylContact C-O 3.35Å; L83-L93 WeakPolarHBondContact CA-O 3.36Å; L83-V94 HydrophobicContact CD2-CG2 4.2Å |
| 84 | V | 87.9 | Confident | 84.9 | Confident | 44 Ų | 44 | 68.1 Ų | 68.1 | 27% | 0.267 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 129.7 | 177.5 | -176.9 | 0 | 0 | 0 | 0 | 108.3 | R82 L93 F95 | R82-V84 HydrophobicContact CG-CG2 4.13Å; V84-L93 PolarHBondContact N-O 3.16Å; V84-L93 PolarHBondContact O-N 3.16Å; V84-F95 HydrophobicContact CG2-CB 4.26Å; V84-F95 HydrophobicContact CG2-CD2 4.02Å |
| 85 | P | 88.6 | Confident | 85 | Confident | 77 Ų | 77 | 72.2 Ų | 72.2 | 50% | 0.5 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 138.5 | 177.8 | 29.3 | -34.5 | 0 | 0 | 0 | 111.7 | L91 | P85-L91 WeakPolarHBondContact CA-O 3.31Å |
| 86 | C | 88.8 | Confident | 85 | Confident | 6 Ų | 6 | 71.1 Ų | 71.1 | 4% | 0.041 | 39% | 0.385 | C | S | . | . | trans | -65.9 | 129.2 | 174.2 | 176.1 | 0 | 0 | 0 | 0 | 111.3 | Y88 C89 E90 L91 L93 H101 | C86-Y88 PolarHBondContact O-N 2.79Å; C86-Y88 PolarHBondContact SG-N 2.86Å; C86-C89 VanDerWaalsContact CB-SG 3.54Å; C86-E90 VanDerWaalsContact O-CA 3.27Å; C86-E90 WeakPolarHBondContact O-CA 3.29Å; C86-E90 PolarHBondContact O-N 3.28Å; C86-L91 PolarHBondContact N-O 2.94Å; C86-L93 HydrophobicContact CB-CD1 4.17Å; C86-H101 VanDerWaalsContact SG-CD2 3.57Å | ||
| 87 | P | 84.1 | Confident | 85.2 | Confident | 81 Ų | 81 | 73 Ų | 73 | 53% | 0.526 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -11 | -179 | 28.6 | -36.6 | 0 | 0 | 0 | 114.2 | E102 | P87-E102 HydrophobicContact CG-CG 4.3Š|
| 88 | Y | 82 | Confident | 85.6 | Confident | 42 Ų | 42 | 71.2 Ų | 71.2 | 17% | 0.165 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106 | -27.5 | -176.5 | -54.4 | -47.9 | 0 | 0 | 0 | 114.5 | C86 E102 R122 K124 | C86-Y88 PolarHBondContact O-N 2.79Å; C86-Y88 PolarHBondContact SG-N 2.86Å; Y88-E102 HydrophobicContact CD2-CG 4.15Å; Y88-E102 HydrophobicContact CE2-CG 3.47Å; Y88-E102 VanDerWaalsContact CE2-CG 3.47Å; Y88-E102 PolarHBondContact OH-OE1 3.24Å; Y88-R122 HydrophobicContact CD1-CB 4.45Å; Y88-R122 HydrophobicContact CE1-CB 3.8Å; Y88-R122 HydrophobicContact CE2-CB 4.28Å; Y88-K124 PolarHBondContact O-NZ 2.92Å |
| 89 | C | 83.1 | Confident | 86 | Confident | 54 Ų | 54 | 72 Ų | 72 | 37% | 0.365 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -136 | 3.6 | -177.3 | 70.4 | 0 | 0 | 0 | 0 | 114.8 | C86 L91 H101 | C86-C89 VanDerWaalsContact CB-SG 3.54Å; C89-L91 PolarHBondContact O-N 3.15Å; C89-H101 PolarHBondContact SG-NE2 3.5Å |
| 90 | E | 83.4 | Confident | 86.2 | Confident | 153 Ų | 153 | 79 Ų | 79 | 72% | 0.715 | 41% | 0.407 | S | S | * | . | trans | 62.1 | 2.5 | 175.7 | -66.4 | 159 | -138.2 | 0 | 0 | 115.8 | C86 E92 | C86-E90 VanDerWaalsContact O-CA 3.27Å; C86-E90 WeakPolarHBondContact O-CA 3.29Å; C86-E90 PolarHBondContact O-N 3.28Å; E90-E92 PolarHBondContact O-N 2.61Å | ||
| 91 | L | 85.7 | Confident | 86.6 | Confident | 92 Ų | 92 | 78.6 Ų | 78.6 | 48% | 0.482 | 40% | 0.401 | S | S | . | . | trans | -62.1 | 127.4 | 174.3 | -175.8 | 65.1 | 0 | 0 | 0 | 111.6 | P85 C86 C89 L93 | P85-L91 WeakPolarHBondContact CA-O 3.31Å; C86-L91 PolarHBondContact N-O 2.94Å; C89-L91 PolarHBondContact O-N 3.15Å; L91-L93 HydrophobicContact CD2-CD2 3.93Å; L91-L93 HydrophobicContact CD2-CG 4.33Å; L91-L93 HydrophobicContact CG-CD2 4.15Å; L91-L93 HydrophobicContact CG-CG 4.18Å | ||
| 92 | E | 90.1 | Very high | 86.9 | Confident | 135 Ų | 135 | 78.2 Ų | 78.2 | 63% | 0.631 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 127 | 174.5 | -62 | -172 | 144.5 | 0 | 0 | 111.2 | E90 | E90-E92 PolarHBondContact O-N 2.61Å |
| 93 | L | 85.8 | Confident | 86.9 | Confident | 26 Ų | 26 | 79.6 Ų | 79.6 | 14% | 0.136 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 145.9 | -172.1 | -68 | 166.3 | 0 | 0 | 0 | 112 | L83 V84 C86 L91 F95 H101 | L83-L93 CarbonylContact C-O 3.35Å; L83-L93 WeakPolarHBondContact CA-O 3.36Å; V84-L93 PolarHBondContact N-O 3.16Å; V84-L93 PolarHBondContact O-N 3.16Å; C86-L93 HydrophobicContact CB-CD1 4.17Å; L91-L93 HydrophobicContact CD2-CD2 3.93Å; L91-L93 HydrophobicContact CD2-CG 4.33Å; L91-L93 HydrophobicContact CG-CD2 4.15Å; L91-L93 HydrophobicContact CG-CG 4.18Å; L93-F95 PolarHBondContact O-N 3.04Å; L93-H101 HydrophobicContact CD1-CB 3.54Å; L93-H101 WeakPolarHBondContact CD1-CD2 3.03Å |
| 94 | V | 87.4 | Confident | 87.1 | Confident | 31 Ų | 31 | 82.7 Ų | 82.7 | 19% | 0.188 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 127.9 | 173.8 | -169.6 | 0 | 0 | 0 | 0 | 109.6 | Q81 L83 S96 Q97 S98 | Q81-V94 HydrophobicContact CB-CG1 4.39Å; L83-V94 HydrophobicContact CD2-CG2 4.2Å; V94-S96 PolarHBondContact O-N 3.02Å; V94-S96 VanDerWaalsContact O-N 3.09Å; V94-Q97 CarbonylContact O-C 3.5Å; V94-Q97 WeakPolarHBondContact O-CA 3.45Å; V94-Q97 PolarHBondContact O-N 3.37Å; V94-S98 PolarHBondContact O-N 3.43Å |
| 95 | F | 87.5 | Confident | 87.1 | Confident | 94 Ų | 94 | 80.9 Ų | 80.9 | 41% | 0.412 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -56 | -29.7 | -174.5 | 179.7 | -108.8 | 0 | 0 | 0 | 114.3 | R82 V84 L93 Q97 S98 | R82-F95 HydrophobicContact CG-CB 3.74Å; R82-F95 HydrophobicContact CG-CG 4.32Å; R82-F95 WeakPolarHBondContact O-CB 3.31Å; R82-F95 PolarHBondContact O-N 2.97Å; V84-F95 HydrophobicContact CG2-CB 4.26Å; V84-F95 HydrophobicContact CG2-CD2 4.02Å; L93-F95 PolarHBondContact O-N 3.04Å; F95-Q97 PolarHBondContact O-N 3.05Å; F95-S98 PolarHBondContact O-OG 2.82Å |
| 96 | S | 85.1 | Confident | 87 | Confident | 75 Ų | 75 | 77.2 Ų | 77.2 | 52% | 0.524 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -66.6 | -21.2 | 173 | 61.7 | 0 | 0 | 0 | 0 | 114.6 | P80 Q81 V94 | P80-S96 PolarHBondContact O-N 3.08Å; Q81-S96 PolarHBondContact NE2-OG 2.83Å; V94-S96 PolarHBondContact O-N 3.02Å; V94-S96 VanDerWaalsContact O-N 3.09Å |
| 97 | Q | 84.6 | Confident | 86.9 | Confident | 112 Ų | 112 | 80.8 Ų | 80.8 | 52% | 0.523 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -112.3 | -18.4 | -179.1 | -63.3 | 176.9 | 3.9 | 0 | 0 | 112.8 | V94 F95 K99 E100 H101 | V94-Q97 CarbonylContact O-C 3.5Å; V94-Q97 WeakPolarHBondContact O-CA 3.45Å; V94-Q97 PolarHBondContact O-N 3.37Å; F95-Q97 PolarHBondContact O-N 3.05Å; Q97-K99 PolarHBondContact O-N 3.25Å; Q97-K99 VanDerWaalsContact O-N 3.14Å; Q97-E100 PolarHBondContact O-N 3.46Å; Q97-E100 VanDerWaalsContact O-N 3.14Å; Q97-H101 PolarHBondContact O-N 2.66Å; Q97-H101 VanDerWaalsContact O-N 3.1Å |
| 98 | S | 88.9 | Confident | 87 | Confident | 22 Ų | 22 | 83.6 Ų | 83.6 | 15% | 0.154 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -59.3 | -30.7 | -173.4 | 70 | 0 | 0 | 0 | 0 | 113.1 | V94 F95 E102 | V94-S98 PolarHBondContact O-N 3.43Å; F95-S98 PolarHBondContact O-OG 2.82Å; S98-E102 WeakPolarHBondContact O-CB 3.32Å; S98-E102 PolarHBondContact O-N 3.32Å |
| 99 | K | 86.9 | Confident | 87.3 | Confident | 144 Ų | 144 | 84.9 Ų | 84.9 | 63% | 0.626 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -69.1 | -47.2 | 175.7 | -173.3 | -172.1 | 173.4 | -170.8 | 0 | 112.9 | Q97 H101 E102 D103 | Q97-K99 PolarHBondContact O-N 3.25Å; Q97-K99 VanDerWaalsContact O-N 3.14Å; K99-H101 PolarHBondContact O-N 2.89Å; K99-E102 WeakPolarHBondContact O-CB 3.43Å; K99-E102 PolarHBondContact O-N 2.86Å; K99-D103 PolarHBondContact O-N 2.8Å |
| 100 | E | 90.3 | Very high | 87.3 | Confident | 155 Ų | 155 | 86.1 Ų | 86.1 | 72% | 0.724 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -61.9 | -38.5 | 178 | -178.4 | 175.8 | -168.1 | 0 | 0 | 110.5 | Q97 Y104 | Q97-E100 PolarHBondContact O-N 3.46Å; Q97-E100 VanDerWaalsContact O-N 3.14Å; E100-Y104 WeakPolarHBondContact O-CB 3.23Å; E100-Y104 PolarHBondContact O-N 2.97Å |
| 101 | H | 90.1 | Very high | 87.3 | Confident | 44 Ų | 44 | 83 Ų | 83 | 20% | 0.204 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -67.3 | -38.5 | 170.3 | -173.4 | 103.5 | 0 | 0 | 0 | 112.9 | C86 C89 L93 Q97 K99 Y104 C105 | C86-H101 VanDerWaalsContact SG-CD2 3.57Å; C89-H101 PolarHBondContact SG-NE2 3.5Å; L93-H101 HydrophobicContact CD1-CB 3.54Å; L93-H101 WeakPolarHBondContact CD1-CD2 3.03Å; Q97-H101 PolarHBondContact O-N 2.66Å; Q97-H101 VanDerWaalsContact O-N 3.1Å; K99-H101 PolarHBondContact O-N 2.89Å; H101-Y104 PolarHBondContact O-N 2.67Å; H101-C105 WeakPolarHBondContact NE2-CB 3.18Å; H101-C105 WeakPolarHBondContact O-CA 3.49Å; H101-C105 WeakPolarHBondContact O-CB 3.43Å; H101-C105 PolarHBondContact O-N 2.79Å |
| 102 | E | 89.8 | Confident | 87.3 | Confident | 78 Ų | 78 | 79.5 Ų | 79.5 | 36% | 0.364 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.7 | -45.2 | 176.9 | -174.2 | -177 | 167.7 | 0 | 0 | 111 | P87 Y88 S98 K99 G106 | P87-E102 HydrophobicContact CG-CG 4.3Å; Y88-E102 HydrophobicContact CD2-CG 4.15Å; Y88-E102 HydrophobicContact CE2-CG 3.47Å; Y88-E102 VanDerWaalsContact CE2-CG 3.47Å; Y88-E102 PolarHBondContact OH-OE1 3.24Å; S98-E102 WeakPolarHBondContact O-CB 3.32Å; S98-E102 PolarHBondContact O-N 3.32Å; K99-E102 WeakPolarHBondContact O-CB 3.43Å; K99-E102 PolarHBondContact O-N 2.86Å; E102-G106 WeakPolarHBondContact O-CA 3.21Å; E102-G106 PolarHBondContact O-N 3.4Å |
| 103 | D | 89.1 | Confident | 86.8 | Confident | 100 Ų | 100 | 78.7 Ų | 78.7 | 54% | 0.535 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -62.1 | -48.9 | 175.8 | -74.9 | -42.5 | 0 | 0 | 0 | 111 | K99 T107 | K99-D103 PolarHBondContact O-N 2.8Å; D103-T107 WeakPolarHBondContact O-CG2 3.18Å; D103-T107 PolarHBondContact O-N 3.43Å |
| 104 | Y | 89.4 | Confident | 86.4 | Confident | 172 Ų | 172 | 84 Ų | 84 | 68% | 0.675 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -63.5 | -53.9 | 177.4 | 175.3 | -110.4 | 0 | 0 | 0 | 112.7 | E100 H101 G106 T107 R108 | E100-Y104 WeakPolarHBondContact O-CB 3.23Å; E100-Y104 PolarHBondContact O-N 2.97Å; H101-Y104 PolarHBondContact O-N 2.67Å; Y104-G106 VanDerWaalsContact C-N 3.3Å; Y104-G106 PolarHBondContact O-N 3.35Å; Y104-T107 PolarHBondContact O-N 2.89Å; Y104-T107 PolarHBondContact O-OG1 2.92Å; Y104-R108 PolarHBondContact O-N 3.32Å |
| 105 | C | 89 | Confident | 86.1 | Confident | 5 Ų | 5 | 84.5 Ų | 84.5 | 3% | 0.034 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -65.7 | -32.7 | -177.6 | -164.9 | 0 | 0 | 0 | 0 | 112 | H101 T107 R108 L121 | H101-C105 WeakPolarHBondContact NE2-CB 3.18Å; H101-C105 WeakPolarHBondContact O-CA 3.49Å; H101-C105 WeakPolarHBondContact O-CB 3.43Å; H101-C105 PolarHBondContact O-N 2.79Å; C105-T107 VanDerWaalsContact C-N 3.25Å; C105-T107 PolarHBondContact O-N 2.86Å; C105-R108 WeakPolarHBondContact O-CB 3.41Å; C105-R108 PolarHBondContact O-N 2.96Å; C105-L121 VanDerWaalsContact O-CB 3.23Å; C105-L121 WeakPolarHBondContact O-CB 3.45Å |
| 106 | G | 86.1 | Confident | 85.8 | Confident | 1 Ų | 1 | 88.3 Ų | 88.3 | 1% | 0.01 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -64 | -28.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | E102 Y104 R122 | E102-G106 WeakPolarHBondContact O-CA 3.21Å; E102-G106 PolarHBondContact O-N 3.4Å; Y104-G106 VanDerWaalsContact C-N 3.3Å; Y104-G106 PolarHBondContact O-N 3.35Å; G106-R122 WeakPolarHBondContact O-CD 3.42Å; G106-R122 WeakPolarHBondContact O-CG 3.43Å; G106-R122 PolarHBondContact O-N 3.42Å |
| 107 | T | 86.4 | Confident | 85.5 | Confident | 80 Ų | 80 | 87.8 Ų | 87.8 | 49% | 0.491 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -87.7 | -19 | 175.8 | 65.6 | 0 | 0 | 0 | 0 | 114.9 | D103 Y104 C105 T109 M120 | D103-T107 WeakPolarHBondContact O-CG2 3.18Å; D103-T107 PolarHBondContact O-N 3.43Å; Y104-T107 PolarHBondContact O-N 2.89Å; Y104-T107 PolarHBondContact O-OG1 2.92Å; C105-T107 VanDerWaalsContact C-N 3.25Å; C105-T107 PolarHBondContact O-N 2.86Å; T107-T109 PolarHBondContact O-N 3.46Å; T107-M120 HydrophobicContact CG2-CE 3.93Å |
| 108 | R | 86.6 | Confident | 85.5 | Confident | 141 Ų | 141 | 88 Ų | 88 | 53% | 0.532 | 45% | 0.449 | S | S | . | . | trans | -52.8 | 135.7 | 170 | 173.5 | 177.6 | 161.2 | 146.7 | -9 | 109.2 | Y104 C105 E110 M120 L121 | Y104-R108 PolarHBondContact O-N 3.32Å; C105-R108 WeakPolarHBondContact O-CB 3.41Å; C105-R108 PolarHBondContact O-N 2.96Å; R108-E110 IonicContact CZ-OE1 3.19Å; R108-E110 IonicContact NE-OE1 2.88Å; R108-E110 PolarHBondContact NE-OE1 3.02Å; R108-E110 IonicContact NH2-OE1 2.67Å; R108-E110 PolarHBondContact NH2-OE1 3.39Å; R108-M120 CarbonylContact O-C 3.4Å; R108-M120 WeakPolarHBondContact O-CA 3.2Å; R108-L121 HydrophobicContact CB-CD2 4.4Å; R108-L121 HydrophobicContact CG-CD1 4.27Å; R108-L121 HydrophobicContact CG-CD2 4.34Å; R108-L121 WeakPolarHBondContact O-CB 3.24Å; R108-L121 PolarHBondContact O-N 2.79Å | ||
| 109 | T | 87.4 | Confident | 85.3 | Confident | 69 Ų | 69 | 87.6 Ų | 87.6 | 42% | 0.423 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 143.9 | 176.9 | 59.1 | 0 | 0 | 0 | 0 | 111 | T107 V119 M120 | T107-T109 PolarHBondContact O-N 3.46Å; T109-V119 CarbonylContact C-O 3.5Å; T109-V119 WeakPolarHBondContact CA-O 3.26Å; T109-M120 HydrophobicContact CG2-CB 4.43Å; T109-M120 HydrophobicContact CG2-CG 3.73Å |
| 110 | E | 83.1 | Confident | 85.2 | Confident | 79 Ų | 79 | 83.4 Ų | 83.4 | 37% | 0.369 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 147.5 | 173.7 | -78.1 | 176.4 | -170.4 | 0 | 0 | 110.7 | R108 C112 V119 L121 | R108-E110 IonicContact CZ-OE1 3.19Å; R108-E110 IonicContact NE-OE1 2.88Å; R108-E110 PolarHBondContact NE-OE1 3.02Å; R108-E110 IonicContact NH2-OE1 2.67Å; R108-E110 PolarHBondContact NH2-OE1 3.39Å; E110-C112 PolarHBondContact O-N 3.31Å; E110-V119 PolarHBondContact N-O 3.06Å; E110-V119 PolarHBondContact O-N 3.28Å; E110-L121 HydrophobicContact CB-CD1 3.93Å; E110-L121 HydrophobicContact CG-CD1 3.68Å |
| 111 | P | 84.1 | Confident | 85 | Confident | 89 Ų | 89 | 76.3 Ų | 76.3 | 58% | 0.578 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 123.8 | -175.8 | 29.1 | -34.3 | 0 | 0 | 0 | 110.9 | ||
| 112 | C | 84.9 | Confident | 84.8 | Confident | 18 Ų | 18 | 80.9 Ų | 80.9 | 12% | 0.122 | 41% | 0.412 | C | S | . | . | trans | -66.4 | 131.2 | 175.2 | 177.8 | 0 | 0 | 0 | 0 | 110.7 | E110 N114 C115 K116 C117 V119 C131 | E110-C112 PolarHBondContact O-N 3.31Å; C112-N114 PolarHBondContact O-N 3.34Å; C112-C115 WeakPolarHBondContact CB-SG 3.38Å; C112-K116 WeakPolarHBondContact O-CA 3.46Å; C112-K116 PolarHBondContact O-N 2.99Å; C112-C117 PolarHBondContact N-O 2.85Å; C112-V119 HydrophobicContact CB-CG2 3.98Å; C112-C131 VanDerWaalsContact SG-SG 3.61Å | ||
| 113 | P | 80.3 | Confident | 84.3 | Confident | 118 Ų | 118 | 81.7 Ų | 81.7 | 77% | 0.766 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -26.4 | -178.6 | 24.5 | -34.8 | 0 | 0 | 0 | 113.7 | ||
| 114 | N | 77.9 | Confident | 83.9 | Confident | 138 Ų | 138 | 81.5 Ų | 81.5 | 74% | 0.738 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -46.3 | -174.8 | -65 | -16.8 | 0 | 0 | 0 | 113 | C112 | C112-N114 PolarHBondContact O-N 3.34Š|
| 115 | C | 81.4 | Confident | 83.4 | Confident | 40 Ų | 40 | 77.4 Ų | 77.4 | 27% | 0.27 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | -10.4 | -176.2 | 71 | 0 | 0 | 0 | 0 | 114.3 | C112 C117 H127 | C112-C115 WeakPolarHBondContact CB-SG 3.38Å; C115-C117 PolarHBondContact O-N 2.84Å; C115-H127 PolarHBondContact SG-NE2 3.04Å |
| 116 | K | 80.3 | Confident | 83 | Confident | 174 Ų | 174 | 81.3 Ų | 81.3 | 76% | 0.757 | 44% | 0.435 | S | S | * | . | trans | 59.4 | 2.5 | -175.9 | -56.6 | -177.7 | -178.6 | 179.4 | 0 | 116.1 | C112 | C112-K116 WeakPolarHBondContact O-CA 3.46Å; C112-K116 PolarHBondContact O-N 2.99Å | ||
| 117 | C | 78.8 | Confident | 82.7 | Confident | 65 Ų | 65 | 83.1 Ų | 83.1 | 44% | 0.439 | 44% | 0.443 | S | S | . | . | trans | -67.5 | 146.7 | 168.1 | -55.9 | 0 | 0 | 0 | 0 | 110.4 | C112 C115 | C112-C117 PolarHBondContact N-O 2.85Å; C115-C117 PolarHBondContact O-N 2.84Å | ||
| 118 | N | 84.8 | Confident | 82.3 | Confident | 115 Ų | 115 | 83.6 Ų | 83.6 | 62% | 0.615 | 45% | 0.447 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 127.2 | 171 | -66.7 | -31.6 | 0 | 0 | 0 | 109.4 | ||
| 119 | V | 84.3 | Confident | 81.8 | Confident | 14 Ų | 14 | 82.7 Ų | 82.7 | 9% | 0.085 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 134.8 | -174.5 | -179.3 | 0 | 0 | 0 | 0 | 109 | T109 E110 C112 E123 H127 | T109-V119 CarbonylContact C-O 3.5Å; T109-V119 WeakPolarHBondContact CA-O 3.26Å; E110-V119 PolarHBondContact N-O 3.06Å; E110-V119 PolarHBondContact O-N 3.28Å; C112-V119 HydrophobicContact CB-CG2 3.98Å; V119-E123 HydrophobicContact CG1-CB 4.25Å; V119-H127 HydrophobicContact CG1-CB 3.65Å; V119-H127 HydrophobicContact CG2-CB 4.47Å; V119-H127 WeakPolarHBondContact CG2-ND1 3.3Å |
| 120 | M | 86.2 | Confident | 80.9 | Confident | 57 Ų | 57 | 84.1 Ų | 84.1 | 28% | 0.281 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 140.5 | 178.3 | -66.1 | 174.1 | 75 | 0 | 0 | 111 | T107 R108 T109 R122 E123 K124 | T107-M120 HydrophobicContact CG2-CE 3.93Å; R108-M120 CarbonylContact O-C 3.4Å; R108-M120 WeakPolarHBondContact O-CA 3.2Å; T109-M120 HydrophobicContact CG2-CB 4.43Å; T109-M120 HydrophobicContact CG2-CG 3.73Å; M120-R122 HydrophobicContact CB-CG 4.3Å; M120-R122 PolarHBondContact O-N 3.37Å; M120-E123 HydrophobicContact CB-CB 4.28Å; M120-E123 HydrophobicContact CB-CG 4.12Å; M120-E123 CarbonylContact O-C 3.59Å; M120-E123 WeakPolarHBondContact O-CA 3.24Å; M120-E123 PolarHBondContact O-N 3.35Å; M120-K124 PolarHBondContact O-N 3.45Å |
| 121 | L | 84.9 | Confident | 80.4 | Confident | 5 Ų | 5 | 82 Ų | 82 | 3% | 0.026 | 46% | 0.455 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -30 | -176.7 | -112.1 | 64.6 | 0 | 0 | 0 | 113.2 | C105 R108 E110 E123 K124 | C105-L121 VanDerWaalsContact O-CB 3.23Å; C105-L121 WeakPolarHBondContact O-CB 3.45Å; R108-L121 HydrophobicContact CB-CD2 4.4Å; R108-L121 HydrophobicContact CG-CD1 4.27Å; R108-L121 HydrophobicContact CG-CD2 4.34Å; R108-L121 WeakPolarHBondContact O-CB 3.24Å; R108-L121 PolarHBondContact O-N 2.79Å; E110-L121 HydrophobicContact CB-CD1 3.93Å; E110-L121 HydrophobicContact CG-CD1 3.68Å; L121-E123 VanDerWaalsContact C-N 3.3Å; L121-K124 HydrophobicContact CG-CD 4.41Å; L121-K124 WeakPolarHBondContact O-CD 3.17Å; L121-K124 WeakPolarHBondContact O-CG 3.44Å |
| 122 | R | 85.4 | Confident | 79.5 | Confident | 141 Ų | 141 | 80.6 Ų | 80.6 | 53% | 0.532 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -21.7 | 171.2 | 74.3 | -160.8 | -52.7 | -93.1 | 1.9 | 114.3 | Y88 G106 M120 | Y88-R122 HydrophobicContact CD1-CB 4.45Å; Y88-R122 HydrophobicContact CE1-CB 3.8Å; Y88-R122 HydrophobicContact CE2-CB 4.28Å; G106-R122 WeakPolarHBondContact O-CD 3.42Å; G106-R122 WeakPolarHBondContact O-CG 3.43Å; G106-R122 PolarHBondContact O-N 3.42Å; M120-R122 HydrophobicContact CB-CG 4.3Å; M120-R122 PolarHBondContact O-N 3.37Å |
| 123 | E | 80.8 | Confident | 78.3 | Confident | 94 Ų | 94 | 83.7 Ų | 83.7 | 44% | 0.439 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100 | -10.1 | -178.9 | -60.7 | -177.7 | 172.2 | 0 | 0 | 112.6 | V119 M120 L121 A125 V126 H127 | V119-E123 HydrophobicContact CG1-CB 4.25Å; M120-E123 HydrophobicContact CB-CB 4.28Å; M120-E123 HydrophobicContact CB-CG 4.12Å; M120-E123 CarbonylContact O-C 3.59Å; M120-E123 WeakPolarHBondContact O-CA 3.24Å; M120-E123 PolarHBondContact O-N 3.35Å; L121-E123 VanDerWaalsContact C-N 3.3Å; E123-A125 PolarHBondContact O-N 2.67Å; E123-V126 PolarHBondContact O-N 2.78Å; E123-H127 PolarHBondContact O-N 3.16Å |
| 124 | K | 79.6 | Confident | 76.8 | Confident | 97 Ų | 97 | 84 Ų | 84 | 42% | 0.422 | 47% | 0.473 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -29.1 | -179 | 82.9 | -172.7 | 178.9 | 172.7 | 0 | 114 | Y88 M120 L121 P128 | Y88-K124 PolarHBondContact O-NZ 2.92Å; M120-K124 PolarHBondContact O-N 3.45Å; L121-K124 HydrophobicContact CG-CD 4.41Å; L121-K124 WeakPolarHBondContact O-CD 3.17Å; L121-K124 WeakPolarHBondContact O-CG 3.44Å; K124-P128 VanDerWaalsContact O-CD 3.27Å; K124-P128 WeakPolarHBondContact O-CD 3.19Å |
| 125 | A | 80 | Confident | 75.3 | Confident | 85 Ų | 85 | 83.2 Ų | 83.2 | 70% | 0.702 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -26 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114 | E123 | E123-A125 PolarHBondContact O-N 2.67Š|
| 126 | V | 79.9 | Confident | 73.5 | Confident | 88 Ų | 88 | 86.6 Ų | 86.6 | 53% | 0.533 | 50% | 0.495 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | -33 | -179.1 | -175.5 | 0 | 0 | 0 | 0 | 111 | E123 P128 V129 | E123-V126 PolarHBondContact O-N 2.78Å; V126-P128 VanDerWaalsContact C-N 3.34Å; V126-P128 VanDerWaalsContact O-N 3.17Å; V126-V129 WeakPolarHBondContact O-CB 3.41Å; V126-V129 PolarHBondContact O-N 3.05Å |
| 127 | H | 78.8 | Confident | 71.7 | Confident | 38 Ų | 38 | 83.1 Ų | 83.1 | 18% | 0.176 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -50.3 | -38.9 | -177.7 | -176.5 | 84.3 | 0 | 0 | 0 | 115.3 | C115 V119 E123 V129 L130 C131 | C115-H127 PolarHBondContact SG-NE2 3.04Å; V119-H127 HydrophobicContact CG1-CB 3.65Å; V119-H127 HydrophobicContact CG2-CB 4.47Å; V119-H127 WeakPolarHBondContact CG2-ND1 3.3Å; E123-H127 PolarHBondContact O-N 3.16Å; H127-V129 PolarHBondContact O-N 2.79Å; H127-L130 CarbonylContact O-C 3.55Å; H127-L130 WeakPolarHBondContact O-CA 3.46Å; H127-L130 PolarHBondContact O-N 3.06Å; H127-C131 PolarHBondContact NE2-SG 3.33Å; H127-C131 VanDerWaalsContact NE2-SG 3.36Å; H127-C131 WeakPolarHBondContact O-CB 3.35Å; H127-C131 PolarHBondContact O-N 2.98Å |
| 128 | P | 78.9 | Confident | 70 | Confident | 90 Ų | 90 | 88.2 Ų | 88.2 | 58% | 0.584 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -54.6 | -27.9 | 178.1 | -29.2 | 37.4 | 0 | 0 | 0 | 114.6 | K124 V126 | K124-P128 VanDerWaalsContact O-CD 3.27Å; K124-P128 WeakPolarHBondContact O-CD 3.19Å; V126-P128 VanDerWaalsContact C-N 3.34Å; V126-P128 VanDerWaalsContact O-N 3.17Å |
| 129 | V | 76.3 | Confident | 68 | Low | 122 Ų | 122 | 91.7 Ų | 91.7 | 74% | 0.739 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -77.1 | -23.4 | 177.8 | -173.2 | 0 | 0 | 0 | 0 | 112.3 | V126 H127 | V126-V129 WeakPolarHBondContact O-CB 3.41Å; V126-V129 PolarHBondContact O-N 3.05Å; H127-V129 PolarHBondContact O-N 2.79Å |
| 130 | L | 68.8 | Low | 66 | Low | 100 Ų | 100 | 102.7 Ų | 102.7 | 52% | 0.524 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -109.4 | 4.3 | 179.1 | -56.8 | 177.1 | 0 | 0 | 0 | 112.4 | H127 G132 S133 | H127-L130 CarbonylContact O-C 3.55Å; H127-L130 WeakPolarHBondContact O-CA 3.46Å; H127-L130 PolarHBondContact O-N 3.06Å; L130-G132 PolarHBondContact O-N 3.25Å; L130-G132 VanDerWaalsContact O-N 3.14Å; L130-S133 WeakPolarHBondContact CA-OG 3.25Å; L130-S133 PolarHBondContact O-N 3Å; L130-S133 PolarHBondContact O-OG 3.41Å |
| 131 | C | 72.8 | Confident | 63.8 | Low | 35 Ų | 35 | 104.6 Ų | 104.6 | 24% | 0.236 | 57% | 0.571 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -72.8 | 110.1 | -171.9 | -164.8 | 0 | 0 | 0 | 0 | 109.9 | C112 H127 S133 | C112-C131 VanDerWaalsContact SG-SG 3.61Å; H127-C131 PolarHBondContact NE2-SG 3.33Å; H127-C131 VanDerWaalsContact NE2-SG 3.36Å; H127-C131 WeakPolarHBondContact O-CB 3.35Å; H127-C131 PolarHBondContact O-N 2.98Å; C131-S133 VanDerWaalsContact C-N 3.3Å; C131-S133 PolarHBondContact O-N 3.45Å |
| 132 | G | 65.6 | Low | 61.6 | Low | 58 Ų | 58 | 111.2 Ų | 111.2 | 60% | 0.598 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 80.7 | -1.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | L130 L134 | L130-G132 PolarHBondContact O-N 3.25Å; L130-G132 VanDerWaalsContact O-N 3.14Å; G132-L134 VanDerWaalsContact C-N 3.27Å |
| 133 | S | 58 | Low | 59.3 | Low | 84 Ų | 84 | 111.2 Ų | 111.2 | 59% | 0.587 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | -24.9 | 169.3 | 72.9 | 0 | 0 | 0 | 0 | 111.8 | L130 C131 T135 | L130-S133 WeakPolarHBondContact CA-OG 3.25Å; L130-S133 PolarHBondContact O-N 3Å; L130-S133 PolarHBondContact O-OG 3.41Å; C131-S133 VanDerWaalsContact C-N 3.3Å; C131-S133 PolarHBondContact O-N 3.45Å; S133-T135 PolarHBondContact O-N 2.93Å |
| 134 | L | 49.1 | Very low | 57.4 | Low | 125 Ų | 125 | 116.7 Ų | 116.7 | 65% | 0.654 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -78.3 | 107.5 | 155.5 | -63.1 | 178.3 | 0 | 0 | 0 | 108.6 | G132 | G132-L134 VanDerWaalsContact C-N 3.27Š|
| 135 | T | 47.4 | Very low | 55.2 | Low | 120 Ų | 120 | 119.9 Ų | 119.9 | 74% | 0.736 | 65% | 0.652 | S | S | * | * | trans | -47.8 | 138.7 | 144.9 | 48.4 | 0 | 0 | 0 | 0 | 107.9 | S133 P137 | S133-T135 PolarHBondContact O-N 2.93Å; T135-P137 VanDerWaalsContact O-N 3.14Å | ||
| 136 | P | 43.7 | Very low | 52.9 | Low | 112 Ų | 112 | 119.4 Ų | 119.4 | 73% | 0.727 | 66% | 0.656 | S | S | * | * | trans | -47.9 | 125.6 | -175.5 | -28.6 | 34.3 | 0 | 0 | 0 | 110.6 | Q138 | P136-Q138 PolarHBondContact O-N 3.45Š| ||
| 137 | P | 42.3 | Very low | 50.4 | Low | 100 Ų | 100 | 121.7 Ų | 121.7 | 65% | 0.649 | 67% | 0.674 | S | S | * | * | trans | -51.9 | 110 | 171.1 | -26.6 | 35.4 | 0 | 0 | 0 | 107.2 | T135 E139 | T135-P137 VanDerWaalsContact O-N 3.14Å; P137-E139 PolarHBondContact O-N 3.06Å; P137-E139 VanDerWaalsContact O-N 3.09Å | ||
| 138 | Q | 42 | Very low | 48.1 | Very low | 173 Ų | 173 | 123.2 Ų | 123.2 | 81% | 0.808 | 70% | 0.7 | S | S | * | * | trans | -50.8 | 121.6 | -166.8 | 177.5 | -178.5 | 2.3 | 0 | 0 | 108.6 | P136 R140 | P136-Q138 PolarHBondContact O-N 3.45Å; Q138-R140 PolarHBondContact O-N 3.03Å | ||
| 139 | E | 43.4 | Very low | 46 | Very low | 188 Ų | 188 | 128 Ų | 128 | 88% | 0.879 | 71% | 0.714 | S | S | * | * | trans | -58.9 | 95.5 | 170.4 | -78 | -164.5 | 136.3 | 0 | 0 | 107.6 | P137 N141 | P137-E139 PolarHBondContact O-N 3.06Å; P137-E139 VanDerWaalsContact O-N 3.09Å; E139-N141 PolarHBondContact O-N 2.85Å | ||
| 140 | R | 41.8 | Very low | 43.7 | Very low | 244 Ų | 244 | 128.9 Ų | 128.9 | 92% | 0.921 | 72% | 0.72 | S | S | * | * | trans | -78.6 | 64.2 | 169.6 | -166.6 | 171.3 | -178.5 | 152.8 | 2.2 | 107.9 | Q138 | Q138-R140 PolarHBondContact O-N 3.03Š| ||
| 141 | N | 40.8 | Very low | 42.2 | Very low | 98 Ų | 98 | 133.7 Ų | 133.7 | 52% | 0.524 | 74% | 0.74 | S | S | . | * | trans | -2.6 | 125.8 | 166.6 | 167.5 | 61.7 | 0 | 0 | 0 | 114.9 | E139 N143 | E139-N141 PolarHBondContact O-N 2.85Å; N141-N143 PolarHBondContact OD1-N 3.02Å | ||
| 142 | N | 38.4 | Very low | 40.1 | Very low | 144 Ų | 144 | 137.3 Ų | 137.3 | 77% | 0.77 | 77% | 0.766 | S | S | * | * | S | Bend | -139.5 | 110.3 | 119.5 | -86 | -42.7 | 0 | 0 | 0 | 110.6 | |||
| 143 | N | 37.7 | Very low | 38.5 | Very low | 140 Ų | 140 | 146 Ų | 146 | 75% | 0.749 | 78% | 0.78 | S | S | * | * | S | Bend | trans | 104.1 | 59.5 | 157 | -53 | -30.7 | 0 | 0 | 0 | 119.6 | N141 | N141-N143 PolarHBondContact OD1-N 3.02Š|
| 144 | R | 39.2 | Very low | 37.2 | Very low | 209 Ų | 209 | 147.1 Ų | 147.1 | 79% | 0.789 | 79% | 0.789 | S | S | * | * | 58.1 | 94.4 | 108.1 | -168.6 | -161.5 | -151.7 | -150.6 | 6.3 | 118.6 | |||||
| 145 | M | 34 | Very low | 36.6 | Very low | 165 Ų | 165 | 145.9 Ų | 145.9 | 81% | 0.813 | 79% | 0.79 | S | S | * | * | -155.7 | 137.1 | 104.1 | -159.3 | 59.2 | 70.9 | 0 | 0 | 110.4 | |||||
| 146 | G | 32.9 | Very low | 36.1 | Very low | 75 Ų | 75 | 146.6 Ų | 146.6 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | trans | -100.3 | 156.7 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 147 | C | 26.2 | Very low | 35.6 | Very low | 135 Ų | 135 | 149.5 Ų | 149.5 | 91% | 0.912 | 80% | 0.799 | S | S | * | * | trans | -102 | 122.8 | 163.2 | -176 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 148 | G | 30.6 | Very low | 35.5 | Very low | 70 Ų | 70 | 154.8 Ų | 154.8 | 72% | 0.722 | 81% | 0.806 | S | S | * | * | trans | -156.5 | 130.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 149 | Q | 34.6 | Very low | 35.2 | Very low | 191 Ų | 191 | 154.1 Ų | 154.1 | 89% | 0.893 | 80% | 0.801 | S | S | * | * | trans | -85.2 | 133.8 | -167.6 | -66.1 | 178.8 | -10.9 | 0 | 0 | 112.9 | ||||
| 150 | T | 28.5 | Very low | 34.7 | Very low | 141 Ų | 141 | 154.6 Ų | 154.6 | 87% | 0.865 | 80% | 0.803 | S | S | * | * | trans | -146.2 | 131.8 | 148.9 | 28.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 151 | E | 36.9 | Very low | 34.5 | Very low | 201 Ų | 201 | 145.9 Ų | 145.9 | 94% | 0.939 | 78% | 0.783 | S | S | * | * | trans | -76.9 | 130.8 | 178.9 | -58 | 178.4 | 122.2 | 0 | 0 | 111.1 | ||||
| 152 | S | 29.5 | Very low | 34.2 | Very low | 110 Ų | 110 | 149.6 Ų | 149.6 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | trans | 167.2 | 97.9 | 134.4 | -176.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 153 | R | 30.8 | Very low | 34 | Very low | 240 Ų | 240 | 148.8 Ų | 148.8 | 91% | 0.906 | 80% | 0.802 | S | S | * | * | trans | 50.6 | 106.5 | 134 | -172.1 | -169.6 | -172.1 | 174.9 | 3.7 | 120 | ||||
| 154 | S | 31.7 | Very low | 33.9 | Very low | 109 Ų | 109 | 150.4 Ų | 150.4 | 76% | 0.762 | 81% | 0.809 | S | S | * | * | -176.6 | 141 | 112.2 | 57.9 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 155 | S | 35.8 | Very low | 33.7 | Very low | 98 Ų | 98 | 151.8 Ų | 151.8 | 69% | 0.685 | 81% | 0.814 | S | S | * | * | trans | 43.6 | 123.1 | 155.5 | -80.2 | 0 | 0 | 0 | 0 | 122 | ||||
| 156 | D | 37.4 | Very low | 34 | Very low | 135 Ų | 135 | 150.9 Ų | 150.9 | 72% | 0.722 | 81% | 0.813 | S | S | * | * | 50.7 | 102.3 | 119.8 | -39.9 | -42.7 | 0 | 0 | 0 | 118.7 | |||||
| 157 | D | 33.8 | Very low | 34.5 | Very low | 173 Ų | 173 | 152.4 Ų | 152.4 | 93% | 0.925 | 81% | 0.809 | S | S | * | * | -165.1 | 153.4 | 108.4 | -99.1 | -29.2 | 0 | 0 | 0 | 111.6 | |||||
| 158 | W | 40 | Very low | 34.6 | Very low | 212 Ų | 212 | 153.9 Ų | 153.9 | 80% | 0.803 | 81% | 0.807 | S | S | * | * | trans | -145.3 | 123.8 | -165.6 | 163.9 | -94.3 | 0 | 0 | 0 | 112.2 | ||||
| 159 | F | 34.3 | Very low | 34.7 | Very low | 159 Ų | 159 | 162 Ų | 162 | 70% | 0.697 | 82% | 0.816 | S | S | * | * | trans | 59.1 | 120.5 | -176.2 | -68.8 | -49.5 | 0 | 0 | 0 | 118.4 | ||||
| 160 | E | 34.1 | Very low | 34.5 | Very low | 198 Ų | 198 | 157.2 Ų | 157.2 | 93% | 0.925 | 81% | 0.809 | S | S | * | * | trans | -136.2 | 111.1 | 142.9 | -176.7 | 76.6 | -98.2 | 0 | 0 | 106.2 | ||||
| 161 | A | 36.4 | Very low | 34.6 | Very low | 60 Ų | 60 | 157.8 Ų | 157.8 | 50% | 0.496 | 80% | 0.802 | S | S | . | * | trans | -144.9 | 129.1 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 162 | H | 34.7 | Very low | 34.2 | Very low | 177 Ų | 177 | 156.4 Ų | 156.4 | 82% | 0.819 | 80% | 0.795 | S | S | * | * | trans | 68.7 | 123.7 | 168.9 | -48.9 | -69.5 | 0 | 0 | 0 | 118.8 | ||||
| 163 | S | 33.9 | Very low | 34.3 | Very low | 126 Ų | 126 | 154.9 Ų | 154.9 | 88% | 0.881 | 80% | 0.797 | S | S | * | * | trans | -153.6 | 89.2 | 143.4 | -87.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 164 | I | 36 | Very low | 34.3 | Very low | 175 Ų | 175 | 150 Ų | 150 | 90% | 0.897 | 79% | 0.794 | S | S | * | * | trans | -102.4 | 116.7 | 162.1 | -62 | 179.8 | 0 | 0 | 0 | 106.6 | ||||
| 165 | R | 36.6 | Very low | 34.8 | Very low | 237 Ų | 237 | 150.3 Ų | 150.3 | 89% | 0.894 | 79% | 0.793 | S | S | * | * | trans | -99.3 | 111.5 | -168.2 | -165.4 | 179.1 | -170 | 178.6 | 3.7 | 111.2 | ||||
| 166 | N | 38.7 | Very low | 34.7 | Very low | 147 Ų | 147 | 155 Ų | 155 | 79% | 0.786 | 80% | 0.801 | S | S | * | * | trans | -91.6 | 129.8 | 172.2 | -175.1 | 17.8 | 0 | 0 | 0 | 110.7 | ||||
| 167 | P | 43.4 | Very low | 34.4 | Very low | 107 Ų | 107 | 155.7 Ų | 155.7 | 70% | 0.695 | 81% | 0.805 | S | S | * | * | trans | -118.2 | 122 | 173.3 | 35.3 | -22.1 | 0 | 0 | 0 | 113.5 | ||||
| 168 | L | 29.8 | Very low | 34.2 | Very low | 165 Ų | 165 | 154.4 Ų | 154.4 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | trans | -130.8 | 143.1 | 159 | -82.3 | 176.6 | 0 | 0 | 0 | 110.8 | ||||
| 169 | R | 32.3 | Very low | 33.8 | Very low | 242 Ų | 242 | 151 Ų | 151 | 91% | 0.913 | 80% | 0.796 | S | S | * | * | trans | 93.1 | 122.7 | 152.2 | -152.1 | 174.9 | -139.9 | -109.1 | 1.9 | 120 | ||||
| 170 | A | 29.9 | Very low | 33.5 | Very low | 90 Ų | 90 | 150.4 Ų | 150.4 | 74% | 0.744 | 80% | 0.798 | S | S | * | * | trans | 67 | 157 | 156.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 171 | Q | 29.7 | Very low | 33.3 | Very low | 153 Ų | 153 | 145.9 Ų | 145.9 | 72% | 0.715 | 79% | 0.789 | S | S | * | * | cis | -145.7 | 158.7 | 5.1 | -154.3 | 175.3 | -13.1 | 0 | 0 | 112.3 | ||||
| 172 | E | 29.7 | Very low | 32.8 | Very low | 171 Ų | 171 | 147.5 Ų | 147.5 | 80% | 0.799 | 80% | 0.802 | S | S | * | * | trans | 19.9 | 132.4 | 158.3 | -74.6 | 145.6 | -130.7 | 0 | 0 | 123 | ||||
| 173 | G | 31.6 | Very low | 32.6 | Very low | 79 Ų | 79 | 143.8 Ų | 143.8 | 81% | 0.814 | 80% | 0.802 | S | S | * | * | trans | 171 | 107.1 | 162.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 174 | V | 31.5 | Very low | 32.3 | Very low | 137 Ų | 137 | 147.1 Ų | 147.1 | 83% | 0.83 | 80% | 0.803 | S | S | * | * | trans | -123.8 | 125.1 | 179.4 | 167.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 175 | P | 41.6 | Very low | 32.2 | Very low | 116 Ų | 116 | 149.9 Ų | 149.9 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | -153 | 141.7 | 97 | 37.5 | -18 | 0 | 0 | 0 | 118.8 | |||||
| 176 | K | 33.1 | Very low | 32.3 | Very low | 196 Ų | 196 | 143 Ų | 143 | 85% | 0.852 | 79% | 0.789 | S | S | * | * | trans | 35.8 | 118.5 | 138.4 | -59 | 177.3 | 180 | 176.3 | 0 | 120.3 | ||||
| 177 | N | 30.4 | Very low | 31.8 | Very low | 150 Ų | 150 | 143 Ų | 143 | 80% | 0.802 | 78% | 0.783 | S | S | * | * | -158.8 | -178.4 | 102 | 63.4 | 47.7 | 0 | 0 | 0 | 110.9 | |||||
| 178 | N | 31.2 | Very low | 31 | Very low | 145 Ų | 145 | 146.2 Ų | 146.2 | 78% | 0.775 | 79% | 0.787 | S | S | * | * | trans | -120.6 | 142.4 | -178 | -46.3 | -35.2 | 0 | 0 | 0 | 109.5 | ||||
| 179 | N | 30.8 | Very low | 31.1 | Very low | 141 Ų | 141 | 145.5 Ų | 145.5 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | 164.5 | 147.3 | 114.8 | 61.6 | 6.9 | 0 | 0 | 0 | 117.2 | |||||
| 180 | I | 28 | Very low | 31 | Very low | 146 Ų | 146 | 144.7 Ų | 144.7 | 75% | 0.749 | 78% | 0.78 | S | S | * | * | trans | 64.9 | 117.5 | 133.7 | -71.1 | 168.9 | 0 | 0 | 0 | 122.3 | ||||
| 181 | S | 30.3 | Very low | 31.2 | Very low | 104 Ų | 104 | 146.3 Ų | 146.3 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | 68.9 | 112.8 | 139.9 | -67.8 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 182 | A | 26.4 | Very low | 31.1 | Very low | 94 Ų | 94 | 148.9 Ų | 148.9 | 78% | 0.777 | 79% | 0.792 | S | S | * | * | 73.1 | 150.9 | 111.6 | 0 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 183 | A | 28.9 | Very low | 30.9 | Very low | 99 Ų | 99 | 149.6 Ų | 149.6 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | 69.4 | 144.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 184 | E | 28.6 | Very low | 30.8 | Very low | 195 Ų | 195 | 151 Ų | 151 | 91% | 0.911 | 80% | 0.799 | S | S | * | * | cis | -128.3 | 170.7 | 2.8 | -67.7 | -178 | 120.8 | 0 | 0 | 112.5 | ||||
| 185 | R | 33.1 | Very low | 30.6 | Very low | 234 Ų | 234 | 150.1 Ų | 150.1 | 88% | 0.883 | 80% | 0.8 | S | S | * | * | trans | -121.1 | 157.7 | 166.7 | -135.4 | -169.6 | 173.4 | 164.9 | -1.6 | 106.3 | ||||
| 186 | P | 39.5 | Very low | 30 | Very low | 93 Ų | 93 | 150.5 Ų | 150.5 | 60% | 0.604 | 80% | 0.799 | S | S | * | * | -158.9 | 174.3 | 73.4 | 44.2 | -24.6 | 0 | 0 | 0 | 117.9 | |||||
| 187 | H | 28.1 | Very low | 29.8 | Very low | 145 Ų | 145 | 152 Ų | 152 | 67% | 0.671 | 80% | 0.801 | S | S | * | * | trans | 65.3 | 143 | 155.7 | -57 | -37.9 | 0 | 0 | 0 | 118.3 | ||||
| 188 | F | 26.8 | Very low | 29.7 | Very low | 175 Ų | 175 | 149.9 Ų | 149.9 | 77% | 0.768 | 80% | 0.798 | S | S | * | * | cis | -145 | 172.1 | -2 | -80.7 | -52.5 | 0 | 0 | 0 | 107.2 | ||||
| 189 | L | 31.7 | Very low | 29.4 | Very low | 150 Ų | 150 | 146.4 Ų | 146.4 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | cis | -155.2 | -167.1 | -7.1 | -124.8 | 172.9 | 0 | 0 | 0 | 108.4 | ||||
| 190 | R | 30.6 | Very low | 29.5 | Very low | 226 Ų | 226 | 145.3 Ų | 145.3 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | trans | -142.8 | 164.2 | 156.2 | -107 | -165.7 | 178.1 | -154.1 | 1.5 | 110.6 | ||||
| 191 | P | 34.4 | Very low | 29.6 | Very low | 124 Ų | 124 | 144.9 Ų | 144.9 | 81% | 0.805 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 169.7 | -177.8 | -19.8 | 34.1 | 0 | 0 | 0 | 115.3 | ||
| 192 | F | 27.2 | Very low | 29.5 | Very low | 206 Ų | 206 | 143.1 Ų | 143.1 | 90% | 0.904 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 152.7 | 177.8 | -106.7 | -106.6 | 0 | 0 | 0 | 113 | ||
| 193 | E | 26.3 | Very low | 29.7 | Very low | 187 Ų | 187 | 146.5 Ų | 146.5 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -102.4 | 161.7 | 153.6 | -71.9 | -167.3 | 151.6 | 0 | 0 | 110.4 | ||
| 194 | A | 27.6 | Very low | 29.9 | Very low | 108 Ų | 108 | 152.2 Ų | 152.2 | 89% | 0.893 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -100.9 | 137.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 195 | S | 27.5 | Very low | 29.9 | Very low | 119 Ų | 119 | 151.1 Ų | 151.1 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | trans | -105.3 | 161.9 | -176.9 | -167.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 196 | V | 29.3 | Very low | 29.7 | Very low | 123 Ų | 123 | 144.7 Ų | 144.7 | 75% | 0.745 | 81% | 0.805 | S | S | * | * | trans | -70.4 | 153.2 | -175.2 | -170.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 197 | Y | 28.7 | Very low | 29.1 | Very low | 228 Ų | 228 | 143.8 Ų | 143.8 | 89% | 0.894 | 81% | 0.813 | S | S | * | * | trans | -126.3 | 145 | 165.3 | -151.1 | -87.2 | 0 | 0 | 0 | 110 | ||||
| 198 | S | 28.8 | Very low | 29.1 | Very low | 106 Ų | 106 | 141.4 Ų | 141.4 | 74% | 0.741 | 81% | 0.812 | S | S | * | * | trans | -144.9 | 145.8 | -172.8 | -71.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 199 | G | 25.5 | Very low | 29 | Very low | 71 Ų | 71 | 143.8 Ų | 143.8 | 73% | 0.732 | 82% | 0.817 | S | S | * | * | trans | 130 | 144.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 200 | S | 32.7 | Very low | 28.9 | Very low | 119 Ų | 119 | 145.3 Ų | 145.3 | 83% | 0.832 | 82% | 0.817 | S | S | * | * | cis | -160.7 | 127.8 | -7.7 | -74 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 201 | S | 29.1 | Very low | 28.7 | Very low | 137 Ų | 137 | 140 Ų | 140 | 96% | 0.958 | 81% | 0.814 | S | S | * | * | trans | 176.6 | 159.5 | 162 | -79.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 202 | G | 28.5 | Very low | 28.4 | Very low | 66 Ų | 66 | 138 Ų | 138 | 68% | 0.68 | 80% | 0.803 | S | S | * | * | cis | 168.9 | 142.4 | -4.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 203 | D | 29.6 | Very low | 28.5 | Very low | 166 Ų | 166 | 136.7 Ų | 136.7 | 89% | 0.888 | 80% | 0.799 | S | S | * | * | trans | 63.4 | -173.8 | 173 | -65.2 | -48.4 | 0 | 0 | 0 | 119.7 | ||||
| 204 | R | 33.6 | Very low | 28.7 | Very low | 219 Ų | 219 | 133.2 Ų | 133.2 | 83% | 0.826 | 80% | 0.796 | S | S | * | * | trans | -137.9 | 164.1 | -137.7 | -70.1 | 172.1 | 153.5 | -169.7 | -3.7 | 115.7 | ||||
| 205 | E | 28.4 | Very low | 28.6 | Very low | 171 Ų | 171 | 135.2 Ų | 135.2 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | 112.7 | 144.7 | 129.5 | -132.9 | 168.4 | 137.2 | 0 | 0 | 120.6 | |||||
| 206 | A | 28.7 | Very low | 29.1 | Very low | 99 Ų | 99 | 134.7 Ų | 134.7 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | 63.3 | 112.4 | 156.7 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 207 | G | 28.7 | Very low | 29 | Very low | 75 Ų | 75 | 135.7 Ų | 135.7 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | 132.4 | 125.7 | 115.5 | 0 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 208 | S | 26.3 | Very low | 29.3 | Very low | 94 Ų | 94 | 131.1 Ų | 131.1 | 66% | 0.657 | 79% | 0.785 | S | S | * | * | trans | 56.2 | 106.8 | 152.7 | -169.5 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 209 | W | 25.8 | Very low | 29.3 | Very low | 226 Ų | 226 | 134.3 Ų | 134.3 | 86% | 0.856 | 79% | 0.786 | S | S | * | * | 57.4 | 132.4 | 85.6 | -58.3 | -19.6 | 0 | 0 | 0 | 114.2 | |||||
| 210 | K | 28.9 | Very low | 29.7 | Very low | 182 Ų | 182 | 137.3 Ų | 137.3 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | cis | -169.9 | 166.4 | 18.5 | 35 | -160.8 | 154.8 | -173.2 | 0 | 112.7 | ||||
| 211 | S | 26.6 | Very low | 29.4 | Very low | 113 Ų | 113 | 135 Ų | 135 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | trans | -19.1 | 162.9 | 163.9 | -55.5 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 212 | S | 28.6 | Very low | 29.6 | Very low | 83 Ų | 83 | 137.1 Ų | 137.1 | 58% | 0.58 | 77% | 0.774 | S | S | * | * | cis | -166.8 | 170.9 | 30.2 | -141.6 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 213 | H | 29.4 | Very low | 29.6 | Very low | 178 Ų | 178 | 136.9 Ų | 136.9 | 82% | 0.824 | 77% | 0.772 | S | S | * | * | trans | 60.4 | 117.4 | 152.9 | -59.4 | -49.6 | 0 | 0 | 0 | 123.3 | ||||
| 214 | S | 29.9 | Very low | 29.8 | Very low | 115 Ų | 115 | 134.9 Ų | 134.9 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | trans | -92.3 | 157.7 | 147.8 | -22 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 215 | T | 26.7 | Very low | 29.5 | Very low | 150 Ų | 150 | 133 Ų | 133 | 92% | 0.92 | 76% | 0.759 | S | S | * | * | trans | -148.8 | 144.1 | 153.8 | 31.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 216 | S | 36.3 | Very low | 29.7 | Very low | 107 Ų | 107 | 130.9 Ų | 130.9 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | trans | -148.6 | 157.4 | -178.7 | 53.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 217 | N | 28.6 | Very low | 29.8 | Very low | 145 Ų | 145 | 134.5 Ų | 134.5 | 78% | 0.775 | 75% | 0.752 | S | S | * | * | trans | -169 | 144.9 | 164.2 | -85.4 | -41.1 | 0 | 0 | 0 | 107.1 | ||||
| 218 | L | 35.1 | Very low | 29.7 | Very low | 131 Ų | 131 | 134.4 Ų | 134.4 | 69% | 0.686 | 75% | 0.751 | S | S | * | * | cis | 74.7 | 135.1 | 37.9 | -55.8 | 172.5 | 0 | 0 | 0 | 112.4 | ||||
| 219 | F | 28.8 | Very low | 29.8 | Very low | 174 Ų | 174 | 134.1 Ų | 134.1 | 76% | 0.763 | 76% | 0.763 | S | S | * | * | cis | -168.3 | 170.8 | -2.6 | -126.7 | -164 | 0 | 0 | 0 | 107.1 | ||||
| 220 | L | 32.8 | Very low | 30.1 | Very low | 133 Ų | 133 | 129.2 Ų | 129.2 | 70% | 0.696 | 76% | 0.763 | S | S | * | * | cis | -165.1 | 164 | -4 | 179.2 | 58.5 | 0 | 0 | 0 | 108.2 | ||||
| 221 | G | 26.6 | Very low | 30.2 | Very low | 70 Ų | 70 | 126 Ų | 126 | 72% | 0.722 | 76% | 0.763 | S | S | * | * | trans | -169.8 | 146.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 222 | Q | 34.1 | Very low | 30.6 | Very low | 182 Ų | 182 | 125.8 Ų | 125.8 | 85% | 0.85 | 76% | 0.762 | S | S | * | * | trans | -156.3 | 150.8 | -164 | 179.5 | 174.2 | -4.8 | 0 | 0 | 115.7 | ||||
| 223 | G | 28 | Very low | 30.8 | Very low | 62 Ų | 62 | 128.2 Ų | 128.2 | 64% | 0.639 | 77% | 0.773 | S | S | * | * | trans | 121.9 | 154.8 | 156 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 224 | D | 34.2 | Very low | 31.2 | Very low | 124 Ų | 124 | 130.1 Ų | 130.1 | 66% | 0.663 | 77% | 0.773 | S | S | * | * | cis | -170.1 | 138.7 | -22.8 | -104.9 | -25.2 | 0 | 0 | 0 | 110.3 | ||||
| 225 | F | 27.3 | Very low | 31.5 | Very low | 180 Ų | 180 | 130.4 Ų | 130.4 | 79% | 0.789 | 77% | 0.772 | S | S | * | * | trans | 56.7 | 140.7 | 152.5 | -71.6 | -123.5 | 0 | 0 | 0 | 119 | ||||
| 226 | L | 32.4 | Very low | 32.2 | Very low | 126 Ų | 126 | 127.9 Ų | 127.9 | 66% | 0.66 | 76% | 0.758 | S | S | * | * | cis | -165.7 | 160.6 | 7.1 | -115 | 178 | 0 | 0 | 0 | 111.9 | ||||
| 227 | H | 30.8 | Very low | 32 | Very low | 175 Ų | 175 | 130.3 Ų | 130.3 | 81% | 0.81 | 76% | 0.763 | S | S | * | * | trans | 56.7 | 138.9 | 164.7 | -68.5 | 99.4 | 0 | 0 | 0 | 119.2 | ||||
| 228 | G | 25.8 | Very low | 32.4 | Very low | 73 Ų | 73 | 132.3 Ų | 132.3 | 75% | 0.753 | 77% | 0.768 | S | S | * | * | cis | 169.6 | 172.6 | -4.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 229 | G | 28.3 | Very low | 32.7 | Very low | 88 Ų | 88 | 135.1 Ų | 135.1 | 91% | 0.907 | 78% | 0.777 | S | S | * | * | trans | 94.6 | 132.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 230 | S | 33.4 | Very low | 33.3 | Very low | 123 Ų | 123 | 130.9 Ų | 130.9 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | trans | -130.8 | 139.5 | -177.1 | 179 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 231 | S | 31 | Very low | 34.2 | Very low | 113 Ų | 113 | 131 Ų | 131 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | trans | -149.1 | 146.8 | 155.1 | -166.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 232 | S | 34.3 | Very low | 35.5 | Very low | 109 Ų | 109 | 130.7 Ų | 130.7 | 76% | 0.762 | 78% | 0.778 | S | S | * | * | trans | -116 | 122.5 | -177.8 | 169.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 233 | V | 33.8 | Very low | 36.3 | Very low | 134 Ų | 134 | 128.4 Ų | 128.4 | 81% | 0.812 | 77% | 0.771 | S | S | * | * | trans | -131.9 | 137 | 171.7 | -176.9 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 234 | R | 36.5 | Very low | 38.2 | Very low | 218 Ų | 218 | 130.2 Ų | 130.2 | 82% | 0.823 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -91.3 | 150.9 | 175.8 | -64.6 | 176.5 | 177.6 | 172.6 | -2.7 | 109.7 | ||
| 235 | P | 35.9 | Very low | 40.1 | Very low | 121 Ų | 121 | 132 Ų | 132 | 79% | 0.786 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 138.8 | 164.7 | 30.3 | -33.8 | 0 | 0 | 0 | 110 | ||
| 236 | P | 42.2 | Very low | 42.4 | Very low | 97 Ų | 97 | 129.1 Ų | 129.1 | 63% | 0.63 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -91.4 | 134.6 | 173.1 | 34.8 | -31.6 | 0 | 0 | 0 | 112.4 | ||
| 237 | D | 31.9 | Very low | 44.6 | Very low | 158 Ų | 158 | 130.3 Ų | 130.3 | 85% | 0.845 | 75% | 0.754 | S | S | * | * | 31.3 | 92.4 | 122.1 | -35.3 | -23.2 | 0 | 0 | 0 | 117.4 | E239 | D237-E239 PolarHBondContact O-N 3.15Š| |||
| 238 | E | 38.1 | Very low | 46.9 | Very low | 188 Ų | 188 | 126.5 Ų | 126.5 | 88% | 0.879 | 74% | 0.738 | S | S | * | * | trans | -86.4 | 87.4 | 176.5 | -74.6 | -74.1 | 172.2 | 0 | 0 | 112.8 | ||||
| 239 | E | 41.4 | Very low | 49.2 | Very low | 190 Ų | 190 | 126.7 Ų | 126.7 | 89% | 0.888 | 72% | 0.722 | S | S | * | * | trans | -150.8 | 74.7 | 166.4 | -167.1 | 167.7 | -146.3 | 0 | 0 | 113.3 | D237 | D237-E239 PolarHBondContact O-N 3.15Š| ||
| 240 | S | 40 | Very low | 51.3 | Low | 85 Ų | 85 | 125.3 Ų | 125.3 | 59% | 0.594 | 70% | 0.701 | S | S | * | * | trans | -160.5 | 53.5 | 163 | -141.1 | 0 | 0 | 0 | 0 | 115.1 | G242 | S240-G242 PolarHBondContact O-N 3.41Š| ||
| 241 | S | 53 | Low | 53.2 | Low | 135 Ų | 135 | 123.5 Ų | 123.5 | 94% | 0.944 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | 70 | 178.4 | -49.5 | 0 | 0 | 0 | 0 | 112.9 | ||
| 242 | G | 52.9 | Low | 55.4 | Low | 64 Ų | 64 | 122 Ų | 122 | 66% | 0.66 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -171.8 | -7.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 117.9 | S240 | S240-G242 PolarHBondContact O-N 3.41Š|
| 243 | L | 51.3 | Low | 56.9 | Low | 134 Ų | 134 | 123.2 Ų | 123.2 | 70% | 0.702 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -112.9 | -12.7 | -176.9 | -62.3 | 177.8 | 0 | 0 | 0 | 114.8 | ||
| 244 | D | 67.6 | Low | 58 | Low | 100 Ų | 100 | 124.3 Ų | 124.3 | 54% | 0.535 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -76.9 | -35 | -174.7 | -173.5 | 57.1 | 0 | 0 | 0 | 113.3 | Y247 M248 | D244-Y247 WeakPolarHBondContact O-CB 3.45Å; D244-Y247 PolarHBondContact O-N 2.92Å; D244-M248 PolarHBondContact O-N 3.41Å |
| 245 | Y | 73.4 | Confident | 58.9 | Low | 160 Ų | 160 | 118.1 Ų | 118.1 | 63% | 0.627 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -68 | -43.9 | -175.2 | -164.3 | -106.3 | 0 | 0 | 0 | 112.8 | Y247 M248 L249 | Y245-Y247 VanDerWaalsContact C-N 3.26Å; Y245-Y247 PolarHBondContact O-N 3.26Å; Y245-M248 HydrophobicContact CD2-CE 4.44Å; Y245-M248 PolarHBondContact O-N 3.29Å; Y245-L249 HydrophobicContact CD1-CD1 3.73Å; Y245-L249 HydrophobicContact CD1-CG 4.35Å; Y245-L249 HydrophobicContact CE1-CD1 3.61Å; Y245-L249 HydrophobicContact CE1-CG 4.2Å; Y245-L249 WeakPolarHBondContact O-CB 3.38Å; Y245-L249 WeakPolarHBondContact O-CG 3.4Å; Y245-L249 PolarHBondContact O-N 3.09Å |
| 246 | D | 77.3 | Confident | 59.8 | Low | 121 Ų | 121 | 119.5 Ų | 119.5 | 65% | 0.647 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -63.4 | -32.6 | 173.3 | -85.7 | 11.7 | 0 | 0 | 0 | 111.7 | A250 | D246-A250 VanDerWaalsContact O-CB 3.29Å; D246-A250 WeakPolarHBondContact O-CB 3.18Å; D246-A250 PolarHBondContact O-N 3.35Å |
| 247 | Y | 77.9 | Confident | 60.6 | Low | 150 Ų | 150 | 118 Ų | 118 | 59% | 0.588 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -69.8 | -44.8 | 176.3 | -178 | -114.9 | 0 | 0 | 0 | 111.9 | D244 Y245 A250 L251 | D244-Y247 WeakPolarHBondContact O-CB 3.45Å; D244-Y247 PolarHBondContact O-N 2.92Å; Y245-Y247 VanDerWaalsContact C-N 3.26Å; Y245-Y247 PolarHBondContact O-N 3.26Å; Y247-A250 PolarHBondContact O-N 3.19Å; Y247-L251 HydrophobicContact CD1-CD1 4.21Å; Y247-L251 HydrophobicContact CE1-CD1 3.76Å; Y247-L251 HydrophobicContact CE2-CD1 4.41Å; Y247-L251 HydrophobicContact CE2-CG 4.49Å; Y247-L251 WeakPolarHBondContact O-CG 3.3Å; Y247-L251 PolarHBondContact O-N 2.9Å; Y247-L251 VanDerWaalsContact O-N 3.11Å |
| 248 | M | 78.3 | Confident | 60.8 | Low | 95 Ų | 95 | 119.8 Ų | 119.8 | 47% | 0.468 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -62 | -42.8 | 173.2 | -72.7 | -160.4 | -72.4 | 0 | 0 | 112.3 | D244 Y245 L251 S252 | D244-M248 PolarHBondContact O-N 3.41Å; Y245-M248 HydrophobicContact CD2-CE 4.44Å; Y245-M248 PolarHBondContact O-N 3.29Å; M248-L251 PolarHBondContact O-N 3.34Å; M248-S252 PolarHBondContact O-N 3Å; M248-S252 PolarHBondContact O-OG 3.33Å; M248-S252 VanDerWaalsContact O-OG 3.11Å |
| 249 | L | 73.8 | Confident | 61.1 | Low | 78 Ų | 78 | 117 Ų | 117 | 41% | 0.408 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -61.2 | -43.4 | 175 | -75.3 | 172.5 | 0 | 0 | 0 | 112.3 | Y245 L251 S252 L253 | Y245-L249 HydrophobicContact CD1-CD1 3.73Å; Y245-L249 HydrophobicContact CD1-CG 4.35Å; Y245-L249 HydrophobicContact CE1-CD1 3.61Å; Y245-L249 HydrophobicContact CE1-CG 4.2Å; Y245-L249 WeakPolarHBondContact O-CB 3.38Å; Y245-L249 WeakPolarHBondContact O-CG 3.4Å; Y245-L249 PolarHBondContact O-N 3.09Å; L249-L251 VanDerWaalsContact C-N 3.32Å; L249-L251 PolarHBondContact O-N 3.49Å; L249-S252 PolarHBondContact O-N 3.08Å; L249-L253 WeakPolarHBondContact O-CG 3.49Å; L249-L253 PolarHBondContact O-N 3.17Å; L249-L253 VanDerWaalsContact O-N 3.11Å |
| 250 | A | 73 | Confident | 61 | Low | 58 Ų | 58 | 112.6 Ų | 112.6 | 48% | 0.479 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -62.8 | -37.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | D246 Y247 L253 | D246-A250 VanDerWaalsContact O-CB 3.29Å; D246-A250 WeakPolarHBondContact O-CB 3.18Å; D246-A250 PolarHBondContact O-N 3.35Å; Y247-A250 PolarHBondContact O-N 3.19Å; A250-L253 PolarHBondContact O-N 2.91Å |
| 251 | L | 73.6 | Confident | 60.8 | Low | 85 Ų | 85 | 113.5 Ų | 113.5 | 45% | 0.445 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -67.1 | -40.4 | 174 | -69.3 | 172 | 0 | 0 | 0 | 112 | Y247 M248 L249 L253 Q254 | Y247-L251 HydrophobicContact CD1-CD1 4.21Å; Y247-L251 HydrophobicContact CE1-CD1 3.76Å; Y247-L251 HydrophobicContact CE2-CD1 4.41Å; Y247-L251 HydrophobicContact CE2-CG 4.49Å; Y247-L251 WeakPolarHBondContact O-CG 3.3Å; Y247-L251 PolarHBondContact O-N 2.9Å; Y247-L251 VanDerWaalsContact O-N 3.11Å; M248-L251 PolarHBondContact O-N 3.34Å; L249-L251 VanDerWaalsContact C-N 3.32Å; L249-L251 PolarHBondContact O-N 3.49Å; L251-L253 VanDerWaalsContact C-N 3.28Å; L251-L253 PolarHBondContact O-N 3.29Å; L251-Q254 PolarHBondContact O-N 3.46Å |
| 252 | S | 77 | Confident | 59.9 | Low | 81 Ų | 81 | 111.1 Ų | 111.1 | 57% | 0.566 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -64.8 | -28.4 | 176.9 | -58.1 | 0 | 0 | 0 | 0 | 113.6 | M248 L249 Q254 S255 | M248-S252 PolarHBondContact O-N 3Å; M248-S252 PolarHBondContact O-OG 3.33Å; M248-S252 VanDerWaalsContact O-OG 3.11Å; L249-S252 PolarHBondContact O-N 3.08Å; S252-Q254 VanDerWaalsContact C-N 3.31Å; S252-S255 PolarHBondContact O-OG 3.36Å |
| 253 | L | 66.3 | Low | 59.1 | Low | 136 Ų | 136 | 111.8 Ų | 111.8 | 71% | 0.712 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.2 | -6 | 176.7 | -68.9 | 171.3 | 0 | 0 | 0 | 113.7 | L249 A250 L251 | L249-L253 WeakPolarHBondContact O-CG 3.49Å; L249-L253 PolarHBondContact O-N 3.17Å; L249-L253 VanDerWaalsContact O-N 3.11Å; A250-L253 PolarHBondContact O-N 2.91Å; L251-L253 VanDerWaalsContact C-N 3.28Å; L251-L253 PolarHBondContact O-N 3.29Å |
| 254 | Q | 56.9 | Low | 58.9 | Low | 157 Ų | 157 | 110.3 Ų | 110.3 | 73% | 0.734 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | -7.7 | -175.7 | -159.9 | 164.7 | 22.5 | 0 | 0 | 113.7 | L251 S252 | L251-Q254 PolarHBondContact O-N 3.46Å; S252-Q254 VanDerWaalsContact C-N 3.31Å |
| 255 | S | 54.8 | Low | 57.9 | Low | 88 Ų | 88 | 114.8 Ų | 114.8 | 62% | 0.615 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -88.7 | -19.2 | -177.6 | 48.8 | 0 | 0 | 0 | 0 | 115.7 | S252 G257 | S252-S255 PolarHBondContact O-OG 3.36Å; S255-G257 PolarHBondContact O-N 2.86Å |
| 256 | D | 55.9 | Low | 56.5 | Low | 150 Ų | 150 | 113.1 Ų | 113.1 | 80% | 0.802 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | 37.6 | -173.3 | -67.6 | -10.6 | 0 | 0 | 0 | 113 | ||
| 257 | G | 57.8 | Low | 55.1 | Low | 64 Ų | 64 | 111.9 Ų | 111.9 | 66% | 0.66 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.6 | -11 | -155.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | S255 | S255-G257 PolarHBondContact O-N 2.86Š|
| 258 | E | 37 | Very low | 53.4 | Low | 197 Ų | 197 | 112.1 Ų | 112.1 | 92% | 0.921 | 71% | 0.71 | S | S | * | * | trans | -152.9 | 118.3 | 177.6 | -124 | 164 | -151.3 | 0 | 0 | 114.1 | ||||
| 259 | S | 43.3 | Very low | 51.6 | Low | 128 Ų | 128 | 117 Ų | 117 | 90% | 0.895 | 72% | 0.723 | S | S | * | * | trans | -102.2 | 109.6 | 179 | -71.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 260 | A | 39.8 | Very low | 50.2 | Low | 99 Ų | 99 | 122.2 Ų | 122.2 | 82% | 0.818 | 74% | 0.738 | S | S | * | * | 160.7 | 112.4 | 129.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 261 | A | 35.9 | Very low | 48.6 | Very low | 103 Ų | 103 | 124.2 Ų | 124.2 | 85% | 0.851 | 74% | 0.744 | S | S | * | * | 164.3 | 113.9 | 124 | 0 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 262 | G | 33.9 | Very low | 47 | Very low | 85 Ų | 85 | 124.8 Ų | 124.8 | 88% | 0.876 | 75% | 0.747 | S | S | * | * | trans | 61 | 93.3 | 140.6 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 263 | G | 36.3 | Very low | 45.4 | Very low | 79 Ų | 79 | 131.7 Ų | 131.7 | 81% | 0.814 | 76% | 0.761 | S | S | * | * | 104.8 | 112.1 | 120.2 | 0 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 264 | A | 47.7 | Very low | 43.9 | Very low | 103 Ų | 103 | 133.6 Ų | 133.6 | 85% | 0.851 | 77% | 0.766 | S | S | * | * | trans | 69.8 | 81.1 | 143 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 265 | E | 45.3 | Very low | 42.9 | Very low | 194 Ų | 194 | 136.5 Ų | 136.5 | 91% | 0.907 | 77% | 0.77 | S | S | * | * | trans | -149.3 | 42.3 | 154.3 | 54.1 | -172.4 | -167.8 | 0 | 0 | 115.8 | ||||
| 266 | D | 44.7 | Very low | 42.1 | Very low | 125 Ų | 125 | 141.6 Ų | 141.6 | 67% | 0.668 | 78% | 0.784 | S | S | * | * | trans | -101.4 | 88.5 | 163.7 | -179 | 27.4 | 0 | 0 | 0 | 111.3 | ||||
| 267 | S | 47.7 | Very low | 41 | Very low | 95 Ų | 95 | 140.3 Ų | 140.3 | 66% | 0.664 | 78% | 0.777 | S | S | * | * | trans | -160.3 | 0.3 | 171.3 | -79.1 | 0 | 0 | 0 | 0 | 115 | ||||
| 268 | M | 41.6 | Very low | 39.8 | Very low | 154 Ų | 154 | 145.1 Ų | 145.1 | 76% | 0.759 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -90.5 | -24.1 | -169.5 | -142.4 | 166.4 | -167.8 | 0 | 0 | 114.6 | T271 | M268-T271 PolarHBondContact O-OG1 3.38Š|
| 269 | W | 41.2 | Very low | 39.5 | Very low | 197 Ų | 197 | 144 Ų | 144 | 75% | 0.746 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -91.4 | -17.8 | -177.2 | -66 | 110.5 | 0 | 0 | 0 | 114.6 | I272 | W269-I272 HydrophobicContact CE3-CD1 3.82Å; W269-I272 HydrophobicContact CZ3-CD1 3.94Å |
| 270 | R | 43.5 | Very low | 38.8 | Very low | 188 Ų | 188 | 144.4 Ų | 144.4 | 71% | 0.709 | 77% | 0.769 | S | S | * | * | H | α-helix | trans | -78.4 | -28.2 | -179.2 | -158.5 | 176.7 | -58 | -170.4 | 5.2 | 113.3 | ||
| 271 | T | 40.1 | Very low | 38.3 | Very low | 100 Ų | 100 | 146.3 Ų | 146.3 | 61% | 0.613 | 77% | 0.766 | S | S | * | * | H | α-helix | trans | -85.3 | -3.3 | -174.7 | 42.8 | 0 | 0 | 0 | 0 | 114.7 | M268 | M268-T271 PolarHBondContact O-OG1 3.38Å |
| 272 | I | 41 | Very low | 38 | Very low | 98 Ų | 98 | 146.3 Ų | 146.3 | 50% | 0.503 | 76% | 0.76 | S | S | . | * | H | α-helix | trans | -84.8 | -37.5 | 178.1 | -64.6 | 173.5 | 0 | 0 | 0 | 111.1 | W269 | W269-I272 HydrophobicContact CE3-CD1 3.82Å; W269-I272 HydrophobicContact CZ3-CD1 3.94Å |
| 273 | W | 42.4 | Very low | 37.7 | Very low | 225 Ų | 225 | 147.6 Ų | 147.6 | 85% | 0.852 | 76% | 0.755 | S | S | * | * | H | α-helix | trans | -84.7 | -15.4 | -172.9 | -65.6 | 105 | 0 | 0 | 0 | 115.2 | R275 | W273-R275 VanDerWaalsContact C-N 3.3Å; W273-R275 PolarHBondContact O-N 3.24Å |
| 274 | E | 36 | Very low | 37.4 | Very low | 176 Ų | 176 | 148.6 Ų | 148.6 | 82% | 0.822 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.3 | 21.5 | 175.1 | -67.3 | -166.3 | 147.5 | 0 | 0 | 113.7 | ||
| 275 | R | 34.5 | Very low | 36.6 | Very low | 219 Ų | 219 | 151.2 Ų | 151.2 | 83% | 0.826 | 76% | 0.755 | S | S | * | * | trans | -124 | 16.7 | -172.7 | -136.1 | -173.3 | -174.8 | 162.8 | 6.8 | 118.5 | W273 | W273-R275 VanDerWaalsContact C-N 3.3Å; W273-R275 PolarHBondContact O-N 3.24Å | ||
| 276 | E | 38.8 | Very low | 35.8 | Very low | 195 Ų | 195 | 146.7 Ų | 146.7 | 91% | 0.911 | 74% | 0.741 | S | S | * | * | trans | -124.2 | 72.1 | 164.4 | -70.2 | -148 | 120.3 | 0 | 0 | 112.8 | ||||
| 277 | D | 31.8 | Very low | 35.1 | Very low | 122 Ų | 122 | 150 Ų | 150 | 65% | 0.652 | 75% | 0.75 | S | S | * | * | trans | -150.4 | 136.5 | 151.6 | -151.7 | -6.3 | 0 | 0 | 0 | 113.6 | ||||
| 278 | K | 33.6 | Very low | 34.8 | Very low | 166 Ų | 166 | 151 Ų | 151 | 72% | 0.722 | 75% | 0.754 | S | S | * | * | trans | 45 | 107.4 | 169.9 | -69.9 | 151.9 | -168 | 73.9 | 0 | 119.2 | ||||
| 279 | K | 30.5 | Very low | 34.3 | Very low | 174 Ų | 174 | 151.8 Ų | 151.8 | 76% | 0.757 | 76% | 0.761 | S | S | * | * | -153.9 | 113.7 | 108.1 | -153.2 | 69.8 | 175.7 | -177.9 | 0 | 116 | |||||
| 280 | T | 28.4 | Very low | 33.7 | Very low | 135 Ų | 135 | 146.1 Ų | 146.1 | 83% | 0.828 | 76% | 0.756 | S | S | * | * | trans | -116.7 | 160.9 | 141.7 | 47.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 281 | N | 29.8 | Very low | 33.2 | Very low | 139 Ų | 139 | 145.6 Ų | 145.6 | 74% | 0.743 | 76% | 0.761 | S | S | * | * | trans | -97.9 | 162.5 | -179.6 | -54.5 | -47.7 | 0 | 0 | 0 | 109.2 | ||||
| 282 | S | 28.3 | Very low | 32.8 | Very low | 104 Ų | 104 | 147.6 Ų | 147.6 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | cis | -159.9 | 171.8 | 15.5 | -174.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 283 | S | 27.8 | Very low | 32.5 | Very low | 111 Ų | 111 | 151.3 Ų | 151.3 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | trans | 83 | 118.9 | 148.3 | -50.6 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 284 | A | 31.2 | Very low | 31.9 | Very low | 101 Ų | 101 | 146.5 Ų | 146.5 | 84% | 0.835 | 77% | 0.771 | S | S | * | * | trans | 173.4 | 156.4 | 142.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 285 | N | 29.5 | Very low | 31.7 | Very low | 157 Ų | 157 | 142.7 Ų | 142.7 | 84% | 0.84 | 76% | 0.76 | S | S | * | * | trans | -91.9 | 131.4 | -166.2 | -70.1 | -30.1 | 0 | 0 | 0 | 115.5 | ||||
| 286 | T | 29.3 | Very low | 31.5 | Very low | 100 Ų | 100 | 139.6 Ų | 139.6 | 61% | 0.613 | 76% | 0.76 | S | S | * | * | 45.8 | 136.9 | 122.4 | -22.4 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 287 | F | 29.2 | Very low | 31.2 | Very low | 194 Ų | 194 | 135.6 Ų | 135.6 | 85% | 0.851 | 75% | 0.754 | S | S | * | * | trans | 107.3 | 143.8 | 152 | -64.1 | -63 | 0 | 0 | 0 | 118.5 | ||||
| 288 | P | 42.3 | Very low | 31.8 | Very low | 115 Ų | 115 | 135.6 Ų | 135.6 | 75% | 0.747 | 76% | 0.76 | S | S | * | * | trans | -113.9 | 177.9 | -163.9 | 43.7 | -34.4 | 0 | 0 | 0 | 114.3 | ||||
| 289 | L | 30.6 | Very low | 31.7 | Very low | 172 Ų | 172 | 136.5 Ų | 136.5 | 90% | 0.901 | 77% | 0.767 | S | S | * | * | trans | -120.6 | 151.6 | 160.3 | -166.7 | 59.6 | 0 | 0 | 0 | 110.2 | ||||
| 290 | A | 30.3 | Very low | 31.7 | Very low | 77 Ų | 77 | 131.5 Ų | 131.5 | 64% | 0.636 | 77% | 0.765 | S | S | * | * | trans | -124.7 | -171.4 | -169.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 291 | H | 32.3 | Very low | 31.9 | Very low | 178 Ų | 178 | 131.3 Ų | 131.3 | 82% | 0.824 | 76% | 0.764 | S | S | * | * | trans | 102.4 | 140.2 | 179.7 | -61.9 | -65.5 | 0 | 0 | 0 | 114.8 | ||||
| 292 | N | 31.8 | Very low | 32.1 | Very low | 141 Ų | 141 | 130.4 Ų | 130.4 | 75% | 0.754 | 77% | 0.768 | S | S | * | * | cis | -156.3 | 175.2 | -24.8 | -159 | 1.3 | 0 | 0 | 0 | 109.8 | ||||
| 293 | K | 34 | Very low | 32.3 | Very low | 177 Ų | 177 | 129.9 Ų | 129.9 | 77% | 0.77 | 77% | 0.77 | S | S | * | * | trans | -70.2 | 171.2 | 173.9 | -51.6 | 179.5 | 179.8 | 177.4 | 0 | 111.2 | ||||
| 294 | N | 29.8 | Very low | 32.6 | Very low | 124 Ų | 124 | 130.5 Ų | 130.5 | 66% | 0.663 | 77% | 0.769 | S | S | * | * | cis | -168.8 | 146.1 | 37.2 | -149.7 | 42.6 | 0 | 0 | 0 | 114 | ||||
| 295 | T | 31.4 | Very low | 32.9 | Very low | 95 Ų | 95 | 134.4 Ų | 134.4 | 58% | 0.583 | 77% | 0.77 | S | S | * | * | trans | 33.3 | 126.6 | 145.4 | 60 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 296 | N | 31.7 | Very low | 33.1 | Very low | 154 Ų | 154 | 131.3 Ų | 131.3 | 82% | 0.824 | 77% | 0.766 | S | S | * | * | -178.1 | 152.9 | 102.4 | -90.9 | -22.1 | 0 | 0 | 0 | 113.9 | |||||
| 297 | S | 32.5 | Very low | 33.7 | Very low | 112 Ų | 112 | 132.2 Ų | 132.2 | 78% | 0.783 | 78% | 0.776 | S | S | * | * | trans | -130.4 | 162 | 164 | -57.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 298 | P | 44.6 | Very low | 34.1 | Very low | 121 Ų | 121 | 125.8 Ų | 125.8 | 79% | 0.786 | 77% | 0.765 | S | S | * | * | -144.5 | -173.5 | 99.8 | 37.4 | -20.3 | 0 | 0 | 0 | 114.8 | |||||
| 299 | E | 30.9 | Very low | 34.7 | Very low | 185 Ų | 185 | 125.6 Ų | 125.6 | 86% | 0.864 | 76% | 0.764 | S | S | * | * | trans | -71.9 | 164.9 | -167.2 | -54.7 | 111.2 | 109.5 | 0 | 0 | 117.3 | ||||
| 300 | G | 30.2 | Very low | 35.5 | Very low | 69 Ų | 69 | 122.1 Ų | 122.1 | 71% | 0.711 | 75% | 0.75 | S | S | * | * | trans | -167.2 | 16.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 301 | T | 32.5 | Very low | 37.2 | Very low | 131 Ų | 131 | 125.5 Ų | 125.5 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | trans | 40 | 115 | 166.7 | 54.9 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 302 | S | 33.3 | Very low | 39.4 | Very low | 121 Ų | 121 | 119 Ų | 119 | 85% | 0.846 | 73% | 0.731 | S | S | * | * | trans | 60.7 | 107.1 | 141.8 | -56.1 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 303 | A | 33.4 | Very low | 42 | Very low | 93 Ų | 93 | 116.3 Ų | 116.3 | 77% | 0.769 | 71% | 0.714 | S | S | * | * | 170.7 | 136.1 | 91.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 304 | V | 34.5 | Very low | 44.5 | Very low | 123 Ų | 123 | 110.9 Ų | 110.9 | 75% | 0.745 | 69% | 0.693 | S | S | * | * | trans | 70.1 | 132.9 | 149.4 | 175.1 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 305 | Q | 37.3 | Very low | 47.4 | Very low | 184 Ų | 184 | 108.4 Ų | 108.4 | 86% | 0.86 | 68% | 0.684 | S | S | * | * | trans | 77.8 | 151.8 | 158.8 | -82.6 | 159.7 | 12 | 0 | 0 | 121.7 | ||||
| 306 | A | 33.2 | Very low | 50 | Low | 92 Ų | 92 | 104 Ų | 104 | 76% | 0.76 | 66% | 0.657 | S | S | * | * | trans | 53.4 | 107.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 118.6 | G308 | A306-G308 PolarHBondContact O-N 3.09Š| ||
| 307 | S | 43.1 | Very low | 52.6 | Low | 118 Ų | 118 | 104.6 Ų | 104.6 | 83% | 0.825 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 128.4 | 138 | 46.7 | 0 | 0 | 0 | 0 | 108.4 | ||
| 308 | G | 37.5 | Very low | 55.1 | Low | 60 Ų | 60 | 103.1 Ų | 103.1 | 62% | 0.619 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 151.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112 | A306 | A306-G308 PolarHBondContact O-N 3.09Š|
| 309 | P | 53.1 | Low | 57 | Low | 110 Ų | 110 | 98.7 Ų | 98.7 | 71% | 0.714 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 150.1 | 168.1 | 28.7 | -34.5 | 0 | 0 | 0 | 109.5 | ||
| 310 | T | 49.2 | Very low | 59.5 | Low | 100 Ų | 100 | 97.1 Ų | 97.1 | 61% | 0.613 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 137.4 | 167.7 | 38.2 | 0 | 0 | 0 | 0 | 109.2 | T312 | T310-T312 WeakPolarHBondContact CB-OG1 3.27Å; T310-T312 PolarHBondContact O-N 3.23Å; T310-T312 PolarHBondContact O-OG1 3.16Å; T310-T312 PolarHBondContact OG1-OG1 3.33Å |
| 311 | D | 65.1 | Low | 62.1 | Low | 147 Ų | 147 | 98.9 Ų | 98.9 | 79% | 0.786 | 59% | 0.588 | S | S | * | * | trans | -74.1 | 58.7 | 176.1 | -164.2 | 17.4 | 0 | 0 | 0 | 109.5 | M313 | D311-M313 PolarHBondContact O-N 3.3Š| ||
| 312 | T | 79.3 | Confident | 64.6 | Low | 43 Ų | 43 | 97.7 Ų | 97.7 | 26% | 0.264 | 58% | 0.577 | S | S | . | * | trans | -80.9 | 83.9 | -170.9 | -39.8 | 0 | 0 | 0 | 0 | 109.5 | T310 L314 E325 | T310-T312 WeakPolarHBondContact CB-OG1 3.27Å; T310-T312 PolarHBondContact O-N 3.23Å; T310-T312 PolarHBondContact O-OG1 3.16Å; T310-T312 PolarHBondContact OG1-OG1 3.33Å; T312-L314 HydrophobicContact CG2-CD1 4.45Å; T312-L314 HydrophobicContact CG2-CD2 4.03Å; T312-L314 HydrophobicContact CG2-CG 4.06Å; T312-L314 PolarHBondContact O-N 3.17Å; T312-E325 WeakPolarHBondContact CB-OE2 3.49Å; T312-E325 PolarHBondContact O-N 3.14Å; T312-E325 PolarHBondContact OG1-OE2 3.04Å; T312-E325 VanDerWaalsContact OG1-OE2 3.08Å | ||
| 313 | M | 86.4 | Confident | 67.1 | Low | 84 Ų | 84 | 93.8 Ų | 93.8 | 41% | 0.414 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 112.3 | 174.9 | -64 | -60.8 | -61.8 | 0 | 0 | 110.7 | D311 L322 F323 P324 | D311-M313 PolarHBondContact O-N 3.3Å; M313-L322 HydrophobicContact CB-CB 4.42Å; M313-L322 HydrophobicContact CE-CB 3.91Å; M313-L322 VanDerWaalsContact CE-O 3.24Å; M313-L322 WeakPolarHBondContact CE-O 3.39Å; M313-F323 CarbonylContact C-O 3.57Å; M313-F323 WeakPolarHBondContact CA-O 3.46Å; M313-P324 HydrophobicContact CE-CG 4.5Å; M313-P324 HydrophobicContact SD-CB 4.41Å; M313-P324 HydrophobicContact SD-CG 3.91Å |
| 314 | L | 86.8 | Confident | 69.8 | Low | 63 Ų | 63 | 90.9 Ų | 90.9 | 33% | 0.33 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 141.7 | -178.4 | -65.7 | 175.5 | 0 | 0 | 0 | 111.1 | T312 L322 F323 E325 L328 | T312-L314 HydrophobicContact CG2-CD1 4.45Å; T312-L314 HydrophobicContact CG2-CD2 4.03Å; T312-L314 HydrophobicContact CG2-CG 4.06Å; T312-L314 PolarHBondContact O-N 3.17Å; L314-L322 CarbonylContact O-C 3.59Å; L314-L322 WeakPolarHBondContact O-CA 3.35Å; L314-F323 PolarHBondContact N-O 2.96Å; L314-F323 PolarHBondContact O-N 3.4Å; L314-E325 HydrophobicContact CD1-CB 4.47Å; L314-E325 HydrophobicContact CD1-CG 4.3Å; L314-L328 HydrophobicContact CB-CD1 4.37Å; L314-L328 HydrophobicContact CB-CD2 3.89Å; L314-L328 HydrophobicContact CD1-CD2 3.94Å |
| 315 | P | 89.9 | Confident | 72.4 | Confident | 72 Ų | 72 | 90 Ų | 90 | 47% | 0.468 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 134.6 | 175.9 | 31 | -32.8 | 0 | 0 | 0 | 111.1 | E321 L322 | P315-E321 WeakPolarHBondContact CA-O 3.43Å; P315-L322 HydrophobicContact CB-CD2 4Å; P315-L322 HydrophobicContact CG-CD2 4.47Å |
| 316 | C | 85.9 | Confident | 74.6 | Confident | 2 Ų | 2 | 87.4 Ų | 87.4 | 1% | 0.014 | 49% | 0.493 | C | S | . | . | trans | -65.7 | 130.6 | 170.4 | 165.4 | 0 | 0 | 0 | 0 | 111.3 | F318 C319 E320 E321 F323 L328 H331 | C316-F318 PolarHBondContact O-N 2.84Å; C316-F318 PolarHBondContact SG-N 2.92Å; C316-F318 VanDerWaalsContact SG-N 3.39Å; C316-C319 VanDerWaalsContact CB-SG 3.56Å; C316-C319 PolarHBondContact O-N 3.31Å; C316-E320 PolarHBondContact O-N 2.91Å; C316-E321 PolarHBondContact N-O 3.11Å; C316-F323 HydrophobicContact CB-CD2 3.94Å; C316-F323 HydrophobicContact CB-CE2 3.96Å; C316-L328 HydrophobicContact CB-CD1 4.17Å; C316-H331 PolarHBondContact SG-CD2 2.82Å | ||
| 317 | E | 86.6 | Confident | 77 | Confident | 166 Ų | 166 | 87 Ų | 87 | 78% | 0.776 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -20.5 | -179.2 | -64.4 | -165.3 | 152.6 | 0 | 0 | 114.4 | ||
| 318 | F | 84.8 | Confident | 79 | Confident | 82 Ų | 82 | 82.3 Ų | 82.3 | 36% | 0.36 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | -26.3 | -176.8 | -59.9 | -69.2 | 0 | 0 | 0 | 115.1 | C316 E332 C335 P337 A340 | C316-F318 PolarHBondContact O-N 2.84Å; C316-F318 PolarHBondContact SG-N 2.92Å; C316-F318 VanDerWaalsContact SG-N 3.39Å; F318-E332 HydrophobicContact CD2-CG 4.46Å; F318-E332 HydrophobicContact CE2-CB 4.39Å; F318-C335 HydrophobicContact CB-CB 4.2Å; F318-C335 HydrophobicContact CD2-CB 4.28Å; F318-P337 HydrophobicContact CD1-CG 3.92Å; F318-P337 HydrophobicContact CE1-CG 4.22Å; F318-A340 WeakPolarHBondContact O-CB 3.19Å |
| 319 | C | 84.7 | Confident | 81.2 | Confident | 27 Ų | 27 | 85 Ų | 85 | 18% | 0.182 | 44% | 0.443 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -132.9 | -3.6 | -172.2 | 68.2 | 0 | 0 | 0 | 0 | 115.3 | C316 E321 H331 | C316-C319 VanDerWaalsContact CB-SG 3.56Å; C316-C319 PolarHBondContact O-N 3.31Å; C319-E321 PolarHBondContact O-N 2.79Å; C319-H331 PolarHBondContact SG-NE2 3.34Å |
| 320 | E | 83.3 | Confident | 82.7 | Confident | 152 Ų | 152 | 85.8 Ų | 85.8 | 71% | 0.71 | 44% | 0.441 | S | S | * | . | trans | 60.1 | 1.4 | -179.1 | -56.6 | 179.1 | -173.8 | 0 | 0 | 115.5 | C316 | C316-E320 PolarHBondContact O-N 2.91Š| ||
| 321 | E | 84.5 | Confident | 84.5 | Confident | 107 Ų | 107 | 83.5 Ų | 83.5 | 50% | 0.5 | 42% | 0.423 | S | S | . | . | trans | -69.7 | 140.6 | 170.9 | -66.4 | -174.1 | 165 | 0 | 0 | 110.4 | P315 C316 C319 F323 | P315-E321 WeakPolarHBondContact CA-O 3.43Å; C316-E321 PolarHBondContact N-O 3.11Å; C319-E321 PolarHBondContact O-N 2.79Å; E321-F323 HydrophobicContact CB-CE2 3.67Å; E321-F323 HydrophobicContact CB-CZ 3.9Å; E321-F323 VanDerWaalsContact O-CD2 3.26Å; E321-F323 WeakPolarHBondContact O-CD2 3.5Å; E321-F323 WeakPolarHBondContact O-CE2 3.45Å | ||
| 322 | L | 85.9 | Confident | 85.5 | Confident | 106 Ų | 106 | 78.8 Ų | 78.8 | 56% | 0.555 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 125.2 | -177.9 | -65.9 | 173.7 | 0 | 0 | 0 | 111.1 | M313 L314 P315 | M313-L322 HydrophobicContact CB-CB 4.42Å; M313-L322 HydrophobicContact CE-CB 3.91Å; M313-L322 VanDerWaalsContact CE-O 3.24Å; M313-L322 WeakPolarHBondContact CE-O 3.39Å; L314-L322 CarbonylContact O-C 3.59Å; L314-L322 WeakPolarHBondContact O-CA 3.35Å; P315-L322 HydrophobicContact CB-CD2 4Å; P315-L322 HydrophobicContact CG-CD2 4.47Å |
| 323 | F | 84.6 | Confident | 85.5 | Confident | 39 Ų | 39 | 82.3 Ų | 82.3 | 17% | 0.171 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 153 | 174.6 | -62.8 | -80.5 | 0 | 0 | 0 | 111.1 | M313 L314 C316 E321 L328 H331 | M313-F323 CarbonylContact C-O 3.57Å; M313-F323 WeakPolarHBondContact CA-O 3.46Å; L314-F323 PolarHBondContact N-O 2.96Å; L314-F323 PolarHBondContact O-N 3.4Å; C316-F323 HydrophobicContact CB-CD2 3.94Å; C316-F323 HydrophobicContact CB-CE2 3.96Å; E321-F323 HydrophobicContact CB-CE2 3.67Å; E321-F323 HydrophobicContact CB-CZ 3.9Å; E321-F323 VanDerWaalsContact O-CD2 3.26Å; E321-F323 WeakPolarHBondContact O-CD2 3.5Å; E321-F323 WeakPolarHBondContact O-CE2 3.45Å; F323-L328 HydrophobicContact CB-CB 4.48Å; F323-L328 HydrophobicContact CB-CD1 4.25Å; F323-L328 HydrophobicContact CD2-CD1 4.45Å; F323-H331 HydrophobicContact CD2-CB 4.36Å; F323-H331 AromaticContact CE1-ND1 3.58Å; F323-H331 HydrophobicContact CE2-CB 4.46Å; F323-H331 AromaticContact CE2-CD2 3.68Å; F323-H331 AromaticContact CE2-CE1 3.55Å; F323-H331 AromaticContact CE2-CG 3.66Å; F323-H331 AromaticContact CE2-ND1 3.59Å; F323-H331 AromaticContact CE2-NE2 3.64Å; F323-H331 HydrophobicContact CG-CB 4.41Å; F323-H331 AromaticContact CZ-CE1 3.25Å; F323-H331 WeakPolarHBondContact CZ-CE1 3.43Å; F323-H331 AromaticContact CZ-CG 3.76Å; F323-H331 AromaticContact CZ-ND1 3.2Å; F323-H331 WeakPolarHBondContact CZ-ND1 3.37Å; F323-H331 AromaticContact CZ-NE2 3.85Å |
| 324 | P | 90.9 | Very high | 85.1 | Confident | 32 Ų | 32 | 81.4 Ų | 81.4 | 21% | 0.208 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.4 | 150.5 | 166.4 | -21.2 | 32.5 | 0 | 0 | 0 | 111.6 | M313 E326 D327 L328 | M313-P324 HydrophobicContact CE-CG 4.5Å; M313-P324 HydrophobicContact SD-CB 4.41Å; M313-P324 HydrophobicContact SD-CG 3.91Å; P324-E326 HydrophobicContact CB-CG 4.14Å; P324-E326 WeakPolarHBondContact CB-OE2 3.35Å; P324-E326 PolarHBondContact O-N 3.39Å; P324-D327 PolarHBondContact O-N 3.1Å; P324-L328 PolarHBondContact O-N 3.14Å |
| 325 | E | 87.8 | Confident | 84.9 | Confident | 105 Ų | 105 | 79.2 Ų | 79.2 | 49% | 0.491 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -54 | -35.6 | 178.9 | -170 | 178.7 | 150.6 | 0 | 0 | 112.6 | T312 L314 | T312-E325 WeakPolarHBondContact CB-OE2 3.49Å; T312-E325 PolarHBondContact O-N 3.14Å; T312-E325 PolarHBondContact OG1-OE2 3.04Å; T312-E325 VanDerWaalsContact OG1-OE2 3.08Å; L314-E325 HydrophobicContact CD1-CB 4.47Å; L314-E325 HydrophobicContact CD1-CG 4.3Å |
| 326 | E | 83.4 | Confident | 84.4 | Confident | 129 Ų | 129 | 78.4 Ų | 78.4 | 60% | 0.603 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -71.4 | -27.4 | 177 | 61.3 | -96.7 | -122.1 | 0 | 0 | 114.9 | P324 | P324-E326 HydrophobicContact CB-CG 4.14Å; P324-E326 WeakPolarHBondContact CB-OE2 3.35Å; P324-E326 PolarHBondContact O-N 3.39Å |
| 327 | D | 83.6 | Confident | 83.5 | Confident | 82 Ų | 82 | 82 Ų | 82 | 44% | 0.439 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -101.1 | -21.1 | -176.1 | -84.4 | -26 | 0 | 0 | 0 | 112.6 | P324 I329 L330 H331 | P324-D327 PolarHBondContact O-N 3.1Å; D327-I329 PolarHBondContact O-N 2.82Å; D327-L330 WeakPolarHBondContact O-CB 3.44Å; D327-L330 PolarHBondContact O-N 2.96Å; D327-L330 VanDerWaalsContact O-N 3.11Å; D327-H331 PolarHBondContact O-N 2.82Å |
| 328 | L | 85.1 | Confident | 82.2 | Confident | 20 Ų | 20 | 77.5 Ų | 77.5 | 11% | 0.105 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -52 | -51.5 | -177.3 | -175.5 | 73.5 | 0 | 0 | 0 | 112.2 | L314 C316 F323 P324 L330 H331 E332 | L314-L328 HydrophobicContact CB-CD1 4.37Å; L314-L328 HydrophobicContact CB-CD2 3.89Å; L314-L328 HydrophobicContact CD1-CD2 3.94Å; C316-L328 HydrophobicContact CB-CD1 4.17Å; F323-L328 HydrophobicContact CB-CB 4.48Å; F323-L328 HydrophobicContact CB-CD1 4.25Å; F323-L328 HydrophobicContact CD2-CD1 4.45Å; P324-L328 PolarHBondContact O-N 3.14Å; L328-L330 VanDerWaalsContact C-N 3.29Å; L328-L330 PolarHBondContact O-N 2.81Å; L328-H331 WeakPolarHBondContact O-CB 3.37Å; L328-H331 PolarHBondContact O-N 2.88Å; L328-H331 VanDerWaalsContact O-N 3.09Å; L328-E332 HydrophobicContact CG-CG 4.43Å; L328-E332 WeakPolarHBondContact O-CG 3.02Å; L328-E332 PolarHBondContact O-N 3.38Å |
| 329 | I | 84.4 | Confident | 81.1 | Confident | 117 Ų | 117 | 76.3 Ų | 76.3 | 60% | 0.6 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -65.2 | -34.8 | -177.7 | -57 | 173.6 | 0 | 0 | 0 | 111.2 | D327 H331 T333 | D327-I329 PolarHBondContact O-N 2.82Å; I329-H331 VanDerWaalsContact C-N 3.34Å; I329-T333 WeakPolarHBondContact O-CB 3.45Å; I329-T333 WeakPolarHBondContact O-CG2 3.27Å; I329-T333 PolarHBondContact O-N 3.36Å; I329-T333 VanDerWaalsContact O-N 3.16Å; I329-T333 PolarHBondContact O-OG1 3.37Å |
| 330 | L | 85.8 | Confident | 79.7 | Confident | 127 Ų | 127 | 75.9 Ų | 75.9 | 67% | 0.665 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -71.7 | -31.4 | 176.2 | -177.5 | 60.5 | 0 | 0 | 0 | 111.6 | D327 L328 T333 | D327-L330 WeakPolarHBondContact O-CB 3.44Å; D327-L330 PolarHBondContact O-N 2.96Å; D327-L330 VanDerWaalsContact O-N 3.11Å; L328-L330 VanDerWaalsContact C-N 3.29Å; L328-L330 PolarHBondContact O-N 2.81Å; L330-T333 PolarHBondContact O-OG1 2.82Å |
| 331 | H | 85.8 | Confident | 78.4 | Confident | 51 Ų | 51 | 76.3 Ų | 76.3 | 24% | 0.236 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -73.4 | -50 | 172.3 | -177 | 96.2 | 0 | 0 | 0 | 111.7 | C316 C319 F323 D327 L328 I329 T333 G334 C335 | C316-H331 PolarHBondContact SG-CD2 2.82Å; C319-H331 PolarHBondContact SG-NE2 3.34Å; F323-H331 HydrophobicContact CD2-CB 4.36Å; F323-H331 AromaticContact CE1-ND1 3.58Å; F323-H331 HydrophobicContact CE2-CB 4.46Å; F323-H331 AromaticContact CE2-CD2 3.68Å; F323-H331 AromaticContact CE2-CE1 3.55Å; F323-H331 AromaticContact CE2-CG 3.66Å; F323-H331 AromaticContact CE2-ND1 3.59Å; F323-H331 AromaticContact CE2-NE2 3.64Å; F323-H331 HydrophobicContact CG-CB 4.41Å; F323-H331 AromaticContact CZ-CE1 3.25Å; F323-H331 WeakPolarHBondContact CZ-CE1 3.43Å; F323-H331 AromaticContact CZ-CG 3.76Å; F323-H331 AromaticContact CZ-ND1 3.2Å; F323-H331 WeakPolarHBondContact CZ-ND1 3.37Å; F323-H331 AromaticContact CZ-NE2 3.85Å; D327-H331 PolarHBondContact O-N 2.82Å; L328-H331 WeakPolarHBondContact O-CB 3.37Å; L328-H331 PolarHBondContact O-N 2.88Å; L328-H331 VanDerWaalsContact O-N 3.09Å; I329-H331 VanDerWaalsContact C-N 3.34Å; H331-T333 VanDerWaalsContact C-N 3.31Å; H331-T333 PolarHBondContact O-N 3.04Å; H331-G334 CarbonylContact O-C 3.55Å; H331-G334 WeakPolarHBondContact O-CA 3.43Å; H331-G334 PolarHBondContact O-N 3.38Å; H331-C335 WeakPolarHBondContact NE2-CB 3.34Å; H331-C335 PolarHBondContact NE2-SG 2.88Å; H331-C335 WeakPolarHBondContact O-CB 3.47Å; H331-C335 PolarHBondContact O-N 2.86Å |
| 332 | E | 86.2 | Confident | 76.9 | Confident | 48 Ų | 48 | 74.4 Ų | 74.4 | 22% | 0.224 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -59.3 | -39.3 | -177.9 | -75 | 173.4 | 166.3 | 0 | 0 | 112.5 | F318 L328 G334 C335 | F318-E332 HydrophobicContact CD2-CG 4.46Å; F318-E332 HydrophobicContact CE2-CB 4.39Å; L328-E332 HydrophobicContact CG-CG 4.43Å; L328-E332 WeakPolarHBondContact O-CG 3.02Å; L328-E332 PolarHBondContact O-N 3.38Å; E332-G334 PolarHBondContact O-N 3.48Å; E332-G334 VanDerWaalsContact O-N 3.17Å; E332-C335 PolarHBondContact O-N 3.07Å |
| 333 | T | 80.4 | Confident | 75.1 | Confident | 117 Ų | 117 | 72.6 Ų | 72.6 | 72% | 0.718 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -11 | 174.7 | 50.3 | 0 | 0 | 0 | 0 | 114.3 | I329 L330 H331 | I329-T333 WeakPolarHBondContact O-CB 3.45Å; I329-T333 WeakPolarHBondContact O-CG2 3.27Å; I329-T333 PolarHBondContact O-N 3.36Å; I329-T333 VanDerWaalsContact O-N 3.16Å; I329-T333 PolarHBondContact O-OG1 3.37Å; L330-T333 PolarHBondContact O-OG1 2.82Å; H331-T333 VanDerWaalsContact C-N 3.31Å; H331-T333 PolarHBondContact O-N 3.04Å |
| 334 | G | 76.3 | Confident | 73.4 | Confident | 66 Ų | 66 | 78.4 Ų | 78.4 | 68% | 0.68 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.7 | -9.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | H331 E332 S336 | H331-G334 CarbonylContact O-C 3.55Å; H331-G334 WeakPolarHBondContact O-CA 3.43Å; H331-G334 PolarHBondContact O-N 3.38Å; E332-G334 PolarHBondContact O-N 3.48Å; E332-G334 VanDerWaalsContact O-N 3.17Å; G334-S336 PolarHBondContact O-N 3.4Å |
| 335 | C | 83.7 | Confident | 71.1 | Confident | 16 Ų | 16 | 81.6 Ų | 81.6 | 11% | 0.108 | 48% | 0.478 | C | S | . | . | trans | -87.9 | 108 | -171.6 | -162.8 | 0 | 0 | 0 | 0 | 111.7 | F318 H331 E332 | F318-C335 HydrophobicContact CB-CB 4.2Å; F318-C335 HydrophobicContact CD2-CB 4.28Å; H331-C335 WeakPolarHBondContact NE2-CB 3.34Å; H331-C335 PolarHBondContact NE2-SG 2.88Å; H331-C335 WeakPolarHBondContact O-CB 3.47Å; H331-C335 PolarHBondContact O-N 2.86Å; E332-C335 PolarHBondContact O-N 3.07Å | ||
| 336 | S | 79 | Confident | 68.9 | Low | 55 Ų | 55 | 85.5 Ų | 85.5 | 39% | 0.385 | 49% | 0.493 | S | S | . | . | trans | -78.6 | 140.3 | 176.8 | 84.9 | 0 | 0 | 0 | 0 | 111.5 | G334 A338 S339 | G334-S336 PolarHBondContact O-N 3.4Å; S336-A338 PolarHBondContact O-N 2.79Å; S336-S339 WeakPolarHBondContact O-CB 3.38Å; S336-S339 PolarHBondContact O-N 3.11Å; S336-S339 PolarHBondContact O-OG 3.06Å; S336-S339 PolarHBondContact OG-N 3.06Å; S336-S339 PolarHBondContact OG-OG 3.05Å | ||
| 337 | P | 66.3 | Low | 66.6 | Low | 77 Ų | 77 | 88.5 Ų | 88.5 | 50% | 0.5 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -56.1 | -25.9 | 173.5 | -28 | 34.8 | 0 | 0 | 0 | 114.1 | F318 S339 A340 F341 | F318-P337 HydrophobicContact CD1-CG 3.92Å; F318-P337 HydrophobicContact CE1-CG 4.22Å; P337-S339 PolarHBondContact O-N 2.73Å; P337-A340 WeakPolarHBondContact O-CB 3.49Å; P337-A340 PolarHBondContact O-N 3.34Å; P337-F341 VanDerWaalsContact O-CD2 3.23Å; P337-F341 WeakPolarHBondContact O-CD2 3.49Å; P337-F341 WeakPolarHBondContact O-CE2 3.34Å |
| 338 | A | 60.9 | Low | 64.2 | Low | 73 Ų | 73 | 90.8 Ų | 90.8 | 60% | 0.603 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -66.5 | -23.1 | 175 | 0 | 0 | 0 | 0 | 0 | 113.3 | S336 | S336-A338 PolarHBondContact O-N 2.79Å |
| 339 | S | 59.8 | Low | 61.8 | Low | 57 Ų | 57 | 95.6 Ų | 95.6 | 40% | 0.399 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -66.7 | -36.7 | 177.6 | -55.6 | 0 | 0 | 0 | 0 | 112 | S336 P337 F341 A342 | S336-S339 WeakPolarHBondContact O-CB 3.38Å; S336-S339 PolarHBondContact O-N 3.11Å; S336-S339 PolarHBondContact O-OG 3.06Å; S336-S339 PolarHBondContact OG-N 3.06Å; S336-S339 PolarHBondContact OG-OG 3.05Å; P337-S339 PolarHBondContact O-N 2.73Å; S339-F341 PolarHBondContact O-N 2.88Å; S339-A342 WeakPolarHBondContact O-CB 3.23Å; S339-A342 PolarHBondContact O-N 2.9Å |
| 340 | A | 57 | Low | 59.4 | Low | 18 Ų | 18 | 94.9 Ų | 94.9 | 15% | 0.149 | 56% | 0.564 | C | S | . | * | H | α-helix | trans | -58.3 | -51.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | F318 P337 A342 S343 F344 | F318-A340 WeakPolarHBondContact O-CB 3.19Å; P337-A340 WeakPolarHBondContact O-CB 3.49Å; P337-A340 PolarHBondContact O-N 3.34Å; A340-A342 PolarHBondContact O-N 3Å; A340-A342 VanDerWaalsContact O-N 3.15Å; A340-S343 PolarHBondContact O-N 3.02Å; A340-S343 VanDerWaalsContact O-N 3.16Å; A340-F344 VanDerWaalsContact O-CD2 3.26Å; A340-F344 WeakPolarHBondContact O-CD2 3.5Å |
| 341 | F | 54.4 | Low | 57.2 | Low | 160 Ų | 160 | 94.6 Ų | 94.6 | 70% | 0.702 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -63.4 | -22.1 | -178.2 | -59.8 | -77.4 | 0 | 0 | 0 | 113.4 | P337 S339 | P337-F341 VanDerWaalsContact O-CD2 3.23Å; P337-F341 WeakPolarHBondContact O-CD2 3.49Å; P337-F341 WeakPolarHBondContact O-CE2 3.34Å; S339-F341 PolarHBondContact O-N 2.88Å |
| 342 | A | 53.1 | Low | 55 | Low | 67 Ų | 67 | 98 Ų | 98 | 55% | 0.554 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -74.3 | -33 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | S339 A340 | S339-A342 WeakPolarHBondContact O-CB 3.23Å; S339-A342 PolarHBondContact O-N 2.9Å; A340-A342 PolarHBondContact O-N 3Å; A340-A342 VanDerWaalsContact O-N 3.15Å |
| 343 | S | 49.3 | Very low | 52.5 | Low | 68 Ų | 68 | 105.7 Ų | 105.7 | 48% | 0.476 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -70.2 | -37.6 | -175.7 | -76.6 | 0 | 0 | 0 | 0 | 113.3 | A340 S345 K346 | A340-S343 PolarHBondContact O-N 3.02Å; A340-S343 VanDerWaalsContact O-N 3.16Å; S343-S345 PolarHBondContact O-N 3.28Å; S343-S345 VanDerWaalsContact O-N 3.1Å; S343-K346 PolarHBondContact O-N 2.82Å |
| 344 | F | 47.6 | Very low | 50.2 | Low | 161 Ų | 161 | 107.9 Ų | 107.9 | 71% | 0.706 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | -9.7 | -178.3 | -64.4 | -74.1 | 0 | 0 | 0 | 114.9 | A340 K346 | A340-F344 VanDerWaalsContact O-CD2 3.26Å; A340-F344 WeakPolarHBondContact O-CD2 3.5Å; F344-K346 VanDerWaalsContact C-N 3.29Å; F344-K346 PolarHBondContact O-N 3.19Å |
| 345 | S | 44.3 | Very low | 48.2 | Very low | 100 Ų | 100 | 110.3 Ų | 110.3 | 70% | 0.699 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | -6.9 | 178.7 | -71.7 | 0 | 0 | 0 | 0 | 114.9 | S343 K347 | S343-S345 PolarHBondContact O-N 3.28Å; S343-S345 VanDerWaalsContact O-N 3.1Å; S345-K347 PolarHBondContact O-N 2.83Å |
| 346 | K | 41.7 | Very low | 45.9 | Very low | 186 Ų | 186 | 119.4 Ų | 119.4 | 81% | 0.809 | 67% | 0.666 | S | S | * | * | trans | -85.7 | 87.1 | 178.9 | -77.1 | 170.9 | -177.8 | 160.7 | 0 | 112.3 | S343 F344 | S343-K346 PolarHBondContact O-N 2.82Å; F344-K346 VanDerWaalsContact C-N 3.29Å; F344-K346 PolarHBondContact O-N 3.19Å | ||
| 347 | K | 35.1 | Very low | 43.8 | Very low | 192 Ų | 192 | 125 Ų | 125 | 84% | 0.835 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 142.3 | 167 | -74.4 | -177.6 | 176.9 | 176.3 | 0 | 111.3 | S345 S349 | S345-K347 PolarHBondContact O-N 2.83Å; K347-S349 PolarHBondContact O-N 2.75Å |
| 348 | P | 33.3 | Very low | 42.2 | Very low | 130 Ų | 130 | 124.5 Ų | 124.5 | 84% | 0.844 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 131.7 | 179.6 | 27.7 | -34.6 | 0 | 0 | 0 | 111.6 | ||
| 349 | S | 33.3 | Very low | 41.2 | Very low | 122 Ų | 122 | 131.5 Ų | 131.5 | 85% | 0.853 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 137.3 | 173 | -170.7 | 0 | 0 | 0 | 0 | 111.1 | K347 | K347-S349 PolarHBondContact O-N 2.75Š|
| 350 | S | 34 | Very low | 40.1 | Very low | 101 Ų | 101 | 135.3 Ų | 135.3 | 71% | 0.706 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 157.8 | 179.9 | 49.9 | 0 | 0 | 0 | 0 | 113.7 | ||
| 351 | P | 39.7 | Very low | 38.9 | Very low | 121 Ų | 121 | 138.9 Ų | 138.9 | 79% | 0.786 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 162.1 | -174.5 | 27.2 | -36.2 | 0 | 0 | 0 | 115 | ||
| 352 | P | 40.6 | Very low | 38 | Very low | 123 Ų | 123 | 137.8 Ų | 137.8 | 80% | 0.799 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 160.4 | -160.5 | 34.2 | -38.2 | 0 | 0 | 0 | 115.5 | ||
| 353 | K | 33.5 | Very low | 37.1 | Very low | 210 Ų | 210 | 140.5 Ų | 140.5 | 91% | 0.913 | 78% | 0.775 | S | S | * | * | trans | -141.3 | 161.9 | 158.2 | -72 | -164.7 | 177 | -178.6 | 0 | 110.7 | ||||
| 354 | D | 32.6 | Very low | 36.2 | Very low | 162 Ų | 162 | 140.6 Ų | 140.6 | 87% | 0.866 | 79% | 0.787 | S | S | * | * | trans | -98.1 | 154.7 | -150.1 | -112.3 | -55.4 | 0 | 0 | 0 | 117.6 | ||||
| 355 | D | 32.9 | Very low | 35.6 | Very low | 118 Ų | 118 | 141.4 Ų | 141.4 | 63% | 0.631 | 80% | 0.798 | S | S | * | * | trans | 77.9 | 146.6 | 144.9 | -141.9 | 7.2 | 0 | 0 | 0 | 123.7 | ||||
| 356 | R | 34.9 | Very low | 35 | Very low | 206 Ų | 206 | 144.6 Ų | 144.6 | 78% | 0.777 | 80% | 0.803 | S | S | * | * | trans | 81.3 | 85.5 | 156.1 | -78.4 | 156 | -156.3 | -133.8 | -3.2 | 124.2 | ||||
| 357 | M | 36.7 | Very low | 34.6 | Very low | 174 Ų | 174 | 145 Ų | 145 | 86% | 0.857 | 81% | 0.808 | S | S | * | * | 86.6 | 107.9 | 103.2 | -170.8 | 62.2 | 67.2 | 0 | 0 | 121.9 | |||||
| 358 | G | 31.6 | Very low | 34.3 | Very low | 66 Ų | 66 | 142.4 Ų | 142.4 | 68% | 0.68 | 80% | 0.803 | S | S | * | * | trans | 107.9 | 150.7 | 142.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 359 | R | 40.7 | Very low | 34.1 | Very low | 219 Ų | 219 | 145.1 Ų | 145.1 | 83% | 0.826 | 80% | 0.802 | S | S | * | * | cis | -166.2 | 157 | -10.1 | -149.5 | -166.8 | -66.1 | 178.5 | 0.4 | 110.4 | ||||
| 360 | N | 35.6 | Very low | 34.9 | Very low | 138 Ų | 138 | 144 Ų | 144 | 74% | 0.738 | 79% | 0.792 | S | S | * | * | trans | 89.4 | 127.3 | 160.7 | -46.8 | -27.2 | 0 | 0 | 0 | 120.1 | ||||
| 361 | A | 32.5 | Very low | 34.8 | Very low | 93 Ų | 93 | 145.6 Ų | 145.6 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | trans | 60 | 141.8 | 142.1 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 362 | T | 34.3 | Very low | 34.3 | Very low | 137 Ų | 137 | 145.4 Ų | 145.4 | 84% | 0.84 | 79% | 0.79 | S | S | * | * | cis | -151.8 | 169.3 | 5.8 | -13.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 363 | S | 34.2 | Very low | 33.9 | Very low | 123 Ų | 123 | 148 Ų | 148 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | trans | -54.9 | 159.4 | 177.7 | -42.5 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 364 | G | 30.9 | Very low | 33.7 | Very low | 70 Ų | 70 | 141.9 Ų | 141.9 | 72% | 0.722 | 78% | 0.784 | S | S | * | * | cis | 156.3 | -165.4 | -3.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 365 | L | 34.2 | Very low | 33.7 | Very low | 179 Ų | 179 | 139.1 Ų | 139.1 | 94% | 0.937 | 78% | 0.777 | S | S | * | * | trans | 79.8 | 152.9 | 179.5 | -156.8 | 63.8 | 0 | 0 | 0 | 116.5 | ||||
| 366 | M | 33.7 | Very low | 33.6 | Very low | 167 Ų | 167 | 141.1 Ų | 141.1 | 82% | 0.823 | 79% | 0.788 | S | S | * | * | trans | -141.8 | 159 | -173.1 | -39.6 | -174.3 | 86.1 | 0 | 0 | 110.4 | ||||
| 367 | Q | 33.3 | Very low | 33.7 | Very low | 194 Ų | 194 | 138.7 Ų | 138.7 | 91% | 0.907 | 79% | 0.789 | S | S | * | * | 175.9 | 174.1 | 120.7 | -96.1 | -179.4 | 7.8 | 0 | 0 | 112.8 | |||||
| 368 | N | 28.8 | Very low | 34.1 | Very low | 137 Ų | 137 | 135.8 Ų | 135.8 | 73% | 0.733 | 78% | 0.783 | S | S | * | * | trans | -105.3 | 151.3 | -167.1 | -74.2 | -50.5 | 0 | 0 | 0 | 113.2 | ||||
| 369 | F | 27.7 | Very low | 34.1 | Very low | 187 Ų | 187 | 139 Ų | 139 | 82% | 0.82 | 79% | 0.79 | S | S | * | * | trans | 32 | 161.3 | 132.3 | -62.2 | -57.6 | 0 | 0 | 0 | 122.7 | ||||
| 370 | P | 50.2 | Low | 33.7 | Very low | 99 Ų | 99 | 138 Ų | 138 | 64% | 0.643 | 79% | 0.792 | S | S | * | * | cis | -145 | -165.2 | -28.6 | 38.3 | -17.3 | 0 | 0 | 0 | 115.3 | ||||
| 371 | N | 32.2 | Very low | 34.5 | Very low | 135 Ų | 135 | 136.9 Ų | 136.9 | 72% | 0.722 | 79% | 0.792 | S | S | * | * | trans | 93.9 | 119.5 | 142.2 | -76.5 | -2.3 | 0 | 0 | 0 | 124.8 | ||||
| 372 | T | 29.9 | Very low | 34.5 | Very low | 117 Ų | 117 | 144.5 Ų | 144.5 | 72% | 0.718 | 80% | 0.801 | S | S | * | * | trans | 58.6 | 125.6 | 132.9 | 63.6 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 373 | L | 31.1 | Very low | 34.6 | Very low | 178 Ų | 178 | 143 Ų | 143 | 93% | 0.932 | 80% | 0.796 | S | S | * | * | -161.3 | 178.6 | 101.4 | -135.9 | 86.7 | 0 | 0 | 0 | 112.7 | |||||
| 374 | A | 29.1 | Very low | 34.4 | Very low | 81 Ų | 81 | 144.2 Ų | 144.2 | 67% | 0.669 | 80% | 0.798 | S | S | * | * | trans | -114.7 | 159.9 | -151.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 375 | S | 33.9 | Very low | 34.5 | Very low | 103 Ų | 103 | 146.2 Ų | 146.2 | 72% | 0.72 | 80% | 0.801 | S | S | * | * | trans | 56 | 132.8 | 143.7 | -58.3 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 376 | N | 30.5 | Very low | 35 | Very low | 161 Ų | 161 | 143.4 Ų | 143.4 | 86% | 0.861 | 79% | 0.793 | S | S | * | * | -178.5 | 151.4 | 114.9 | -99 | -72.9 | 0 | 0 | 0 | 113 | |||||
| 377 | I | 36.2 | Very low | 34.8 | Very low | 155 Ų | 155 | 140 Ų | 140 | 80% | 0.795 | 79% | 0.792 | S | S | * | * | trans | -148.5 | 137.9 | -173.7 | -64.9 | 178.4 | 0 | 0 | 0 | 105.6 | ||||
| 378 | P | 46.3 | Very low | 34.6 | Very low | 113 Ų | 113 | 136.2 Ų | 136.2 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | -153.6 | 173.5 | 61 | 42.1 | -21.6 | 0 | 0 | 0 | 118.9 | |||||
| 379 | T | 30.3 | Very low | 34.8 | Very low | 133 Ų | 133 | 140.2 Ų | 140.2 | 82% | 0.816 | 79% | 0.793 | S | S | * | * | trans | -174.9 | 141.6 | 135.7 | -76.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 380 | F | 33 | Very low | 35 | Very low | 199 Ų | 199 | 136 Ų | 136 | 87% | 0.873 | 79% | 0.786 | S | S | * | * | trans | -144 | 172.7 | 169.5 | -96 | -78.5 | 0 | 0 | 0 | 107.3 | ||||
| 381 | P | 53.4 | Low | 34.7 | Very low | 114 Ų | 114 | 136 Ų | 136 | 74% | 0.74 | 79% | 0.786 | S | S | * | * | cis | -130.3 | 171.9 | -7.8 | 39.7 | -24.8 | 0 | 0 | 0 | 114.8 | ||||
| 382 | R | 30.6 | Very low | 35.2 | Very low | 252 Ų | 252 | 135.4 Ų | 135.4 | 95% | 0.951 | 79% | 0.79 | S | S | * | * | trans | -157.5 | 153.6 | 140.3 | -138.5 | 172.3 | -178.3 | 166 | 1.1 | 112.4 | ||||
| 383 | S | 37.1 | Very low | 35.3 | Very low | 105 Ų | 105 | 134.3 Ų | 134.3 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | trans | -126.1 | 141.2 | -172.8 | 47 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 384 | V | 31.1 | Very low | 35.6 | Very low | 149 Ų | 149 | 131 Ų | 131 | 90% | 0.903 | 78% | 0.784 | S | S | * | * | trans | -173.1 | 146.3 | 131.7 | -93 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 385 | S | 32.2 | Very low | 36.4 | Very low | 112 Ų | 112 | 132.5 Ų | 132.5 | 78% | 0.783 | 79% | 0.788 | S | S | * | * | trans | -82 | 179.1 | 174.8 | -46.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 386 | P | 44.1 | Very low | 36.9 | Very low | 120 Ų | 120 | 134.3 Ų | 134.3 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | cis | -142.4 | -178 | 11.5 | 44.1 | -25 | 0 | 0 | 0 | 118.2 | ||||
| 387 | A | 31 | Very low | 37.7 | Very low | 97 Ų | 97 | 136.9 Ų | 136.9 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | trans | 71.5 | 99.2 | 151 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 388 | S | 28.8 | Very low | 38.6 | Very low | 113 Ų | 113 | 132.2 Ų | 132.2 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | trans | -160.5 | 97.6 | 131.3 | 48.8 | 0 | 0 | 0 | 0 | 111.3 | S390 | S388-S390 PolarHBondContact O-N 3.18Š| ||
| 389 | Y | 31.6 | Very low | 39.1 | Very low | 222 Ų | 222 | 131.4 Ų | 131.4 | 87% | 0.871 | 78% | 0.775 | S | S | * | * | trans | -89.8 | 93.9 | 168.6 | -167.3 | -88.6 | 0 | 0 | 0 | 108.9 | ||||
| 390 | S | 33.4 | Very low | 41.1 | Very low | 97 Ų | 97 | 129.2 Ų | 129.2 | 68% | 0.678 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 122.1 | 169.9 | -61.1 | 0 | 0 | 0 | 0 | 109 | S388 | S388-S390 PolarHBondContact O-N 3.18Š|
| 391 | P | 44.1 | Very low | 43.2 | Very low | 99 Ų | 99 | 124 Ų | 124 | 64% | 0.643 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 146.7 | 167.9 | 29.6 | -33.8 | 0 | 0 | 0 | 109.7 | ||
| 392 | P | 41.6 | Very low | 44.6 | Very low | 124 Ų | 124 | 121.2 Ų | 121.2 | 81% | 0.805 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 149.8 | 165.2 | 28.5 | -33.5 | 0 | 0 | 0 | 109.9 | ||
| 393 | A | 33.3 | Very low | 46.9 | Very low | 93 Ų | 93 | 112.9 Ų | 112.9 | 77% | 0.769 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 134.5 | -167.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 394 | S | 37.2 | Very low | 49.1 | Very low | 108 Ų | 108 | 108 Ų | 108 | 76% | 0.755 | 67% | 0.668 | S | S | * | * | trans | 58.1 | 135.6 | 160.5 | -59.5 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 395 | P | 45.2 | Very low | 51.3 | Low | 114 Ų | 114 | 108.7 Ų | 108.7 | 74% | 0.74 | 66% | 0.662 | S | S | * | * | trans | -60.2 | 152.7 | 170.7 | -20.4 | 32.5 | 0 | 0 | 0 | 112.4 | ||||
| 396 | L | 43.8 | Very low | 53.5 | Low | 141 Ų | 141 | 107 Ų | 107 | 74% | 0.738 | 64% | 0.64 | S | S | * | * | trans | -79.8 | 139.4 | 162.1 | -60.3 | 178 | 0 | 0 | 0 | 108.2 | G398 | L396-G398 VanDerWaalsContact C-N 3.27Å; L396-G398 PolarHBondContact O-N 3.33Å | ||
| 397 | E | 48.8 | Very low | 55.4 | Low | 214 Ų | 214 | 104 Ų | 104 | 100% | 1 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | 83.1 | 175.8 | -71.8 | 174.1 | 95 | 0 | 0 | 110 | ||
| 398 | G | 54.5 | Low | 57.5 | Low | 58 Ų | 58 | 102 Ų | 102 | 60% | 0.598 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 179.8 | -15.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | L396 V400 | L396-G398 VanDerWaalsContact C-N 3.27Å; L396-G398 PolarHBondContact O-N 3.33Å; G398-V400 PolarHBondContact O-N 3.4Å |
| 399 | D | 57.3 | Low | 60 | Low | 96 Ų | 96 | 100.3 Ų | 100.3 | 51% | 0.513 | 60% | 0.595 | S | S | . | * | trans | -69.3 | 99.9 | -175 | -61 | -40.6 | 0 | 0 | 0 | 112.1 | V401 | D399-V401 PolarHBondContact O-N 2.95Š| ||
| 400 | V | 70.8 | Confident | 62.5 | Low | 86 Ų | 86 | 92.9 Ų | 92.9 | 52% | 0.521 | 58% | 0.58 | S | S | . | * | trans | -74.2 | 95.1 | 178 | -175.3 | 0 | 0 | 0 | 0 | 109 | G398 I402 E413 | G398-V400 PolarHBondContact O-N 3.4Å; V400-I402 HydrophobicContact CG1-CD1 4.28Å; V400-I402 HydrophobicContact CG1-CG1 3.94Å; V400-E413 PolarHBondContact O-N 3.32Å | ||
| 401 | V | 78.6 | Confident | 64.8 | Low | 89 Ų | 89 | 89.9 Ų | 89.9 | 54% | 0.539 | 56% | 0.556 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -80 | 118.8 | 171.6 | -69.1 | 0 | 0 | 0 | 0 | 110.6 | D399 L411 E412 | D399-V401 PolarHBondContact O-N 2.95Å; V401-L411 CarbonylContact C-O 3.53Å; V401-L411 VanDerWaalsContact CA-O 3.32Å; V401-L411 WeakPolarHBondContact CA-O 3.29Å; V401-E412 HydrophobicContact CG1-CG 4.2Å |
| 402 | I | 81.9 | Confident | 66.7 | Low | 57 Ų | 57 | 90.2 Ų | 90.2 | 29% | 0.292 | 55% | 0.549 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 134.9 | -179.6 | -57.4 | 179.3 | 0 | 0 | 0 | 107.8 | V400 C404 L411 L416 | V400-I402 HydrophobicContact CG1-CD1 4.28Å; V400-I402 HydrophobicContact CG1-CG1 3.94Å; I402-C404 PolarHBondContact O-N 2.8Å; I402-L411 PolarHBondContact N-O 3.11Å; I402-L411 PolarHBondContact O-N 3.41Å; I402-L416 HydrophobicContact CB-CD1 4.03Å; I402-L416 HydrophobicContact CB-CD2 3.89Å; I402-L416 HydrophobicContact CD1-CD2 4.15Å; I402-L416 HydrophobicContact CG2-CD1 4.09Å; I402-L416 HydrophobicContact CG2-CD2 3.73Å; I402-L416 WeakPolarHBondContact O-CD1 3.4Å |
| 403 | P | 78.4 | Confident | 68.4 | Low | 77 Ų | 77 | 89.3 Ų | 89.3 | 50% | 0.5 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 129.7 | 171.4 | 28.7 | -33.2 | 0 | 0 | 0 | 110.3 | E405 | P403-E405 PolarHBondContact O-N 2.94Å |
| 404 | C | 83.2 | Confident | 70.3 | Confident | 2 Ų | 2 | 88.5 Ų | 88.5 | 1% | 0.014 | 53% | 0.528 | C | S | . | . | trans | -58 | 123.2 | 171 | 174.5 | 0 | 0 | 0 | 0 | 110.4 | I402 F406 C407 G408 V409 L411 L416 H419 | I402-C404 PolarHBondContact O-N 2.8Å; C404-F406 PolarHBondContact O-N 3.36Å; C404-F406 VanDerWaalsContact O-N 3.08Å; C404-C407 VanDerWaalsContact CB-SG 3.58Å; C404-C407 PolarHBondContact O-N 2.95Å; C404-C407 VanDerWaalsContact SG-SG 3.62Å; C404-G408 WeakPolarHBondContact O-CA 3.46Å; C404-G408 PolarHBondContact O-N 3.43Å; C404-V409 PolarHBondContact N-O 3.39Å; C404-L411 HydrophobicContact CB-CD1 4.5Å; C404-L416 HydrophobicContact CB-CD1 4.36Å; C404-H419 PolarHBondContact SG-CD2 3.2Å | ||
| 405 | E | 77.9 | Confident | 72.3 | Confident | 164 Ų | 164 | 86.6 Ų | 86.6 | 77% | 0.766 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -18.4 | -176.3 | -59.4 | -172.1 | 157.2 | 0 | 0 | 113.9 | P403 | P403-E405 PolarHBondContact O-N 2.94Š|
| 406 | F | 79.2 | Confident | 73.9 | Confident | 75 Ų | 75 | 81.6 Ų | 81.6 | 33% | 0.329 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -27.7 | -179.3 | -59 | -85.5 | 0 | 0 | 0 | 114.4 | C404 Q420 C423 D424 | C404-F406 PolarHBondContact O-N 3.36Å; C404-F406 VanDerWaalsContact O-N 3.08Å; F406-Q420 HydrophobicContact CD2-CB 4.2Å; F406-Q420 HydrophobicContact CD2-CG 4.1Å; F406-Q420 HydrophobicContact CE2-CB 3.93Å; F406-Q420 HydrophobicContact CE2-CG 4.09Å; F406-C423 HydrophobicContact CB-CB 4.14Å; F406-D424 HydrophobicContact CD1-CB 4.39Å; F406-D424 HydrophobicContact CE1-CB 3.93Å; F406-D424 WeakPolarHBondContact CE1-OD1 3.49Å; F406-D424 HydrophobicContact CE2-CB 4.41Å; F406-D424 HydrophobicContact CZ-CB 3.94Å |
| 407 | C | 82.1 | Confident | 75.4 | Confident | 59 Ų | 59 | 80.9 Ų | 80.9 | 40% | 0.399 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -137 | -1.6 | -173.1 | 72.5 | 0 | 0 | 0 | 0 | 115.4 | C404 V409 H419 | C404-C407 VanDerWaalsContact CB-SG 3.58Å; C404-C407 PolarHBondContact O-N 2.95Å; C404-C407 VanDerWaalsContact SG-SG 3.62Å; C407-V409 PolarHBondContact O-N 2.93Å; C407-V409 VanDerWaalsContact O-N 3.14Å; C407-H419 PolarHBondContact SG-NE2 3.11Å |
| 408 | G | 75.2 | Confident | 76.8 | Confident | 55 Ų | 55 | 76.8 Ų | 76.8 | 57% | 0.567 | 45% | 0.45 | S | S | * | . | trans | 72.1 | -3.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | C404 A410 | C404-G408 WeakPolarHBondContact O-CA 3.46Å; C404-G408 PolarHBondContact O-N 3.43Å; G408-A410 PolarHBondContact O-N 3.35Å | ||
| 409 | V | 82.8 | Confident | 78 | Confident | 76 Ų | 76 | 76.8 Ų | 76.8 | 46% | 0.461 | 43% | 0.434 | S | S | . | . | trans | -67.6 | 123 | 178.7 | -179.1 | 0 | 0 | 0 | 0 | 109.8 | C404 C407 L411 | C404-V409 PolarHBondContact N-O 3.39Å; C407-V409 PolarHBondContact O-N 2.93Å; C407-V409 VanDerWaalsContact O-N 3.14Å; V409-L411 HydrophobicContact CG1-CD2 3.96Å; V409-L411 HydrophobicContact CG1-CG 4.07Å; V409-L411 PolarHBondContact O-N 3.34Å | ||
| 410 | A | 84 | Confident | 78.9 | Confident | 66 Ų | 66 | 73.8 Ų | 73.8 | 55% | 0.545 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 122.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | G408 | G408-A410 PolarHBondContact O-N 3.35Å |
| 411 | L | 81.6 | Confident | 78.8 | Confident | 34 Ų | 34 | 74.9 Ų | 74.9 | 18% | 0.178 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 148.1 | -176.6 | -65.1 | 173 | 0 | 0 | 0 | 110.2 | V401 I402 C404 V409 V415 L416 H419 | V401-L411 CarbonylContact C-O 3.53Å; V401-L411 VanDerWaalsContact CA-O 3.32Å; V401-L411 WeakPolarHBondContact CA-O 3.29Å; I402-L411 PolarHBondContact N-O 3.11Å; I402-L411 PolarHBondContact O-N 3.41Å; C404-L411 HydrophobicContact CB-CD1 4.5Å; V409-L411 HydrophobicContact CG1-CD2 3.96Å; V409-L411 HydrophobicContact CG1-CG 4.07Å; V409-L411 PolarHBondContact O-N 3.34Å; L411-V415 HydrophobicContact CD2-CG1 4.46Å; L411-L416 HydrophobicContact CB-CD1 4.37Å; L411-H419 HydrophobicContact CD1-CB 3.54Å; L411-H419 WeakPolarHBondContact CD1-CD2 3.46Å |
| 412 | E | 83 | Confident | 78.3 | Confident | 106 Ų | 106 | 77.2 Ų | 77.2 | 50% | 0.495 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 141.2 | 170.4 | -67 | 157.6 | -152.3 | 0 | 0 | 110.6 | V401 A414 V415 L416 | V401-E412 HydrophobicContact CG1-CG 4.2Å; E412-A414 VanDerWaalsContact C-N 3.25Å; E412-A414 PolarHBondContact O-N 3.48Å; E412-A414 VanDerWaalsContact O-N 3.1Å; E412-V415 HydrophobicContact CB-CG2 4.46Å; E412-V415 CarbonylContact O-C 3.6Å; E412-V415 WeakPolarHBondContact O-CA 3.49Å; E412-V415 PolarHBondContact O-N 3.07Å; E412-L416 PolarHBondContact O-N 3.23Å |
| 413 | E | 76.8 | Confident | 77.7 | Confident | 105 Ų | 105 | 75.3 Ų | 75.3 | 49% | 0.491 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -47.1 | -42.4 | -177 | -175.1 | 176.7 | -176.4 | 0 | 0 | 114 | V400 V415 L416 F417 | V400-E413 PolarHBondContact O-N 3.32Å; E413-V415 VanDerWaalsContact C-N 3.29Å; E413-V415 PolarHBondContact O-N 3.38Å; E413-L416 WeakPolarHBondContact O-CB 3.45Å; E413-L416 PolarHBondContact O-N 3.22Å; E413-F417 HydrophobicContact CG-CE2 4.02Å; E413-F417 VanDerWaalsContact O-CD2 3.25Å; E413-F417 WeakPolarHBondContact O-CD2 3.37Å |
| 414 | A | 74.8 | Confident | 77.1 | Confident | 77 Ų | 77 | 76 Ų | 76 | 64% | 0.636 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -66 | -27.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | E412 H418 | E412-A414 VanDerWaalsContact C-N 3.25Å; E412-A414 PolarHBondContact O-N 3.48Å; E412-A414 VanDerWaalsContact O-N 3.1Å; A414-H418 PolarHBondContact O-ND1 3.17Å; A414-H418 VanDerWaalsContact O-ND1 3.13Å |
| 415 | V | 77.6 | Confident | 75.3 | Confident | 68 Ų | 68 | 82.3 Ų | 82.3 | 41% | 0.412 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -90.2 | -30.4 | 176.8 | -176.3 | 0 | 0 | 0 | 0 | 110.8 | L411 E412 E413 F417 H418 H419 | L411-V415 HydrophobicContact CD2-CG1 4.46Å; E412-V415 HydrophobicContact CB-CG2 4.46Å; E412-V415 CarbonylContact O-C 3.6Å; E412-V415 WeakPolarHBondContact O-CA 3.49Å; E412-V415 PolarHBondContact O-N 3.07Å; E413-V415 VanDerWaalsContact C-N 3.29Å; E413-V415 PolarHBondContact O-N 3.38Å; V415-F417 PolarHBondContact O-N 3.03Å; V415-H418 PolarHBondContact O-N 3.18Å; V415-H419 VanDerWaalsContact O-CB 3.29Å; V415-H419 WeakPolarHBondContact O-CB 3.42Å; V415-H419 PolarHBondContact O-N 3.48Å |
| 416 | L | 80.7 | Confident | 73.9 | Confident | 8 Ų | 8 | 83.5 Ų | 83.5 | 4% | 0.042 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -51.7 | -53.8 | -178.6 | -170.4 | 83.6 | 0 | 0 | 0 | 112 | I402 C404 L411 E412 E413 H418 H419 Q420 | I402-L416 HydrophobicContact CB-CD1 4.03Å; I402-L416 HydrophobicContact CB-CD2 3.89Å; I402-L416 HydrophobicContact CD1-CD2 4.15Å; I402-L416 HydrophobicContact CG2-CD1 4.09Å; I402-L416 HydrophobicContact CG2-CD2 3.73Å; I402-L416 WeakPolarHBondContact O-CD1 3.4Å; C404-L416 HydrophobicContact CB-CD1 4.36Å; L411-L416 HydrophobicContact CB-CD1 4.37Å; E412-L416 PolarHBondContact O-N 3.23Å; E413-L416 WeakPolarHBondContact O-CB 3.45Å; E413-L416 PolarHBondContact O-N 3.22Å; L416-H418 PolarHBondContact O-N 3.47Å; L416-H419 CarbonylContact O-C 3.51Å; L416-H419 PolarHBondContact O-N 3.14Å; L416-H419 VanDerWaalsContact O-N 3.12Å; L416-Q420 HydrophobicContact CG-CG 4.22Å; L416-Q420 WeakPolarHBondContact O-CB 3.41Å; L416-Q420 WeakPolarHBondContact O-CG 3.5Å; L416-Q420 PolarHBondContact O-N 3.31Å |
| 417 | F | 75.2 | Confident | 72.4 | Confident | 126 Ų | 126 | 84.7 Ų | 84.7 | 55% | 0.553 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -58.9 | -49.2 | -177.5 | -66.2 | -77 | 0 | 0 | 0 | 112.5 | E413 V415 H419 Q420 D421 | E413-F417 HydrophobicContact CG-CE2 4.02Å; E413-F417 VanDerWaalsContact O-CD2 3.25Å; E413-F417 WeakPolarHBondContact O-CD2 3.37Å; V415-F417 PolarHBondContact O-N 3.03Å; F417-H419 PolarHBondContact O-N 2.86Å; F417-Q420 PolarHBondContact O-N 2.92Å; F417-D421 WeakPolarHBondContact O-CB 3.4Å; F417-D421 PolarHBondContact O-N 3.42Å |
| 418 | H | 77.6 | Confident | 70.6 | Confident | 129 Ų | 129 | 91 Ų | 91 | 60% | 0.597 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -67.5 | -21.7 | 178.5 | -65.1 | 103.4 | 0 | 0 | 0 | 113.6 | A414 V415 L416 K422 | A414-H418 PolarHBondContact O-ND1 3.17Å; A414-H418 VanDerWaalsContact O-ND1 3.13Å; V415-H418 PolarHBondContact O-N 3.18Å; L416-H418 PolarHBondContact O-N 3.47Å; H418-K422 WeakPolarHBondContact O-CD 3.42Å; H418-K422 WeakPolarHBondContact O-CG 3.27Å |
| 419 | H | 79.9 | Confident | 68.9 | Low | 57 Ų | 57 | 92.5 Ų | 92.5 | 26% | 0.264 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -87.9 | -40.5 | 175.1 | 175 | 83.5 | 0 | 0 | 0 | 111.9 | C404 C407 L411 V415 L416 F417 K422 C423 | C404-H419 PolarHBondContact SG-CD2 3.2Å; C407-H419 PolarHBondContact SG-NE2 3.11Å; L411-H419 HydrophobicContact CD1-CB 3.54Å; L411-H419 WeakPolarHBondContact CD1-CD2 3.46Å; V415-H419 VanDerWaalsContact O-CB 3.29Å; V415-H419 WeakPolarHBondContact O-CB 3.42Å; V415-H419 PolarHBondContact O-N 3.48Å; L416-H419 CarbonylContact O-C 3.51Å; L416-H419 PolarHBondContact O-N 3.14Å; L416-H419 VanDerWaalsContact O-N 3.12Å; F417-H419 PolarHBondContact O-N 2.86Å; H419-K422 CarbonylContact O-C 3.54Å; H419-K422 PolarHBondContact O-N 2.9Å; H419-K422 VanDerWaalsContact O-N 3.14Å; H419-C423 WeakPolarHBondContact O-CB 3.21Å; H419-C423 PolarHBondContact O-N 2.67Å |
| 420 | Q | 75.1 | Confident | 66.7 | Low | 33 Ų | 33 | 91.9 Ų | 91.9 | 15% | 0.154 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -56.4 | -53.3 | 175.8 | -80.7 | 176 | -56.9 | 0 | 0 | 110.3 | F406 L416 F417 K422 C423 D424 | F406-Q420 HydrophobicContact CD2-CB 4.2Å; F406-Q420 HydrophobicContact CD2-CG 4.1Å; F406-Q420 HydrophobicContact CE2-CB 3.93Å; F406-Q420 HydrophobicContact CE2-CG 4.09Å; L416-Q420 HydrophobicContact CG-CG 4.22Å; L416-Q420 WeakPolarHBondContact O-CB 3.41Å; L416-Q420 WeakPolarHBondContact O-CG 3.5Å; L416-Q420 PolarHBondContact O-N 3.31Å; F417-Q420 PolarHBondContact O-N 2.92Å; Q420-K422 PolarHBondContact O-N 2.88Å; Q420-C423 PolarHBondContact O-N 2.88Å; Q420-D424 PolarHBondContact O-N 2.86Å |
| 421 | D | 70.3 | Confident | 64.6 | Low | 110 Ų | 110 | 98.2 Ų | 98.2 | 59% | 0.588 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -47.6 | -42.5 | 172.8 | 176.9 | 80 | 0 | 0 | 0 | 112.9 | F417 M425 | F417-D421 WeakPolarHBondContact O-CB 3.4Å; F417-D421 PolarHBondContact O-N 3.42Å; D421-M425 WeakPolarHBondContact O-CG 3.2Å |
| 422 | K | 66 | Low | 62.7 | Low | 138 Ų | 138 | 105.3 Ų | 105.3 | 60% | 0.6 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -91.1 | -8.2 | -178.2 | -65.4 | 179.1 | -175.9 | 175 | 0 | 114.6 | H418 H419 Q420 | H418-K422 WeakPolarHBondContact O-CD 3.42Å; H418-K422 WeakPolarHBondContact O-CG 3.27Å; H419-K422 CarbonylContact O-C 3.54Å; H419-K422 PolarHBondContact O-N 2.9Å; H419-K422 VanDerWaalsContact O-N 3.14Å; Q420-K422 PolarHBondContact O-N 2.88Å |
| 423 | C | 70.5 | Confident | 60.6 | Low | 17 Ų | 17 | 108.1 Ų | 108.1 | 12% | 0.115 | 56% | 0.563 | C | S | . | * | H | α-helix | trans | -95.9 | -36.3 | 178.1 | -166 | 0 | 0 | 0 | 0 | 111.1 | F406 H419 Q420 M425 R426 T427 | F406-C423 HydrophobicContact CB-CB 4.14Å; H419-C423 WeakPolarHBondContact O-CB 3.21Å; H419-C423 PolarHBondContact O-N 2.67Å; Q420-C423 PolarHBondContact O-N 2.88Å; C423-M425 PolarHBondContact O-N 2.85Å; C423-R426 PolarHBondContact O-N 3.36Å; C423-T427 PolarHBondContact O-OG1 3.09Å |
| 424 | D | 64.9 | Low | 58.3 | Low | 91 Ų | 91 | 110.4 Ų | 110.4 | 49% | 0.487 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -52.1 | -42.3 | 168.9 | -154.8 | 10.7 | 0 | 0 | 0 | 110 | F406 Q420 R426 | F406-D424 HydrophobicContact CD1-CB 4.39Å; F406-D424 HydrophobicContact CE1-CB 3.93Å; F406-D424 WeakPolarHBondContact CE1-OD1 3.49Å; F406-D424 HydrophobicContact CE2-CB 4.41Å; F406-D424 HydrophobicContact CZ-CB 3.94Å; Q420-D424 PolarHBondContact O-N 2.86Å; D424-R426 VanDerWaalsContact C-N 3.28Å; D424-R426 PolarHBondContact O-N 2.71Å |
| 425 | M | 45.3 | Very low | 56.2 | Low | 135 Ų | 135 | 113.7 Ų | 113.7 | 67% | 0.665 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | 4.7 | 177.1 | -62.6 | -61.5 | -73.5 | 0 | 0 | 116.4 | D421 C423 | D421-M425 WeakPolarHBondContact O-CG 3.2Å; C423-M425 PolarHBondContact O-N 2.85Å |
| 426 | R | 48.5 | Very low | 53.8 | Low | 189 Ų | 189 | 118 Ų | 118 | 71% | 0.713 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -140.7 | 9.5 | -168.2 | -100.3 | -171.6 | -177.6 | -160.2 | 0.8 | 119.3 | C423 D424 E428 A429 | C423-R426 PolarHBondContact O-N 3.36Å; D424-R426 VanDerWaalsContact C-N 3.28Å; D424-R426 PolarHBondContact O-N 2.71Å; R426-E428 PolarHBondContact O-N 3.01Å; R426-A429 PolarHBondContact O-N 2.87Å |
| 427 | T | 48.9 | Very low | 51.3 | Low | 99 Ų | 99 | 122 Ų | 122 | 61% | 0.607 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | -9.8 | -174.2 | -43.1 | 0 | 0 | 0 | 0 | 115.3 | C423 | C423-T427 PolarHBondContact O-OG1 3.09Š|
| 428 | E | 43.4 | Very low | 49.4 | Very low | 193 Ų | 193 | 123.3 Ų | 123.3 | 90% | 0.902 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -14.1 | 171.9 | -81.7 | -85.7 | 108.9 | 0 | 0 | 114.8 | R426 | R426-E428 PolarHBondContact O-N 3.01Š|
| 429 | A | 40.7 | Very low | 47.3 | Very low | 85 Ų | 85 | 126.1 Ų | 126.1 | 70% | 0.702 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -141 | 58.1 | -166.4 | 0 | 0 | 0 | 0 | 0 | 115 | R426 | R426-A429 PolarHBondContact O-N 2.87Š|
| 430 | G | 36.7 | Very low | 45 | Very low | 63 Ų | 63 | 132 Ų | 132 | 65% | 0.649 | 70% | 0.695 | S | S | * | * | trans | -141 | -24.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 117.9 | Q432 | G430-Q432 PolarHBondContact O-N 3.18Š| ||
| 431 | H | 39.8 | Very low | 43.1 | Very low | 199 Ų | 199 | 136.2 Ų | 136.2 | 92% | 0.921 | 73% | 0.726 | S | S | * | * | trans | -84.5 | 79.5 | -175.5 | -82.4 | -155.2 | 0 | 0 | 0 | 113 | ||||
| 432 | Q | 40.6 | Very low | 41.2 | Very low | 184 Ų | 184 | 138.7 Ų | 138.7 | 86% | 0.86 | 74% | 0.738 | S | S | * | * | trans | 175.5 | 94.3 | 144.4 | -87.4 | -120.1 | 65.4 | 0 | 0 | 110.7 | G430 | G430-Q432 PolarHBondContact O-N 3.18Š| ||
| 433 | L | 39 | Very low | 39.3 | Very low | 165 Ų | 165 | 135.3 Ų | 135.3 | 86% | 0.864 | 74% | 0.742 | S | S | * | * | trans | 174.3 | 101.6 | 146.2 | -100.4 | 174.4 | 0 | 0 | 0 | 110 | ||||
| 434 | N | 29.1 | Very low | 37.9 | Very low | 153 Ų | 153 | 141.4 Ų | 141.4 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -175.6 | 157 | 138.7 | -100.1 | -34.4 | 0 | 0 | 0 | 113.4 | ||||
| 435 | N | 30 | Very low | 36.2 | Very low | 145 Ų | 145 | 142.1 Ų | 142.1 | 78% | 0.775 | 80% | 0.801 | S | S | * | * | trans | 77.6 | 81.7 | 167.6 | -56.7 | -23.6 | 0 | 0 | 0 | 118.9 | ||||
| 436 | T | 28.7 | Very low | 35.3 | Very low | 158 Ų | 158 | 139.1 Ų | 139.1 | 97% | 0.969 | 80% | 0.804 | S | S | * | * | trans | -151.5 | 71.4 | 141.1 | -10.1 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 437 | A | 27.7 | Very low | 34.3 | Very low | 92 Ų | 92 | 138 Ų | 138 | 76% | 0.76 | 81% | 0.812 | S | S | * | * | trans | -145 | 141.1 | 151.2 | 0 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 438 | I | 34.2 | Very low | 33.3 | Very low | 155 Ų | 155 | 137.6 Ų | 137.6 | 80% | 0.795 | 82% | 0.819 | S | S | * | * | cis | -161.3 | 159.9 | 40.6 | -145.1 | 161.6 | 0 | 0 | 0 | 110.9 | ||||
| 439 | Q | 34.8 | Very low | 32.5 | Very low | 188 Ų | 188 | 137.1 Ų | 137.1 | 88% | 0.879 | 81% | 0.814 | S | S | * | * | trans | 83.9 | 152.3 | 171.6 | -50.6 | -115 | 33.6 | 0 | 0 | 119.5 | ||||
| 440 | K | 30.7 | Very low | 31.8 | Very low | 179 Ų | 179 | 139.5 Ų | 139.5 | 78% | 0.778 | 81% | 0.811 | S | S | * | * | trans | -148.1 | 148.5 | -168.3 | -178.4 | -176.2 | -171.1 | 178.9 | 0 | 108 | ||||
| 441 | P | 35.1 | Very low | 31.5 | Very low | 122 Ų | 122 | 143.4 Ų | 143.4 | 79% | 0.792 | 81% | 0.812 | S | S | * | * | trans | -122.5 | 174.9 | 137.3 | -3.7 | 25 | 0 | 0 | 0 | 114.7 | ||||
| 442 | L | 29.9 | Very low | 30.8 | Very low | 162 Ų | 162 | 139.7 Ų | 139.7 | 85% | 0.848 | 80% | 0.804 | S | S | * | * | trans | -62.4 | 154.3 | -172.7 | -87.2 | 49 | 0 | 0 | 0 | 115.3 | ||||
| 443 | G | 26.9 | Very low | 30.2 | Very low | 67 Ų | 67 | 136.5 Ų | 136.5 | 69% | 0.691 | 80% | 0.802 | S | S | * | * | trans | -85.8 | -167.2 | 160.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 444 | P | 40 | Very low | 29.8 | Very low | 145 Ų | 145 | 132.5 Ų | 132.5 | 94% | 0.942 | 79% | 0.792 | S | S | * | * | -134.8 | -171.2 | 93.8 | 39.5 | -28.8 | 0 | 0 | 0 | 114.2 | |||||
| 445 | A | 29.6 | Very low | 29.8 | Very low | 107 Ų | 107 | 132 Ų | 132 | 88% | 0.884 | 79% | 0.789 | S | S | * | * | trans | -98.5 | 168.5 | -166.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 446 | G | 27.3 | Very low | 29.9 | Very low | 71 Ų | 71 | 131.8 Ų | 131.8 | 73% | 0.732 | 79% | 0.787 | S | S | * | * | trans | -172.8 | 129.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 447 | D | 27.8 | Very low | 30.1 | Very low | 166 Ų | 166 | 131.6 Ų | 131.6 | 89% | 0.888 | 78% | 0.775 | S | S | * | * | trans | -83 | 178.7 | -166.8 | -61 | -80.6 | 0 | 0 | 0 | 116.4 | ||||
| 448 | A | 28 | Very low | 30.3 | Very low | 90 Ų | 90 | 138.7 Ų | 138.7 | 74% | 0.744 | 78% | 0.782 | S | S | * | * | trans | 93 | 108.2 | 143.1 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 449 | F | 26.2 | Very low | 30.1 | Very low | 184 Ų | 184 | 138.3 Ų | 138.3 | 81% | 0.807 | 78% | 0.78 | S | S | * | * | 60.8 | 138.1 | 117.8 | -102.5 | -127 | 0 | 0 | 0 | 123.6 | |||||
| 450 | E | 26.1 | Very low | 30 | Very low | 135 Ų | 135 | 139.4 Ų | 139.4 | 63% | 0.631 | 78% | 0.776 | S | S | * | * | trans | 80.8 | 113.4 | 142.2 | -79.7 | -176.6 | 142.4 | 0 | 0 | 125.2 | ||||
| 451 | Q | 29.2 | Very low | 29.9 | Very low | 145 Ų | 145 | 138 Ų | 138 | 68% | 0.678 | 77% | 0.772 | S | S | * | * | 85.7 | 146.6 | 120.2 | -79.7 | -179.5 | 32.9 | 0 | 0 | 124.3 | |||||
| 452 | T | 25.7 | Very low | 29.6 | Very low | 121 Ų | 121 | 141.6 Ų | 141.6 | 74% | 0.742 | 78% | 0.779 | S | S | * | * | trans | 68.4 | 119.3 | 155.3 | 46.7 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 453 | S | 28.8 | Very low | 29.5 | Very low | 117 Ų | 117 | 137.5 Ų | 137.5 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | 90.8 | 142.2 | 81.9 | -159.7 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 454 | A | 29.8 | Very low | 29.7 | Very low | 81 Ų | 81 | 141.2 Ų | 141.2 | 67% | 0.669 | 79% | 0.785 | S | S | * | * | cis | -145.5 | 144 | 4.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 455 | D | 30.2 | Very low | 29.2 | Very low | 141 Ų | 141 | 140.7 Ų | 140.7 | 75% | 0.754 | 78% | 0.779 | S | S | * | * | 87 | 167.2 | 80.1 | -160.4 | 13.4 | 0 | 0 | 0 | 114.9 | |||||
| 456 | I | 32.2 | Very low | 29.3 | Very low | 141 Ų | 141 | 138.4 Ų | 138.4 | 72% | 0.723 | 77% | 0.766 | S | S | * | * | trans | 91.1 | 71.7 | 176.6 | -46.1 | 178.8 | 0 | 0 | 0 | 117.5 | ||||
| 457 | Q | 31.5 | Very low | 29.5 | Very low | 154 Ų | 154 | 144.2 Ų | 144.2 | 72% | 0.72 | 77% | 0.767 | S | S | * | * | 33.2 | 125.6 | 122.3 | -55.2 | 176.8 | 13.1 | 0 | 0 | 121.7 | |||||
| 458 | R | 32.2 | Very low | 29.7 | Very low | 242 Ų | 242 | 144.1 Ų | 144.1 | 91% | 0.913 | 76% | 0.759 | S | S | * | * | -158.2 | 174.4 | 117.6 | -127.2 | 169.6 | -72.3 | 165.2 | -2.2 | 114.2 | |||||
| 459 | I | 31.3 | Very low | 29.8 | Very low | 147 Ų | 147 | 149 Ų | 149 | 75% | 0.754 | 76% | 0.763 | S | S | * | * | trans | -141.8 | 146.9 | -159.3 | -67.9 | 172.9 | 0 | 0 | 0 | 105.8 | ||||
| 460 | R | 30.7 | Very low | 30.3 | Very low | 210 Ų | 210 | 150.6 Ų | 150.6 | 79% | 0.792 | 76% | 0.764 | S | S | * | * | cis | -146.2 | 177.4 | 37.7 | -154 | 160 | -176.9 | 159.4 | 5.3 | 115 | ||||
| 461 | H | 29.6 | Very low | 30.6 | Very low | 150 Ų | 150 | 151.5 Ų | 151.5 | 69% | 0.694 | 77% | 0.772 | S | S | * | * | trans | -24.5 | 146.9 | 162.8 | -61.8 | -149.9 | 0 | 0 | 0 | 117.5 | ||||
| 462 | E | 29.1 | Very low | 31.1 | Very low | 198 Ų | 198 | 151.8 Ų | 151.8 | 93% | 0.925 | 78% | 0.777 | S | S | * | * | -167.1 | 170 | 98.5 | -104 | 177.7 | -158.1 | 0 | 0 | 111.7 | |||||
| 463 | G | 27.4 | Very low | 31.5 | Very low | 76 Ų | 76 | 152.9 Ų | 152.9 | 78% | 0.784 | 78% | 0.776 | S | S | * | * | trans | 100.9 | 109.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 464 | T | 32.2 | Very low | 31.7 | Very low | 145 Ų | 145 | 156.5 Ų | 156.5 | 89% | 0.89 | 78% | 0.777 | S | S | * | * | trans | -111.8 | 102.6 | -176.5 | -51.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 465 | V | 29.4 | Very low | 31.8 | Very low | 134 Ų | 134 | 158.2 Ų | 158.2 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | trans | -148.6 | 133.3 | 152.6 | -169.8 | 0 | 0 | 0 | 0 | 104.2 | Y467 | V465-Y467 HydrophobicContact CG1-CE2 4.33Š| ||
| 466 | G | 31.2 | Very low | 32.1 | Very low | 59 Ų | 59 | 161 Ų | 161 | 61% | 0.608 | 79% | 0.789 | S | S | * | * | cis | 150.4 | -180 | 13.9 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 467 | Y | 31.8 | Very low | 32.2 | Very low | 193 Ų | 193 | 160.1 Ų | 160.1 | 76% | 0.757 | 79% | 0.79 | S | S | * | * | trans | 100.7 | 139.3 | 165.1 | -63.8 | -67.1 | 0 | 0 | 0 | 121.9 | V465 | V465-Y467 HydrophobicContact CG1-CE2 4.33Š| ||
| 468 | F | 31.9 | Very low | 32.5 | Very low | 164 Ų | 164 | 159.2 Ų | 159.2 | 72% | 0.719 | 80% | 0.795 | S | S | * | * | trans | 26.4 | 133.2 | 154.7 | -53.6 | -59.8 | 0 | 0 | 0 | 119.7 | ||||
| 469 | F | 29 | Very low | 32.7 | Very low | 191 Ų | 191 | 154.8 Ų | 154.8 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | -157.1 | 163.4 | 64 | -117.4 | -86.6 | 0 | 0 | 0 | 116.3 | |||||
| 470 | R | 37.9 | Very low | 32.8 | Very low | 219 Ų | 219 | 158.1 Ų | 158.1 | 83% | 0.826 | 79% | 0.793 | S | S | * | * | trans | -73.3 | 118.8 | 176.1 | -173.8 | -176.8 | -166.4 | 167.2 | 3 | 110.9 | ||||
| 471 | L | 31.3 | Very low | 32.9 | Very low | 153 Ų | 153 | 152.8 Ų | 152.8 | 80% | 0.801 | 79% | 0.787 | S | S | * | * | trans | -123.9 | 113.4 | 177 | -142 | 83.3 | 0 | 0 | 0 | 112.6 | ||||
| 472 | I | 39.9 | Very low | 33.2 | Very low | 151 Ų | 151 | 151.3 Ų | 151.3 | 77% | 0.774 | 79% | 0.794 | S | S | * | * | trans | -95.5 | 101.7 | 171.2 | -63.7 | 171 | 0 | 0 | 0 | 108.2 | ||||
| 473 | M | 33.6 | Very low | 33.6 | Very low | 145 Ų | 145 | 146.7 Ų | 146.7 | 71% | 0.714 | 78% | 0.784 | S | S | * | * | trans | -143.5 | 100.4 | 174.1 | -93.2 | -62.5 | -163.2 | 0 | 0 | 113.6 | S475 | M473-S475 PolarHBondContact O-N 2.93Š| ||
| 474 | K | 34.4 | Very low | 34.3 | Very low | 193 Ų | 193 | 155 Ų | 155 | 84% | 0.839 | 81% | 0.807 | S | S | * | * | trans | 18.8 | 93.2 | 138.8 | -63.1 | 165.2 | -178.6 | 168.2 | 0 | 117 | K476 | K474-K476 PolarHBondContact O-N 2.8Å; K474-K476 VanDerWaalsContact O-N 3.17Å | ||
| 475 | S | 31.6 | Very low | 34.4 | Very low | 116 Ų | 116 | 155.5 Ų | 155.5 | 81% | 0.811 | 80% | 0.803 | S | S | * | * | trans | -77.9 | 92.2 | 166.5 | 38.2 | 0 | 0 | 0 | 0 | 112.2 | M473 | M473-S475 PolarHBondContact O-N 2.93Š| ||
| 476 | K | 35.6 | Very low | 34.7 | Very low | 199 Ų | 199 | 156.6 Ų | 156.6 | 87% | 0.865 | 80% | 0.803 | S | S | * | * | trans | -112.4 | 85.4 | 160.5 | -88.1 | -166.8 | 173 | -173.9 | 0 | 110 | K474 V478 | K474-K476 PolarHBondContact O-N 2.8Å; K474-K476 VanDerWaalsContact O-N 3.17Å; K476-V478 PolarHBondContact O-N 2.88Å | ||
| 477 | T | 35.3 | Very low | 34.9 | Very low | 123 Ų | 123 | 162.1 Ų | 162.1 | 76% | 0.755 | 81% | 0.814 | S | S | * | * | trans | -81.7 | 105.2 | 177.5 | -49.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 478 | V | 36.5 | Very low | 35 | Very low | 136 Ų | 136 | 160.2 Ų | 160.2 | 82% | 0.824 | 82% | 0.817 | S | S | * | * | trans | -80.4 | 123.3 | 163.3 | 175.3 | 0 | 0 | 0 | 0 | 107.9 | K476 | K476-V478 PolarHBondContact O-N 2.88Š| ||
| 479 | I | 37.3 | Very low | 35.2 | Very low | 148 Ų | 148 | 160 Ų | 160 | 76% | 0.759 | 82% | 0.823 | S | S | * | * | trans | -81.3 | 127.8 | 176.8 | -60.9 | 171.6 | 0 | 0 | 0 | 108.9 | ||||
| 480 | Y | 32.1 | Very low | 35.7 | Very low | 218 Ų | 218 | 157.9 Ų | 157.9 | 86% | 0.855 | 82% | 0.822 | S | S | * | * | trans | -159.8 | 166.3 | 147 | -131.9 | -91.5 | 0 | 0 | 0 | 113 | ||||
| 481 | S | 34.6 | Very low | 35.5 | Very low | 97 Ų | 97 | 153.6 Ų | 153.6 | 68% | 0.678 | 82% | 0.822 | S | S | * | * | trans | 64.7 | 96.4 | 172.6 | 63.1 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 482 | S | 34.1 | Very low | 35.8 | Very low | 120 Ų | 120 | 153.6 Ų | 153.6 | 84% | 0.839 | 82% | 0.823 | S | S | * | * | -171 | 148.3 | 114.5 | -78.4 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 483 | S | 39 | Very low | 35.5 | Very low | 101 Ų | 101 | 153.8 Ų | 153.8 | 71% | 0.706 | 83% | 0.827 | S | S | * | * | cis | 162.5 | 115.7 | -17.6 | -94.6 | 0 | 0 | 0 | 0 | 104.3 | ||||
| 484 | I | 41.6 | Very low | 35.7 | Very low | 250 Ų | 250 | 154.6 Ų | 154.6 | 100% | 1.282 | 84% | 0.838 | S | S | * | * | trans | -179.9 | 0 | 150.6 | -95.2 | 154.4 | 0 | 0 | 0 | 107.4 |
Retrieved 484 of 484 residues in 128.2 ms
(Link to these results)