| 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 | 60.5 | Low | 83.1 | Confident | 174 Ų | 174 | 66.4 Ų | 66.4 | 86% | 0.857 | 36% | 0.36 | S | S | * | . | 0 | 132.3 | 0 | -76.7 | -161.4 | -97 | 0 | 0 | 110 | K6 | M1-K6 HydrophobicContact CB-CG 4.3Š| |||
| 2 | S | 80.8 | Confident | 83.7 | Confident | 74 Ų | 74 | 70.3 Ų | 70.3 | 52% | 0.517 | 38% | 0.38 | S | S | . | . | trans | -66.3 | 156.7 | 173.6 | 65.1 | 0 | 0 | 0 | 0 | 110.7 | L4 A5 K6 | S2-L4 PolarHBondContact O-N 2.82Å; S2-A5 PolarHBondContact O-N 2.85Å; S2-A5 WeakPolarHBondContact OG-CB 3.25Å; S2-A5 PolarHBondContact OG-N 3.29Å; S2-K6 PolarHBondContact O-N 3.42Å | ||
| 3 | I | 80.3 | Confident | 84.3 | Confident | 38 Ų | 38 | 68.2 Ų | 68.2 | 20% | 0.195 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -59 | -39.3 | 176.7 | -65.4 | 171.4 | 0 | 0 | 0 | 110.4 | A5 K6 I7 L37 L41 | I3-A5 PolarHBondContact O-N 3.07Å; I3-K6 PolarHBondContact O-N 2.97Å; I3-I7 HydrophobicContact CG2-CD1 4.05Å; I3-I7 WeakPolarHBondContact O-CG1 3.22Å; I3-I7 PolarHBondContact O-N 3.42Å; I3-L37 HydrophobicContact CG2-CB 4.46Å; I3-L37 HydrophobicContact CG2-CD2 4.37Å; I3-L41 HydrophobicContact CB-CD2 4.2Å; I3-L41 HydrophobicContact CG2-CD1 4.46Å; I3-L41 HydrophobicContact CG2-CD2 3.75Å; I3-L41 HydrophobicContact CG2-CG 3.92Å |
| 4 | L | 78.9 | Confident | 84.6 | Confident | 66 Ų | 66 | 66.8 Ų | 66.8 | 35% | 0.346 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.1 | -38.6 | 176.7 | -66.9 | 171.1 | 0 | 0 | 0 | 112.6 | S2 I7 A8 L41 | S2-L4 PolarHBondContact O-N 2.82Å; L4-I7 PolarHBondContact O-N 3.01Å; L4-A8 PolarHBondContact O-N 2.77Å; L4-L41 HydrophobicContact CD2-CD1 3.93Å |
| 5 | A | 84.1 | Confident | 85 | Confident | 41 Ų | 41 | 68 Ų | 68 | 34% | 0.339 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -65.2 | -40.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | S2 I3 I7 A8 E9 | S2-A5 PolarHBondContact O-N 2.85Å; S2-A5 WeakPolarHBondContact OG-CB 3.25Å; S2-A5 PolarHBondContact OG-N 3.29Å; I3-A5 PolarHBondContact O-N 3.07Å; A5-I7 VanDerWaalsContact C-N 3.33Å; A5-I7 PolarHBondContact O-N 3.33Å; A5-A8 PolarHBondContact O-N 2.94Å; A5-E9 WeakPolarHBondContact O-CB 3.34Å; A5-E9 PolarHBondContact O-N 2.81Å |
| 6 | K | 87.1 | Confident | 85.4 | Confident | 95 Ų | 95 | 75.4 Ų | 75.4 | 41% | 0.413 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -64.5 | -37.8 | 175.4 | -66.5 | -177 | 178.5 | -174.5 | 0 | 112.4 | M1 S2 I3 I10 L37 | M1-K6 HydrophobicContact CB-CG 4.3Å; S2-K6 PolarHBondContact O-N 3.42Å; I3-K6 PolarHBondContact O-N 2.97Å; K6-I10 WeakPolarHBondContact O-CG1 3.49Å; K6-I10 PolarHBondContact O-N 2.92Å; K6-I10 VanDerWaalsContact O-N 3.13Å; K6-L37 HydrophobicContact CB-CD1 3.89Å; K6-L37 HydrophobicContact CD-CD2 4.47Å |
| 7 | I | 86.4 | Confident | 85.6 | Confident | 13 Ų | 13 | 72.8 Ų | 72.8 | 7% | 0.067 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -62.6 | -50.4 | 174.8 | -73.3 | 169.1 | 0 | 0 | 0 | 109.9 | I3 L4 A5 E9 I10 E11 L34 L37 R38 L41 | I3-I7 HydrophobicContact CG2-CD1 4.05Å; I3-I7 WeakPolarHBondContact O-CG1 3.22Å; I3-I7 PolarHBondContact O-N 3.42Å; L4-I7 PolarHBondContact O-N 3.01Å; A5-I7 VanDerWaalsContact C-N 3.33Å; A5-I7 PolarHBondContact O-N 3.33Å; I7-E9 VanDerWaalsContact C-N 3.3Å; I7-E9 PolarHBondContact O-N 2.72Å; I7-I10 PolarHBondContact O-N 2.71Å; I7-E11 HydrophobicContact CG2-CG 4.39Å; I7-E11 WeakPolarHBondContact CG2-OE1 3.47Å; I7-E11 WeakPolarHBondContact O-CG 3.38Å; I7-E11 PolarHBondContact O-N 3.43Å; I7-L34 HydrophobicContact CB-CD1 4.39Å; I7-L34 HydrophobicContact CG1-CD1 4.34Å; I7-L34 HydrophobicContact CG2-CD1 3.81Å; I7-L37 HydrophobicContact CD1-CB 4.14Å; I7-L37 HydrophobicContact CG1-CB 3.78Å; I7-L37 HydrophobicContact CG1-CD1 4.1Å; I7-R38 HydrophobicContact CD1-CG 4.28Å; I7-L41 HydrophobicContact CD1-CD1 3.47Å; I7-L41 VanDerWaalsContact CD1-CD1 3.47Å; I7-L41 HydrophobicContact CD1-CG 4.31Å |
| 8 | A | 86.6 | Confident | 85.7 | Confident | 41 Ų | 41 | 76.9 Ų | 76.9 | 34% | 0.339 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61.7 | -37.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L4 A5 E11 N12 | L4-A8 PolarHBondContact O-N 2.77Å; A5-A8 PolarHBondContact O-N 2.94Å; A8-E11 PolarHBondContact O-N 3.44Å; A8-N12 WeakPolarHBondContact O-CB 3.49Å; A8-N12 PolarHBondContact O-N 3.1Å; A8-N12 PolarHBondContact O-ND2 3.24Å |
| 9 | E | 91.6 | Very high | 85.6 | Confident | 107 Ų | 107 | 82 Ų | 82 | 50% | 0.5 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62.1 | -46.8 | 175.4 | -173.1 | 178.8 | -172.2 | 0 | 0 | 111.8 | A5 I7 N12 E13 | A5-E9 WeakPolarHBondContact O-CB 3.34Å; A5-E9 PolarHBondContact O-N 2.81Å; I7-E9 VanDerWaalsContact C-N 3.3Å; I7-E9 PolarHBondContact O-N 2.72Å; E9-N12 PolarHBondContact O-N 2.97Å; E9-E13 WeakPolarHBondContact O-CB 3.47Å; E9-E13 PolarHBondContact O-N 2.91Å |
| 10 | I | 90.2 | Very high | 85.5 | Confident | 18 Ų | 18 | 82.7 Ų | 82.7 | 9% | 0.092 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -65.5 | -41.2 | 177.3 | -68.3 | 168.1 | 0 | 0 | 0 | 111.1 | K6 I7 E13 M14 L30 R33 L34 L37 | K6-I10 WeakPolarHBondContact O-CG1 3.49Å; K6-I10 PolarHBondContact O-N 2.92Å; K6-I10 VanDerWaalsContact O-N 3.13Å; I7-I10 PolarHBondContact O-N 2.71Å; I10-E13 PolarHBondContact O-N 3.29Å; I10-M14 HydrophobicContact CG2-CG 4.37Å; I10-M14 HydrophobicContact CG2-SD 4.05Å; I10-M14 WeakPolarHBondContact O-CB 3.49Å; I10-M14 VanDerWaalsContact O-CG 3.3Å; I10-M14 WeakPolarHBondContact O-CG 3.14Å; I10-M14 PolarHBondContact O-N 3.05Å; I10-L30 HydrophobicContact CG2-CB 4.08Å; I10-L30 HydrophobicContact CG2-CD2 4.22Å; I10-R33 HydrophobicContact CD1-CB 4Å; I10-L34 HydrophobicContact CG2-CB 4.11Å; I10-L34 HydrophobicContact CG2-CD1 4.46Å; I10-L37 HydrophobicContact CD1-CD1 3.63Å |
| 11 | E | 88.2 | Confident | 85.1 | Confident | 63 Ų | 63 | 86.8 Ų | 86.8 | 29% | 0.294 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -63.2 | -43.5 | 177.5 | -74.9 | 173.8 | 175.1 | 0 | 0 | 111.6 | I7 A8 E13 M14 A15 L34 R38 | I7-E11 HydrophobicContact CG2-CG 4.39Å; I7-E11 WeakPolarHBondContact CG2-OE1 3.47Å; I7-E11 WeakPolarHBondContact O-CG 3.38Å; I7-E11 PolarHBondContact O-N 3.43Å; A8-E11 PolarHBondContact O-N 3.44Å; E11-E13 VanDerWaalsContact C-N 3.33Å; E11-E13 PolarHBondContact O-N 3.23Å; E11-M14 PolarHBondContact O-N 3.21Å; E11-A15 WeakPolarHBondContact O-CB 3.37Å; E11-A15 PolarHBondContact O-N 2.89Å; E11-L34 HydrophobicContact CG-CD1 4.12Å; E11-L34 HydrophobicContact CG-CD2 4.44Å; E11-R38 IonicContact OE1-CZ 2.93Å; E11-R38 IonicContact OE1-NE 2.92Å; E11-R38 IonicContact OE1-NH2 3.75Å; E11-R38 PolarHBondContact OE1-NH2 3.45Å |
| 12 | N | 89.9 | Confident | 86.1 | Confident | 113 Ų | 113 | 82.9 Ų | 82.9 | 60% | 0.604 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -64.4 | -39.2 | 174.8 | -72 | -24.9 | 0 | 0 | 0 | 111.7 | A8 E9 A15 R16 | A8-N12 WeakPolarHBondContact O-CB 3.49Å; A8-N12 PolarHBondContact O-N 3.1Å; A8-N12 PolarHBondContact O-ND2 3.24Å; E9-N12 PolarHBondContact O-N 2.97Å; N12-A15 PolarHBondContact O-N 2.86Å; N12-R16 WeakPolarHBondContact O-CG 3.39Å; N12-R16 PolarHBondContact O-N 3.34Å; N12-R16 VanDerWaalsContact O-N 3.14Å |
| 13 | E | 91.6 | Very high | 86.2 | Confident | 44 Ų | 44 | 81.1 Ų | 81.1 | 21% | 0.206 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -63.9 | -44.5 | 174.9 | -178.3 | 170.9 | -167.1 | 0 | 0 | 111.8 | E9 I10 E11 A15 R16 T17 H26 L30 | E9-E13 WeakPolarHBondContact O-CB 3.47Å; E9-E13 PolarHBondContact O-N 2.91Å; I10-E13 PolarHBondContact O-N 3.29Å; E11-E13 VanDerWaalsContact C-N 3.33Å; E11-E13 PolarHBondContact O-N 3.23Å; E13-A15 VanDerWaalsContact C-N 3.3Å; E13-A15 PolarHBondContact O-N 3.43Å; E13-R16 WeakPolarHBondContact O-CG 3.4Å; E13-R16 PolarHBondContact O-N 3.03Å; E13-R16 IonicContact OE1-NH2 2.71Å; E13-T17 PolarHBondContact O-N 3.03Å; E13-T17 PolarHBondContact O-OG1 3.01Å; E13-H26 IonicContact OE1-CD2 3.82Å; E13-H26 IonicContact OE1-CE1 3.63Å; E13-H26 IonicContact OE1-NE2 3.74Å; E13-H26 PolarHBondContact OE1-NE2 2.92Å; E13-L30 HydrophobicContact CB-CD1 4.36Å; E13-L30 HydrophobicContact CG-CD1 3.73Å |
| 14 | M | 88.9 | Confident | 86.1 | Confident | 48 Ų | 48 | 81 Ų | 81 | 24% | 0.236 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -64 | -35.6 | 175.7 | -72.4 | 178.4 | 62.6 | 0 | 0 | 112.2 | I10 E11 L27 L30 K31 L34 | I10-M14 HydrophobicContact CG2-CG 4.37Å; I10-M14 HydrophobicContact CG2-SD 4.05Å; I10-M14 WeakPolarHBondContact O-CB 3.49Å; I10-M14 VanDerWaalsContact O-CG 3.3Å; I10-M14 WeakPolarHBondContact O-CG 3.14Å; I10-M14 PolarHBondContact O-N 3.05Å; E11-M14 PolarHBondContact O-N 3.21Å; M14-L27 HydrophobicContact CG-CD2 4.34Å; M14-L30 HydrophobicContact CG-CB 3.81Å; M14-L30 HydrophobicContact CG-CD1 3.74Å; M14-L30 HydrophobicContact CG-CG 4.43Å; M14-L30 HydrophobicContact SD-CB 4.02Å; M14-K31 HydrophobicContact CE-CG 3.62Å; M14-K31 HydrophobicContact SD-CG 4.41Å; M14-L34 HydrophobicContact SD-CD2 4.22Å |
| 15 | A | 89.3 | Confident | 86.3 | Confident | 85 Ų | 85 | 80 Ų | 80 | 70% | 0.702 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -69.2 | -34.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | E11 N12 E13 | E11-A15 WeakPolarHBondContact O-CB 3.37Å; E11-A15 PolarHBondContact O-N 2.89Å; N12-A15 PolarHBondContact O-N 2.86Å; E13-A15 VanDerWaalsContact C-N 3.3Å; E13-A15 PolarHBondContact O-N 3.43Å |
| 16 | R | 91.4 | Very high | 86.5 | Confident | 187 Ų | 187 | 81.3 Ų | 81.3 | 71% | 0.706 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -80.1 | -24.2 | 177.2 | 66.1 | 178.3 | -176.4 | -171.3 | -1.5 | 113.6 | N12 E13 | N12-R16 WeakPolarHBondContact O-CG 3.39Å; N12-R16 PolarHBondContact O-N 3.34Å; N12-R16 VanDerWaalsContact O-N 3.14Å; E13-R16 WeakPolarHBondContact O-CG 3.4Å; E13-R16 PolarHBondContact O-N 3.03Å; E13-R16 IonicContact OE1-NH2 2.71Å |
| 17 | T | 89.2 | Confident | 86.4 | Confident | 30 Ų | 30 | 77.6 Ų | 77.6 | 18% | 0.184 | 41% | 0.406 | C | S | . | . | S | Bend | trans | -83.2 | 121 | -174.8 | -62.1 | 0 | 0 | 0 | 0 | 111.3 | E13 T23 L27 | E13-T17 PolarHBondContact O-N 3.03Å; E13-T17 PolarHBondContact O-OG1 3.01Å; T17-T23 HydrophobicContact CG2-CG2 3.9Å; T17-L27 HydrophobicContact CG2-CD1 4.46Å; T17-L27 HydrophobicContact CG2-CD2 4.02Å; T17-L27 HydrophobicContact CG2-CG 4.18Å |
| 18 | Q | 87.4 | Confident | 86.3 | Confident | 148 Ų | 148 | 77.1 Ų | 77.1 | 69% | 0.692 | 40% | 0.404 | S | S | * | . | trans | -69.9 | 144.1 | 173 | -66.8 | -176.3 | -2.9 | 0 | 0 | 111.5 | N20 T23 | Q18-N20 PolarHBondContact O-N 3.46Å; Q18-T23 WeakPolarHBondContact O-CB 3.41Å; Q18-T23 PolarHBondContact O-OG1 3Å | ||
| 19 | K | 83.3 | Confident | 86.4 | Confident | 173 Ų | 173 | 76.7 Ų | 76.7 | 75% | 0.752 | 40% | 0.396 | S | S | * | . | trans | -86.1 | 96.2 | -178.7 | -65.3 | -174.9 | 177.4 | -178.6 | 0 | 111.5 | L27 | K19-L27 HydrophobicContact CB-CD1 4.31Å; K19-L27 HydrophobicContact CG-CD1 3.78Å | ||
| 20 | N | 84.6 | Confident | 86.3 | Confident | 96 Ų | 96 | 71.7 Ų | 71.7 | 51% | 0.513 | 37% | 0.372 | S | S | . | . | trans | -132.5 | 168.3 | 177.6 | -62.5 | -9.4 | 0 | 0 | 0 | 109.8 | Q18 A22 T23 A24 | Q18-N20 PolarHBondContact O-N 3.46Å; N20-A22 PolarHBondContact O-N 3.16Å; N20-T23 PolarHBondContact N-OG1 3.19Å; N20-T23 CarbonylContact O-C 3.47Å; N20-T23 PolarHBondContact O-N 3.06Å; N20-T23 PolarHBondContact O-OG1 3.03Å; N20-T23 VanDerWaalsContact O-OG1 3.06Å; N20-A24 PolarHBondContact O-N 3.3Å | ||
| 21 | K | 77.4 | Confident | 86.2 | Confident | 169 Ų | 169 | 72.6 Ų | 72.6 | 74% | 0.735 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -54.3 | -39.1 | 179.8 | -169.2 | 173 | -176.6 | 174.9 | 0 | 113.3 | T23 | K21-T23 VanDerWaalsContact C-N 3.34Å; K21-T23 PolarHBondContact O-N 3.1Å |
| 22 | A | 80.5 | Confident | 86.1 | Confident | 92 Ų | 92 | 69.6 Ų | 69.6 | 76% | 0.76 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -68.9 | -29 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | N20 | N20-A22 PolarHBondContact O-N 3.16Å |
| 23 | T | 83.1 | Confident | 86.1 | Confident | 37 Ų | 37 | 69.2 Ų | 69.2 | 23% | 0.227 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -99.5 | -11.4 | -177.1 | 54.5 | 0 | 0 | 0 | 0 | 112.9 | T17 Q18 N20 K21 H25 H26 L27 | T17-T23 HydrophobicContact CG2-CG2 3.9Å; Q18-T23 WeakPolarHBondContact O-CB 3.41Å; Q18-T23 PolarHBondContact O-OG1 3Å; N20-T23 PolarHBondContact N-OG1 3.19Å; N20-T23 CarbonylContact O-C 3.47Å; N20-T23 PolarHBondContact O-N 3.06Å; N20-T23 PolarHBondContact O-OG1 3.03Å; N20-T23 VanDerWaalsContact O-OG1 3.06Å; K21-T23 VanDerWaalsContact C-N 3.34Å; K21-T23 PolarHBondContact O-N 3.1Å; T23-H25 VanDerWaalsContact C-N 3.31Å; T23-H25 PolarHBondContact O-N 2.95Å; T23-H26 PolarHBondContact O-N 3.44Å; T23-H26 VanDerWaalsContact O-N 3.16Å; T23-L27 WeakPolarHBondContact O-CB 3.26Å; T23-L27 WeakPolarHBondContact O-CG 3.23Å; T23-L27 PolarHBondContact O-N 3.37Å |
| 24 | A | 79.4 | Confident | 85.9 | Confident | 35 Ų | 35 | 67.9 Ų | 67.9 | 29% | 0.289 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -56.3 | -42.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | N20 L27 G28 | N20-A24 PolarHBondContact O-N 3.3Å; A24-L27 PolarHBondContact O-N 2.6Å; A24-G28 PolarHBondContact O-N 2.82Å |
| 25 | H | 82.9 | Confident | 85.8 | Confident | 45 Ų | 45 | 66 Ų | 66 | 21% | 0.208 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.3 | -44.1 | 177.2 | -53.6 | -57 | 0 | 0 | 0 | 112.3 | T23 G28 L29 E202 T203 | T23-H25 VanDerWaalsContact C-N 3.31Å; T23-H25 PolarHBondContact O-N 2.95Å; H25-G28 PolarHBondContact O-N 2.97Å; H25-L29 PolarHBondContact O-N 3.1Å; H25-E202 IonicContact CE1-OE2 3.96Å; H25-E202 IonicContact NE2-OE2 3.51Å; H25-T203 PolarHBondContact CE1-OG1 3.07Å; H25-T203 PolarHBondContact ND1-OG1 3.49Å |
| 26 | H | 86.8 | Confident | 85.6 | Confident | 69 Ų | 69 | 64.3 Ų | 64.3 | 32% | 0.319 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.8 | -43.4 | 176.9 | -173.7 | 56.5 | 0 | 0 | 0 | 111.3 | E13 T23 G28 L29 L30 | E13-H26 IonicContact OE1-CD2 3.82Å; E13-H26 IonicContact OE1-CE1 3.63Å; E13-H26 IonicContact OE1-NE2 3.74Å; E13-H26 PolarHBondContact OE1-NE2 2.92Å; T23-H26 PolarHBondContact O-N 3.44Å; T23-H26 VanDerWaalsContact O-N 3.16Å; H26-G28 VanDerWaalsContact C-N 3.33Å; H26-G28 PolarHBondContact O-N 2.94Å; H26-L29 WeakPolarHBondContact O-CB 3.48Å; H26-L29 PolarHBondContact O-N 2.96Å; H26-L30 WeakPolarHBondContact O-CG 3.48Å; H26-L30 PolarHBondContact O-N 3.32Å |
| 27 | L | 86.2 | Confident | 85.4 | Confident | 17 Ų | 17 | 56.5 Ų | 56.5 | 9% | 0.089 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.9 | -39.5 | 175.5 | -72.7 | 171.7 | 0 | 0 | 0 | 111.9 | M14 T17 K19 T23 A24 L29 L30 K31 | M14-L27 HydrophobicContact CG-CD2 4.34Å; T17-L27 HydrophobicContact CG2-CD1 4.46Å; T17-L27 HydrophobicContact CG2-CD2 4.02Å; T17-L27 HydrophobicContact CG2-CG 4.18Å; K19-L27 HydrophobicContact CB-CD1 4.31Å; K19-L27 HydrophobicContact CG-CD1 3.78Å; T23-L27 WeakPolarHBondContact O-CB 3.26Å; T23-L27 WeakPolarHBondContact O-CG 3.23Å; T23-L27 PolarHBondContact O-N 3.37Å; A24-L27 PolarHBondContact O-N 2.6Å; L27-L29 VanDerWaalsContact C-N 3.33Å; L27-L29 PolarHBondContact O-N 3.04Å; L27-L30 PolarHBondContact O-N 2.81Å; L27-K31 WeakPolarHBondContact O-CB 3.44Å; L27-K31 VanDerWaalsContact O-CG 3.25Å; L27-K31 WeakPolarHBondContact O-CG 3.42Å; L27-K31 PolarHBondContact O-N 3.21Å |
| 28 | G | 83.9 | Confident | 85.1 | Confident | 3 Ų | 3 | 57.2 Ų | 57.2 | 3% | 0.031 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.4 | -41.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | A24 H25 H26 K31 A32 | A24-G28 PolarHBondContact O-N 2.82Å; H25-G28 PolarHBondContact O-N 2.97Å; H26-G28 VanDerWaalsContact C-N 3.33Å; H26-G28 PolarHBondContact O-N 2.94Å; G28-K31 PolarHBondContact O-N 2.87Å; G28-A32 WeakPolarHBondContact O-CB 2.84Å; G28-A32 PolarHBondContact O-N 3.04Å |
| 29 | L | 88.1 | Confident | 84.8 | Confident | 32 Ų | 32 | 54.5 Ų | 54.5 | 17% | 0.168 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64 | -46.9 | 174.8 | -178.2 | 65.5 | 0 | 0 | 0 | 112.1 | H25 H26 L27 K31 A32 R33 T206 E210 | H25-L29 PolarHBondContact O-N 3.1Å; H26-L29 WeakPolarHBondContact O-CB 3.48Å; H26-L29 PolarHBondContact O-N 2.96Å; L27-L29 VanDerWaalsContact C-N 3.33Å; L27-L29 PolarHBondContact O-N 3.04Å; L29-K31 VanDerWaalsContact C-N 3.33Å; L29-K31 PolarHBondContact O-N 3.29Å; L29-A32 PolarHBondContact O-N 2.53Å; L29-R33 WeakPolarHBondContact O-CG 3.28Å; L29-R33 PolarHBondContact O-N 2.87Å; L29-T206 HydrophobicContact CB-CG2 3.97Å; L29-T206 HydrophobicContact CD1-CG2 4.19Å; L29-E210 HydrophobicContact CD1-CB 3.9Å; L29-E210 HydrophobicContact CD1-CG 4.14Å; L29-E210 WeakPolarHBondContact CD1-OE2 3.38Å |
| 30 | L | 90.8 | Very high | 84.7 | Confident | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.1 | -42.2 | 177.9 | -69.2 | 178.8 | 0 | 0 | 0 | 111.4 | I10 E13 M14 H26 L27 R33 L34 | I10-L30 HydrophobicContact CG2-CB 4.08Å; I10-L30 HydrophobicContact CG2-CD2 4.22Å; E13-L30 HydrophobicContact CB-CD1 4.36Å; E13-L30 HydrophobicContact CG-CD1 3.73Å; M14-L30 HydrophobicContact CG-CB 3.81Å; M14-L30 HydrophobicContact CG-CD1 3.74Å; M14-L30 HydrophobicContact CG-CG 4.43Å; M14-L30 HydrophobicContact SD-CB 4.02Å; H26-L30 WeakPolarHBondContact O-CG 3.48Å; H26-L30 PolarHBondContact O-N 3.32Å; L27-L30 PolarHBondContact O-N 2.81Å; L30-R33 PolarHBondContact O-N 2.86Å; L30-L34 VanDerWaalsContact O-CB 3.31Å; L30-L34 WeakPolarHBondContact O-CB 3.23Å; L30-L34 PolarHBondContact O-N 2.89Å |
| 31 | K | 87.6 | Confident | 84.3 | Confident | 38 Ų | 38 | 46.7 Ų | 46.7 | 17% | 0.165 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.1 | -46.5 | 174.2 | -76 | 174.6 | 162.4 | -143.5 | 0 | 112.3 | M14 L27 G28 L29 R33 L34 A35 A226 D227 I230 | M14-K31 HydrophobicContact CE-CG 3.62Å; M14-K31 HydrophobicContact SD-CG 4.41Å; L27-K31 WeakPolarHBondContact O-CB 3.44Å; L27-K31 VanDerWaalsContact O-CG 3.25Å; L27-K31 WeakPolarHBondContact O-CG 3.42Å; L27-K31 PolarHBondContact O-N 3.21Å; G28-K31 PolarHBondContact O-N 2.87Å; L29-K31 VanDerWaalsContact C-N 3.33Å; L29-K31 PolarHBondContact O-N 3.29Å; K31-R33 PolarHBondContact O-N 3.13Å; K31-L34 PolarHBondContact O-N 2.92Å; K31-A35 WeakPolarHBondContact O-CB 3.35Å; K31-A35 PolarHBondContact O-N 2.86Å; K31-A226 HydrophobicContact CD-CB 4.34Å; K31-D227 VanDerWaalsContact CD-OD1 3.28Å; K31-D227 WeakPolarHBondContact CD-OD1 3.39Å; K31-D227 WeakPolarHBondContact CE-OD1 3.35Å; K31-D227 IonicContact NZ-OD1 3.87Å; K31-D227 PolarHBondContact NZ-OD1 2.89Å; K31-D227 IonicContact NZ-OD2 3.51Å; K31-D227 PolarHBondContact NZ-OD2 3.16Å; K31-I230 HydrophobicContact CB-CD1 3.7Å |
| 32 | A | 86.9 | Confident | 83.9 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.9 | -42.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | G28 L29 K36 I207 E210 Y211 I230 | G28-A32 WeakPolarHBondContact O-CB 2.84Å; G28-A32 PolarHBondContact O-N 3.04Å; L29-A32 PolarHBondContact O-N 2.53Å; A32-K36 WeakPolarHBondContact O-CB 3.32Å; A32-K36 PolarHBondContact O-N 3.01Å; A32-K36 VanDerWaalsContact O-N 3.1Å; A32-I207 HydrophobicContact CB-CG2 4.25Å; A32-E210 HydrophobicContact CB-CB 4.18Å; A32-E210 HydrophobicContact CB-CG 4.04Å; A32-Y211 HydrophobicContact CB-CE2 3.86Å; A32-Y211 PolarHBondContact O-OH 2.81Å; A32-I230 HydrophobicContact CB-CD1 4.37Å |
| 33 | R | 88.6 | Confident | 83.3 | Confident | 104 Ų | 104 | 38.6 Ų | 38.6 | 39% | 0.392 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -64.4 | -43.9 | 175.2 | -73.7 | 179.1 | 179.3 | 175.8 | 2.2 | 112.3 | I10 L29 L30 K31 K36 L37 E210 | I10-R33 HydrophobicContact CD1-CB 4Å; L29-R33 WeakPolarHBondContact O-CG 3.28Å; L29-R33 PolarHBondContact O-N 2.87Å; L30-R33 PolarHBondContact O-N 2.86Å; K31-R33 PolarHBondContact O-N 3.13Å; R33-K36 PolarHBondContact O-N 3.37Å; R33-L37 WeakPolarHBondContact O-CG 3.38Å; R33-L37 PolarHBondContact O-N 3.07Å; R33-E210 VanDerWaalsContact CG-CD 3.46Å; R33-E210 HydrophobicContact CG-CG 3.83Å; R33-E210 WeakPolarHBondContact CG-OE2 3.48Å; R33-E210 IonicContact CZ-OE2 3.59Å; R33-E210 IonicContact NE-OE2 2.7Å; R33-E210 PolarHBondContact NE-OE2 2.96Å; R33-E210 IonicContact NH2-OE2 3.61Å |
| 34 | L | 88.3 | Confident | 82.1 | Confident | 16 Ų | 16 | 42.5 Ų | 42.5 | 8% | 0.084 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.7 | -47.6 | 177.9 | -178.2 | 64.8 | 0 | 0 | 0 | 111 | I7 I10 E11 M14 L30 K31 K36 L37 R38 | I7-L34 HydrophobicContact CB-CD1 4.39Å; I7-L34 HydrophobicContact CG1-CD1 4.34Å; I7-L34 HydrophobicContact CG2-CD1 3.81Å; I10-L34 HydrophobicContact CG2-CB 4.11Å; I10-L34 HydrophobicContact CG2-CD1 4.46Å; E11-L34 HydrophobicContact CG-CD1 4.12Å; E11-L34 HydrophobicContact CG-CD2 4.44Å; M14-L34 HydrophobicContact SD-CD2 4.22Å; L30-L34 VanDerWaalsContact O-CB 3.31Å; L30-L34 WeakPolarHBondContact O-CB 3.23Å; L30-L34 PolarHBondContact O-N 2.89Å; K31-L34 PolarHBondContact O-N 2.92Å; L34-K36 VanDerWaalsContact C-N 3.35Å; L34-K36 PolarHBondContact O-N 3.18Å; L34-L37 PolarHBondContact O-N 2.84Å; L34-R38 HydrophobicContact CD1-CG 4.46Å; L34-R38 WeakPolarHBondContact O-CB 3.32Å; L34-R38 WeakPolarHBondContact O-CG 3.41Å; L34-R38 PolarHBondContact O-N 2.87Å |
| 35 | A | 85.5 | Confident | 80.7 | Confident | 10 Ų | 10 | 49 Ų | 49 | 8% | 0.083 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.5 | -42.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112 | K31 L37 R38 R39 I230 E234 | K31-A35 WeakPolarHBondContact O-CB 3.35Å; K31-A35 PolarHBondContact O-N 2.86Å; A35-L37 PolarHBondContact O-N 2.98Å; A35-R38 PolarHBondContact O-N 2.84Å; A35-R39 WeakPolarHBondContact O-CB 3.5Å; A35-R39 PolarHBondContact O-N 2.95Å; A35-I230 HydrophobicContact CB-CG2 3.51Å; A35-E234 WeakPolarHBondContact CB-OE1 3.25Å |
| 36 | K | 86.6 | Confident | 78.7 | Confident | 49 Ų | 49 | 50.7 Ų | 50.7 | 21% | 0.213 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.2 | -44.4 | 174.9 | -174.5 | 177.3 | 177.3 | 178.5 | 0 | 113 | A32 R33 L34 R39 E40 E210 E234 | A32-K36 WeakPolarHBondContact O-CB 3.32Å; A32-K36 PolarHBondContact O-N 3.01Å; A32-K36 VanDerWaalsContact O-N 3.1Å; R33-K36 PolarHBondContact O-N 3.37Å; L34-K36 VanDerWaalsContact C-N 3.35Å; L34-K36 PolarHBondContact O-N 3.18Å; K36-R39 WeakPolarHBondContact O-CB 3.3Å; K36-R39 PolarHBondContact O-N 2.92Å; K36-E40 PolarHBondContact O-N 3.44Å; K36-E40 VanDerWaalsContact O-N 3.13Å; K36-E210 PolarHBondContact NZ-O 3.46Å; K36-E210 IonicContact NZ-OE1 2.83Å; K36-E210 PolarHBondContact NZ-OE1 3.35Å; K36-E234 PolarHBondContact N-OE1 3.03Å |
| 37 | L | 86.8 | Confident | 76.1 | Confident | 22 Ų | 22 | 50.6 Ų | 50.6 | 12% | 0.115 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67.2 | -41.1 | 176.6 | -70.2 | 172.7 | 0 | 0 | 0 | 112.1 | I3 K6 I7 I10 R33 L34 A35 R39 E40 L41 | I3-L37 HydrophobicContact CG2-CB 4.46Å; I3-L37 HydrophobicContact CG2-CD2 4.37Å; K6-L37 HydrophobicContact CB-CD1 3.89Å; K6-L37 HydrophobicContact CD-CD2 4.47Å; I7-L37 HydrophobicContact CD1-CB 4.14Å; I7-L37 HydrophobicContact CG1-CB 3.78Å; I7-L37 HydrophobicContact CG1-CD1 4.1Å; I10-L37 HydrophobicContact CD1-CD1 3.63Å; R33-L37 WeakPolarHBondContact O-CG 3.38Å; R33-L37 PolarHBondContact O-N 3.07Å; L34-L37 PolarHBondContact O-N 2.84Å; A35-L37 PolarHBondContact O-N 2.98Å; L37-R39 VanDerWaalsContact C-N 3.32Å; L37-R39 PolarHBondContact O-N 3.37Å; L37-E40 WeakPolarHBondContact O-CB 3.46Å; L37-E40 PolarHBondContact O-N 3.21Å; L37-L41 PolarHBondContact O-N 3.48Å |
| 38 | R | 82.8 | Confident | 73.6 | Confident | 45 Ų | 45 | 56.1 Ų | 56.1 | 17% | 0.17 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.2 | -40.1 | 175 | -75.3 | 176.7 | 172.6 | -168.1 | -6.9 | 111.1 | I7 E11 L34 A35 E40 L41 I42 H162 G166 | I7-R38 HydrophobicContact CD1-CG 4.28Å; E11-R38 IonicContact OE1-CZ 2.93Å; E11-R38 IonicContact OE1-NE 2.92Å; E11-R38 IonicContact OE1-NH2 3.75Å; E11-R38 PolarHBondContact OE1-NH2 3.45Å; L34-R38 HydrophobicContact CD1-CG 4.46Å; L34-R38 WeakPolarHBondContact O-CB 3.32Å; L34-R38 WeakPolarHBondContact O-CG 3.41Å; L34-R38 PolarHBondContact O-N 2.87Å; A35-R38 PolarHBondContact O-N 2.84Å; R38-E40 PolarHBondContact O-N 3.13Å; R38-L41 WeakPolarHBondContact O-CB 3.31Å; R38-L41 PolarHBondContact O-N 3.28Å; R38-L41 VanDerWaalsContact O-N 3.16Å; R38-I42 WeakPolarHBondContact O-CG1 3.49Å; R38-I42 PolarHBondContact O-N 2.89Å; R38-H162 PolarHBondContact NH2-NE2 3.17Å; R38-G166 WeakPolarHBondContact CD-O 3.16Å |
| 39 | R | 80.8 | Confident | 71.2 | Confident | 92 Ų | 92 | 58.9 Ų | 58.9 | 35% | 0.347 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.1 | -43 | 173.2 | -175.9 | -177.2 | 64.9 | 127.9 | 5.8 | 112.4 | A35 K36 L37 L41 I42 T43 | A35-R39 WeakPolarHBondContact O-CB 3.5Å; A35-R39 PolarHBondContact O-N 2.95Å; K36-R39 WeakPolarHBondContact O-CB 3.3Å; K36-R39 PolarHBondContact O-N 2.92Å; L37-R39 VanDerWaalsContact C-N 3.32Å; L37-R39 PolarHBondContact O-N 3.37Å; R39-L41 PolarHBondContact O-N 2.94Å; R39-I42 PolarHBondContact O-N 2.96Å; R39-T43 HydrophobicContact CG-CG2 4.23Å; R39-T43 PolarHBondContact O-N 3.13Å; R39-T43 PolarHBondContact O-OG1 3.38Å; R39-T43 VanDerWaalsContact O-OG1 3.09Å |
| 40 | E | 81.6 | Confident | 68.8 | Low | 75 Ų | 75 | 61.8 Ų | 61.8 | 35% | 0.35 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61.4 | -25.9 | 177.2 | -74.1 | 177.7 | -165.6 | 0 | 0 | 113.3 | K36 L37 R38 | K36-E40 PolarHBondContact O-N 3.44Å; K36-E40 VanDerWaalsContact O-N 3.13Å; L37-E40 WeakPolarHBondContact O-CB 3.46Å; L37-E40 PolarHBondContact O-N 3.21Å; R38-E40 PolarHBondContact O-N 3.13Å |
| 41 | L | 75.3 | Confident | 66 | Low | 30 Ų | 30 | 65.7 Ų | 65.7 | 16% | 0.157 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -74.3 | -29.4 | 173.1 | -67.9 | 176.6 | 0 | 0 | 0 | 113 | I3 L4 I7 L37 R38 R39 R132 | I3-L41 HydrophobicContact CB-CD2 4.2Å; I3-L41 HydrophobicContact CG2-CD1 4.46Å; I3-L41 HydrophobicContact CG2-CD2 3.75Å; I3-L41 HydrophobicContact CG2-CG 3.92Å; L4-L41 HydrophobicContact CD2-CD1 3.93Å; I7-L41 HydrophobicContact CD1-CD1 3.47Å; I7-L41 VanDerWaalsContact CD1-CD1 3.47Å; I7-L41 HydrophobicContact CD1-CG 4.31Å; L37-L41 PolarHBondContact O-N 3.48Å; R38-L41 WeakPolarHBondContact O-CB 3.31Å; R38-L41 PolarHBondContact O-N 3.28Å; R38-L41 VanDerWaalsContact O-N 3.16Å; R39-L41 PolarHBondContact O-N 2.94Å; L41-R132 WeakPolarHBondContact O-CD 3.36Å; L41-R132 PolarHBondContact O-NE 3.38Å |
| 42 | I | 69.1 | Low | 63.6 | Low | 35 Ų | 35 | 70.6 Ų | 70.6 | 18% | 0.179 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -88.6 | -40.9 | -175.8 | -59.6 | 162.8 | 0 | 0 | 0 | 110.8 | R38 R39 P44 R139 F167 | R38-I42 WeakPolarHBondContact O-CG1 3.49Å; R38-I42 PolarHBondContact O-N 2.89Å; R39-I42 PolarHBondContact O-N 2.96Å; I42-P44 WeakPolarHBondContact O-CD 3.32Å; I42-R139 VanDerWaalsContact CG2-NH1 3.29Å; I42-F167 WeakPolarHBondContact CD1-O 3.41Å |
| 43 | T | 68 | Low | 61.1 | Low | 56 Ų | 56 | 73.8 Ų | 73.8 | 34% | 0.344 | 49% | 0.487 | S | S | . | . | S | Bend | trans | -67.5 | 122.8 | 177.6 | 47 | 0 | 0 | 0 | 0 | 109.7 | R39 K45 | R39-T43 HydrophobicContact CG-CG2 4.23Å; R39-T43 PolarHBondContact O-N 3.13Å; R39-T43 PolarHBondContact O-OG1 3.38Å; R39-T43 VanDerWaalsContact O-OG1 3.09Å; T43-K45 PolarHBondContact O-N 3.4Å |
| 44 | P | 58.2 | Low | 58.5 | Low | 118 Ų | 118 | 77.4 Ų | 77.4 | 77% | 0.766 | 51% | 0.508 | S | S | * | . | trans | -59.2 | 128 | 171.5 | 23.8 | -30.3 | 0 | 0 | 0 | 108 | I42 G46 | I42-P44 WeakPolarHBondContact O-CD 3.32Å; P44-G46 PolarHBondContact O-N 3.41Å | ||
| 45 | K | 50.5 | Low | 56.2 | Low | 173 Ų | 173 | 79.6 Ų | 79.6 | 75% | 0.752 | 53% | 0.534 | S | S | * | . | trans | -62.3 | 104.5 | 171.1 | -76.2 | -172.3 | 175 | -175.5 | 0 | 106.9 | T43 G47 | T43-K45 PolarHBondContact O-N 3.4Å; K45-G47 PolarHBondContact O-N 3.43Å; K45-G47 VanDerWaalsContact O-N 3.13Å | ||
| 46 | G | 40.3 | Very low | 54.3 | Low | 80 Ų | 80 | 81.3 Ų | 81.3 | 83% | 0.825 | 54% | 0.54 | S | S | * | . | trans | -59.9 | 114.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | P44 | P44-G46 PolarHBondContact O-N 3.41Š| ||
| 47 | G | 32.4 | Very low | 52.6 | Low | 66 Ų | 66 | 85.3 Ų | 85.3 | 68% | 0.68 | 56% | 0.564 | S | S | * | * | trans | -88.1 | 121.9 | 145 | 0 | 0 | 0 | 0 | 0 | 107.4 | K45 G49 | K45-G47 PolarHBondContact O-N 3.43Å; K45-G47 VanDerWaalsContact O-N 3.13Å; G47-G49 PolarHBondContact O-N 3.06Å | ||
| 48 | S | 34 | Very low | 51.3 | Low | 133 Ų | 133 | 85.6 Ų | 85.6 | 93% | 0.93 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -59.9 | 101.3 | 161.3 | 49.8 | 0 | 0 | 0 | 0 | 108.4 | ||
| 49 | G | 32.5 | Very low | 50.4 | Low | 61 Ų | 61 | 86.6 Ų | 86.6 | 63% | 0.629 | 58% | 0.584 | S | S | * | * | S | Bend | trans | 158.6 | 114 | 179 | 0 | 0 | 0 | 0 | 0 | 110 | G47 A51 | G47-G49 PolarHBondContact O-N 3.06Å; G49-A51 PolarHBondContact O-N 2.9Å |
| 50 | G | 38.3 | Very low | 49.8 | Very low | 94 Ų | 94 | 88 Ų | 88 | 97% | 0.969 | 59% | 0.593 | S | S | * | * | trans | -58.4 | 104.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 51 | A | 31 | Very low | 49.3 | Very low | 83 Ų | 83 | 87.5 Ų | 87.5 | 69% | 0.686 | 60% | 0.595 | S | S | * | * | trans | -161 | 98.8 | 161.8 | 0 | 0 | 0 | 0 | 0 | 107.1 | G49 G53 | G49-A51 PolarHBondContact O-N 2.9Å; A51-G53 PolarHBondContact O-N 3.13Å | ||
| 52 | T | 37.2 | Very low | 49.4 | Very low | 141 Ų | 141 | 87.3 Ų | 87.3 | 87% | 0.865 | 60% | 0.601 | S | S | * | * | trans | -2.3 | 90.4 | 148.5 | 50 | 0 | 0 | 0 | 0 | 114.6 | E54 | T52-E54 PolarHBondContact O-N 3.06Š| ||
| 53 | G | 34.7 | Very low | 50.1 | Low | 66 Ų | 66 | 86.9 Ų | 86.9 | 68% | 0.68 | 60% | 0.598 | S | S | * | * | trans | -60.8 | 129.7 | 140 | 0 | 0 | 0 | 0 | 0 | 105.5 | A51 G55 | A51-G53 PolarHBondContact O-N 3.13Å; G53-G55 WeakPolarHBondContact O-CA 3.37Å; G53-G55 PolarHBondContact O-N 2.84Å | ||
| 54 | E | 35 | Very low | 51.1 | Low | 181 Ų | 181 | 84.2 Ų | 84.2 | 85% | 0.846 | 58% | 0.582 | S | S | * | * | trans | -48.9 | 95.7 | 176.7 | -74.9 | -177.7 | 155.5 | 0 | 0 | 108.6 | T52 F56 Q133 | T52-E54 PolarHBondContact O-N 3.06Å; E54-F56 PolarHBondContact O-N 2.89Å; E54-Q133 PolarHBondContact O-NE2 3.21Å | ||
| 55 | G | 38.8 | Very low | 52.6 | Low | 61 Ų | 61 | 79.3 Ų | 79.3 | 63% | 0.629 | 55% | 0.548 | S | S | * | . | trans | -80.2 | 117.4 | -169.7 | 0 | 0 | 0 | 0 | 0 | 106.2 | G53 D57 | G53-G55 WeakPolarHBondContact O-CA 3.37Å; G53-G55 PolarHBondContact O-N 2.84Å; G55-D57 PolarHBondContact O-N 2.57Å | ||
| 56 | F | 47 | Very low | 54.6 | Low | 47 Ų | 47 | 71 Ų | 71 | 21% | 0.206 | 51% | 0.512 | C | S | . | . | trans | -69.9 | 48.5 | 156.2 | -149.6 | -81.6 | 0 | 0 | 0 | 108.7 | E54 V58 T99 T100 Q133 V137 | E54-F56 PolarHBondContact O-N 2.89Å; F56-V58 VanDerWaalsContact C-N 3.27Å; F56-V58 HydrophobicContact CD1-CG2 3.84Å; F56-V58 HydrophobicContact CE1-CG2 3.79Å; F56-V58 PolarHBondContact O-N 3.01Å; F56-V58 VanDerWaalsContact O-N 3.17Å; F56-T99 HydrophobicContact CD2-CG2 3.98Å; F56-T99 HydrophobicContact CE2-CG2 3.49Å; F56-T99 VanDerWaalsContact CE2-CG2 3.49Å; F56-T99 HydrophobicContact CZ-CG2 3.93Å; F56-T100 HydrophobicContact CZ-CG2 4.39Å; F56-Q133 HydrophobicContact CB-CB 3.56Å; F56-Q133 HydrophobicContact CB-CG 3.72Å; F56-Q133 HydrophobicContact CG-CB 4.16Å; F56-V137 HydrophobicContact CD1-CG2 3.84Å; F56-V137 HydrophobicContact CE1-CG2 4.38Å; F56-V137 WeakPolarHBondContact O-CG2 3.48Å | ||
| 57 | D | 51 | Low | 57 | Low | 133 Ų | 133 | 67.2 Ų | 67.2 | 71% | 0.711 | 47% | 0.473 | S | S | * | . | trans | -85.5 | 84.9 | 169.9 | -164.1 | 9.1 | 0 | 0 | 0 | 105.3 | G55 A59 | G55-D57 PolarHBondContact O-N 2.57Å; D57-A59 PolarHBondContact O-N 2.85Å | ||
| 58 | V | 59.2 | Low | 59.7 | Low | 27 Ų | 27 | 64.1 Ų | 64.1 | 16% | 0.164 | 44% | 0.441 | C | S | . | . | trans | -58.6 | 114 | 170.2 | -178.9 | 0 | 0 | 0 | 0 | 105.5 | F56 K60 R65 L115 V137 | F56-V58 VanDerWaalsContact C-N 3.27Å; F56-V58 HydrophobicContact CD1-CG2 3.84Å; F56-V58 HydrophobicContact CE1-CG2 3.79Å; F56-V58 PolarHBondContact O-N 3.01Å; F56-V58 VanDerWaalsContact O-N 3.17Å; V58-K60 PolarHBondContact O-N 3.33Å; V58-R65 PolarHBondContact O-NH2 2.87Å; V58-L115 HydrophobicContact CG1-CD2 3.92Å; V58-V137 HydrophobicContact CG2-CG2 4.46Å | ||
| 59 | A | 62.4 | Low | 62.3 | Low | 67 Ų | 67 | 57.8 Ų | 57.8 | 55% | 0.554 | 40% | 0.396 | S | S | * | . | trans | -52.7 | 139.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | D57 T61 R65 Q113 | D57-A59 PolarHBondContact O-N 2.85Å; A59-T61 PolarHBondContact O-N 3.46Å; A59-R65 VanDerWaalsContact C-NH2 3.33Å; A59-Q113 PolarHBondContact O-NE2 3.47Å | ||
| 60 | K | 69.9 | Low | 64.9 | Low | 122 Ų | 122 | 55.2 Ų | 55.2 | 53% | 0.53 | 37% | 0.37 | S | S | . | . | trans | -69.8 | 108 | 177.6 | -170.3 | 172.2 | 177.1 | 178.3 | 0 | 108.1 | V58 | V58-K60 PolarHBondContact O-N 3.33Š| ||
| 61 | T | 69.8 | Low | 67.1 | Low | 63 Ų | 63 | 52 Ų | 52 | 39% | 0.387 | 33% | 0.33 | S | S | . | . | trans | -110.2 | 135.9 | 173.5 | 59.3 | 0 | 0 | 0 | 0 | 108.4 | A59 Q113 | A59-T61 PolarHBondContact O-N 3.46Å; T61-Q113 VanDerWaalsContact O-CB 3.31Å; T61-Q113 WeakPolarHBondContact O-CB 3.49Å; T61-Q113 PolarHBondContact O-OE1 2.96Å; T61-Q113 PolarHBondContact OG1-NE2 2.89Å | ||
| 62 | G | 77.4 | Confident | 69.5 | Low | 27 Ų | 27 | 51.9 Ų | 51.9 | 28% | 0.278 | 32% | 0.322 | S | S | . | . | S | Bend | trans | 79.3 | -167.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | K111 | G62-K111 CarbonylContact C-O 3.1Š|
| 63 | D | 84.8 | Confident | 71.6 | Confident | 25 Ų | 25 | 50.5 Ų | 50.5 | 13% | 0.134 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -94.6 | -34 | -169.3 | -57.3 | -55.7 | 0 | 0 | 0 | 112.1 | K111 V309 K323 | D63-K111 PolarHBondContact N-O 2.89Å; D63-K111 PolarHBondContact OD2-N 3.23Å; D63-V309 HydrophobicContact CB-CB 3.88Å; D63-V309 HydrophobicContact CB-CG1 3.81Å; D63-K323 IonicContact OD1-NZ 3.43Å; D63-K323 PolarHBondContact OD1-NZ 3.4Å |
| 64 | A | 89.4 | Confident | 74 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 154.5 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | K111 I112 Q113 L288 L290 | A64-K111 PolarHBondContact N-O 3Å; A64-I112 HydrophobicContact CB-CG2 4.48Å; A64-Q113 PolarHBondContact O-N 2.67Å; A64-L288 HydrophobicContact CB-CD1 3.98Å; A64-L288 HydrophobicContact CB-CD2 3.88Å; A64-L288 HydrophobicContact CB-CG 4.49Å; A64-L290 HydrophobicContact CB-CD1 3.94Å; A64-L290 HydrophobicContact CB-CD2 4.22Å |
| 65 | R | 89.7 | Confident | 76.3 | Confident | 15 Ų | 15 | 39.7 Ų | 39.7 | 6% | 0.057 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 130.2 | 174 | -74.5 | 176.8 | 172.7 | 175.8 | -3.6 | 111.3 | V58 A59 Q113 L115 T140 N142 L143 | V58-R65 PolarHBondContact O-NH2 2.87Å; A59-R65 VanDerWaalsContact C-NH2 3.33Å; R65-Q113 CarbonylContact C-O 3.59Å; R65-Q113 WeakPolarHBondContact CA-O 3.47Å; R65-Q113 HydrophobicContact CG-CB 4.26Å; R65-Q113 VanDerWaalsContact NE-OE1 3.12Å; R65-L115 HydrophobicContact CB-CD1 4.07Å; R65-L115 HydrophobicContact CG-CD1 4.03Å; R65-T140 VanDerWaalsContact NH1-CB 3.27Å; R65-T140 PolarHBondContact NH1-OG1 2.69Å; R65-N142 PolarHBondContact N-OD1 2.85Å; R65-N142 WeakPolarHBondContact O-CB 3.5Å; R65-N142 PolarHBondContact O-N 3.26Å; R65-L143 PolarHBondContact O-N 3.12Å |
| 66 | V | 91.9 | Very high | 78.5 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 117.7 | 176.7 | -177.6 | 0 | 0 | 0 | 0 | 109 | F68 I112 Q113 L114 L115 L143 L145 M284 L288 | V66-F68 HydrophobicContact CG1-CE2 4.14Å; V66-I112 HydrophobicContact CB-CG2 4.4Å; V66-I112 HydrophobicContact CG2-CG2 3.48Å; V66-I112 VanDerWaalsContact CG2-CG2 3.48Å; V66-Q113 PolarHBondContact N-O 2.94Å; V66-L114 HydrophobicContact CB-CD2 4.1Å; V66-L115 PolarHBondContact O-N 3.36Å; V66-L143 CarbonylContact C-O 3.55Å; V66-L143 WeakPolarHBondContact CA-O 3.14Å; V66-L143 HydrophobicContact CG1-CB 4.46Å; V66-L143 HydrophobicContact CG1-CD2 4.31Å; V66-L143 HydrophobicContact CG1-CG 4.34Å; V66-L143 HydrophobicContact CG2-CB 4.26Å; V66-L143 HydrophobicContact CG2-CD2 4.34Å; V66-L145 HydrophobicContact CG1-CD1 3.74Å; V66-L145 HydrophobicContact CG1-CD2 4.44Å; V66-L145 HydrophobicContact CG1-CG 3.65Å; V66-M284 HydrophobicContact CB-CE 4.35Å; V66-M284 HydrophobicContact CG1-CE 4.01Å; V66-M284 HydrophobicContact CG2-CE 3.95Å; V66-L288 HydrophobicContact CG2-CD1 4.15Å; V66-L288 HydrophobicContact CG2-CD2 4.32Å |
| 67 | G | 90.9 | Very high | 80.2 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 132.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L115 L143 I144 L145 | G67-L115 CarbonylContact C-O 3.59Å; G67-L115 WeakPolarHBondContact CA-O 3.36Å; G67-L143 PolarHBondContact N-O 3.37Å; G67-I144 CarbonylContact O-C 3.55Å; G67-I144 WeakPolarHBondContact O-CA 3.48Å; G67-L145 PolarHBondContact O-N 2.88Å |
| 68 | F | 89.4 | Confident | 81.8 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 125 | 176.4 | -71.1 | -112 | 0 | 0 | 0 | 109.9 | V66 K76 L79 L80 L83 L114 L115 L117 L145 V147 | V66-F68 HydrophobicContact CG1-CE2 4.14Å; F68-K76 HydrophobicContact CB-CD 4.17Å; F68-K76 HydrophobicContact CB-CG 4.2Å; F68-L79 HydrophobicContact CD1-CD2 4.24Å; F68-L79 HydrophobicContact CE1-CD2 3.8Å; F68-L79 HydrophobicContact CE1-CG 4.03Å; F68-L80 HydrophobicContact CB-CD1 4.34Å; F68-L80 HydrophobicContact CB-CD2 4.45Å; F68-L80 HydrophobicContact CD1-CD2 3.94Å; F68-L80 HydrophobicContact CD1-CG 3.97Å; F68-L80 HydrophobicContact CD2-CD2 3.42Å; F68-L80 VanDerWaalsContact CD2-CD2 3.42Å; F68-L80 HydrophobicContact CD2-CG 4.26Å; F68-L80 HydrophobicContact CE1-CD2 3.94Å; F68-L80 HydrophobicContact CE1-CG 4.17Å; F68-L80 HydrophobicContact CE2-CD2 3.43Å; F68-L80 VanDerWaalsContact CE2-CD2 3.43Å; F68-L80 HydrophobicContact CE2-CG 4.47Å; F68-L80 HydrophobicContact CG-CD1 4.35Å; F68-L80 HydrophobicContact CG-CD2 3.68Å; F68-L80 HydrophobicContact CG-CG 4Å; F68-L80 HydrophobicContact CZ-CD2 3.68Å; F68-L80 HydrophobicContact CZ-CG 4.41Å; F68-L83 HydrophobicContact CE1-CD1 4.08Å; F68-L83 HydrophobicContact CZ-CD1 3.84Å; F68-L114 HydrophobicContact CE2-CB 3.94Å; F68-L114 HydrophobicContact CE2-CD1 4.48Å; F68-L114 HydrophobicContact CE2-CD2 3.96Å; F68-L114 HydrophobicContact CE2-CG 4.33Å; F68-L114 HydrophobicContact CZ-CD2 4.38Å; F68-L115 PolarHBondContact N-O 2.81Å; F68-L117 WeakPolarHBondContact O-CB 3.46Å; F68-L117 PolarHBondContact O-N 2.83Å; F68-L145 HydrophobicContact CD1-CB 4.29Å; F68-L145 HydrophobicContact CD1-CD1 4.16Å; F68-L145 HydrophobicContact CE1-CD1 3.58Å; F68-L145 HydrophobicContact CE2-CD1 3.98Å; F68-L145 HydrophobicContact CZ-CD1 3.49Å; F68-L145 VanDerWaalsContact CZ-CD1 3.49Å; F68-V147 HydrophobicContact CD1-CG2 4.16Å |
| 69 | V | 88.8 | Confident | 83.1 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 131 | 178.6 | -173.2 | 0 | 0 | 0 | 0 | 108.6 | L117 I120 I121 I144 L145 I146 V147 I160 | V69-L117 HydrophobicContact CG2-CB 4.15Å; V69-L117 HydrophobicContact CG2-CD1 3.71Å; V69-I120 HydrophobicContact CG1-CB 4.48Å; V69-I120 HydrophobicContact CG1-CD1 4.38Å; V69-I120 HydrophobicContact CG2-CD1 3.97Å; V69-I121 HydrophobicContact CG1-CD1 4.15Å; V69-I121 HydrophobicContact CG1-CG1 4.4Å; V69-I144 HydrophobicContact CB-CG2 4.43Å; V69-I144 HydrophobicContact CG2-CG2 3.8Å; V69-L145 PolarHBondContact N-O 3Å; V69-I146 CarbonylContact O-C 3.58Å; V69-I146 VanDerWaalsContact O-CA 3.32Å; V69-I146 WeakPolarHBondContact O-CA 3.48Å; V69-V147 PolarHBondContact O-N 2.69Å; V69-I160 HydrophobicContact CB-CG2 4.39Å; V69-I160 HydrophobicContact CG1-CD1 4.45Å; V69-I160 HydrophobicContact CG1-CG1 4.38Å; V69-I160 HydrophobicContact CG1-CG2 3.59Å |
| 70 | G | 87.2 | Confident | 84.2 | Confident | 8 Ų | 8 | 32.5 Ų | 32.5 | 8% | 0.082 | 20% | 0.201 | C | C | . | . | trans | 177.9 | 152.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | I121 | G70-I121 WeakPolarHBondContact O-CD1 3.32Š| ||
| 71 | F | 84.3 | Confident | 84.8 | Confident | 27 Ų | 27 | 30.6 Ų | 30.6 | 12% | 0.118 | 20% | 0.203 | C | C | . | . | trans | -61.6 | 159.4 | 176.6 | -81.1 | -97.8 | 0 | 0 | 0 | 110.9 | V74 I121 H156 L159 I160 | F71-V74 HydrophobicContact CB-CG1 4.07Å; F71-V74 WeakPolarHBondContact O-CG2 3.28Å; F71-I121 HydrophobicContact CD1-CG2 3.48Å; F71-I121 VanDerWaalsContact CD1-CG2 3.48Å; F71-I121 HydrophobicContact CD2-CD1 3.88Å; F71-I121 HydrophobicContact CD2-CG2 3.83Å; F71-I121 HydrophobicContact CE1-CG2 3.07Å; F71-I121 HydrophobicContact CE2-CD1 4.2Å; F71-I121 HydrophobicContact CE2-CG2 3.43Å; F71-I121 VanDerWaalsContact CE2-CG2 3.43Å; F71-I121 HydrophobicContact CG-CD1 4.21Å; F71-I121 HydrophobicContact CG-CG2 3.86Å; F71-I121 HydrophobicContact CZ-CG2 3.04Å; F71-H156 HydrophobicContact CD2-CB 3.6Å; F71-H156 AromaticContact CD2-CD2 3.7Å; F71-H156 AromaticContact CD2-CG 3.38Å; F71-H156 AromaticContact CD2-ND1 3.69Å; F71-H156 HydrophobicContact CE2-CB 3.64Å; F71-H156 AromaticContact CE2-CD2 3.65Å; F71-H156 AromaticContact CE2-CG 3.62Å; F71-H156 AromaticContact CG-ND1 3.98Å; F71-H156 AromaticContact CZ-CD2 3.99Å; F71-L159 HydrophobicContact CE2-CB 4.36Å; F71-L159 HydrophobicContact CE2-CD1 4.44Å; F71-L159 HydrophobicContact CZ-CB 4.19Å; F71-L159 HydrophobicContact CZ-CD1 3.73Å; F71-I160 HydrophobicContact CD2-CD1 4.11Å; F71-I160 HydrophobicContact CD2-CG1 4.43Å; F71-I160 HydrophobicContact CE2-CD1 4.22Å; F71-I160 HydrophobicContact CE2-CG1 4.1Å | ||
| 72 | P | 81.1 | Confident | 85.5 | Confident | 80 Ų | 80 | 28.7 Ų | 28.7 | 52% | 0.519 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | 152.2 | 165.4 | -23.7 | 34.4 | 0 | 0 | 0 | 111.4 | V74 | P72-V74 PolarHBondContact O-N 3.33Å; P72-V74 VanDerWaalsContact O-N 3.08Å |
| 73 | S | 80.8 | Confident | 85.8 | Confident | 112 Ų | 112 | 27.4 Ų | 27.4 | 78% | 0.783 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67 | 5.2 | 173.2 | -49.5 | 0 | 0 | 0 | 0 | 117.4 | G75 K248 | S73-G75 VanDerWaalsContact C-N 3.26Å; S73-G75 PolarHBondContact O-N 3.12Å; S73-K248 PolarHBondContact O-NZ 3.38Å |
| 74 | V | 85.9 | Confident | 85.4 | Confident | 3 Ų | 3 | 27.3 Ų | 27.3 | 2% | 0.018 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -80.6 | -3.2 | 170.2 | -55 | 0 | 0 | 0 | 0 | 113.3 | F71 P72 K76 V147 D149 N247 | F71-V74 HydrophobicContact CB-CG1 4.07Å; F71-V74 WeakPolarHBondContact O-CG2 3.28Å; P72-V74 PolarHBondContact O-N 3.33Å; P72-V74 VanDerWaalsContact O-N 3.08Å; V74-K76 HydrophobicContact CG2-CB 4.19Å; V74-V147 HydrophobicContact CB-CG1 4.43Å; V74-V147 HydrophobicContact CG2-CB 4.01Å; V74-V147 HydrophobicContact CG2-CG1 3.74Å; V74-D149 HydrophobicContact CG1-CB 4.45Å; V74-N247 PolarHBondContact O-ND2 2.69Å |
| 75 | G | 82.8 | Confident | 84.4 | Confident | 17 Ų | 17 | 30.4 Ų | 30.4 | 18% | 0.175 | 21% | 0.211 | C | C | . | . | S | Bend | trans | 88.7 | 15.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | S73 S77 T78 L79 | S73-G75 VanDerWaalsContact C-N 3.26Å; S73-G75 PolarHBondContact O-N 3.12Å; G75-S77 PolarHBondContact O-N 3.5Å; G75-T78 PolarHBondContact O-N 2.89Å; G75-L79 WeakPolarHBondContact O-CB 3.27Å; G75-L79 PolarHBondContact O-N 3.14Å |
| 76 | K | 84.8 | Confident | 83 | Confident | 22 Ų | 22 | 33.2 Ų | 33.2 | 10% | 0.096 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -53.5 | -49.9 | 176.6 | 178.2 | 175.3 | 60.8 | 71.9 | 0 | 113.2 | F68 V74 T78 L79 L80 D116 | F68-K76 HydrophobicContact CB-CD 4.17Å; F68-K76 HydrophobicContact CB-CG 4.2Å; V74-K76 HydrophobicContact CG2-CB 4.19Å; K76-T78 PolarHBondContact O-N 2.86Å; K76-L79 PolarHBondContact O-N 2.83Å; K76-L80 HydrophobicContact CG-CD1 4.12Å; K76-L80 PolarHBondContact O-N 3Å; K76-D116 WeakPolarHBondContact CD-OD1 3.45Å; K76-D116 WeakPolarHBondContact CE-OD1 3.44Å; K76-D116 IonicContact NZ-OD1 2.71Å; K76-D116 PolarHBondContact NZ-OD1 3.07Å; K76-D116 IonicContact NZ-OD2 2.62Å; K76-D116 PolarHBondContact NZ-OD2 2.75Å |
| 77 | S | 82.1 | Confident | 81.3 | Confident | 75 Ų | 75 | 36.9 Ų | 36.9 | 52% | 0.524 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -65.7 | -39.6 | -179.1 | -50.9 | 0 | 0 | 0 | 0 | 111.9 | G75 L80 S81 | G75-S77 PolarHBondContact O-N 3.5Å; S77-L80 PolarHBondContact O-N 2.89Å; S77-S81 WeakPolarHBondContact O-CB 3.47Å; S77-S81 PolarHBondContact O-N 2.94Å; S77-S81 PolarHBondContact O-OG 3.43Å; S77-S81 VanDerWaalsContact O-OG 3.1Å |
| 78 | T | 85.5 | Confident | 79.4 | Confident | 68 Ų | 68 | 39.2 Ų | 39.2 | 42% | 0.417 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.4 | -43.4 | 175.2 | -48.6 | 0 | 0 | 0 | 0 | 111.5 | G75 K76 N82 A271 | G75-T78 PolarHBondContact O-N 2.89Å; K76-T78 PolarHBondContact O-N 2.86Å; T78-N82 WeakPolarHBondContact O-CB 3.35Å; T78-N82 PolarHBondContact O-N 3.3Å; T78-N82 PolarHBondContact O-ND2 3.42Å; T78-A271 HydrophobicContact CG2-CB 4.29Å |
| 79 | L | 87.1 | Confident | 77.2 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.4 | -48.5 | 175.8 | 179.1 | 60.5 | 0 | 0 | 0 | 111.5 | F68 G75 K76 N82 L83 V147 V245 I269 A271 F277 L280 | F68-L79 HydrophobicContact CD1-CD2 4.24Å; F68-L79 HydrophobicContact CE1-CD2 3.8Å; F68-L79 HydrophobicContact CE1-CG 4.03Å; G75-L79 WeakPolarHBondContact O-CB 3.27Å; G75-L79 PolarHBondContact O-N 3.14Å; K76-L79 PolarHBondContact O-N 2.83Å; L79-N82 PolarHBondContact O-N 3.03Å; L79-L83 HydrophobicContact CD1-CD1 3.76Å; L79-L83 HydrophobicContact CD1-CG 4.02Å; L79-L83 HydrophobicContact CG-CD1 3.88Å; L79-L83 HydrophobicContact CG-CG 4.49Å; L79-L83 WeakPolarHBondContact O-CB 3.18Å; L79-L83 WeakPolarHBondContact O-CG 3.31Å; L79-L83 PolarHBondContact O-N 3.46Å; L79-V147 HydrophobicContact CD2-CG2 4.05Å; L79-V245 HydrophobicContact CD2-CG1 4.02Å; L79-I269 HydrophobicContact CD1-CD1 3.57Å; L79-I269 HydrophobicContact CD2-CD1 3.78Å; L79-I269 HydrophobicContact CG-CD1 4.23Å; L79-A271 HydrophobicContact CB-CB 4.33Å; L79-F277 HydrophobicContact CD1-CE1 3.81Å; L79-F277 HydrophobicContact CD1-CE2 3.83Å; L79-F277 HydrophobicContact CD1-CZ 3.37Å; L79-L280 HydrophobicContact CD1-CD2 4.14Å; L79-L280 HydrophobicContact CD2-CD2 4.45Å |
| 80 | L | 85.3 | Confident | 74.6 | Confident | 19 Ų | 19 | 52.1 Ų | 52.1 | 10% | 0.099 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -58.1 | -49.4 | 177.1 | -82.3 | 167.8 | 0 | 0 | 0 | 112.1 | F68 K76 S77 N82 L83 A84 L114 D116 | F68-L80 HydrophobicContact CB-CD1 4.34Å; F68-L80 HydrophobicContact CB-CD2 4.45Å; F68-L80 HydrophobicContact CD1-CD2 3.94Å; F68-L80 HydrophobicContact CD1-CG 3.97Å; F68-L80 HydrophobicContact CD2-CD2 3.42Å; F68-L80 VanDerWaalsContact CD2-CD2 3.42Å; F68-L80 HydrophobicContact CD2-CG 4.26Å; F68-L80 HydrophobicContact CE1-CD2 3.94Å; F68-L80 HydrophobicContact CE1-CG 4.17Å; F68-L80 HydrophobicContact CE2-CD2 3.43Å; F68-L80 VanDerWaalsContact CE2-CD2 3.43Å; F68-L80 HydrophobicContact CE2-CG 4.47Å; F68-L80 HydrophobicContact CG-CD1 4.35Å; F68-L80 HydrophobicContact CG-CD2 3.68Å; F68-L80 HydrophobicContact CG-CG 4Å; F68-L80 HydrophobicContact CZ-CD2 3.68Å; F68-L80 HydrophobicContact CZ-CG 4.41Å; K76-L80 HydrophobicContact CG-CD1 4.12Å; K76-L80 PolarHBondContact O-N 3Å; S77-L80 PolarHBondContact O-N 2.89Å; L80-N82 PolarHBondContact O-N 3.32Å; L80-L83 PolarHBondContact O-N 3.39Å; L80-A84 VanDerWaalsContact O-CB 3.22Å; L80-A84 WeakPolarHBondContact O-CB 3.43Å; L80-A84 PolarHBondContact O-N 3.41Å; L80-L114 HydrophobicContact CD2-CB 4.14Å; L80-D116 HydrophobicContact CD1-CB 3.67Å |
| 81 | S | 82.1 | Confident | 72.1 | Confident | 82 Ų | 82 | 53.7 Ų | 53.7 | 57% | 0.573 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -63.7 | -40 | 179.6 | -63.4 | 0 | 0 | 0 | 0 | 112.4 | S77 G85 | S77-S81 WeakPolarHBondContact O-CB 3.47Å; S77-S81 PolarHBondContact O-N 2.94Å; S77-S81 PolarHBondContact O-OG 3.43Å; S77-S81 VanDerWaalsContact O-OG 3.1Å; S81-G85 PolarHBondContact O-N 3.2Å |
| 82 | N | 84.3 | Confident | 69.6 | Low | 23 Ų | 23 | 57 Ų | 57 | 12% | 0.123 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -70.9 | -42.2 | 178.6 | -78 | -29.3 | 0 | 0 | 0 | 111.9 | T78 L79 L80 V86 A271 R274 F277 | T78-N82 WeakPolarHBondContact O-CB 3.35Å; T78-N82 PolarHBondContact O-N 3.3Å; T78-N82 PolarHBondContact O-ND2 3.42Å; L79-N82 PolarHBondContact O-N 3.03Å; L80-N82 PolarHBondContact O-N 3.32Å; N82-V86 WeakPolarHBondContact O-CB 3.36Å; N82-V86 WeakPolarHBondContact O-CG2 3.31Å; N82-V86 PolarHBondContact O-N 2.96Å; N82-V86 VanDerWaalsContact O-N 3.09Å; N82-A271 PolarHBondContact ND2-O 2.96Å; N82-R274 PolarHBondContact OD1-NE 3.35Å; N82-R274 PolarHBondContact OD1-NH2 3.44Å; N82-F277 HydrophobicContact CB-CE2 3.56Å; N82-F277 HydrophobicContact CB-CZ 4.08Å |
| 83 | L | 83.3 | Confident | 67.6 | Low | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -65.2 | -45.1 | 176.1 | -73.2 | 172.2 | 0 | 0 | 0 | 111.6 | F68 L79 L80 Y87 I105 L114 F277 L280 L281 | F68-L83 HydrophobicContact CE1-CD1 4.08Å; F68-L83 HydrophobicContact CZ-CD1 3.84Å; L79-L83 HydrophobicContact CD1-CD1 3.76Å; L79-L83 HydrophobicContact CD1-CG 4.02Å; L79-L83 HydrophobicContact CG-CD1 3.88Å; L79-L83 HydrophobicContact CG-CG 4.49Å; L79-L83 WeakPolarHBondContact O-CB 3.18Å; L79-L83 WeakPolarHBondContact O-CG 3.31Å; L79-L83 PolarHBondContact O-N 3.46Å; L80-L83 PolarHBondContact O-N 3.39Å; L83-Y87 WeakPolarHBondContact O-CD2 3.4Å; L83-Y87 PolarHBondContact O-N 2.87Å; L83-I105 WeakPolarHBondContact O-CG2 3.07Å; L83-L114 HydrophobicContact CB-CD1 4.07Å; L83-F277 HydrophobicContact CD2-CD2 3.62Å; L83-F277 HydrophobicContact CD2-CE2 4.04Å; L83-F277 HydrophobicContact CD2-CG 4.36Å; L83-F277 HydrophobicContact CG-CD2 4.15Å; L83-F277 HydrophobicContact CG-CE2 4.03Å; L83-L280 HydrophobicContact CD1-CD2 4.26Å; L83-L281 HydrophobicContact CD2-CD1 4.47Å; L83-L281 HydrophobicContact CD2-CD2 4.21Å; L83-L281 HydrophobicContact CD2-CG 4.27Å |
| 84 | A | 76.1 | Confident | 65.2 | Low | 23 Ų | 23 | 66 Ų | 66 | 19% | 0.19 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -66.2 | -42.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L80 S88 | L80-A84 VanDerWaalsContact O-CB 3.22Å; L80-A84 WeakPolarHBondContact O-CB 3.43Å; L80-A84 PolarHBondContact O-N 3.41Å; A84-S88 WeakPolarHBondContact O-CB 3.46Å; A84-S88 PolarHBondContact O-N 3.48Å; A84-S88 VanDerWaalsContact O-N 3.16Å |
| 85 | G | 69.6 | Low | 62.6 | Low | 64 Ų | 64 | 74.4 Ų | 74.4 | 66% | 0.66 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -69.7 | -34.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | S81 | S81-G85 PolarHBondContact O-N 3.2Å |
| 86 | V | 60 | Low | 60 | Low | 74 Ų | 74 | 78.1 Ų | 78.1 | 45% | 0.448 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -82.1 | -29.7 | -177.4 | 176.7 | 0 | 0 | 0 | 0 | 112.2 | N82 | N82-V86 WeakPolarHBondContact O-CB 3.36Å; N82-V86 WeakPolarHBondContact O-CG2 3.31Å; N82-V86 PolarHBondContact O-N 2.96Å; N82-V86 VanDerWaalsContact O-N 3.09Å |
| 87 | Y | 56.6 | Low | 57.4 | Low | 77 Ų | 77 | 83.9 Ų | 83.9 | 30% | 0.302 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -121.1 | 14.6 | -169.6 | -60.8 | -82.1 | 0 | 0 | 0 | 114.8 | L83 I105 R106 L281 | L83-Y87 WeakPolarHBondContact O-CD2 3.4Å; L83-Y87 PolarHBondContact O-N 2.87Å; Y87-I105 WeakPolarHBondContact O-CA 3.49Å; Y87-R106 PolarHBondContact O-N 3.22Å; Y87-L281 HydrophobicContact CD1-CD1 4.27Å; Y87-L281 HydrophobicContact CD2-CD1 3.86Å; Y87-L281 HydrophobicContact CE1-CD1 3.8Å; Y87-L281 HydrophobicContact CE2-CD1 3.35Å; Y87-L281 HydrophobicContact CG-CD1 4.29Å |
| 88 | S | 50.4 | Low | 55.3 | Low | 50 Ų | 50 | 86.7 Ų | 86.7 | 35% | 0.35 | 49% | 0.492 | S | S | . | . | trans | -96.6 | 125.4 | 175.9 | -169.3 | 0 | 0 | 0 | 0 | 112.4 | A84 V90 V104 | A84-S88 WeakPolarHBondContact O-CB 3.46Å; A84-S88 PolarHBondContact O-N 3.48Å; A84-S88 VanDerWaalsContact O-N 3.16Å; S88-V90 VanDerWaalsContact C-N 3.33Å; S88-V90 PolarHBondContact O-N 3.34Å; S88-V104 WeakPolarHBondContact CB-O 3.26Å; S88-V104 PolarHBondContact OG-O 3.45Å | ||
| 89 | E | 43 | Very low | 52.9 | Low | 133 Ų | 133 | 86.3 Ų | 86.3 | 62% | 0.621 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -89.6 | 47.4 | 170.6 | -71.4 | -173.3 | 146.4 | 0 | 0 | 112.2 | R106 | E89-R106 WeakPolarHBondContact OE2-CD 3.46Å; E89-R106 IonicContact OE2-CZ 2.7Å; E89-R106 IonicContact OE2-NE 2.65Å; E89-R106 PolarHBondContact OE2-NE 3.27Å; E89-R106 IonicContact OE2-NH2 3.05Å; E89-R106 PolarHBondContact OE2-NH2 3.41Å |
| 90 | V | 35.4 | Very low | 51 | Low | 137 Ų | 137 | 87.4 Ų | 87.4 | 83% | 0.83 | 50% | 0.497 | S | S | * | . | S | Bend | trans | 84 | 105.4 | -178.6 | -167.3 | 0 | 0 | 0 | 0 | 114 | S88 | S88-V90 VanDerWaalsContact C-N 3.33Å; S88-V90 PolarHBondContact O-N 3.34Å |
| 91 | A | 33.8 | Very low | 49.3 | Very low | 41 Ų | 41 | 92.4 Ų | 92.4 | 34% | 0.339 | 53% | 0.528 | S | S | . | . | 171.9 | 93.6 | 113.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | Y93 | A91-Y93 HydrophobicContact CB-CD2 3.5Å; A91-Y93 VanDerWaalsContact CB-CD2 3.5Å; A91-Y93 HydrophobicContact CB-CE2 3.27Å; A91-Y93 HydrophobicContact CB-CG 4.39Å; A91-Y93 PolarHBondContact O-N 2.95Å | |||
| 92 | A | 32.4 | Very low | 48.3 | Very low | 98 Ų | 98 | 91.3 Ų | 91.3 | 81% | 0.81 | 52% | 0.518 | S | S | * | . | trans | -64.4 | 89.1 | 150.7 | 0 | 0 | 0 | 0 | 0 | 106.4 | E94 | A92-E94 PolarHBondContact O-N 2.81Š| ||
| 93 | Y | 38.3 | Very low | 47.7 | Very low | 201 Ų | 201 | 90.8 Ų | 90.8 | 79% | 0.788 | 52% | 0.519 | S | S | * | . | trans | -70.9 | 88.7 | 161.5 | -74.8 | -80.5 | 0 | 0 | 0 | 106.1 | A91 F95 | A91-Y93 HydrophobicContact CB-CD2 3.5Å; A91-Y93 VanDerWaalsContact CB-CD2 3.5Å; A91-Y93 HydrophobicContact CB-CE2 3.27Å; A91-Y93 HydrophobicContact CB-CG 4.39Å; A91-Y93 PolarHBondContact O-N 2.95Å; Y93-F95 PolarHBondContact O-N 2.74Å | ||
| 94 | E | 30.9 | Very low | 47.7 | Very low | 179 Ų | 179 | 93.2 Ų | 93.2 | 84% | 0.836 | 53% | 0.533 | S | S | * | . | trans | -64.5 | 76 | 161.3 | -80.3 | -172 | 147.2 | 0 | 0 | 108.8 | A92 | A92-E94 PolarHBondContact O-N 2.81Š| ||
| 95 | F | 30.5 | Very low | 48.2 | Very low | 179 Ų | 179 | 92.1 Ų | 92.1 | 79% | 0.785 | 52% | 0.524 | S | S | * | . | trans | -145.7 | 92.4 | 162.9 | -92.5 | -79.2 | 0 | 0 | 0 | 108.8 | Y93 | Y93-F95 PolarHBondContact O-N 2.74Š| ||
| 96 | T | 28.1 | Very low | 49 | Very low | 96 Ų | 96 | 92.9 Ų | 92.9 | 59% | 0.589 | 51% | 0.507 | S | S | * | . | 150 | 133 | 120.8 | 52.9 | 0 | 0 | 0 | 0 | 110.4 | L98 T99 | T96-L98 PolarHBondContact O-N 2.92Å; T96-T99 PolarHBondContact OG1-OG1 2.7Å | |||
| 97 | T | 30.2 | Very low | 50.4 | Low | 142 Ų | 142 | 91.4 Ų | 91.4 | 87% | 0.871 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | 10.1 | -170.7 | 38.6 | 0 | 0 | 0 | 0 | 115.1 | ||
| 98 | L | 38.2 | Very low | 51.9 | Low | 134 Ų | 134 | 91.6 Ų | 91.6 | 70% | 0.702 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -143.1 | 2.5 | -165.3 | -73.2 | 167.7 | 0 | 0 | 0 | 116 | T96 | T96-L98 PolarHBondContact O-N 2.92Š|
| 99 | T | 36.1 | Very low | 53.5 | Low | 61 Ų | 61 | 90.1 Ų | 90.1 | 37% | 0.374 | 49% | 0.489 | S | S | . | . | S | Bend | trans | -132.2 | 142 | 179.6 | 58.4 | 0 | 0 | 0 | 0 | 111.8 | F56 T96 V101 | F56-T99 HydrophobicContact CD2-CG2 3.98Å; F56-T99 HydrophobicContact CE2-CG2 3.49Å; F56-T99 VanDerWaalsContact CE2-CG2 3.49Å; F56-T99 HydrophobicContact CZ-CG2 3.93Å; T96-T99 PolarHBondContact OG1-OG1 2.7Å; T99-V101 PolarHBondContact O-N 2.65Å |
| 100 | T | 46.4 | Very low | 55.6 | Low | 22 Ų | 22 | 83.8 Ų | 83.8 | 14% | 0.135 | 46% | 0.46 | C | S | . | . | trans | -41.4 | 125.7 | 173.8 | 48 | 0 | 0 | 0 | 0 | 112.2 | F56 P102 D116 P118 | F56-T100 HydrophobicContact CZ-CG2 4.39Å; T100-P102 WeakPolarHBondContact O-CD 3.48Å; T100-D116 HydrophobicContact CG2-CB 4.07Å; T100-D116 WeakPolarHBondContact CG2-O 3.38Å; T100-P118 HydrophobicContact CG2-CG 3.34Å | ||
| 101 | V | 49.4 | Very low | 58.1 | Low | 125 Ų | 125 | 81.9 Ų | 81.9 | 76% | 0.758 | 44% | 0.44 | S | S | * | . | trans | -62 | 107.6 | 179.3 | -177.5 | 0 | 0 | 0 | 0 | 108.8 | T99 G103 | T99-V101 PolarHBondContact O-N 2.65Å; V101-G103 PolarHBondContact O-N 3.42Å | ||
| 102 | P | 60.7 | Low | 60.8 | Low | 58 Ų | 58 | 80 Ų | 80 | 38% | 0.377 | 42% | 0.424 | S | S | . | . | trans | -79.5 | 115.2 | 175.8 | 28.3 | -20.3 | 0 | 0 | 0 | 108.2 | T100 L114 L115 | T100-P102 WeakPolarHBondContact O-CD 3.48Å; P102-L114 WeakPolarHBondContact CA-O 3.47Å; P102-L115 HydrophobicContact CB-CD2 4.22Å | ||
| 103 | G | 72.3 | Confident | 63.4 | Low | 12 Ų | 12 | 75.4 Ų | 75.4 | 12% | 0.124 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 140.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | V101 L114 | V101-G103 PolarHBondContact O-N 3.42Å; G103-L114 PolarHBondContact N-O 2.97Å; G103-L114 VanDerWaalsContact N-O 3.17Å; G103-L114 WeakPolarHBondContact O-CA 3.5Å; G103-L114 WeakPolarHBondContact O-CB 3.15Å; G103-L114 PolarHBondContact O-N 2.65Å |
| 104 | V | 83.1 | Confident | 65.8 | Low | 51 Ų | 51 | 65.9 Ų | 65.9 | 31% | 0.309 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 121.9 | 168.8 | -177.9 | 0 | 0 | 0 | 0 | 108.2 | S88 K111 I112 | S88-V104 WeakPolarHBondContact CB-O 3.26Å; S88-V104 PolarHBondContact OG-O 3.45Å; V104-K111 HydrophobicContact CG1-CB 4.33Å; V104-I112 WeakPolarHBondContact CA-O 3.49Å |
| 105 | I | 87.4 | Confident | 68.4 | Low | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 150.2 | 175.3 | 64.7 | 171.9 | 0 | 0 | 0 | 109.9 | L83 Y87 I112 L114 L281 | L83-I105 WeakPolarHBondContact O-CG2 3.07Å; Y87-I105 WeakPolarHBondContact O-CA 3.49Å; I105-I112 HydrophobicContact CD1-CB 4.42Å; I105-I112 HydrophobicContact CG1-CB 3.86Å; I105-I112 PolarHBondContact N-O 3.23Å; I105-I112 PolarHBondContact O-N 3.24Å; I105-L114 HydrophobicContact CD1-CD1 4.35Å; I105-L114 HydrophobicContact CD1-CD2 4.06Å; I105-L114 HydrophobicContact CG1-CD1 4.45Å; I105-L114 HydrophobicContact CG1-CD2 4.26Å; I105-L114 HydrophobicContact CG1-CG 4.38Å; I105-L114 HydrophobicContact CG2-CD1 3.76Å; I105-L114 HydrophobicContact CG2-CG 4.38Å; I105-L281 HydrophobicContact CD1-CD2 3.75Å |
| 106 | R | 86.6 | Confident | 70.8 | Confident | 80 Ų | 80 | 50 Ų | 50 | 30% | 0.302 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 120.1 | 167.4 | -171 | -172.8 | -71.8 | -103.2 | 18.3 | 108.8 | Y87 E89 G109 A110 | Y87-R106 PolarHBondContact O-N 3.22Å; E89-R106 WeakPolarHBondContact OE2-CD 3.46Å; E89-R106 IonicContact OE2-CZ 2.7Å; E89-R106 IonicContact OE2-NE 2.65Å; E89-R106 PolarHBondContact OE2-NE 3.27Å; E89-R106 IonicContact OE2-NH2 3.05Å; E89-R106 PolarHBondContact OE2-NH2 3.41Å; R106-G109 PolarHBondContact NH1-O 2.93Å; R106-G109 VanDerWaalsContact NH1-O 3.15Å; R106-A110 VanDerWaalsContact CA-O 3.32Å; R106-A110 WeakPolarHBondContact CA-O 3.41Å |
| 107 | Y | 88.4 | Confident | 73.2 | Confident | 42 Ų | 42 | 45.7 Ų | 45.7 | 17% | 0.165 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 127.9 | 176.9 | -170.4 | -99.6 | 0 | 0 | 0 | 109.6 | G109 A110 L281 W285 | Y107-G109 PolarHBondContact O-N 3.13Å; Y107-G109 VanDerWaalsContact O-N 3.12Å; Y107-A110 PolarHBondContact N-O 3.09Å; Y107-A110 PolarHBondContact O-N 2.92Å; Y107-L281 HydrophobicContact CD2-CB 4.16Å; Y107-L281 HydrophobicContact CD2-CD1 4.19Å; Y107-L281 HydrophobicContact CD2-CD2 4.45Å; Y107-L281 HydrophobicContact CE2-CB 3.71Å; Y107-L281 HydrophobicContact CE2-CD1 4.14Å; Y107-L281 HydrophobicContact CE2-CG 4.44Å; Y107-W285 HydrophobicContact CD1-CB 4.13Å; Y107-W285 HydrophobicContact CD1-CD2 4.25Å; Y107-W285 AromaticContact CD1-CE3 3.84Å; Y107-W285 HydrophobicContact CD1-CE3 3.84Å; Y107-W285 HydrophobicContact CD1-CG 4.4Å; Y107-W285 HydrophobicContact CE1-CB 3.75Å; Y107-W285 HydrophobicContact CE1-CD2 4.37Å; Y107-W285 HydrophobicContact CE1-CE3 4.41Å; Y107-W285 HydrophobicContact CE1-CG 4.11Å |
| 108 | K | 87.4 | Confident | 74.9 | Confident | 82 Ų | 82 | 41.9 Ų | 41.9 | 36% | 0.357 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.3 | 37.6 | -174.6 | -64.7 | -179.5 | 178.9 | 178.7 | 0 | 113.7 | A110 W285 R292 | K108-A110 VanDerWaalsContact C-N 3.27Å; K108-A110 PolarHBondContact O-N 3.41Å; K108-W285 HydrophobicContact CB-CD2 4.41Å; K108-W285 HydrophobicContact CB-CE3 4.28Å; K108-W285 HydrophobicContact CB-CH2 4.01Å; K108-W285 HydrophobicContact CB-CZ2 4.16Å; K108-W285 HydrophobicContact CB-CZ3 4.07Å; K108-W285 HydrophobicContact CD-CD2 3.81Å; K108-W285 HydrophobicContact CD-CE3 4.44Å; K108-W285 HydrophobicContact CD-CG 3.97Å; K108-W285 HydrophobicContact CD-CZ2 4.3Å; K108-R292 WeakPolarHBondContact O-CD 3.38Å |
| 109 | G | 84.1 | Confident | 75.9 | Confident | 19 Ų | 19 | 37.1 Ų | 37.1 | 20% | 0.196 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.2 | -17.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | R106 Y107 | R106-G109 PolarHBondContact NH1-O 2.93Å; R106-G109 VanDerWaalsContact NH1-O 3.15Å; Y107-G109 PolarHBondContact O-N 3.13Å; Y107-G109 VanDerWaalsContact O-N 3.12Å |
| 110 | A | 87.5 | Confident | 77.2 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 145.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | R106 Y107 K108 W285 L290 V309 | R106-A110 VanDerWaalsContact CA-O 3.32Å; R106-A110 WeakPolarHBondContact CA-O 3.41Å; Y107-A110 PolarHBondContact N-O 3.09Å; Y107-A110 PolarHBondContact O-N 2.92Å; K108-A110 VanDerWaalsContact C-N 3.27Å; K108-A110 PolarHBondContact O-N 3.41Å; A110-W285 HydrophobicContact CB-CH2 4.06Å; A110-W285 HydrophobicContact CB-CZ3 3.67Å; A110-L290 HydrophobicContact CB-CD1 4.17Å; A110-V309 HydrophobicContact CB-CB 4.33Å; A110-V309 HydrophobicContact CB-CG1 4.05Å; A110-V309 HydrophobicContact CB-CG2 3.63Å |
| 111 | K | 88.2 | Confident | 77.8 | Confident | 96 Ų | 96 | 35 Ų | 35 | 42% | 0.417 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 116 | 174.2 | -66 | -179.4 | -177.1 | -178.7 | 0 | 109.6 | G62 D63 A64 V104 | G62-K111 CarbonylContact C-O 3.1Å; D63-K111 PolarHBondContact N-O 2.89Å; D63-K111 PolarHBondContact OD2-N 3.23Å; A64-K111 PolarHBondContact N-O 3Å; V104-K111 HydrophobicContact CG1-CB 4.33Å |
| 112 | I | 89.6 | Confident | 77.9 | Confident | 2 Ų | 2 | 35.4 Ų | 35.4 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 121 | -178.9 | -54.3 | 173.6 | 0 | 0 | 0 | 108.7 | A64 V66 V104 I105 L114 L288 | A64-I112 HydrophobicContact CB-CG2 4.48Å; V66-I112 HydrophobicContact CB-CG2 4.4Å; V66-I112 HydrophobicContact CG2-CG2 3.48Å; V66-I112 VanDerWaalsContact CG2-CG2 3.48Å; V104-I112 WeakPolarHBondContact CA-O 3.49Å; I105-I112 HydrophobicContact CD1-CB 4.42Å; I105-I112 HydrophobicContact CG1-CB 3.86Å; I105-I112 PolarHBondContact N-O 3.23Å; I105-I112 PolarHBondContact O-N 3.24Å; I112-L114 HydrophobicContact CG2-CD2 4.18Å; I112-L288 HydrophobicContact CD1-CD1 3.89Å; I112-L288 HydrophobicContact CG1-CD1 4.38Å; I112-L288 HydrophobicContact CG2-CD1 4.31Å |
| 113 | Q | 88 | Confident | 77.3 | Confident | 2 Ų | 2 | 34.1 Ų | 34.1 | 1% | 0.009 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 118.4 | 175.8 | -176.4 | 178.6 | 29.8 | 0 | 0 | 109.6 | A59 T61 A64 R65 V66 L115 | A59-Q113 PolarHBondContact O-NE2 3.47Å; T61-Q113 VanDerWaalsContact O-CB 3.31Å; T61-Q113 WeakPolarHBondContact O-CB 3.49Å; T61-Q113 PolarHBondContact O-OE1 2.96Å; T61-Q113 PolarHBondContact OG1-NE2 2.89Å; A64-Q113 PolarHBondContact O-N 2.67Å; R65-Q113 CarbonylContact C-O 3.59Å; R65-Q113 WeakPolarHBondContact CA-O 3.47Å; R65-Q113 HydrophobicContact CG-CB 4.26Å; R65-Q113 VanDerWaalsContact NE-OE1 3.12Å; V66-Q113 PolarHBondContact N-O 2.94Å; Q113-L115 HydrophobicContact CG-CD2 3.97Å; Q113-L115 HydrophobicContact CG-CG 4.16Å |
| 114 | L | 88.1 | Confident | 76 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 124.5 | 174.2 | -50.9 | -176.6 | 0 | 0 | 0 | 108.7 | V66 F68 L80 L83 P102 G103 I105 I112 M284 | V66-L114 HydrophobicContact CB-CD2 4.1Å; F68-L114 HydrophobicContact CE2-CB 3.94Å; F68-L114 HydrophobicContact CE2-CD1 4.48Å; F68-L114 HydrophobicContact CE2-CD2 3.96Å; F68-L114 HydrophobicContact CE2-CG 4.33Å; F68-L114 HydrophobicContact CZ-CD2 4.38Å; L80-L114 HydrophobicContact CD2-CB 4.14Å; L83-L114 HydrophobicContact CB-CD1 4.07Å; P102-L114 WeakPolarHBondContact CA-O 3.47Å; G103-L114 PolarHBondContact N-O 2.97Å; G103-L114 VanDerWaalsContact N-O 3.17Å; G103-L114 WeakPolarHBondContact O-CA 3.5Å; G103-L114 WeakPolarHBondContact O-CB 3.15Å; G103-L114 PolarHBondContact O-N 2.65Å; I105-L114 HydrophobicContact CD1-CD1 4.35Å; I105-L114 HydrophobicContact CD1-CD2 4.06Å; I105-L114 HydrophobicContact CG1-CD1 4.45Å; I105-L114 HydrophobicContact CG1-CD2 4.26Å; I105-L114 HydrophobicContact CG1-CG 4.38Å; I105-L114 HydrophobicContact CG2-CD1 3.76Å; I105-L114 HydrophobicContact CG2-CG 4.38Å; I112-L114 HydrophobicContact CG2-CD2 4.18Å; L114-M284 HydrophobicContact CD2-CE 4.21Å |
| 115 | L | 85.4 | Confident | 74.1 | Confident | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 124.9 | -177.4 | -63.4 | 169.2 | 0 | 0 | 0 | 108.9 | V58 R65 V66 G67 F68 P102 Q113 V137 | V58-L115 HydrophobicContact CG1-CD2 3.92Å; R65-L115 HydrophobicContact CB-CD1 4.07Å; R65-L115 HydrophobicContact CG-CD1 4.03Å; V66-L115 PolarHBondContact O-N 3.36Å; G67-L115 CarbonylContact C-O 3.59Å; G67-L115 WeakPolarHBondContact CA-O 3.36Å; F68-L115 PolarHBondContact N-O 2.81Å; P102-L115 HydrophobicContact CB-CD2 4.22Å; Q113-L115 HydrophobicContact CG-CD2 3.97Å; Q113-L115 HydrophobicContact CG-CG 4.16Å; L115-V137 HydrophobicContact CD1-CG1 3.81Å |
| 116 | D | 82.6 | Confident | 72.1 | Confident | 24 Ų | 24 | 46.1 Ų | 46.1 | 13% | 0.128 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 134.5 | 167.1 | -165.7 | 6.3 | 0 | 0 | 0 | 109.9 | K76 L80 T100 P118 | K76-D116 WeakPolarHBondContact CD-OD1 3.45Å; K76-D116 WeakPolarHBondContact CE-OD1 3.44Å; K76-D116 IonicContact NZ-OD1 2.71Å; K76-D116 PolarHBondContact NZ-OD1 3.07Å; K76-D116 IonicContact NZ-OD2 2.62Å; K76-D116 PolarHBondContact NZ-OD2 2.75Å; L80-D116 HydrophobicContact CD1-CB 3.67Å; T100-D116 HydrophobicContact CG2-CB 4.07Å; T100-D116 WeakPolarHBondContact CG2-O 3.38Å; D116-P118 WeakPolarHBondContact O-CD 3.38Å |
| 117 | L | 77.6 | Confident | 70.2 | Confident | 6 Ų | 6 | 45.3 Ų | 45.3 | 3% | 0.031 | 26% | 0.26 | C | S | . | . | trans | -114.3 | 70.3 | 179.3 | -59.2 | 172.5 | 0 | 0 | 0 | 110.8 | F68 V69 I120 V134 V137 A138 | F68-L117 WeakPolarHBondContact O-CB 3.46Å; F68-L117 PolarHBondContact O-N 2.83Å; V69-L117 HydrophobicContact CG2-CB 4.15Å; V69-L117 HydrophobicContact CG2-CD1 3.71Å; L117-I120 HydrophobicContact CB-CD1 3.87Å; L117-I120 HydrophobicContact CB-CG1 4.45Å; L117-I120 HydrophobicContact CD1-CD1 4.14Å; L117-V134 HydrophobicContact CB-CG1 4.06Å; L117-V134 HydrophobicContact CD2-CG1 4.26Å; L117-V137 HydrophobicContact CD2-CB 4.11Å; L117-V137 HydrophobicContact CD2-CG1 3.81Å; L117-A138 HydrophobicContact CD1-CB 3.76Å; L117-A138 HydrophobicContact CD2-CB 4.36Å | ||
| 118 | P | 65.9 | Low | 68.2 | Low | 61 Ų | 61 | 50.9 Ų | 50.9 | 40% | 0.396 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | 141.1 | 177.2 | 31.2 | -34.8 | 0 | 0 | 0 | 110.1 | T100 D116 V134 | T100-P118 HydrophobicContact CG2-CG 3.34Å; D116-P118 WeakPolarHBondContact O-CD 3.38Å; P118-V134 WeakPolarHBondContact O-CG1 3.43Å; P118-V134 VanDerWaalsContact O-CG2 3.27Å; P118-V134 WeakPolarHBondContact O-CG2 3.25Å |
| 119 | G | 59.8 | Low | 66.4 | Low | 35 Ų | 35 | 49.4 Ų | 49.4 | 36% | 0.361 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.2 | 1.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | I121 G123 | G119-I121 PolarHBondContact O-N 2.76Å; G119-G123 PolarHBondContact O-N 3.45Å |
| 120 | I | 62.3 | Low | 65.1 | Low | 4 Ų | 4 | 57.2 Ų | 57.2 | 2% | 0.021 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -28.5 | 165.2 | -63 | -176.6 | 0 | 0 | 0 | 110.8 | V69 L117 V134 A138 E163 L164 | V69-I120 HydrophobicContact CG1-CB 4.48Å; V69-I120 HydrophobicContact CG1-CD1 4.38Å; V69-I120 HydrophobicContact CG2-CD1 3.97Å; L117-I120 HydrophobicContact CB-CD1 3.87Å; L117-I120 HydrophobicContact CB-CG1 4.45Å; L117-I120 HydrophobicContact CD1-CD1 4.14Å; I120-V134 HydrophobicContact CD1-CG1 4.24Å; I120-V134 HydrophobicContact CG1-CG1 3.7Å; I120-A138 HydrophobicContact CD1-CB 4.11Å; I120-E163 HydrophobicContact CG2-CB 4Å; I120-L164 HydrophobicContact CD1-CD2 3.91Å; I120-L164 HydrophobicContact CG2-CD2 4.21Å; I120-L164 HydrophobicContact CG2-CG 4.47Å |
| 121 | I | 58.6 | Low | 63.8 | Low | 33 Ų | 33 | 57.9 Ų | 57.9 | 17% | 0.169 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100 | -32.3 | -164 | -58.3 | 176.5 | 0 | 0 | 0 | 113.7 | V69 G70 F71 G119 I160 | V69-I121 HydrophobicContact CG1-CD1 4.15Å; V69-I121 HydrophobicContact CG1-CG1 4.4Å; G70-I121 WeakPolarHBondContact O-CD1 3.32Å; F71-I121 HydrophobicContact CD1-CG2 3.48Å; F71-I121 VanDerWaalsContact CD1-CG2 3.48Å; F71-I121 HydrophobicContact CD2-CD1 3.88Å; F71-I121 HydrophobicContact CD2-CG2 3.83Å; F71-I121 HydrophobicContact CE1-CG2 3.07Å; F71-I121 HydrophobicContact CE2-CD1 4.2Å; F71-I121 HydrophobicContact CE2-CG2 3.43Å; F71-I121 VanDerWaalsContact CE2-CG2 3.43Å; F71-I121 HydrophobicContact CG-CD1 4.21Å; F71-I121 HydrophobicContact CG-CG2 3.86Å; F71-I121 HydrophobicContact CZ-CG2 3.04Å; G119-I121 PolarHBondContact O-N 2.76Å; I121-I160 HydrophobicContact CD1-CD1 3.78Å; I121-I160 HydrophobicContact CD1-CG1 3.65Å; I121-I160 HydrophobicContact CG1-CG1 3.97Å |
| 122 | E | 52 | Low | 62.6 | Low | 135 Ų | 135 | 59.4 Ų | 59.4 | 63% | 0.631 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.9 | -14.5 | -173 | -69.4 | 176.2 | 171.7 | 0 | 0 | 114 | ||
| 123 | G | 47.7 | Very low | 61.4 | Low | 30 Ų | 30 | 62.1 Ų | 62.1 | 31% | 0.309 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -116 | -4.9 | -166.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | G119 K125 | G119-G123 PolarHBondContact O-N 3.45Å; G123-K125 VanDerWaalsContact C-N 3.27Å; G123-K125 PolarHBondContact O-N 3.46Å |
| 124 | A | 44.9 | Very low | 60.6 | Low | 28 Ų | 28 | 62.7 Ų | 62.7 | 23% | 0.231 | 34% | 0.343 | C | S | . | . | G | 310 helix | trans | -72.9 | -20.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | F167 | A124-F167 HydrophobicContact CB-CZ 3.93Š|
| 125 | K | 43.9 | Very low | 59.9 | Low | 165 Ų | 165 | 63.3 Ų | 63.3 | 72% | 0.717 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -76.4 | -23.4 | 179.9 | -72.8 | -176.7 | 176.8 | 177.6 | 0 | 114 | G123 G127 | G123-K125 VanDerWaalsContact C-N 3.27Å; G123-K125 PolarHBondContact O-N 3.46Å; K125-G127 PolarHBondContact O-N 3.2Å |
| 126 | D | 46 | Very low | 59.4 | Low | 123 Ų | 123 | 66 Ų | 66 | 66% | 0.658 | 37% | 0.369 | S | S | * | . | G | 310 helix | trans | -86 | 1.8 | -170 | -88.5 | -1.3 | 0 | 0 | 0 | 115.5 | K128 | D126-K128 PolarHBondContact O-N 3.26Š|
| 127 | G | 46.7 | Very low | 59.3 | Low | 63 Ų | 63 | 65.3 Ų | 65.3 | 65% | 0.649 | 37% | 0.365 | S | S | * | . | trans | 62.6 | -3.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | K125 G129 | K125-G127 PolarHBondContact O-N 3.2Å; G127-G129 PolarHBondContact O-N 3.48Å | ||
| 128 | K | 46.8 | Very low | 59.6 | Low | 159 Ų | 159 | 65.1 Ų | 65.1 | 69% | 0.691 | 36% | 0.364 | S | S | * | . | trans | -68.2 | 120.2 | 169.5 | -66.1 | -179.5 | -177.1 | 173 | 0 | 106.4 | D126 R130 G131 | D126-K128 PolarHBondContact O-N 3.26Å; K128-R130 PolarHBondContact O-N 3.16Å; K128-G131 PolarHBondContact O-N 2.86Å | ||
| 129 | G | 49 | Very low | 60.5 | Low | 52 Ų | 52 | 64.5 Ų | 64.5 | 54% | 0.536 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -3.1 | -165.3 | 0 | 0 | 0 | 0 | 0 | 118.9 | G127 | G127-G129 PolarHBondContact O-N 3.48Š|
| 130 | R | 56.1 | Low | 61.7 | Low | 183 Ų | 183 | 65.8 Ų | 65.8 | 69% | 0.691 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -68.4 | -32.2 | 177 | -61.6 | -177.2 | 178.1 | 179.5 | -2.3 | 113.7 | K128 R132 Q133 V134 | K128-R130 PolarHBondContact O-N 3.16Å; R130-R132 PolarHBondContact O-N 2.63Å; R130-Q133 WeakPolarHBondContact O-CB 3.4Å; R130-Q133 PolarHBondContact O-N 3.17Å; R130-V134 PolarHBondContact O-N 2.93Å |
| 131 | G | 60.3 | Low | 62.9 | Low | 13 Ų | 13 | 65.9 Ų | 65.9 | 13% | 0.134 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.5 | -41.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113 | K128 Q133 V134 I135 | K128-G131 PolarHBondContact O-N 2.86Å; G131-Q133 VanDerWaalsContact C-N 3.28Å; G131-Q133 PolarHBondContact O-N 3.37Å; G131-V134 PolarHBondContact O-N 3.15Å; G131-I135 VanDerWaalsContact O-CD1 3.24Å; G131-I135 WeakPolarHBondContact O-CD1 3.4Å; G131-I135 VanDerWaalsContact O-CG1 3.3Å; G131-I135 WeakPolarHBondContact O-CG1 3.39Å; G131-I135 PolarHBondContact O-N 2.97Å |
| 132 | R | 63.5 | Low | 64.5 | Low | 128 Ų | 128 | 66.8 Ų | 66.8 | 48% | 0.483 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.6 | -36.1 | 178.3 | -71.4 | -176.8 | 175 | 171.5 | -2.3 | 113.1 | L41 R130 A136 | L41-R132 WeakPolarHBondContact O-CD 3.36Å; L41-R132 PolarHBondContact O-NE 3.38Å; R130-R132 PolarHBondContact O-N 2.63Å; R132-A136 PolarHBondContact O-N 3.2Å; R132-A136 VanDerWaalsContact O-N 3.13Å |
| 133 | Q | 64 | Low | 66.5 | Low | 59 Ų | 59 | 60.4 Ų | 60.4 | 28% | 0.276 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -66.8 | -46.1 | -179.6 | -78.7 | 171.2 | -13 | 0 | 0 | 111.6 | E54 F56 R130 G131 I135 A136 V137 | E54-Q133 PolarHBondContact O-NE2 3.21Å; F56-Q133 HydrophobicContact CB-CB 3.56Å; F56-Q133 HydrophobicContact CB-CG 3.72Å; F56-Q133 HydrophobicContact CG-CB 4.16Å; R130-Q133 WeakPolarHBondContact O-CB 3.4Å; R130-Q133 PolarHBondContact O-N 3.17Å; G131-Q133 VanDerWaalsContact C-N 3.28Å; G131-Q133 PolarHBondContact O-N 3.37Å; Q133-I135 VanDerWaalsContact C-N 3.27Å; Q133-I135 PolarHBondContact O-N 3.33Å; Q133-A136 WeakPolarHBondContact O-CB 3.25Å; Q133-A136 PolarHBondContact O-N 3.21Å; Q133-V137 PolarHBondContact O-N 3.21Å; Q133-V137 VanDerWaalsContact O-N 3.15Å |
| 134 | V | 70.4 | Confident | 68.7 | Low | 14 Ų | 14 | 59 Ų | 59 | 9% | 0.085 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.7 | -38.5 | 177.9 | 179.2 | 0 | 0 | 0 | 0 | 111.2 | L117 P118 I120 R130 G131 V137 A138 | L117-V134 HydrophobicContact CB-CG1 4.06Å; L117-V134 HydrophobicContact CD2-CG1 4.26Å; P118-V134 WeakPolarHBondContact O-CG1 3.43Å; P118-V134 VanDerWaalsContact O-CG2 3.27Å; P118-V134 WeakPolarHBondContact O-CG2 3.25Å; I120-V134 HydrophobicContact CD1-CG1 4.24Å; I120-V134 HydrophobicContact CG1-CG1 3.7Å; R130-V134 PolarHBondContact O-N 2.93Å; G131-V134 PolarHBondContact O-N 3.15Å; V134-V137 PolarHBondContact O-N 3.03Å; V134-A138 PolarHBondContact O-N 3.43Å |
| 135 | I | 73.6 | Confident | 71.1 | Confident | 14 Ų | 14 | 57.6 Ų | 57.6 | 7% | 0.072 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64 | -43.6 | 176.8 | -65.3 | 156.1 | 0 | 0 | 0 | 111.4 | G131 Q133 V137 A138 R139 F167 | G131-I135 VanDerWaalsContact O-CD1 3.24Å; G131-I135 WeakPolarHBondContact O-CD1 3.4Å; G131-I135 VanDerWaalsContact O-CG1 3.3Å; G131-I135 WeakPolarHBondContact O-CG1 3.39Å; G131-I135 PolarHBondContact O-N 2.97Å; Q133-I135 VanDerWaalsContact C-N 3.27Å; Q133-I135 PolarHBondContact O-N 3.33Å; I135-V137 VanDerWaalsContact C-N 3.29Å; I135-V137 PolarHBondContact O-N 3.01Å; I135-A138 PolarHBondContact O-N 3.14Å; I135-R139 WeakPolarHBondContact O-CG 3.24Å; I135-R139 PolarHBondContact O-N 2.76Å; I135-R139 VanDerWaalsContact O-N 3.07Å; I135-F167 HydrophobicContact CB-CD1 4.5Å; I135-F167 HydrophobicContact CB-CG 4.37Å; I135-F167 HydrophobicContact CD1-CD1 3.36Å; I135-F167 HydrophobicContact CD1-CD2 4.06Å; I135-F167 HydrophobicContact CD1-CE1 3.15Å; I135-F167 HydrophobicContact CD1-CE2 3.89Å; I135-F167 HydrophobicContact CD1-CG 3.84Å; I135-F167 HydrophobicContact CD1-CZ 3.45Å; I135-F167 VanDerWaalsContact CD1-CZ 3.45Å; I135-F167 HydrophobicContact CG1-CD1 3.83Å; I135-F167 HydrophobicContact CG1-CD2 3.78Å; I135-F167 HydrophobicContact CG1-CE1 3.98Å; I135-F167 HydrophobicContact CG1-CE2 3.92Å; I135-F167 HydrophobicContact CG1-CG 3.75Å; I135-F167 HydrophobicContact CG1-CZ 4.03Å; I135-F167 HydrophobicContact CG2-CB 3.6Å; I135-F167 HydrophobicContact CG2-CD1 3.9Å; I135-F167 HydrophobicContact CG2-CD2 4.41Å; I135-F167 HydrophobicContact CG2-CG 3.69Å |
| 136 | A | 76.1 | Confident | 73.5 | Confident | 57 Ų | 57 | 49.8 Ų | 49.8 | 47% | 0.471 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59.6 | -43.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | R132 Q133 R139 T140 | R132-A136 PolarHBondContact O-N 3.2Å; R132-A136 VanDerWaalsContact O-N 3.13Å; Q133-A136 WeakPolarHBondContact O-CB 3.25Å; Q133-A136 PolarHBondContact O-N 3.21Å; A136-R139 PolarHBondContact O-N 3.45Å; A136-T140 WeakPolarHBondContact O-CG2 3.49Å; A136-T140 PolarHBondContact O-N 2.83Å |
| 137 | V | 79.9 | Confident | 75.7 | Confident | 10 Ų | 10 | 43.9 Ų | 43.9 | 6% | 0.061 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.9 | -47.1 | 175.7 | -179.3 | 0 | 0 | 0 | 0 | 111.2 | F56 V58 L115 L117 Q133 V134 I135 R139 T140 C141 | F56-V137 HydrophobicContact CD1-CG2 3.84Å; F56-V137 HydrophobicContact CE1-CG2 4.38Å; F56-V137 WeakPolarHBondContact O-CG2 3.48Å; V58-V137 HydrophobicContact CG2-CG2 4.46Å; L115-V137 HydrophobicContact CD1-CG1 3.81Å; L117-V137 HydrophobicContact CD2-CB 4.11Å; L117-V137 HydrophobicContact CD2-CG1 3.81Å; Q133-V137 PolarHBondContact O-N 3.21Å; Q133-V137 VanDerWaalsContact O-N 3.15Å; V134-V137 PolarHBondContact O-N 3.03Å; I135-V137 VanDerWaalsContact C-N 3.29Å; I135-V137 PolarHBondContact O-N 3.01Å; V137-R139 PolarHBondContact O-N 2.95Å; V137-T140 PolarHBondContact O-N 3.01Å; V137-T140 PolarHBondContact O-OG1 2.7Å; V137-C141 PolarHBondContact O-N 2.78Å |
| 138 | A | 83.8 | Confident | 77.9 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.008 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -56 | -38.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L117 I120 V134 I135 T140 C141 I169 I240 | L117-A138 HydrophobicContact CD1-CB 3.76Å; L117-A138 HydrophobicContact CD2-CB 4.36Å; I120-A138 HydrophobicContact CD1-CB 4.11Å; V134-A138 PolarHBondContact O-N 3.43Å; I135-A138 PolarHBondContact O-N 3.14Å; A138-T140 PolarHBondContact O-N 3.37Å; A138-C141 WeakPolarHBondContact O-CB 3.36Å; A138-C141 PolarHBondContact O-N 2.87Å; A138-I169 HydrophobicContact CB-CD1 3.83Å; A138-I240 WeakPolarHBondContact O-CD1 3.39Å |
| 139 | R | 84.3 | Confident | 80.1 | Confident | 48 Ų | 48 | 34.5 Ų | 34.5 | 18% | 0.181 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -69.2 | -16.7 | 176.9 | -70.9 | -175.8 | 63.8 | -171 | -2.7 | 114.3 | I42 I135 A136 V137 I169 N236 V238 | I42-R139 VanDerWaalsContact CG2-NH1 3.29Å; I135-R139 WeakPolarHBondContact O-CG 3.24Å; I135-R139 PolarHBondContact O-N 2.76Å; I135-R139 VanDerWaalsContact O-N 3.07Å; A136-R139 PolarHBondContact O-N 3.45Å; V137-R139 PolarHBondContact O-N 2.95Å; R139-I169 HydrophobicContact CG-CD1 4Å; R139-I169 HydrophobicContact CG-CG1 3.86Å; R139-N236 PolarHBondContact NH2-O 2.81Å; R139-N236 PolarHBondContact NH2-OD1 3.37Å; R139-V238 HydrophobicContact CB-CG2 4.3Å; R139-V238 HydrophobicContact CG-CG2 4.49Å |
| 140 | T | 85.1 | Confident | 82.1 | Confident | 63 Ų | 63 | 32.9 Ų | 32.9 | 39% | 0.387 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -5.4 | 176.5 | 69.4 | 0 | 0 | 0 | 0 | 113.5 | R65 A136 V137 A138 | R65-T140 VanDerWaalsContact NH1-CB 3.27Å; R65-T140 PolarHBondContact NH1-OG1 2.69Å; A136-T140 WeakPolarHBondContact O-CG2 3.49Å; A136-T140 PolarHBondContact O-N 2.83Å; V137-T140 PolarHBondContact O-N 3.01Å; V137-T140 PolarHBondContact O-OG1 2.7Å; A138-T140 PolarHBondContact O-N 3.37Å |
| 141 | C | 89.1 | Confident | 83.7 | Confident | 6 Ų | 6 | 28.8 Ų | 28.8 | 4% | 0.041 | 15% | 0.153 | C | C | . | . | trans | -68.9 | 143 | 176.9 | -66.9 | 0 | 0 | 0 | 0 | 110.7 | V137 A138 I144 | V137-C141 PolarHBondContact O-N 2.78Å; A138-C141 WeakPolarHBondContact O-CB 3.36Å; A138-C141 PolarHBondContact O-N 2.87Å; C141-I144 HydrophobicContact CB-CG1 4.33Å | ||
| 142 | N | 91.4 | Very high | 85 | Confident | 52 Ų | 52 | 35.5 Ų | 35.5 | 28% | 0.278 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -83.6 | -25.8 | 172.7 | -63.4 | 100.6 | 0 | 0 | 0 | 111.6 | R65 P241 L288 | R65-N142 PolarHBondContact N-OD1 2.85Å; R65-N142 WeakPolarHBondContact O-CB 3.5Å; R65-N142 PolarHBondContact O-N 3.26Å; N142-P241 VanDerWaalsContact O-CD 3.28Å; N142-P241 WeakPolarHBondContact O-CD 3.45Å; N142-P241 WeakPolarHBondContact O-CG 3.44Å; N142-L288 HydrophobicContact CB-CD2 3.55Å |
| 143 | L | 94.1 | Very high | 86.2 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 143.6 | 179.1 | 174.8 | 64.3 | 0 | 0 | 0 | 109.3 | R65 V66 G67 L145 P241 I243 M284 Y287 L288 | R65-L143 PolarHBondContact O-N 3.12Å; V66-L143 CarbonylContact C-O 3.55Å; V66-L143 WeakPolarHBondContact CA-O 3.14Å; V66-L143 HydrophobicContact CG1-CB 4.46Å; V66-L143 HydrophobicContact CG1-CD2 4.31Å; V66-L143 HydrophobicContact CG1-CG 4.34Å; V66-L143 HydrophobicContact CG2-CB 4.26Å; V66-L143 HydrophobicContact CG2-CD2 4.34Å; G67-L143 PolarHBondContact N-O 3.37Å; L143-L145 HydrophobicContact CD2-CD2 4.2Å; L143-L145 HydrophobicContact CG-CD2 4.31Å; L143-P241 HydrophobicContact CD1-CB 4Å; L143-P241 HydrophobicContact CD1-CG 4.14Å; L143-P241 WeakPolarHBondContact CD1-O 3.46Å; L143-I243 HydrophobicContact CD1-CD1 4.19Å; L143-I243 HydrophobicContact CD1-CG1 4.14Å; L143-I243 HydrophobicContact CD2-CD1 4.06Å; L143-M284 HydrophobicContact CD2-CB 4Å; L143-M284 HydrophobicContact CD2-CG 3.84Å; L143-Y287 HydrophobicContact CD1-CD1 4.16Å; L143-Y287 HydrophobicContact CD1-CG 4.41Å; L143-L288 HydrophobicContact CB-CD2 3.69Å; L143-L288 HydrophobicContact CB-CG 4.32Å; L143-L288 HydrophobicContact CD2-CD2 4.44Å; L143-L288 HydrophobicContact CD2-CG 4.19Å |
| 144 | I | 94 | Very high | 87.5 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 132 | 172.2 | -66.5 | 171.1 | 0 | 0 | 0 | 109.6 | G67 V69 C141 I146 L164 I169 L171 I240 P241 C242 I243 | G67-I144 CarbonylContact O-C 3.55Å; G67-I144 WeakPolarHBondContact O-CA 3.48Å; V69-I144 HydrophobicContact CB-CG2 4.43Å; V69-I144 HydrophobicContact CG2-CG2 3.8Å; C141-I144 HydrophobicContact CB-CG1 4.33Å; I144-I146 HydrophobicContact CG2-CG1 4.03Å; I144-L164 HydrophobicContact CD1-CD2 4.47Å; I144-I169 HydrophobicContact CD1-CD1 4.35Å; I144-I169 HydrophobicContact CD1-CG2 4.06Å; I144-L171 HydrophobicContact CD1-CD2 4.05Å; I144-I240 HydrophobicContact CD1-CB 4.47Å; I144-I240 HydrophobicContact CD1-CD1 4.13Å; I144-I240 HydrophobicContact CD1-CG2 4.27Å; I144-I240 HydrophobicContact CG1-CG2 4.1Å; I144-P241 PolarHBondContact N-O 3.17Å; I144-C242 CarbonylContact O-C 3.5Å; I144-C242 VanDerWaalsContact O-CA 3.23Å; I144-C242 WeakPolarHBondContact O-CA 3.27Å; I144-I243 PolarHBondContact O-N 3.1Å |
| 145 | L | 94.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 114.3 | 170.5 | -58.7 | -176.8 | 0 | 0 | 0 | 108.6 | V66 G67 F68 V69 L143 I243 V245 L280 M284 | V66-L145 HydrophobicContact CG1-CD1 3.74Å; V66-L145 HydrophobicContact CG1-CD2 4.44Å; V66-L145 HydrophobicContact CG1-CG 3.65Å; G67-L145 PolarHBondContact O-N 2.88Å; F68-L145 HydrophobicContact CD1-CB 4.29Å; F68-L145 HydrophobicContact CD1-CD1 4.16Å; F68-L145 HydrophobicContact CE1-CD1 3.58Å; F68-L145 HydrophobicContact CE2-CD1 3.98Å; F68-L145 HydrophobicContact CZ-CD1 3.49Å; F68-L145 VanDerWaalsContact CZ-CD1 3.49Å; V69-L145 PolarHBondContact N-O 3Å; L143-L145 HydrophobicContact CD2-CD2 4.2Å; L143-L145 HydrophobicContact CG-CD2 4.31Å; L145-I243 WeakPolarHBondContact CA-O 3.29Å; L145-I243 HydrophobicContact CD2-CB 3.67Å; L145-I243 HydrophobicContact CD2-CD1 4.08Å; L145-I243 HydrophobicContact CD2-CG1 4.31Å; L145-I243 HydrophobicContact CD2-CG2 4.31Å; L145-V245 HydrophobicContact CB-CG2 4.17Å; L145-V245 HydrophobicContact CD2-CG2 4.32Å; L145-L280 HydrophobicContact CD2-CD1 4.49Å; L145-M284 HydrophobicContact CD1-CE 4.37Å; L145-M284 HydrophobicContact CD1-CG 4.4Å; L145-M284 HydrophobicContact CD1-SD 3.81Å; L145-M284 HydrophobicContact CD2-CG 4.11Å |
| 146 | I | 94.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 104.7 | 174.4 | -64.3 | 178.7 | 0 | 0 | 0 | 108 | V69 I144 L148 I160 L164 L171 C242 I243 Y244 V245 | V69-I146 CarbonylContact O-C 3.58Å; V69-I146 VanDerWaalsContact O-CA 3.32Å; V69-I146 WeakPolarHBondContact O-CA 3.48Å; I144-I146 HydrophobicContact CG2-CG1 4.03Å; I146-L148 HydrophobicContact CG2-CD1 4.31Å; I146-L148 HydrophobicContact CG2-CD2 3.79Å; I146-L148 HydrophobicContact CG2-CG 3.91Å; I146-I160 HydrophobicContact CD1-CG2 3.73Å; I146-I160 HydrophobicContact CG1-CG2 4.02Å; I146-I160 HydrophobicContact CG2-CD1 3.85Å; I146-I160 HydrophobicContact CG2-CG2 4.1Å; I146-L164 HydrophobicContact CD1-CD1 4.11Å; I146-L171 HydrophobicContact CD1-CD1 3.82Å; I146-C242 WeakPolarHBondContact CD1-SG 3.24Å; I146-C242 VanDerWaalsContact CG1-SG 3.56Å; I146-I243 PolarHBondContact N-O 2.98Å; I146-Y244 HydrophobicContact CB-CD1 3.99Å; I146-Y244 HydrophobicContact CB-CE1 4.32Å; I146-Y244 HydrophobicContact CD1-CD1 4.34Å; I146-Y244 HydrophobicContact CD1-CE1 3.79Å; I146-Y244 HydrophobicContact CG2-CD1 4.17Å; I146-Y244 HydrophobicContact CG2-CE1 4.46Å; I146-V245 PolarHBondContact O-N 3.38Å |
| 147 | V | 92.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 119.1 | 179.5 | -168 | 0 | 0 | 0 | 0 | 109.5 | F68 V69 V74 L79 V245 N247 | F68-V147 HydrophobicContact CD1-CG2 4.16Å; V69-V147 PolarHBondContact O-N 2.69Å; V74-V147 HydrophobicContact CB-CG1 4.43Å; V74-V147 HydrophobicContact CG2-CB 4.01Å; V74-V147 HydrophobicContact CG2-CG1 3.74Å; L79-V147 HydrophobicContact CD2-CG2 4.05Å; V147-V245 HydrophobicContact CG2-CB 4.44Å; V147-N247 HydrophobicContact CG1-CB 4.35Å |
| 148 | L | 93.4 | Very high | 90.3 | Very high | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 154.8 | -178.6 | -57.5 | 172.7 | 0 | 0 | 0 | 110 | I146 P153 H156 K157 I160 Y244 V245 L246 N247 | I146-L148 HydrophobicContact CG2-CD1 4.31Å; I146-L148 HydrophobicContact CG2-CD2 3.79Å; I146-L148 HydrophobicContact CG2-CG 3.91Å; L148-P153 HydrophobicContact CB-CB 4.2Å; L148-P153 HydrophobicContact CD1-CB 4.12Å; L148-H156 HydrophobicContact CD2-CB 3.78Å; L148-K157 HydrophobicContact CD1-CB 3.9Å; L148-K157 HydrophobicContact CD1-CG 4.45Å; L148-K157 HydrophobicContact CD2-CB 4.35Å; L148-I160 HydrophobicContact CD2-CD1 4.15Å; L148-Y244 HydrophobicContact CD1-CD1 4.17Å; L148-V245 PolarHBondContact N-O 3.38Å; L148-L246 HydrophobicContact CB-CD2 3.78Å; L148-L246 HydrophobicContact CD1-CD2 3.91Å; L148-L246 HydrophobicContact CG-CD2 4.41Å; L148-N247 PolarHBondContact O-N 3.03Å |
| 149 | D | 92.3 | Very high | 90.5 | Very high | 23 Ų | 23 | 50.5 Ų | 50.5 | 12% | 0.123 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 126.6 | 166.7 | -170.4 | -37.9 | 0 | 0 | 0 | 108.5 | V74 L151 K152 P153 K248 | V74-D149 HydrophobicContact CG1-CB 4.45Å; D149-L151 PolarHBondContact O-N 2.81Å; D149-L151 WeakPolarHBondContact OD1-CB 3.44Å; D149-L151 PolarHBondContact OD1-N 3.42Å; D149-K152 CarbonylContact O-C 3.56Å; D149-K152 PolarHBondContact O-N 2.7Å; D149-K152 VanDerWaalsContact O-N 3.14Å; D149-P153 WeakPolarHBondContact O-CA 3.47Å; D149-P153 WeakPolarHBondContact O-CD 3.44Å; D149-P153 VanDerWaalsContact O-N 3.12Å; D149-K248 WeakPolarHBondContact OD2-CD 3.43Å; D149-K248 WeakPolarHBondContact OD2-CE 3.3Å; D149-K248 IonicContact OD2-NZ 3.45Å; D149-K248 PolarHBondContact OD2-NZ 2.88Å |
| 150 | V | 91.6 | Very high | 90.7 | Very high | 18 Ų | 18 | 48.2 Ų | 48.2 | 11% | 0.109 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -25.1 | -178.1 | 72.2 | 0 | 0 | 0 | 0 | 113.2 | P153 L246 N247 K248 I252 I260 | V150-P153 VanDerWaalsContact O-CD 3.28Å; V150-P153 WeakPolarHBondContact O-CD 3.49Å; V150-L246 HydrophobicContact CB-CB 4.38Å; V150-L246 HydrophobicContact CG2-CB 4.39Å; V150-L246 HydrophobicContact CG2-CD1 4.38Å; V150-N247 WeakPolarHBondContact CB-O 3.42Å; V150-N247 WeakPolarHBondContact CG1-O 3.35Å; V150-N247 PolarHBondContact N-O 3.4Å; V150-K248 HydrophobicContact CG1-CB 4.42Å; V150-K248 WeakPolarHBondContact CG1-O 3.35Å; V150-I252 HydrophobicContact CG1-CG2 3.84Å; V150-I252 HydrophobicContact CG2-CD1 4.22Å; V150-I252 HydrophobicContact CG2-CG2 4.16Å; V150-I260 HydrophobicContact CG2-CD1 3.59Å |
| 151 | L | 89.3 | Confident | 91 | Very high | 96 Ų | 96 | 47.5 Ų | 47.5 | 50% | 0.503 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -27.8 | 178.4 | -64.4 | -173.6 | 0 | 0 | 0 | 113.5 | D149 | D149-L151 PolarHBondContact O-N 2.81Å; D149-L151 WeakPolarHBondContact OD1-CB 3.44Å; D149-L151 PolarHBondContact OD1-N 3.42Å |
| 152 | K | 88.9 | Confident | 90.8 | Very high | 155 Ų | 155 | 51.7 Ų | 51.7 | 67% | 0.674 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -138.6 | 52.2 | -177.1 | -61.1 | -178.3 | -176.1 | 174.7 | 0 | 112.7 | D149 | D149-K152 CarbonylContact O-C 3.56Å; D149-K152 PolarHBondContact O-N 2.7Å; D149-K152 VanDerWaalsContact O-N 3.14Å |
| 153 | P | 88.8 | Confident | 90.5 | Very high | 29 Ų | 29 | 51.4 Ų | 51.4 | 19% | 0.188 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -76.9 | -32 | -170 | 29.8 | -34.6 | 0 | 0 | 0 | 112.4 | L148 D149 V150 V155 K157 L246 | L148-P153 HydrophobicContact CB-CB 4.2Å; L148-P153 HydrophobicContact CD1-CB 4.12Å; D149-P153 WeakPolarHBondContact O-CA 3.47Å; D149-P153 WeakPolarHBondContact O-CD 3.44Å; D149-P153 VanDerWaalsContact O-N 3.12Å; V150-P153 VanDerWaalsContact O-CD 3.28Å; V150-P153 WeakPolarHBondContact O-CD 3.49Å; P153-V155 PolarHBondContact O-N 3.25Å; P153-K157 WeakPolarHBondContact O-CB 3.44Å; P153-K157 PolarHBondContact O-N 2.92Å; P153-L246 HydrophobicContact CB-CD2 3.97Å |
| 154 | L | 90.4 | Very high | 90.1 | Very high | 124 Ų | 124 | 51.4 Ų | 51.4 | 65% | 0.649 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -67.1 | -42.9 | -166.9 | -62 | 179 | 0 | 0 | 0 | 113.9 | K158 | L154-K158 WeakPolarHBondContact O-CG 3.44Å; L154-K158 PolarHBondContact O-N 3.48Å |
| 155 | V | 88.9 | Confident | 89.8 | Confident | 98 Ų | 98 | 54.6 Ų | 54.6 | 59% | 0.594 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -68.6 | -48.6 | -178.1 | 179.2 | 0 | 0 | 0 | 0 | 109.8 | P153 K157 K158 L159 | P153-V155 PolarHBondContact O-N 3.25Å; V155-K157 PolarHBondContact O-N 3.31Å; V155-K158 PolarHBondContact O-N 3.22Å; V155-L159 HydrophobicContact CG1-CD1 4.18Å; V155-L159 WeakPolarHBondContact O-CG 3.43Å; V155-L159 PolarHBondContact O-N 3.39Å |
| 156 | H | 88.8 | Confident | 89.2 | Confident | 48 Ų | 48 | 55 Ų | 55 | 22% | 0.222 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.2 | -41 | -179.8 | -68.3 | 179.2 | 0 | 0 | 0 | 111.9 | F71 L148 L159 I160 | F71-H156 HydrophobicContact CD2-CB 3.6Å; F71-H156 AromaticContact CD2-CD2 3.7Å; F71-H156 AromaticContact CD2-CG 3.38Å; F71-H156 AromaticContact CD2-ND1 3.69Å; F71-H156 HydrophobicContact CE2-CB 3.64Å; F71-H156 AromaticContact CE2-CD2 3.65Å; F71-H156 AromaticContact CE2-CG 3.62Å; F71-H156 AromaticContact CG-ND1 3.98Å; F71-H156 AromaticContact CZ-CD2 3.99Å; L148-H156 HydrophobicContact CD2-CB 3.78Å; H156-L159 PolarHBondContact O-N 3.07Å; H156-I160 WeakPolarHBondContact O-CB 3.3Å; H156-I160 VanDerWaalsContact O-CG1 3.24Å; H156-I160 WeakPolarHBondContact O-CG1 3.33Å; H156-I160 PolarHBondContact O-N 3.45Å |
| 157 | K | 91.8 | Very high | 88.5 | Confident | 60 Ų | 60 | 56.1 Ų | 56.1 | 26% | 0.261 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -55.3 | -53.7 | 175.1 | 177.8 | 175.6 | 174.3 | 174.3 | 0 | 111.5 | L148 P153 V155 L159 I160 E161 Y244 | L148-K157 HydrophobicContact CD1-CB 3.9Å; L148-K157 HydrophobicContact CD1-CG 4.45Å; L148-K157 HydrophobicContact CD2-CB 4.35Å; P153-K157 WeakPolarHBondContact O-CB 3.44Å; P153-K157 PolarHBondContact O-N 2.92Å; V155-K157 PolarHBondContact O-N 3.31Å; K157-L159 VanDerWaalsContact C-N 3.32Å; K157-L159 PolarHBondContact O-N 3.08Å; K157-I160 PolarHBondContact O-N 3.47Å; K157-E161 WeakPolarHBondContact CE-OE1 3.42Å; K157-E161 HydrophobicContact CG-CG 4.32Å; K157-E161 IonicContact NZ-OE1 2.76Å; K157-E161 WeakPolarHBondContact O-CB 3.27Å; K157-E161 WeakPolarHBondContact O-CG 3.48Å; K157-E161 PolarHBondContact O-N 3.32Å; K157-Y244 HydrophobicContact CD-CD1 4.37Å; K157-Y244 HydrophobicContact CD-CE1 4.11Å; K157-Y244 HydrophobicContact CG-CD1 4.5Å; K157-Y244 HydrophobicContact CG-CE1 4.06Å |
| 158 | K | 90.4 | Very high | 88.1 | Confident | 149 Ų | 149 | 56.2 Ų | 56.2 | 65% | 0.648 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -59.6 | -41.4 | -178.3 | -74.8 | 178.6 | 179.7 | -177.5 | 0 | 112.6 | L154 V155 H162 | L154-K158 WeakPolarHBondContact O-CG 3.44Å; L154-K158 PolarHBondContact O-N 3.48Å; V155-K158 PolarHBondContact O-N 3.22Å; K158-H162 VanDerWaalsContact O-CB 3.31Å; K158-H162 WeakPolarHBondContact O-CB 3.36Å; K158-H162 PolarHBondContact O-N 3.01Å |
| 159 | L | 87.3 | Confident | 87.9 | Confident | 90 Ų | 90 | 56.2 Ų | 56.2 | 47% | 0.471 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -66.3 | -45.5 | 178.7 | -69.4 | 173 | 0 | 0 | 0 | 111.5 | F71 V155 H156 K157 H162 E163 | F71-L159 HydrophobicContact CE2-CB 4.36Å; F71-L159 HydrophobicContact CE2-CD1 4.44Å; F71-L159 HydrophobicContact CZ-CB 4.19Å; F71-L159 HydrophobicContact CZ-CD1 3.73Å; V155-L159 HydrophobicContact CG1-CD1 4.18Å; V155-L159 WeakPolarHBondContact O-CG 3.43Å; V155-L159 PolarHBondContact O-N 3.39Å; H156-L159 PolarHBondContact O-N 3.07Å; K157-L159 VanDerWaalsContact C-N 3.32Å; K157-L159 PolarHBondContact O-N 3.08Å; L159-H162 PolarHBondContact O-N 3.27Å; L159-E163 WeakPolarHBondContact O-CG 3.19Å; L159-E163 PolarHBondContact O-N 3Å |
| 160 | I | 88.4 | Confident | 87.9 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.7 | -45 | 179.3 | -67.4 | 167.4 | 0 | 0 | 0 | 111.2 | V69 F71 I121 I146 L148 H156 K157 H162 E163 L164 | V69-I160 HydrophobicContact CB-CG2 4.39Å; V69-I160 HydrophobicContact CG1-CD1 4.45Å; V69-I160 HydrophobicContact CG1-CG1 4.38Å; V69-I160 HydrophobicContact CG1-CG2 3.59Å; F71-I160 HydrophobicContact CD2-CD1 4.11Å; F71-I160 HydrophobicContact CD2-CG1 4.43Å; F71-I160 HydrophobicContact CE2-CD1 4.22Å; F71-I160 HydrophobicContact CE2-CG1 4.1Å; I121-I160 HydrophobicContact CD1-CD1 3.78Å; I121-I160 HydrophobicContact CD1-CG1 3.65Å; I121-I160 HydrophobicContact CG1-CG1 3.97Å; I146-I160 HydrophobicContact CD1-CG2 3.73Å; I146-I160 HydrophobicContact CG1-CG2 4.02Å; I146-I160 HydrophobicContact CG2-CD1 3.85Å; I146-I160 HydrophobicContact CG2-CG2 4.1Å; L148-I160 HydrophobicContact CD2-CD1 4.15Å; H156-I160 WeakPolarHBondContact O-CB 3.3Å; H156-I160 VanDerWaalsContact O-CG1 3.24Å; H156-I160 WeakPolarHBondContact O-CG1 3.33Å; H156-I160 PolarHBondContact O-N 3.45Å; K157-I160 PolarHBondContact O-N 3.47Å; I160-H162 VanDerWaalsContact C-N 3.34Å; I160-H162 PolarHBondContact O-N 3.49Å; I160-E163 PolarHBondContact O-N 2.95Å; I160-L164 HydrophobicContact CG2-CD1 3.67Å; I160-L164 HydrophobicContact CG2-CG 4.32Å; I160-L164 WeakPolarHBondContact O-CB 3.41Å; I160-L164 VanDerWaalsContact O-CG 3.32Å; I160-L164 WeakPolarHBondContact O-CG 3.36Å; I160-L164 PolarHBondContact O-N 3.48Å |
| 161 | E | 90.2 | Very high | 88 | Confident | 48 Ų | 48 | 56 Ų | 56 | 22% | 0.224 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.6 | -46.5 | 175.9 | -74.3 | 174.5 | 162 | 0 | 0 | 111 | K157 E163 L164 E165 L171 Y244 | K157-E161 WeakPolarHBondContact CE-OE1 3.42Å; K157-E161 HydrophobicContact CG-CG 4.32Å; K157-E161 IonicContact NZ-OE1 2.76Å; K157-E161 WeakPolarHBondContact O-CB 3.27Å; K157-E161 WeakPolarHBondContact O-CG 3.48Å; K157-E161 PolarHBondContact O-N 3.32Å; E161-E163 PolarHBondContact O-N 3.47Å; E161-L164 PolarHBondContact O-N 3.29Å; E161-E165 WeakPolarHBondContact O-CB 3.22Å; E161-E165 WeakPolarHBondContact O-CG 3.37Å; E161-E165 PolarHBondContact O-N 3Å; E161-L171 HydrophobicContact CG-CD1 4.16Å; E161-Y244 PolarHBondContact OE1-OH 3.47Å |
| 162 | H | 86.5 | Confident | 88.2 | Confident | 93 Ų | 93 | 53.8 Ų | 53.8 | 43% | 0.431 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.4 | -44 | -179.5 | -173.1 | 79.8 | 0 | 0 | 0 | 112.8 | R38 K158 L159 I160 G166 | R38-H162 PolarHBondContact NH2-NE2 3.17Å; K158-H162 VanDerWaalsContact O-CB 3.31Å; K158-H162 WeakPolarHBondContact O-CB 3.36Å; K158-H162 PolarHBondContact O-N 3.01Å; L159-H162 PolarHBondContact O-N 3.27Å; I160-H162 VanDerWaalsContact C-N 3.34Å; I160-H162 PolarHBondContact O-N 3.49Å; H162-G166 PolarHBondContact O-N 3.33Å |
| 163 | E | 83.9 | Confident | 88.3 | Confident | 46 Ų | 46 | 50.9 Ų | 50.9 | 22% | 0.215 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.2 | -49.4 | 177.6 | -71.7 | -67.4 | 154.7 | 0 | 0 | 111 | I120 L159 I160 E161 E165 G166 F167 | I120-E163 HydrophobicContact CG2-CB 4Å; L159-E163 WeakPolarHBondContact O-CG 3.19Å; L159-E163 PolarHBondContact O-N 3Å; I160-E163 PolarHBondContact O-N 2.95Å; E161-E163 PolarHBondContact O-N 3.47Å; E163-E165 VanDerWaalsContact C-N 3.35Å; E163-E165 PolarHBondContact O-N 3.17Å; E163-G166 WeakPolarHBondContact O-CA 3.49Å; E163-G166 PolarHBondContact O-N 3.15Å; E163-F167 HydrophobicContact CB-CE2 4.25Å; E163-F167 WeakPolarHBondContact O-CD2 3.49Å; E163-F167 WeakPolarHBondContact O-CE2 3.49Å; E163-F167 PolarHBondContact O-N 3.13Å; E163-F167 VanDerWaalsContact O-N 3.09Å |
| 164 | L | 86.8 | Confident | 88.2 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.8 | -42.6 | 178.9 | -70.7 | 171.8 | 0 | 0 | 0 | 112.1 | I120 I144 I146 I160 E161 G166 F167 G168 I169 L171 | I120-L164 HydrophobicContact CD1-CD2 3.91Å; I120-L164 HydrophobicContact CG2-CD2 4.21Å; I120-L164 HydrophobicContact CG2-CG 4.47Å; I144-L164 HydrophobicContact CD1-CD2 4.47Å; I146-L164 HydrophobicContact CD1-CD1 4.11Å; I160-L164 HydrophobicContact CG2-CD1 3.67Å; I160-L164 HydrophobicContact CG2-CG 4.32Å; I160-L164 WeakPolarHBondContact O-CB 3.41Å; I160-L164 VanDerWaalsContact O-CG 3.32Å; I160-L164 WeakPolarHBondContact O-CG 3.36Å; I160-L164 PolarHBondContact O-N 3.48Å; E161-L164 PolarHBondContact O-N 3.29Å; L164-G166 VanDerWaalsContact C-N 3.3Å; L164-G166 PolarHBondContact O-N 3.18Å; L164-F167 PolarHBondContact O-N 3.27Å; L164-F167 VanDerWaalsContact O-N 3.16Å; L164-G168 PolarHBondContact O-N 3.26Å; L164-I169 HydrophobicContact CB-CB 4.43Å; L164-I169 HydrophobicContact CD2-CD1 3.88Å; L164-I169 WeakPolarHBondContact O-CB 3.47Å; L164-I169 PolarHBondContact O-N 3.45Å; L164-I169 VanDerWaalsContact O-N 3.07Å; L164-L171 HydrophobicContact CB-CD1 4.41Å; L164-L171 HydrophobicContact CD1-CD1 3.83Å; L164-L171 HydrophobicContact CD1-CD2 4.06Å; L164-L171 HydrophobicContact CD1-CG 4.44Å |
| 165 | E | 87.3 | Confident | 88.1 | Confident | 68 Ų | 68 | 54.9 Ų | 54.9 | 32% | 0.318 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.6 | -35.3 | 174.5 | -74.2 | -167.6 | 153.5 | 0 | 0 | 112.3 | E161 E163 F167 G168 I169 R170 K173 | E161-E165 WeakPolarHBondContact O-CB 3.22Å; E161-E165 WeakPolarHBondContact O-CG 3.37Å; E161-E165 PolarHBondContact O-N 3Å; E163-E165 VanDerWaalsContact C-N 3.35Å; E163-E165 PolarHBondContact O-N 3.17Å; E165-F167 PolarHBondContact O-N 3.42Å; E165-G168 PolarHBondContact O-N 3.4Å; E165-G168 VanDerWaalsContact O-N 3.08Å; E165-I169 WeakPolarHBondContact CA-O 3.4Å; E165-R170 PolarHBondContact O-NH1 2.89Å; E165-K173 IonicContact OE1-NZ 3.88Å; E165-K173 PolarHBondContact OE1-NZ 3.34Å |
| 166 | G | 81.4 | Confident | 88 | Confident | 8 Ų | 8 | 51.5 Ų | 51.5 | 8% | 0.082 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.7 | -29.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114 | R38 H162 E163 L164 G168 | R38-G166 WeakPolarHBondContact CD-O 3.16Å; H162-G166 PolarHBondContact O-N 3.33Å; E163-G166 WeakPolarHBondContact O-CA 3.49Å; E163-G166 PolarHBondContact O-N 3.15Å; L164-G166 VanDerWaalsContact C-N 3.3Å; L164-G166 PolarHBondContact O-N 3.18Å; G166-G168 VanDerWaalsContact C-N 3.28Å; G166-G168 PolarHBondContact O-N 3.16Å |
| 167 | F | 79.8 | Confident | 88 | Confident | 24 Ų | 24 | 53.5 Ų | 53.5 | 11% | 0.105 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | 8.5 | 174.9 | -59.7 | -53.2 | 0 | 0 | 0 | 114.5 | I42 A124 I135 E163 L164 E165 I169 | I42-F167 WeakPolarHBondContact CD1-O 3.41Å; A124-F167 HydrophobicContact CB-CZ 3.93Å; I135-F167 HydrophobicContact CB-CD1 4.5Å; I135-F167 HydrophobicContact CB-CG 4.37Å; I135-F167 HydrophobicContact CD1-CD1 3.36Å; I135-F167 HydrophobicContact CD1-CD2 4.06Å; I135-F167 HydrophobicContact CD1-CE1 3.15Å; I135-F167 HydrophobicContact CD1-CE2 3.89Å; I135-F167 HydrophobicContact CD1-CG 3.84Å; I135-F167 HydrophobicContact CD1-CZ 3.45Å; I135-F167 VanDerWaalsContact CD1-CZ 3.45Å; I135-F167 HydrophobicContact CG1-CD1 3.83Å; I135-F167 HydrophobicContact CG1-CD2 3.78Å; I135-F167 HydrophobicContact CG1-CE1 3.98Å; I135-F167 HydrophobicContact CG1-CE2 3.92Å; I135-F167 HydrophobicContact CG1-CG 3.75Å; I135-F167 HydrophobicContact CG1-CZ 4.03Å; I135-F167 HydrophobicContact CG2-CB 3.6Å; I135-F167 HydrophobicContact CG2-CD1 3.9Å; I135-F167 HydrophobicContact CG2-CD2 4.41Å; I135-F167 HydrophobicContact CG2-CG 3.69Å; E163-F167 HydrophobicContact CB-CE2 4.25Å; E163-F167 WeakPolarHBondContact O-CD2 3.49Å; E163-F167 WeakPolarHBondContact O-CE2 3.49Å; E163-F167 PolarHBondContact O-N 3.13Å; E163-F167 VanDerWaalsContact O-N 3.09Å; L164-F167 PolarHBondContact O-N 3.27Å; L164-F167 VanDerWaalsContact O-N 3.16Å; E165-F167 PolarHBondContact O-N 3.42Å; F167-I169 VanDerWaalsContact C-N 3.33Å |
| 168 | G | 84.4 | Confident | 87.8 | Confident | 2 Ų | 2 | 51.4 Ų | 51.4 | 2% | 0.021 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.1 | 19.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114 | L164 E165 G166 R237 V238 | L164-G168 PolarHBondContact O-N 3.26Å; E165-G168 PolarHBondContact O-N 3.4Å; E165-G168 VanDerWaalsContact O-N 3.08Å; G166-G168 VanDerWaalsContact C-N 3.28Å; G166-G168 PolarHBondContact O-N 3.16Å; G168-R237 WeakPolarHBondContact O-CA 3.35Å; G168-R237 VanDerWaalsContact O-CD 3.28Å; G168-R237 WeakPolarHBondContact O-CD 3.45Å; G168-V238 PolarHBondContact O-N 3.36Å |
| 169 | I | 89.6 | Confident | 87.7 | Confident | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 136.1 | 167.5 | -60.3 | 170.4 | 0 | 0 | 0 | 107.7 | A138 R139 I144 L164 E165 F167 L171 V238 I240 | A138-I169 HydrophobicContact CB-CD1 3.83Å; R139-I169 HydrophobicContact CG-CD1 4Å; R139-I169 HydrophobicContact CG-CG1 3.86Å; I144-I169 HydrophobicContact CD1-CD1 4.35Å; I144-I169 HydrophobicContact CD1-CG2 4.06Å; L164-I169 HydrophobicContact CB-CB 4.43Å; L164-I169 HydrophobicContact CD2-CD1 3.88Å; L164-I169 WeakPolarHBondContact O-CB 3.47Å; L164-I169 PolarHBondContact O-N 3.45Å; L164-I169 VanDerWaalsContact O-N 3.07Å; E165-I169 WeakPolarHBondContact CA-O 3.4Å; F167-I169 VanDerWaalsContact C-N 3.33Å; I169-L171 HydrophobicContact CG2-CD2 3.93Å; I169-V238 CarbonylContact C-O 3.58Å; I169-V238 WeakPolarHBondContact CA-O 3.37Å; I169-I240 HydrophobicContact CG1-CD1 4.4Å; I169-I240 HydrophobicContact CG2-CB 4.29Å; I169-I240 HydrophobicContact CG2-CD1 3.9Å; I169-I240 HydrophobicContact CG2-CG1 4.14Å |
| 170 | R | 92.4 | Very high | 87.9 | Confident | 22 Ų | 22 | 43.4 Ų | 43.4 | 8% | 0.083 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 110.4 | 175.6 | -65 | -65.4 | 177 | -100.3 | 4.9 | 108.2 | E165 K173 D231 R237 V238 Y239 I240 | E165-R170 PolarHBondContact O-NH1 2.89Å; R170-K173 HydrophobicContact CB-CB 4.23Å; R170-K173 HydrophobicContact CB-CD 4.34Å; R170-D231 IonicContact CZ-OD1 2.82Å; R170-D231 IonicContact CZ-OD2 3.15Å; R170-D231 IonicContact NE-OD1 2.79Å; R170-D231 IonicContact NE-OD2 2.77Å; R170-D231 PolarHBondContact NE-OD2 3.38Å; R170-D231 IonicContact NH2-OD1 2.74Å; R170-D231 PolarHBondContact NH2-OD1 3.25Å; R170-D231 IonicContact NH2-OD2 3.51Å; R170-D231 PolarHBondContact NH2-OD2 3.46Å; R170-R237 VanDerWaalsContact NH2-NE 3.18Å; R170-V238 PolarHBondContact N-O 3.27Å; R170-Y239 HydrophobicContact CB-CD1 3.58Å; R170-Y239 HydrophobicContact CB-CE1 3.79Å; R170-Y239 HydrophobicContact CB-CG 4.29Å; R170-Y239 HydrophobicContact CG-CD1 4.18Å; R170-Y239 HydrophobicContact CG-CE1 3.89Å; R170-Y239 WeakPolarHBondContact O-CA 3.06Å; R170-I240 PolarHBondContact O-N 3.2Å |
| 171 | L | 93.1 | Very high | 88 | Confident | 14 Ų | 14 | 50.3 Ų | 50.3 | 7% | 0.073 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 129.4 | -175.4 | -57 | 168.9 | 0 | 0 | 0 | 110.2 | I144 I146 E161 L164 I169 K173 I240 C242 | I144-L171 HydrophobicContact CD1-CD2 4.05Å; I146-L171 HydrophobicContact CD1-CD1 3.82Å; E161-L171 HydrophobicContact CG-CD1 4.16Å; L164-L171 HydrophobicContact CB-CD1 4.41Å; L164-L171 HydrophobicContact CD1-CD1 3.83Å; L164-L171 HydrophobicContact CD1-CD2 4.06Å; L164-L171 HydrophobicContact CD1-CG 4.44Å; I169-L171 HydrophobicContact CG2-CD2 3.93Å; L171-K173 PolarHBondContact O-N 3.47Å; L171-I240 WeakPolarHBondContact CA-O 3.3Å; L171-C242 HydrophobicContact CB-CB 3.94Å; L171-C242 HydrophobicContact CD2-CB 3.78Å; L171-C242 HydrophobicContact CG-CB 4.32Å |
| 172 | N | 92.9 | Very high | 88 | Confident | 51 Ų | 51 | 54.2 Ų | 54.2 | 27% | 0.273 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.3 | 22.6 | 175.7 | -65 | -32.3 | 0 | 0 | 0 | 115.4 | I240 C242 | N172-I240 PolarHBondContact N-O 3.47Å; N172-I240 VanDerWaalsContact N-O 3.14Å; N172-C242 PolarHBondContact ND2-O 3.34Å; N172-C242 PolarHBondContact OD1-N 3.18Å; N172-C242 PolarHBondContact OD1-O 2.76Å |
| 173 | K | 90.7 | Very high | 88.2 | Confident | 94 Ų | 94 | 53.7 Ų | 53.7 | 41% | 0.409 | 27% | 0.265 | S | S | . | . | trans | -107.3 | 149.7 | 177.2 | -71.8 | 171.7 | -179.6 | 172.6 | 0 | 109.7 | E165 R170 L171 Y239 | E165-K173 IonicContact OE1-NZ 3.88Å; E165-K173 PolarHBondContact OE1-NZ 3.34Å; R170-K173 HydrophobicContact CB-CB 4.23Å; R170-K173 HydrophobicContact CB-CD 4.34Å; L171-K173 PolarHBondContact O-N 3.47Å; K173-Y239 HydrophobicContact CB-CD1 4.16Å; K173-Y239 HydrophobicContact CB-CE1 4.45Å; K173-Y239 WeakPolarHBondContact O-CD1 3.36Å | ||
| 174 | Q | 87.6 | Confident | 88.4 | Confident | 158 Ų | 158 | 58.9 Ų | 58.9 | 74% | 0.738 | 29% | 0.294 | S | S | * | . | P | Polyproline II helix | trans | -94.6 | 153.3 | 168.5 | -67.1 | -63.1 | -22.8 | 0 | 0 | 109.9 | ||
| 175 | P | 87.8 | Confident | 88.4 | Confident | 79 Ų | 79 | 67.5 Ų | 67.5 | 51% | 0.513 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -53.8 | 127.8 | 171.2 | -24.1 | 33.3 | 0 | 0 | 0 | 110.7 | Y239 | P175-Y239 HydrophobicContact CB-CD2 4.46Å; P175-Y239 HydrophobicContact CB-CE2 4.13Å; P175-Y239 HydrophobicContact CG-CD2 3.83Å; P175-Y239 HydrophobicContact CG-CE2 4Å; P175-Y239 HydrophobicContact CG-CG 4.12Å |
| 176 | P | 87.1 | Confident | 88.3 | Confident | 27 Ų | 27 | 67 Ų | 67 | 18% | 0.175 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 141.1 | -177.2 | 28.8 | -35.4 | 0 | 0 | 0 | 110.3 | I178 D228 V232 Y239 | P176-I178 VanDerWaalsContact C-N 3.25Å; P176-I178 HydrophobicContact CB-CD1 4.08Å; P176-I178 HydrophobicContact CB-CG1 4.2Å; P176-I178 HydrophobicContact CG-CD1 4.13Å; P176-I178 PolarHBondContact O-N 2.9Å; P176-D228 HydrophobicContact CB-CB 4.01Å; P176-D228 HydrophobicContact CG-CB 4.03Å; P176-V232 HydrophobicContact CG-CG2 3.6Å; P176-Y239 WeakPolarHBondContact CD-OH 2.93Å |
| 177 | N | 87.9 | Confident | 88.6 | Confident | 89 Ų | 89 | 68 Ų | 68 | 48% | 0.476 | 36% | 0.355 | S | S | . | . | trans | -81.7 | 71.8 | -176.5 | -169.1 | -6.6 | 0 | 0 | 0 | 111.4 | R221 | N177-R221 PolarHBondContact O-N 3.07Å; N177-R221 PolarHBondContact OD1-NH1 3.46Å | ||
| 178 | I | 88.6 | Confident | 89.1 | Confident | 16 Ų | 16 | 68.6 Ų | 68.6 | 8% | 0.082 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 119.2 | 179.1 | -56 | 171.4 | 0 | 0 | 0 | 108.3 | P176 F180 I218 L220 V224 D228 V232 | P176-I178 VanDerWaalsContact C-N 3.25Å; P176-I178 HydrophobicContact CB-CD1 4.08Å; P176-I178 HydrophobicContact CB-CG1 4.2Å; P176-I178 HydrophobicContact CG-CD1 4.13Å; P176-I178 PolarHBondContact O-N 2.9Å; I178-F180 PolarHBondContact O-N 3.49Å; I178-I218 HydrophobicContact CG2-CG2 4.32Å; I178-L220 HydrophobicContact CD1-CD2 4.42Å; I178-L220 HydrophobicContact CG1-CD2 4.06Å; I178-L220 HydrophobicContact CG2-CD2 3.91Å; I178-V224 HydrophobicContact CD1-CB 4.48Å; I178-V224 HydrophobicContact CD1-CG1 3.43Å; I178-V224 VanDerWaalsContact CD1-CG1 3.43Å; I178-V224 HydrophobicContact CD1-CG2 4.14Å; I178-V224 HydrophobicContact CG1-CG1 4.11Å; I178-V224 HydrophobicContact CG1-CG2 3.92Å; I178-D228 HydrophobicContact CD1-CB 4.41Å; I178-V232 HydrophobicContact CB-CG1 4.36Å; I178-V232 HydrophobicContact CB-CG2 4.14Å; I178-V232 HydrophobicContact CD1-CB 4.38Å; I178-V232 HydrophobicContact CD1-CG2 3.87Å; I178-V232 HydrophobicContact CG1-CG2 4.4Å; I178-V232 HydrophobicContact CG2-CG1 4.38Å |
| 179 | G | 88.7 | Confident | 89.4 | Confident | 20 Ų | 20 | 71.8 Ų | 71.8 | 21% | 0.206 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 107.5 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | I218 T219 | G179-I218 WeakPolarHBondContact O-CA 3.49Å; G179-T219 WeakPolarHBondContact CA-OG1 3.41Å; G179-T219 PolarHBondContact N-O 3.29Å; G179-T219 PolarHBondContact N-OG1 3.01Å; G179-T219 PolarHBondContact O-N 3.46Å; G179-T219 PolarHBondContact O-OG1 2.98Å; G179-T219 VanDerWaalsContact O-OG1 3.07Å |
| 180 | F | 90.5 | Very high | 89.3 | Confident | 52 Ų | 52 | 74.4 Ų | 74.4 | 23% | 0.228 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 118.9 | 178.1 | 173.5 | -106 | 0 | 0 | 0 | 110.3 | I178 K182 L208 I213 A216 D217 I218 V232 V233 | I178-F180 PolarHBondContact O-N 3.49Å; F180-K182 HydrophobicContact CE1-CD 4.29Å; F180-K182 HydrophobicContact CE1-CG 3.74Å; F180-K182 HydrophobicContact CE2-CG 4.49Å; F180-K182 HydrophobicContact CZ-CD 4.21Å; F180-K182 HydrophobicContact CZ-CG 3.54Å; F180-L208 HydrophobicContact CE2-CD2 4.02Å; F180-I213 HydrophobicContact CZ-CD1 4.05Å; F180-A216 HydrophobicContact CE2-CB 3.9Å; F180-D217 WeakPolarHBondContact CA-O 3.31Å; F180-I218 HydrophobicContact CD2-CD1 4.5Å; F180-I218 HydrophobicContact CD2-CG1 3.96Å; F180-V232 HydrophobicContact CB-CG1 3.74Å; F180-V232 HydrophobicContact CG-CG1 4.36Å; F180-V233 HydrophobicContact CE2-CG2 4.3Å |
| 181 | K | 91.2 | Very high | 89.1 | Confident | 144 Ų | 144 | 77.1 Ų | 77.1 | 63% | 0.626 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 115.8 | 178.3 | -173.1 | 177 | -179.4 | 178.6 | 0 | 110.6 | A216 D217 | K181-A216 CarbonylContact O-C 3.42Å; K181-A216 WeakPolarHBondContact O-CA 3.49Å; K181-D217 HydrophobicContact CB-CB 4.43Å; K181-D217 PolarHBondContact N-O 3.45Å; K181-D217 PolarHBondContact O-N 3.36Å |
| 182 | K | 90 | Very high | 88.8 | Confident | 131 Ų | 131 | 78.6 Ų | 78.6 | 57% | 0.57 | 42% | 0.42 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 141.2 | 173.7 | -65.4 | -174.9 | -178.9 | 177.9 | 0 | 110.3 | F180 | F180-K182 HydrophobicContact CE1-CD 4.29Å; F180-K182 HydrophobicContact CE1-CG 3.74Å; F180-K182 HydrophobicContact CE2-CG 4.49Å; F180-K182 HydrophobicContact CZ-CD 4.21Å; F180-K182 HydrophobicContact CZ-CG 3.54Å |
| 183 | K | 90.9 | Very high | 88.5 | Confident | 82 Ų | 82 | 81.4 Ų | 81.4 | 36% | 0.357 | 44% | 0.439 | S | S | . | . | trans | -121 | 160.6 | 176.8 | -77.9 | -180 | 159.1 | 165 | 0 | 110 | N189 N215 D217 | K183-N189 PolarHBondContact NZ-ND2 2.85Å; K183-N215 HydrophobicContact CB-CB 4.1Å; K183-N215 PolarHBondContact N-O 3.1Å; K183-N215 WeakPolarHBondContact O-CB 3.38Å; K183-D217 WeakPolarHBondContact CD-OD1 3.46Å; K183-D217 VanDerWaalsContact CE-OD1 3.28Å; K183-D217 WeakPolarHBondContact CE-OD1 3.48Å; K183-D217 WeakPolarHBondContact CE-OD2 3.43Å; K183-D217 IonicContact NZ-OD1 2.71Å; K183-D217 PolarHBondContact NZ-OD1 3.34Å; K183-D217 IonicContact NZ-OD2 2.72Å; K183-D217 PolarHBondContact NZ-OD2 2.95Å | ||
| 184 | D | 87.3 | Confident | 88.1 | Confident | 155 Ų | 155 | 79.1 Ų | 79.1 | 83% | 0.829 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -82.5 | -34.2 | 174.4 | -59.1 | -46.8 | 0 | 0 | 0 | 112.2 | N215 | D184-N215 PolarHBondContact O-ND2 3.33Š|
| 185 | K | 87.7 | Confident | 87.8 | Confident | 180 Ų | 180 | 76.1 Ų | 76.1 | 78% | 0.783 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -145.3 | 162.1 | -178.3 | -62.1 | -176.5 | -177.4 | 178.9 | 0 | 110.8 | ||
| 186 | G | 84.6 | Confident | 87.5 | Confident | 58 Ų | 58 | 74.3 Ų | 74.3 | 60% | 0.598 | 42% | 0.421 | S | S | * | . | S | Bend | trans | 108.4 | 11.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | N215 | G186-N215 PolarHBondContact N-OD1 2.82Š|
| 187 | G | 88.9 | Confident | 87.1 | Confident | 30 Ų | 30 | 77.6 Ų | 77.6 | 31% | 0.309 | 45% | 0.445 | S | S | . | . | trans | 68.8 | -166 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | H214 N215 A216 | G187-H214 CarbonylContact C-O 3.56Å; G187-H214 WeakPolarHBondContact CA-O 3.44Å; G187-N215 WeakPolarHBondContact CA-OD1 3.4Å; G187-N215 PolarHBondContact N-OD1 3.33Å; G187-N215 VanDerWaalsContact O-CA 3.31Å; G187-N215 WeakPolarHBondContact O-CA 3.46Å; G187-A216 PolarHBondContact O-N 3.34Å; G187-A216 VanDerWaalsContact O-N 3.1Å | ||
| 188 | I | 89.8 | Confident | 86.4 | Confident | 35 Ų | 35 | 78.7 Ų | 78.7 | 18% | 0.179 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 111.8 | 178.1 | -62.7 | 165.6 | 0 | 0 | 0 | 108.4 | K205 L208 A216 | I188-K205 HydrophobicContact CB-CG 4.41Å; I188-K205 HydrophobicContact CD1-CB 4.26Å; I188-K205 HydrophobicContact CD1-CG 3.91Å; I188-K205 HydrophobicContact CG2-CG 4.49Å; I188-L208 HydrophobicContact CB-CD1 4.47Å; I188-L208 HydrophobicContact CD1-CB 3.94Å; I188-L208 HydrophobicContact CD1-CD1 3.58Å; I188-L208 HydrophobicContact CD1-CG 4.43Å; I188-L208 HydrophobicContact CG1-CD1 3.82Å; I188-L208 HydrophobicContact CG2-CD1 3.78Å; I188-A216 CarbonylContact C-O 3.54Å; I188-A216 VanDerWaalsContact CA-O 3.32Å; I188-A216 WeakPolarHBondContact CA-O 3.42Å |
| 189 | N | 89.6 | Confident | 86 | Confident | 70 Ų | 70 | 78.1 Ų | 78.1 | 37% | 0.374 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 120.4 | 171.3 | -60.5 | -47.4 | 0 | 0 | 0 | 108.8 | K183 A216 D217 I218 | K183-N189 PolarHBondContact NZ-ND2 2.85Å; N189-A216 PolarHBondContact N-O 3.45Å; N189-D217 WeakPolarHBondContact CB-OD1 3.22Å; N189-D217 PolarHBondContact ND2-OD1 2.9Å; N189-I218 PolarHBondContact O-N 3.35Å |
| 190 | F | 87.8 | Confident | 85.8 | Confident | 55 Ų | 55 | 80.8 Ų | 80.8 | 24% | 0.241 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 122.6 | 178.6 | 177.6 | -100.3 | 0 | 0 | 0 | 109.3 | A192 V204 I218 L220 | F190-A192 HydrophobicContact CE1-CB 3.93Å; F190-A192 HydrophobicContact CZ-CB 4.03Å; F190-V204 HydrophobicContact CD2-CG1 4.32Å; F190-V204 HydrophobicContact CD2-CG2 4.08Å; F190-V204 HydrophobicContact CE2-CG2 3.83Å; F190-I218 HydrophobicContact CD2-CB 4.47Å; F190-I218 HydrophobicContact CD2-CG2 4.18Å; F190-I218 HydrophobicContact CE2-CG2 4.48Å; F190-L220 HydrophobicContact CE2-CD1 3.48Å; F190-L220 VanDerWaalsContact CE2-CD1 3.48Å; F190-L220 HydrophobicContact CE2-CG 3.87Å; F190-L220 HydrophobicContact CZ-CD1 3.64Å; F190-L220 HydrophobicContact CZ-CG 4.3Å |
| 191 | T | 89.1 | Confident | 85.5 | Confident | 79 Ų | 79 | 80.4 Ų | 80.4 | 49% | 0.485 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 122.6 | 175.6 | -52 | 0 | 0 | 0 | 0 | 108.6 | I218 T219 L220 | T191-I218 PolarHBondContact N-O 2.9Å; T191-T219 CarbonylContact O-C 3.51Å; T191-T219 VanDerWaalsContact O-CA 3.31Å; T191-T219 WeakPolarHBondContact O-CA 3.49Å; T191-L220 PolarHBondContact O-N 3.18Å |
| 192 | A | 86.1 | Confident | 85.2 | Confident | 45 Ų | 45 | 79.5 Ų | 79.5 | 37% | 0.372 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 126.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | F190 Q196 L220 | F190-A192 HydrophobicContact CE1-CB 3.93Å; F190-A192 HydrophobicContact CZ-CB 4.03Å; A192-Q196 HydrophobicContact CB-CG 4.27Å; A192-L220 HydrophobicContact CB-CB 4.5Å |
| 193 | T | 86.1 | Confident | 85 | Confident | 110 Ų | 110 | 73.5 Ų | 73.5 | 68% | 0.675 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -84.4 | -28.7 | 178.6 | -41.4 | 0 | 0 | 0 | 0 | 111.2 | L220 | T193-L220 WeakPolarHBondContact CB-O 3.32Å; T193-L220 PolarHBondContact N-O 2.73Å; T193-L220 PolarHBondContact OG1-O 2.8Å |
| 194 | C | 82.3 | Confident | 84.9 | Confident | 47 Ų | 47 | 69.6 Ų | 69.6 | 32% | 0.318 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -124.4 | 158.5 | 178.8 | 60.4 | 0 | 0 | 0 | 0 | 110.8 | Q196 S222 D223 | C194-Q196 PolarHBondContact O-N 2.68Å; C194-Q196 PolarHBondContact O-NE2 3.03Å; C194-Q196 VanDerWaalsContact O-NE2 3.16Å; C194-Q196 PolarHBondContact SG-NE2 3.3Å; C194-S222 WeakPolarHBondContact SG-CA 3.2Å; C194-S222 PolarHBondContact SG-O 2.82Å; C194-D223 PolarHBondContact SG-N 3.07Å |
| 195 | A | 81.6 | Confident | 85 | Confident | 94 Ų | 94 | 67 Ų | 67 | 78% | 0.777 | 39% | 0.394 | S | S | * | . | trans | -57.3 | 137.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 196 | Q | 81.3 | Confident | 85 | Confident | 41 Ų | 41 | 60.5 Ų | 60.5 | 19% | 0.192 | 37% | 0.37 | C | S | . | . | trans | -105.5 | 136.4 | 180 | -61.8 | -60.7 | -55.8 | 0 | 0 | 109.5 | A192 C194 L199 L220 S222 | A192-Q196 HydrophobicContact CB-CG 4.27Å; C194-Q196 PolarHBondContact O-N 2.68Å; C194-Q196 PolarHBondContact O-NE2 3.03Å; C194-Q196 VanDerWaalsContact O-NE2 3.16Å; C194-Q196 PolarHBondContact SG-NE2 3.3Å; Q196-L199 HydrophobicContact CB-CB 4.45Å; Q196-L220 HydrophobicContact CG-CD1 3.98Å; Q196-S222 PolarHBondContact NE2-O 2.94Å | ||
| 197 | S | 78.2 | Confident | 85.2 | Confident | 96 Ų | 96 | 57.8 Ų | 57.8 | 67% | 0.671 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -84.3 | -36.8 | -179.8 | -56.3 | 0 | 0 | 0 | 0 | 112.3 | D223 | S197-D223 WeakPolarHBondContact CB-OD2 3.43Å; S197-D223 PolarHBondContact N-OD1 3.36Å; S197-D223 PolarHBondContact OG-OD1 2.87Å; S197-D223 PolarHBondContact OG-OD2 3.4Å |
| 198 | E | 75.1 | Confident | 85.3 | Confident | 112 Ų | 112 | 56.3 Ų | 56.3 | 52% | 0.523 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -123.1 | -23.3 | -171.1 | -60.4 | -171.5 | 165.2 | 0 | 0 | 114.4 | ||
| 199 | L | 80.1 | Confident | 85.2 | Confident | 4 Ų | 4 | 57.2 Ų | 57.2 | 2% | 0.021 | 34% | 0.339 | C | S | . | . | trans | -101.4 | 108.3 | -169.1 | -83.5 | 179 | 0 | 0 | 0 | 113.3 | Q196 T203 V204 L220 V224 A226 L229 | Q196-L199 HydrophobicContact CB-CB 4.45Å; L199-T203 HydrophobicContact CD2-CG2 4.32Å; L199-V204 HydrophobicContact CD2-CG2 4.09Å; L199-L220 HydrophobicContact CD1-CD1 4.14Å; L199-V224 HydrophobicContact CD1-CB 3.94Å; L199-V224 HydrophobicContact CD1-CG1 3.6Å; L199-V224 WeakPolarHBondContact CD1-O 3.19Å; L199-V224 WeakPolarHBondContact CG-O 3.28Å; L199-A226 HydrophobicContact CD2-CB 4.32Å; L199-L229 HydrophobicContact CD1-CB 4.44Å; L199-L229 HydrophobicContact CD2-CD2 4.44Å | ||
| 200 | D | 84.2 | Confident | 85.2 | Confident | 76 Ų | 76 | 55.6 Ų | 55.6 | 41% | 0.406 | 33% | 0.33 | S | S | . | . | trans | -95.5 | 154.2 | 168.3 | -68.8 | -31.4 | 0 | 0 | 0 | 112 | E202 T203 V204 | D200-E202 PolarHBondContact O-N 3.25Å; D200-E202 VanDerWaalsContact O-N 3.14Å; D200-T203 WeakPolarHBondContact O-CB 3.25Å; D200-T203 PolarHBondContact O-N 3.15Å; D200-V204 WeakPolarHBondContact O-CG2 3.28Å; D200-V204 PolarHBondContact O-N 3.12Å | ||
| 201 | S | 84.5 | Confident | 85.2 | Confident | 45 Ų | 45 | 54.8 Ų | 54.8 | 32% | 0.315 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -53 | -35.5 | 176.2 | -177.6 | 0 | 0 | 0 | 0 | 112.6 | K205 | S201-K205 VanDerWaalsContact O-CG 3.25Å; S201-K205 WeakPolarHBondContact O-CG 3.4Å; S201-K205 PolarHBondContact O-N 3.33Å |
| 202 | E | 84.8 | Confident | 85.2 | Confident | 124 Ų | 124 | 59 Ų | 59 | 58% | 0.579 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -69.9 | -41.7 | 177.3 | -65 | -176.6 | 177 | 0 | 0 | 112.8 | H25 D200 V204 K205 T206 | H25-E202 IonicContact CE1-OE2 3.96Å; H25-E202 IonicContact NE2-OE2 3.51Å; D200-E202 PolarHBondContact O-N 3.25Å; D200-E202 VanDerWaalsContact O-N 3.14Å; E202-V204 VanDerWaalsContact C-N 3.34Å; E202-K205 PolarHBondContact O-N 3.42Å; E202-T206 WeakPolarHBondContact O-CB 3.31Å; E202-T206 PolarHBondContact O-N 2.99Å; E202-T206 PolarHBondContact O-OG1 3.24Å |
| 203 | T | 85.8 | Confident | 85.4 | Confident | 5 Ų | 5 | 57.6 Ų | 57.6 | 3% | 0.031 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.5 | -43.5 | 174.7 | -54.9 | 0 | 0 | 0 | 0 | 110.7 | H25 L199 D200 K205 T206 I207 | H25-T203 PolarHBondContact CE1-OG1 3.07Å; H25-T203 PolarHBondContact ND1-OG1 3.49Å; L199-T203 HydrophobicContact CD2-CG2 4.32Å; D200-T203 WeakPolarHBondContact O-CB 3.25Å; D200-T203 PolarHBondContact O-N 3.15Å; T203-K205 PolarHBondContact O-N 2.96Å; T203-T206 WeakPolarHBondContact O-CB 3.44Å; T203-T206 PolarHBondContact O-N 2.98Å; T203-I207 HydrophobicContact CG2-CD1 4.02Å; T203-I207 WeakPolarHBondContact O-CG1 3.4Å; T203-I207 PolarHBondContact O-N 3.34Å |
| 204 | V | 88 | Confident | 85.5 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.7 | -46.6 | 176.2 | 173.7 | 0 | 0 | 0 | 0 | 111.3 | F190 L199 D200 E202 T206 I207 L208 I218 L229 | F190-V204 HydrophobicContact CD2-CG1 4.32Å; F190-V204 HydrophobicContact CD2-CG2 4.08Å; F190-V204 HydrophobicContact CE2-CG2 3.83Å; L199-V204 HydrophobicContact CD2-CG2 4.09Å; D200-V204 WeakPolarHBondContact O-CG2 3.28Å; D200-V204 PolarHBondContact O-N 3.12Å; E202-V204 VanDerWaalsContact C-N 3.34Å; V204-T206 VanDerWaalsContact C-N 3.3Å; V204-T206 PolarHBondContact O-N 3.43Å; V204-I207 PolarHBondContact O-N 2.65Å; V204-L208 HydrophobicContact CG1-CD1 4.23Å; V204-L208 WeakPolarHBondContact O-CB 3.42Å; V204-L208 WeakPolarHBondContact O-CG 3.49Å; V204-L208 PolarHBondContact O-N 3.03Å; V204-I218 HydrophobicContact CG1-CD1 3.31Å; V204-L229 HydrophobicContact CB-CD2 4.31Å; V204-L229 HydrophobicContact CG1-CD2 4.09Å; V204-L229 HydrophobicContact CG2-CD2 3.96Å |
| 205 | K | 88.9 | Confident | 86 | Confident | 100 Ų | 100 | 58.3 Ų | 58.3 | 44% | 0.435 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59.5 | -41.6 | 175.9 | -73.8 | 171.3 | -174.6 | 177.6 | 0 | 111.9 | I188 S201 E202 T203 L208 A209 | I188-K205 HydrophobicContact CB-CG 4.41Å; I188-K205 HydrophobicContact CD1-CB 4.26Å; I188-K205 HydrophobicContact CD1-CG 3.91Å; I188-K205 HydrophobicContact CG2-CG 4.49Å; S201-K205 VanDerWaalsContact O-CG 3.25Å; S201-K205 WeakPolarHBondContact O-CG 3.4Å; S201-K205 PolarHBondContact O-N 3.33Å; E202-K205 PolarHBondContact O-N 3.42Å; T203-K205 PolarHBondContact O-N 2.96Å; K205-L208 PolarHBondContact O-N 3.14Å; K205-A209 VanDerWaalsContact O-CB 3.24Å; K205-A209 WeakPolarHBondContact O-CB 3.43Å; K205-A209 PolarHBondContact O-N 2.77Å |
| 206 | T | 88.4 | Confident | 86.4 | Confident | 45 Ų | 45 | 53.8 Ų | 53.8 | 28% | 0.276 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -65.2 | -45.6 | -179.9 | -55.6 | 0 | 0 | 0 | 0 | 111.5 | L29 E202 T203 V204 A209 E210 | L29-T206 HydrophobicContact CB-CG2 3.97Å; L29-T206 HydrophobicContact CD1-CG2 4.19Å; E202-T206 WeakPolarHBondContact O-CB 3.31Å; E202-T206 PolarHBondContact O-N 2.99Å; E202-T206 PolarHBondContact O-OG1 3.24Å; T203-T206 WeakPolarHBondContact O-CB 3.44Å; T203-T206 PolarHBondContact O-N 2.98Å; V204-T206 VanDerWaalsContact C-N 3.3Å; V204-T206 PolarHBondContact O-N 3.43Å; T206-A209 PolarHBondContact O-N 2.82Å; T206-E210 PolarHBondContact O-N 3.05Å |
| 207 | I | 89.6 | Confident | 86.9 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.5 | -50.8 | 175.7 | -68.1 | 167.8 | 0 | 0 | 0 | 109.9 | A32 T203 V204 A209 E210 Y211 A226 L229 I230 | A32-I207 HydrophobicContact CB-CG2 4.25Å; T203-I207 HydrophobicContact CG2-CD1 4.02Å; T203-I207 WeakPolarHBondContact O-CG1 3.4Å; T203-I207 PolarHBondContact O-N 3.34Å; V204-I207 PolarHBondContact O-N 2.65Å; I207-A209 VanDerWaalsContact C-N 3.33Å; I207-A209 PolarHBondContact O-N 2.67Å; I207-E210 PolarHBondContact O-N 3.27Å; I207-Y211 HydrophobicContact CG2-CD2 4.3Å; I207-Y211 HydrophobicContact CG2-CE2 4.2Å; I207-Y211 VanDerWaalsContact O-CD2 3.29Å; I207-Y211 WeakPolarHBondContact O-CD2 3.48Å; I207-Y211 PolarHBondContact O-N 2.84Å; I207-A226 HydrophobicContact CD1-CB 4.07Å; I207-L229 HydrophobicContact CD1-CD2 4.13Å; I207-L229 HydrophobicContact CG2-CD2 4.35Å; I207-I230 HydrophobicContact CG2-CG1 3.9Å |
| 208 | L | 89.5 | Confident | 87.5 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.1 | -36.3 | -179.9 | -73.5 | -176.7 | 0 | 0 | 0 | 113.4 | F180 I188 V204 K205 E210 Y211 K212 I213 A216 I218 V233 | F180-L208 HydrophobicContact CE2-CD2 4.02Å; I188-L208 HydrophobicContact CB-CD1 4.47Å; I188-L208 HydrophobicContact CD1-CB 3.94Å; I188-L208 HydrophobicContact CD1-CD1 3.58Å; I188-L208 HydrophobicContact CD1-CG 4.43Å; I188-L208 HydrophobicContact CG1-CD1 3.82Å; I188-L208 HydrophobicContact CG2-CD1 3.78Å; V204-L208 HydrophobicContact CG1-CD1 4.23Å; V204-L208 WeakPolarHBondContact O-CB 3.42Å; V204-L208 WeakPolarHBondContact O-CG 3.49Å; V204-L208 PolarHBondContact O-N 3.03Å; K205-L208 PolarHBondContact O-N 3.14Å; L208-E210 VanDerWaalsContact C-N 3.31Å; L208-E210 PolarHBondContact O-N 2.99Å; L208-Y211 CarbonylContact O-C 3.6Å; L208-Y211 PolarHBondContact O-N 2.82Å; L208-Y211 VanDerWaalsContact O-N 3.13Å; L208-K212 PolarHBondContact O-N 3.04Å; L208-I213 HydrophobicContact CB-CB 4.31Å; L208-I213 HydrophobicContact CD2-CB 4.21Å; L208-I213 HydrophobicContact CD2-CD1 4.05Å; L208-I213 HydrophobicContact CD2-CG2 4.2Å; L208-I213 PolarHBondContact O-N 2.9Å; L208-A216 HydrophobicContact CD1-CB 4.31Å; L208-I218 HydrophobicContact CD1-CD1 3.47Å; L208-I218 VanDerWaalsContact CD1-CD1 3.47Å; L208-I218 HydrophobicContact CD2-CD1 4.32Å; L208-I218 HydrophobicContact CG-CD1 4.12Å; L208-V233 HydrophobicContact CD2-CG2 3.83Å |
| 209 | A | 89.3 | Confident | 88.3 | Confident | 53 Ų | 53 | 45.8 Ų | 45.8 | 44% | 0.438 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -61.2 | -38.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | K205 T206 I207 Y211 K212 | K205-A209 VanDerWaalsContact O-CB 3.24Å; K205-A209 WeakPolarHBondContact O-CB 3.43Å; K205-A209 PolarHBondContact O-N 2.77Å; T206-A209 PolarHBondContact O-N 2.82Å; I207-A209 VanDerWaalsContact C-N 3.33Å; I207-A209 PolarHBondContact O-N 2.67Å; A209-Y211 VanDerWaalsContact C-N 3.26Å; A209-Y211 PolarHBondContact O-N 2.91Å; A209-K212 WeakPolarHBondContact O-CA 3.4Å; A209-K212 PolarHBondContact O-N 2.98Å |
| 210 | E | 89.3 | Confident | 88.7 | Confident | 37 Ų | 37 | 45.6 Ų | 45.6 | 17% | 0.173 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.5 | -29.9 | 175.8 | -177.6 | 57.5 | -125.3 | 0 | 0 | 112.6 | L29 A32 R33 K36 T206 I207 L208 K212 | L29-E210 HydrophobicContact CD1-CB 3.9Å; L29-E210 HydrophobicContact CD1-CG 4.14Å; L29-E210 WeakPolarHBondContact CD1-OE2 3.38Å; A32-E210 HydrophobicContact CB-CB 4.18Å; A32-E210 HydrophobicContact CB-CG 4.04Å; R33-E210 VanDerWaalsContact CG-CD 3.46Å; R33-E210 HydrophobicContact CG-CG 3.83Å; R33-E210 WeakPolarHBondContact CG-OE2 3.48Å; R33-E210 IonicContact CZ-OE2 3.59Å; R33-E210 IonicContact NE-OE2 2.7Å; R33-E210 PolarHBondContact NE-OE2 2.96Å; R33-E210 IonicContact NH2-OE2 3.61Å; K36-E210 PolarHBondContact NZ-O 3.46Å; K36-E210 IonicContact NZ-OE1 2.83Å; K36-E210 PolarHBondContact NZ-OE1 3.35Å; T206-E210 PolarHBondContact O-N 3.05Å; I207-E210 PolarHBondContact O-N 3.27Å; L208-E210 VanDerWaalsContact C-N 3.31Å; L208-E210 PolarHBondContact O-N 2.99Å; E210-K212 VanDerWaalsContact C-N 3.26Å; E210-K212 PolarHBondContact O-N 2.74Å |
| 211 | Y | 87.9 | Confident | 88.9 | Confident | 37 Ų | 37 | 48.2 Ų | 48.2 | 15% | 0.145 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | 5 | 171.3 | -73.1 | -81.4 | 0 | 0 | 0 | 113.8 | A32 I207 L208 A209 I213 I230 V233 E234 | A32-Y211 HydrophobicContact CB-CE2 3.86Å; A32-Y211 PolarHBondContact O-OH 2.81Å; I207-Y211 HydrophobicContact CG2-CD2 4.3Å; I207-Y211 HydrophobicContact CG2-CE2 4.2Å; I207-Y211 VanDerWaalsContact O-CD2 3.29Å; I207-Y211 WeakPolarHBondContact O-CD2 3.48Å; I207-Y211 PolarHBondContact O-N 2.84Å; L208-Y211 CarbonylContact O-C 3.6Å; L208-Y211 PolarHBondContact O-N 2.82Å; L208-Y211 VanDerWaalsContact O-N 3.13Å; A209-Y211 VanDerWaalsContact C-N 3.26Å; A209-Y211 PolarHBondContact O-N 2.91Å; Y211-I213 PolarHBondContact O-N 3.28Å; Y211-I230 WeakPolarHBondContact OH-CG2 3.41Å; Y211-V233 HydrophobicContact CD1-CG1 3.97Å; Y211-V233 HydrophobicContact CD2-CG1 3.71Å; Y211-V233 HydrophobicContact CE1-CG1 4.34Å; Y211-V233 HydrophobicContact CE2-CG1 4.11Å; Y211-V233 HydrophobicContact CG-CG1 3.65Å; Y211-E234 HydrophobicContact CE1-CG 3.78Å; Y211-E234 WeakPolarHBondContact OH-CG 3.4Å; Y211-E234 PolarHBondContact OH-OE1 3.13Å |
| 212 | K | 89.1 | Confident | 89 | Confident | 169 Ų | 169 | 48.2 Ų | 48.2 | 74% | 0.735 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.3 | 32.4 | -176.2 | -55.9 | 179.9 | 176.8 | -175.1 | 0 | 113.2 | L208 A209 E210 | L208-K212 PolarHBondContact O-N 3.04Å; A209-K212 WeakPolarHBondContact O-CA 3.4Å; A209-K212 PolarHBondContact O-N 2.98Å; E210-K212 VanDerWaalsContact C-N 3.26Å; E210-K212 PolarHBondContact O-N 2.74Å |
| 213 | I | 89.5 | Confident | 89.1 | Confident | 14 Ų | 14 | 46.3 Ų | 46.3 | 7% | 0.072 | 23% | 0.231 | C | C | . | . | trans | -103.6 | 103.2 | 177.9 | -61.3 | 160.5 | 0 | 0 | 0 | 107.7 | F180 L208 Y211 A216 V233 | F180-I213 HydrophobicContact CZ-CD1 4.05Å; L208-I213 HydrophobicContact CB-CB 4.31Å; L208-I213 HydrophobicContact CD2-CB 4.21Å; L208-I213 HydrophobicContact CD2-CD1 4.05Å; L208-I213 HydrophobicContact CD2-CG2 4.2Å; L208-I213 PolarHBondContact O-N 2.9Å; Y211-I213 PolarHBondContact O-N 3.28Å; I213-A216 HydrophobicContact CG2-CB 3.86Å; I213-V233 HydrophobicContact CD1-CG1 3.82Å | ||
| 214 | H | 88.2 | Confident | 89.1 | Confident | 128 Ų | 128 | 46.1 Ų | 46.1 | 59% | 0.593 | 23% | 0.23 | S | C | * | . | trans | -94.8 | -19.6 | -179.2 | -59.7 | -67 | 0 | 0 | 0 | 113.5 | G187 | G187-H214 CarbonylContact C-O 3.56Å; G187-H214 WeakPolarHBondContact CA-O 3.44Å | ||
| 215 | N | 91.9 | Very high | 89.1 | Confident | 44 Ų | 44 | 48.3 Ų | 48.3 | 24% | 0.235 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -132.5 | 110.4 | -174.7 | -61.8 | -59 | 0 | 0 | 0 | 109.9 | K183 D184 G186 G187 | K183-N215 HydrophobicContact CB-CB 4.1Å; K183-N215 PolarHBondContact N-O 3.1Å; K183-N215 WeakPolarHBondContact O-CB 3.38Å; D184-N215 PolarHBondContact O-ND2 3.33Å; G186-N215 PolarHBondContact N-OD1 2.82Å; G187-N215 WeakPolarHBondContact CA-OD1 3.4Å; G187-N215 PolarHBondContact N-OD1 3.33Å; G187-N215 VanDerWaalsContact O-CA 3.31Å; G187-N215 WeakPolarHBondContact O-CA 3.46Å |
| 216 | A | 91.9 | Very high | 89 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.7 | 148.6 | 180 | 0 | 0 | 0 | 0 | 0 | 112 | F180 K181 G187 I188 N189 L208 I213 | F180-A216 HydrophobicContact CE2-CB 3.9Å; K181-A216 CarbonylContact O-C 3.42Å; K181-A216 WeakPolarHBondContact O-CA 3.49Å; G187-A216 PolarHBondContact O-N 3.34Å; G187-A216 VanDerWaalsContact O-N 3.1Å; I188-A216 CarbonylContact C-O 3.54Å; I188-A216 VanDerWaalsContact CA-O 3.32Å; I188-A216 WeakPolarHBondContact CA-O 3.42Å; N189-A216 PolarHBondContact N-O 3.45Å; L208-A216 HydrophobicContact CD1-CB 4.31Å; I213-A216 HydrophobicContact CG2-CB 3.86Å |
| 217 | D | 91.3 | Very high | 89 | Confident | 38 Ų | 38 | 45 Ų | 45 | 20% | 0.203 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 126.9 | 164.4 | -63.4 | -23.7 | 0 | 0 | 0 | 109.4 | F180 K181 K183 N189 | F180-D217 WeakPolarHBondContact CA-O 3.31Å; K181-D217 HydrophobicContact CB-CB 4.43Å; K181-D217 PolarHBondContact N-O 3.45Å; K181-D217 PolarHBondContact O-N 3.36Å; K183-D217 WeakPolarHBondContact CD-OD1 3.46Å; K183-D217 VanDerWaalsContact CE-OD1 3.28Å; K183-D217 WeakPolarHBondContact CE-OD1 3.48Å; K183-D217 WeakPolarHBondContact CE-OD2 3.43Å; K183-D217 IonicContact NZ-OD1 2.71Å; K183-D217 PolarHBondContact NZ-OD1 3.34Å; K183-D217 IonicContact NZ-OD2 2.72Å; K183-D217 PolarHBondContact NZ-OD2 2.95Å; N189-D217 WeakPolarHBondContact CB-OD1 3.22Å; N189-D217 PolarHBondContact ND2-OD1 2.9Å |
| 218 | I | 91.1 | Very high | 88.9 | Confident | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 123.3 | 173 | -67.4 | 171.6 | 0 | 0 | 0 | 108.3 | I178 G179 F180 N189 F190 T191 V204 L208 L220 L229 | I178-I218 HydrophobicContact CG2-CG2 4.32Å; G179-I218 WeakPolarHBondContact O-CA 3.49Å; F180-I218 HydrophobicContact CD2-CD1 4.5Å; F180-I218 HydrophobicContact CD2-CG1 3.96Å; N189-I218 PolarHBondContact O-N 3.35Å; F190-I218 HydrophobicContact CD2-CB 4.47Å; F190-I218 HydrophobicContact CD2-CG2 4.18Å; F190-I218 HydrophobicContact CE2-CG2 4.48Å; T191-I218 PolarHBondContact N-O 2.9Å; V204-I218 HydrophobicContact CG1-CD1 3.31Å; L208-I218 HydrophobicContact CD1-CD1 3.47Å; L208-I218 VanDerWaalsContact CD1-CD1 3.47Å; L208-I218 HydrophobicContact CD2-CD1 4.32Å; L208-I218 HydrophobicContact CG-CD1 4.12Å; I218-L220 HydrophobicContact CG2-CD2 3.75Å; I218-L220 HydrophobicContact CG2-CG 4.19Å; I218-L229 HydrophobicContact CD1-CD1 4.12Å |
| 219 | T | 90.9 | Very high | 88.9 | Confident | 41 Ų | 41 | 46.7 Ų | 46.7 | 25% | 0.252 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 113.7 | 173.7 | 50.9 | 0 | 0 | 0 | 0 | 109 | G179 T191 | G179-T219 WeakPolarHBondContact CA-OG1 3.41Å; G179-T219 PolarHBondContact N-O 3.29Å; G179-T219 PolarHBondContact N-OG1 3.01Å; G179-T219 PolarHBondContact O-N 3.46Å; G179-T219 PolarHBondContact O-OG1 2.98Å; G179-T219 VanDerWaalsContact O-OG1 3.07Å; T191-T219 CarbonylContact O-C 3.51Å; T191-T219 VanDerWaalsContact O-CA 3.31Å; T191-T219 WeakPolarHBondContact O-CA 3.49Å |
| 220 | L | 89.6 | Confident | 88.9 | Confident | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 120.6 | 174.7 | -55.4 | -172.7 | 0 | 0 | 0 | 109.1 | I178 F190 T191 A192 T193 Q196 L199 I218 V224 | I178-L220 HydrophobicContact CD1-CD2 4.42Å; I178-L220 HydrophobicContact CG1-CD2 4.06Å; I178-L220 HydrophobicContact CG2-CD2 3.91Å; F190-L220 HydrophobicContact CE2-CD1 3.48Å; F190-L220 VanDerWaalsContact CE2-CD1 3.48Å; F190-L220 HydrophobicContact CE2-CG 3.87Å; F190-L220 HydrophobicContact CZ-CD1 3.64Å; F190-L220 HydrophobicContact CZ-CG 4.3Å; T191-L220 PolarHBondContact O-N 3.18Å; A192-L220 HydrophobicContact CB-CB 4.5Å; T193-L220 WeakPolarHBondContact CB-O 3.32Å; T193-L220 PolarHBondContact N-O 2.73Å; T193-L220 PolarHBondContact OG1-O 2.8Å; Q196-L220 HydrophobicContact CG-CD1 3.98Å; L199-L220 HydrophobicContact CD1-CD1 4.14Å; I218-L220 HydrophobicContact CG2-CD2 3.75Å; I218-L220 HydrophobicContact CG2-CG 4.19Å; L220-V224 HydrophobicContact CD1-CB 4.44Å; L220-V224 HydrophobicContact CD2-CB 4.33Å; L220-V224 HydrophobicContact CD2-CG1 4.3Å; L220-V224 HydrophobicContact CD2-CG2 4.26Å |
| 221 | R | 87.9 | Confident | 88.9 | Confident | 131 Ų | 131 | 42.8 Ų | 42.8 | 49% | 0.494 | 21% | 0.212 | S | C | . | . | trans | -103.9 | -9.1 | 178 | -58.8 | -169.3 | -175 | 87.3 | 5.9 | 113.7 | N177 | N177-R221 PolarHBondContact O-N 3.07Å; N177-R221 PolarHBondContact OD1-NH1 3.46Å | ||
| 222 | S | 85.8 | Confident | 88.9 | Confident | 45 Ų | 45 | 42.8 Ų | 42.8 | 32% | 0.315 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -136.6 | 170.6 | 177.2 | 59.7 | 0 | 0 | 0 | 0 | 109.9 | C194 Q196 V224 | C194-S222 WeakPolarHBondContact SG-CA 3.2Å; C194-S222 PolarHBondContact SG-O 2.82Å; Q196-S222 PolarHBondContact NE2-O 2.94Å; S222-V224 WeakPolarHBondContact O-CG2 3.38Å; S222-V224 PolarHBondContact O-N 3.16Å |
| 223 | D | 86.5 | Confident | 88.8 | Confident | 84 Ų | 84 | 35.5 Ų | 35.5 | 45% | 0.449 | 19% | 0.185 | S | C | . | . | trans | -67.7 | 122.6 | 166.8 | -169 | 20.9 | 0 | 0 | 0 | 107.7 | C194 S197 | C194-D223 PolarHBondContact SG-N 3.07Å; S197-D223 WeakPolarHBondContact CB-OD2 3.43Å; S197-D223 PolarHBondContact N-OD1 3.36Å; S197-D223 PolarHBondContact OG-OD1 2.87Å; S197-D223 PolarHBondContact OG-OD2 3.4Å | ||
| 224 | V | 85.6 | Confident | 88.6 | Confident | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | trans | -126.9 | 137.1 | -167.2 | 170.7 | 0 | 0 | 0 | 0 | 108.7 | I178 L199 L220 S222 D228 | I178-V224 HydrophobicContact CD1-CB 4.48Å; I178-V224 HydrophobicContact CD1-CG1 3.43Å; I178-V224 VanDerWaalsContact CD1-CG1 3.43Å; I178-V224 HydrophobicContact CD1-CG2 4.14Å; I178-V224 HydrophobicContact CG1-CG1 4.11Å; I178-V224 HydrophobicContact CG1-CG2 3.92Å; L199-V224 HydrophobicContact CD1-CB 3.94Å; L199-V224 HydrophobicContact CD1-CG1 3.6Å; L199-V224 WeakPolarHBondContact CD1-O 3.19Å; L199-V224 WeakPolarHBondContact CG-O 3.28Å; L220-V224 HydrophobicContact CD1-CB 4.44Å; L220-V224 HydrophobicContact CD2-CB 4.33Å; L220-V224 HydrophobicContact CD2-CG1 4.3Å; L220-V224 HydrophobicContact CD2-CG2 4.26Å; S222-V224 WeakPolarHBondContact O-CG2 3.38Å; S222-V224 PolarHBondContact O-N 3.16Å; V224-D228 HydrophobicContact CG1-CB 3.7Å | ||
| 225 | T | 88.7 | Confident | 88.2 | Confident | 46 Ų | 46 | 33 Ų | 33 | 28% | 0.282 | 19% | 0.191 | S | C | . | . | trans | -89.2 | 164 | 175.7 | 69 | 0 | 0 | 0 | 0 | 111.6 | D227 D228 L229 | T225-D227 PolarHBondContact O-N 2.91Å; T225-D227 PolarHBondContact OG1-N 3.44Å; T225-D228 WeakPolarHBondContact CB-OD2 3.34Å; T225-D228 PolarHBondContact N-OD2 3.35Å; T225-D228 PolarHBondContact O-N 3.46Å; T225-D228 PolarHBondContact OG1-N 3.37Å; T225-D228 PolarHBondContact OG1-OD2 3.29Å; T225-L229 PolarHBondContact O-N 3.09Å | ||
| 226 | A | 87.4 | Confident | 87.6 | Confident | 9 Ų | 9 | 33.6 Ų | 33.6 | 7% | 0.074 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -57.1 | -32.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | K31 L199 I207 I230 | K31-A226 HydrophobicContact CD-CB 4.34Å; L199-A226 HydrophobicContact CD2-CB 4.32Å; I207-A226 HydrophobicContact CD1-CB 4.07Å; A226-I230 WeakPolarHBondContact O-CD1 3.46Å; A226-I230 VanDerWaalsContact O-CG1 3.25Å; A226-I230 WeakPolarHBondContact O-CG1 3.43Å; A226-I230 PolarHBondContact O-N 2.83Å; A226-I230 VanDerWaalsContact O-N 3.12Å |
| 227 | D | 87.4 | Confident | 87.4 | Confident | 65 Ų | 65 | 35.3 Ų | 35.3 | 35% | 0.348 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -72.3 | -37.5 | -179.5 | -60.5 | -33.5 | 0 | 0 | 0 | 111.3 | K31 T225 I230 D231 | K31-D227 VanDerWaalsContact CD-OD1 3.28Å; K31-D227 WeakPolarHBondContact CD-OD1 3.39Å; K31-D227 WeakPolarHBondContact CE-OD1 3.35Å; K31-D227 IonicContact NZ-OD1 3.87Å; K31-D227 PolarHBondContact NZ-OD1 2.89Å; K31-D227 IonicContact NZ-OD2 3.51Å; K31-D227 PolarHBondContact NZ-OD2 3.16Å; T225-D227 PolarHBondContact O-N 2.91Å; T225-D227 PolarHBondContact OG1-N 3.44Å; D227-I230 WeakPolarHBondContact O-CB 3.45Å; D227-I230 PolarHBondContact O-N 2.85Å; D227-D231 WeakPolarHBondContact O-CB 3.5Å; D227-D231 PolarHBondContact O-N 2.95Å |
| 228 | D | 88.8 | Confident | 87.3 | Confident | 36 Ų | 36 | 35.3 Ų | 35.3 | 19% | 0.193 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.6 | -39.2 | 176.3 | -63.7 | -44.7 | 0 | 0 | 0 | 112 | P176 I178 V224 T225 D231 V232 | P176-D228 HydrophobicContact CB-CB 4.01Å; P176-D228 HydrophobicContact CG-CB 4.03Å; I178-D228 HydrophobicContact CD1-CB 4.41Å; V224-D228 HydrophobicContact CG1-CB 3.7Å; T225-D228 WeakPolarHBondContact CB-OD2 3.34Å; T225-D228 PolarHBondContact N-OD2 3.35Å; T225-D228 PolarHBondContact O-N 3.46Å; T225-D228 PolarHBondContact OG1-N 3.37Å; T225-D228 PolarHBondContact OG1-OD2 3.29Å; D228-D231 WeakPolarHBondContact O-CB 3.43Å; D228-D231 PolarHBondContact O-N 2.91Å; D228-V232 PolarHBondContact O-N 2.94Å; D228-V232 VanDerWaalsContact O-N 3.14Å |
| 229 | L | 88.8 | Confident | 87.3 | Confident | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.5 | -44.6 | 173.4 | 179.1 | 65.5 | 0 | 0 | 0 | 111 | L199 V204 I207 I218 T225 D231 V232 V233 | L199-L229 HydrophobicContact CD1-CB 4.44Å; L199-L229 HydrophobicContact CD2-CD2 4.44Å; V204-L229 HydrophobicContact CB-CD2 4.31Å; V204-L229 HydrophobicContact CG1-CD2 4.09Å; V204-L229 HydrophobicContact CG2-CD2 3.96Å; I207-L229 HydrophobicContact CD1-CD2 4.13Å; I207-L229 HydrophobicContact CG2-CD2 4.35Å; I218-L229 HydrophobicContact CD1-CD1 4.12Å; T225-L229 PolarHBondContact O-N 3.09Å; L229-D231 VanDerWaalsContact C-N 3.27Å; L229-D231 PolarHBondContact O-N 2.79Å; L229-V232 PolarHBondContact O-N 3.35Å; L229-V233 HydrophobicContact CD1-CG2 4.27Å; L229-V233 HydrophobicContact CG-CG2 4.39Å; L229-V233 WeakPolarHBondContact O-CB 3.43Å; L229-V233 VanDerWaalsContact O-CG2 3.25Å; L229-V233 WeakPolarHBondContact O-CG2 3.34Å; L229-V233 PolarHBondContact O-N 3.36Å |
| 230 | I | 88.7 | Confident | 87.4 | Confident | 4 Ų | 4 | 36.4 Ų | 36.4 | 2% | 0.021 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.6 | -41.6 | 176 | -73.1 | 164.8 | 0 | 0 | 0 | 110.4 | K31 A32 A35 I207 Y211 A226 D227 V232 V233 E234 | K31-I230 HydrophobicContact CB-CD1 3.7Å; A32-I230 HydrophobicContact CB-CD1 4.37Å; A35-I230 HydrophobicContact CB-CG2 3.51Å; I207-I230 HydrophobicContact CG2-CG1 3.9Å; Y211-I230 WeakPolarHBondContact OH-CG2 3.41Å; A226-I230 WeakPolarHBondContact O-CD1 3.46Å; A226-I230 VanDerWaalsContact O-CG1 3.25Å; A226-I230 WeakPolarHBondContact O-CG1 3.43Å; A226-I230 PolarHBondContact O-N 2.83Å; A226-I230 VanDerWaalsContact O-N 3.12Å; D227-I230 WeakPolarHBondContact O-CB 3.45Å; D227-I230 PolarHBondContact O-N 2.85Å; I230-V232 VanDerWaalsContact C-N 3.35Å; I230-V232 PolarHBondContact O-N 2.99Å; I230-V233 PolarHBondContact O-N 3.22Å; I230-E234 HydrophobicContact CG2-CG 4.37Å; I230-E234 WeakPolarHBondContact O-CB 3.28Å; I230-E234 WeakPolarHBondContact O-CG 3.41Å; I230-E234 PolarHBondContact O-N 3.49Å |
| 231 | D | 89.2 | Confident | 87.6 | Confident | 4 Ų | 4 | 38.1 Ų | 38.1 | 2% | 0.021 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.5 | -42.4 | 178.9 | -74.3 | -12.5 | 0 | 0 | 0 | 112.5 | R170 D227 D228 L229 G235 R237 | R170-D231 IonicContact CZ-OD1 2.82Å; R170-D231 IonicContact CZ-OD2 3.15Å; R170-D231 IonicContact NE-OD1 2.79Å; R170-D231 IonicContact NE-OD2 2.77Å; R170-D231 PolarHBondContact NE-OD2 3.38Å; R170-D231 IonicContact NH2-OD1 2.74Å; R170-D231 PolarHBondContact NH2-OD1 3.25Å; R170-D231 IonicContact NH2-OD2 3.51Å; R170-D231 PolarHBondContact NH2-OD2 3.46Å; D227-D231 WeakPolarHBondContact O-CB 3.5Å; D227-D231 PolarHBondContact O-N 2.95Å; D228-D231 WeakPolarHBondContact O-CB 3.43Å; D228-D231 PolarHBondContact O-N 2.91Å; L229-D231 VanDerWaalsContact C-N 3.27Å; L229-D231 PolarHBondContact O-N 2.79Å; D231-G235 PolarHBondContact O-N 3.39Å; D231-R237 HydrophobicContact CB-CG 3.83Å; D231-R237 WeakPolarHBondContact OD1-CD 3.41Å; D231-R237 IonicContact OD1-CZ 2.9Å; D231-R237 IonicContact OD1-NE 3.93Å; D231-R237 PolarHBondContact OD1-NE 3.4Å; D231-R237 IonicContact OD1-NH2 3.69Å |
| 232 | V | 88.2 | Confident | 87.9 | Confident | 36 Ų | 36 | 31.9 Ų | 31.9 | 22% | 0.218 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -71.5 | -39.8 | 176.8 | 173.7 | 0 | 0 | 0 | 0 | 112.2 | P176 I178 F180 D228 L229 I230 E234 | P176-V232 HydrophobicContact CG-CG2 3.6Å; I178-V232 HydrophobicContact CB-CG1 4.36Å; I178-V232 HydrophobicContact CB-CG2 4.14Å; I178-V232 HydrophobicContact CD1-CB 4.38Å; I178-V232 HydrophobicContact CD1-CG2 3.87Å; I178-V232 HydrophobicContact CG1-CG2 4.4Å; I178-V232 HydrophobicContact CG2-CG1 4.38Å; F180-V232 HydrophobicContact CB-CG1 3.74Å; F180-V232 HydrophobicContact CG-CG1 4.36Å; D228-V232 PolarHBondContact O-N 2.94Å; D228-V232 VanDerWaalsContact O-N 3.14Å; L229-V232 PolarHBondContact O-N 3.35Å; I230-V232 VanDerWaalsContact C-N 3.35Å; I230-V232 PolarHBondContact O-N 2.99Å; V232-E234 VanDerWaalsContact C-N 3.29Å; V232-E234 PolarHBondContact O-N 2.9Å |
| 233 | V | 88 | Confident | 88.4 | Confident | 16 Ų | 16 | 29.8 Ų | 29.8 | 10% | 0.097 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.2 | -35.7 | 177.5 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | F180 L208 Y211 I213 L229 I230 | F180-V233 HydrophobicContact CE2-CG2 4.3Å; L208-V233 HydrophobicContact CD2-CG2 3.83Å; Y211-V233 HydrophobicContact CD1-CG1 3.97Å; Y211-V233 HydrophobicContact CD2-CG1 3.71Å; Y211-V233 HydrophobicContact CE1-CG1 4.34Å; Y211-V233 HydrophobicContact CE2-CG1 4.11Å; Y211-V233 HydrophobicContact CG-CG1 3.65Å; I213-V233 HydrophobicContact CD1-CG1 3.82Å; L229-V233 HydrophobicContact CD1-CG2 4.27Å; L229-V233 HydrophobicContact CG-CG2 4.39Å; L229-V233 WeakPolarHBondContact O-CB 3.43Å; L229-V233 VanDerWaalsContact O-CG2 3.25Å; L229-V233 WeakPolarHBondContact O-CG2 3.34Å; L229-V233 PolarHBondContact O-N 3.36Å; I230-V233 PolarHBondContact O-N 3.22Å |
| 234 | E | 84 | Confident | 88.9 | Confident | 25 Ų | 25 | 26.8 Ų | 26.8 | 12% | 0.117 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -78.8 | -36.2 | 178.1 | -73.3 | -160.8 | 175.5 | 0 | 0 | 114 | A35 K36 Y211 I230 V232 N236 R237 | A35-E234 WeakPolarHBondContact CB-OE1 3.25Å; K36-E234 PolarHBondContact N-OE1 3.03Å; Y211-E234 HydrophobicContact CE1-CG 3.78Å; Y211-E234 WeakPolarHBondContact OH-CG 3.4Å; Y211-E234 PolarHBondContact OH-OE1 3.13Å; I230-E234 HydrophobicContact CG2-CG 4.37Å; I230-E234 WeakPolarHBondContact O-CB 3.28Å; I230-E234 WeakPolarHBondContact O-CG 3.41Å; I230-E234 PolarHBondContact O-N 3.49Å; V232-E234 VanDerWaalsContact C-N 3.29Å; V232-E234 PolarHBondContact O-N 2.9Å; E234-N236 PolarHBondContact O-N 3.33Å; E234-R237 VanDerWaalsContact CD-NH2 3.33Å; E234-R237 IonicContact OE1-NH2 3.46Å; E234-R237 IonicContact OE2-CZ 3.44Å; E234-R237 IonicContact OE2-NH1 2.69Å; E234-R237 PolarHBondContact OE2-NH1 2.96Å; E234-R237 IonicContact OE2-NH2 3.37Å; E234-R237 PolarHBondContact OE2-NH2 2.67Å |
| 235 | G | 80.7 | Confident | 89.4 | Confident | 66 Ų | 66 | 26.8 Ų | 26.8 | 68% | 0.68 | 16% | 0.158 | S | C | * | . | trans | 64.3 | 1.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 116 | D231 | D231-G235 PolarHBondContact O-N 3.39Š| ||
| 236 | N | 80.1 | Confident | 89.7 | Confident | 55 Ų | 55 | 25.5 Ų | 25.5 | 29% | 0.294 | 15% | 0.149 | S | C | . | . | trans | -106.2 | 22.3 | -178.6 | -165.9 | 21.2 | 0 | 0 | 0 | 112.4 | R139 E234 | R139-N236 PolarHBondContact NH2-O 2.81Å; R139-N236 PolarHBondContact NH2-OD1 3.37Å; E234-N236 PolarHBondContact O-N 3.33Å | ||
| 237 | R | 86 | Confident | 90 | Very high | 36 Ų | 36 | 25.3 Ų | 25.3 | 14% | 0.136 | 15% | 0.147 | C | C | . | . | trans | -87.9 | 145.4 | 179 | -65.8 | -66.5 | -176.7 | -91.6 | -7.5 | 110.9 | G168 R170 D231 E234 Y239 | G168-R237 WeakPolarHBondContact O-CA 3.35Å; G168-R237 VanDerWaalsContact O-CD 3.28Å; G168-R237 WeakPolarHBondContact O-CD 3.45Å; R170-R237 VanDerWaalsContact NH2-NE 3.18Å; D231-R237 HydrophobicContact CB-CG 3.83Å; D231-R237 WeakPolarHBondContact OD1-CD 3.41Å; D231-R237 IonicContact OD1-CZ 2.9Å; D231-R237 IonicContact OD1-NE 3.93Å; D231-R237 PolarHBondContact OD1-NE 3.4Å; D231-R237 IonicContact OD1-NH2 3.69Å; E234-R237 VanDerWaalsContact CD-NH2 3.33Å; E234-R237 IonicContact OE1-NH2 3.46Å; E234-R237 IonicContact OE2-CZ 3.44Å; E234-R237 IonicContact OE2-NH1 2.69Å; E234-R237 PolarHBondContact OE2-NH1 2.96Å; E234-R237 IonicContact OE2-NH2 3.37Å; E234-R237 PolarHBondContact OE2-NH2 2.67Å; R237-Y239 HydrophobicContact CB-CE2 4.07Å | ||
| 238 | V | 88.9 | Confident | 90.2 | Very high | 39 Ų | 39 | 24.7 Ų | 24.7 | 24% | 0.236 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 125.2 | 175.1 | -167.1 | 0 | 0 | 0 | 0 | 108.3 | R139 G168 I169 R170 I240 | R139-V238 HydrophobicContact CB-CG2 4.3Å; R139-V238 HydrophobicContact CG-CG2 4.49Å; G168-V238 PolarHBondContact O-N 3.36Å; I169-V238 CarbonylContact C-O 3.58Å; I169-V238 WeakPolarHBondContact CA-O 3.37Å; R170-V238 PolarHBondContact N-O 3.27Å; V238-I240 HydrophobicContact CB-CD1 4.36Å; V238-I240 HydrophobicContact CB-CG1 4.26Å; V238-I240 HydrophobicContact CG1-CD1 3.82Å; V238-I240 HydrophobicContact CG1-CG1 3.56Å |
| 239 | Y | 91.8 | Very high | 90.4 | Very high | 60 Ų | 60 | 23.5 Ų | 23.5 | 24% | 0.235 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 112.4 | 177.6 | -62.6 | -94.2 | 0 | 0 | 0 | 107.3 | R170 K173 P175 P176 R237 | R170-Y239 HydrophobicContact CB-CD1 3.58Å; R170-Y239 HydrophobicContact CB-CE1 3.79Å; R170-Y239 HydrophobicContact CB-CG 4.29Å; R170-Y239 HydrophobicContact CG-CD1 4.18Å; R170-Y239 HydrophobicContact CG-CE1 3.89Å; R170-Y239 WeakPolarHBondContact O-CA 3.06Å; K173-Y239 HydrophobicContact CB-CD1 4.16Å; K173-Y239 HydrophobicContact CB-CE1 4.45Å; K173-Y239 WeakPolarHBondContact O-CD1 3.36Å; P175-Y239 HydrophobicContact CB-CD2 4.46Å; P175-Y239 HydrophobicContact CB-CE2 4.13Å; P175-Y239 HydrophobicContact CG-CD2 3.83Å; P175-Y239 HydrophobicContact CG-CE2 4Å; P175-Y239 HydrophobicContact CG-CG 4.12Å; P176-Y239 WeakPolarHBondContact CD-OH 2.93Å; R237-Y239 HydrophobicContact CB-CE2 4.07Å |
| 240 | I | 92.5 | Very high | 90.6 | Very high | 4 Ų | 4 | 26.6 Ų | 26.6 | 2% | 0.021 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 128.6 | -173.6 | -50.6 | 179.1 | 0 | 0 | 0 | 108.1 | A138 I144 I169 R170 L171 N172 V238 | A138-I240 WeakPolarHBondContact O-CD1 3.39Å; I144-I240 HydrophobicContact CD1-CB 4.47Å; I144-I240 HydrophobicContact CD1-CD1 4.13Å; I144-I240 HydrophobicContact CD1-CG2 4.27Å; I144-I240 HydrophobicContact CG1-CG2 4.1Å; I169-I240 HydrophobicContact CG1-CD1 4.4Å; I169-I240 HydrophobicContact CG2-CB 4.29Å; I169-I240 HydrophobicContact CG2-CD1 3.9Å; I169-I240 HydrophobicContact CG2-CG1 4.14Å; R170-I240 PolarHBondContact O-N 3.2Å; L171-I240 WeakPolarHBondContact CA-O 3.3Å; N172-I240 PolarHBondContact N-O 3.47Å; N172-I240 VanDerWaalsContact N-O 3.14Å; V238-I240 HydrophobicContact CB-CD1 4.36Å; V238-I240 HydrophobicContact CB-CG1 4.26Å; V238-I240 HydrophobicContact CG1-CD1 3.82Å; V238-I240 HydrophobicContact CG1-CG1 3.56Å |
| 241 | P | 94.6 | Very high | 90.7 | Very high | 37 Ų | 37 | 31.4 Ų | 31.4 | 24% | 0.24 | 17% | 0.173 | C | C | . | . | trans | -60.4 | 148.6 | 169.5 | 23.4 | -30.8 | 0 | 0 | 0 | 110.8 | N142 L143 I144 Y287 | N142-P241 VanDerWaalsContact O-CD 3.28Å; N142-P241 WeakPolarHBondContact O-CD 3.45Å; N142-P241 WeakPolarHBondContact O-CG 3.44Å; L143-P241 HydrophobicContact CD1-CB 4Å; L143-P241 HydrophobicContact CD1-CG 4.14Å; L143-P241 WeakPolarHBondContact CD1-O 3.46Å; I144-P241 PolarHBondContact N-O 3.17Å; P241-Y287 HydrophobicContact CB-CD1 3.8Å | ||
| 242 | C | 95.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 134.4 | -177 | -179.7 | 0 | 0 | 0 | 0 | 111.1 | I144 I146 L171 N172 | I144-C242 CarbonylContact O-C 3.5Å; I144-C242 VanDerWaalsContact O-CA 3.23Å; I144-C242 WeakPolarHBondContact O-CA 3.27Å; I146-C242 WeakPolarHBondContact CD1-SG 3.24Å; I146-C242 VanDerWaalsContact CG1-SG 3.56Å; L171-C242 HydrophobicContact CB-CB 3.94Å; L171-C242 HydrophobicContact CD2-CB 3.78Å; L171-C242 HydrophobicContact CG-CB 4.32Å; N172-C242 PolarHBondContact ND2-O 3.34Å; N172-C242 PolarHBondContact OD1-N 3.18Å; N172-C242 PolarHBondContact OD1-O 2.76Å |
| 243 | I | 96.3 | Very high | 91 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 129.2 | 171.7 | -61.5 | 168 | 0 | 0 | 0 | 108.4 | L143 I144 L145 I146 V245 H265 V267 L280 R283 M284 Y287 | L143-I243 HydrophobicContact CD1-CD1 4.19Å; L143-I243 HydrophobicContact CD1-CG1 4.14Å; L143-I243 HydrophobicContact CD2-CD1 4.06Å; I144-I243 PolarHBondContact O-N 3.1Å; L145-I243 WeakPolarHBondContact CA-O 3.29Å; L145-I243 HydrophobicContact CD2-CB 3.67Å; L145-I243 HydrophobicContact CD2-CD1 4.08Å; L145-I243 HydrophobicContact CD2-CG1 4.31Å; L145-I243 HydrophobicContact CD2-CG2 4.31Å; I146-I243 PolarHBondContact N-O 2.98Å; I243-V245 HydrophobicContact CG2-CG2 4.26Å; I243-H265 CarbonylContact C-O 3.56Å; I243-H265 WeakPolarHBondContact CA-O 3.47Å; I243-V267 HydrophobicContact CG2-CB 4.27Å; I243-V267 HydrophobicContact CG2-CG2 3.7Å; I243-L280 HydrophobicContact CG2-CD1 4.35Å; I243-R283 HydrophobicContact CD1-CB 4.11Å; I243-M284 HydrophobicContact CD1-CG 4.19Å; I243-Y287 HydrophobicContact CD1-CD1 4.23Å; I243-Y287 HydrophobicContact CD1-CD2 4.25Å; I243-Y287 HydrophobicContact CD1-CG 4.02Å; I243-Y287 HydrophobicContact CG1-CD1 3.78Å; I243-Y287 HydrophobicContact CG1-CD2 4.47Å; I243-Y287 HydrophobicContact CG1-CE1 3.94Å; I243-Y287 HydrophobicContact CG1-CG 4.09Å |
| 244 | Y | 95.7 | Very high | 91.1 | Very high | 22 Ų | 22 | 39.2 Ų | 39.2 | 9% | 0.086 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 112.3 | 172 | -60.4 | -76.1 | 0 | 0 | 0 | 108.9 | I146 L148 K157 E161 H265 C266 V267 | I146-Y244 HydrophobicContact CB-CD1 3.99Å; I146-Y244 HydrophobicContact CB-CE1 4.32Å; I146-Y244 HydrophobicContact CD1-CD1 4.34Å; I146-Y244 HydrophobicContact CD1-CE1 3.79Å; I146-Y244 HydrophobicContact CG2-CD1 4.17Å; I146-Y244 HydrophobicContact CG2-CE1 4.46Å; L148-Y244 HydrophobicContact CD1-CD1 4.17Å; K157-Y244 HydrophobicContact CD-CD1 4.37Å; K157-Y244 HydrophobicContact CD-CE1 4.11Å; K157-Y244 HydrophobicContact CG-CD1 4.5Å; K157-Y244 HydrophobicContact CG-CE1 4.06Å; E161-Y244 PolarHBondContact OE1-OH 3.47Å; Y244-H265 HydrophobicContact CD2-CB 4.13Å; Y244-H265 HydrophobicContact CE2-CB 4.38Å; Y244-H265 PolarHBondContact N-O 3.3Å; Y244-C266 CarbonylContact O-C 3.52Å; Y244-C266 WeakPolarHBondContact O-CA 2.97Å; Y244-V267 PolarHBondContact O-N 2.91Å |
| 245 | V | 95.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 104.9 | 179.3 | -178.8 | 0 | 0 | 0 | 0 | 107.7 | L79 L145 I146 V147 L148 I243 N247 V267 I269 L280 | L79-V245 HydrophobicContact CD2-CG1 4.02Å; L145-V245 HydrophobicContact CB-CG2 4.17Å; L145-V245 HydrophobicContact CD2-CG2 4.32Å; I146-V245 PolarHBondContact O-N 3.38Å; V147-V245 HydrophobicContact CG2-CB 4.44Å; L148-V245 PolarHBondContact N-O 3.38Å; I243-V245 HydrophobicContact CG2-CG2 4.26Å; V245-N247 PolarHBondContact O-N 3.04Å; V245-V267 WeakPolarHBondContact CA-O 3.37Å; V245-I269 HydrophobicContact CG1-CD1 3.22Å; V245-I269 HydrophobicContact CG1-CG1 3.51Å; V245-I269 HydrophobicContact CG1-CG2 4.33Å; V245-L280 HydrophobicContact CG2-CD1 3.76Å |
| 246 | L | 95.1 | Very high | 91.8 | Very high | 19 Ų | 19 | 46.9 Ų | 46.9 | 10% | 0.099 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 102.8 | 177.4 | -62.2 | -171.1 | 0 | 0 | 0 | 109.1 | L148 V150 P153 I260 C266 V267 P268 I269 | L148-L246 HydrophobicContact CB-CD2 3.78Å; L148-L246 HydrophobicContact CD1-CD2 3.91Å; L148-L246 HydrophobicContact CG-CD2 4.41Å; V150-L246 HydrophobicContact CB-CB 4.38Å; V150-L246 HydrophobicContact CG2-CB 4.39Å; V150-L246 HydrophobicContact CG2-CD1 4.38Å; P153-L246 HydrophobicContact CB-CD2 3.97Å; L246-I260 HydrophobicContact CD1-CD1 4.31Å; L246-I260 HydrophobicContact CD1-CG1 4.32Å; L246-I260 HydrophobicContact CD1-CG2 3.67Å; L246-C266 WeakPolarHBondContact CD1-SG 3.37Å; L246-C266 WeakPolarHBondContact CG-SG 3.33Å; L246-V267 PolarHBondContact N-O 3.36Å; L246-P268 CarbonylContact O-C 3.38Å; L246-P268 WeakPolarHBondContact O-CA 3.32Å; L246-I269 PolarHBondContact O-N 3.42Å |
| 247 | N | 93.9 | Very high | 92.3 | Very high | 6 Ų | 6 | 46 Ų | 46 | 3% | 0.032 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 164.4 | -179.2 | -166.6 | 24.3 | 0 | 0 | 0 | 111.9 | V74 V147 L148 V150 V245 I269 A271 | V74-N247 PolarHBondContact O-ND2 2.69Å; V147-N247 HydrophobicContact CG1-CB 4.35Å; L148-N247 PolarHBondContact O-N 3.03Å; V150-N247 WeakPolarHBondContact CB-O 3.42Å; V150-N247 WeakPolarHBondContact CG1-O 3.35Å; V150-N247 PolarHBondContact N-O 3.4Å; V245-N247 PolarHBondContact O-N 3.04Å; N247-I269 CarbonylContact C-O 3.6Å; N247-I269 VanDerWaalsContact CA-O 3.31Å; N247-I269 WeakPolarHBondContact CA-O 3.43Å; N247-I269 HydrophobicContact CB-CG1 4.17Å; N247-I269 PolarHBondContact OD1-O 3.33Å; N247-A271 WeakPolarHBondContact OD1-CB 3.45Å; N247-A271 PolarHBondContact OD1-N 3.2Å |
| 248 | K | 92.3 | Very high | 92.5 | Very high | 52 Ų | 52 | 48.8 Ų | 48.8 | 23% | 0.226 | 25% | 0.247 | C | C | . | . | trans | 72.2 | 37.4 | -179.7 | -50.2 | -175 | -172.8 | 168.8 | 0 | 114.3 | S73 D149 V150 D250 Q251 I269 | S73-K248 PolarHBondContact O-NZ 3.38Å; D149-K248 WeakPolarHBondContact OD2-CD 3.43Å; D149-K248 WeakPolarHBondContact OD2-CE 3.3Å; D149-K248 IonicContact OD2-NZ 3.45Å; D149-K248 PolarHBondContact OD2-NZ 2.88Å; V150-K248 HydrophobicContact CG1-CB 4.42Å; V150-K248 WeakPolarHBondContact CG1-O 3.35Å; K248-D250 VanDerWaalsContact CA-OD1 3.31Å; K248-D250 WeakPolarHBondContact CA-OD1 3.36Å; K248-D250 PolarHBondContact O-N 2.86Å; K248-D250 VanDerWaalsContact O-N 3.15Å; K248-Q251 HydrophobicContact CB-CG 4.49Å; K248-Q251 PolarHBondContact O-N 2.77Å; K248-Q251 VanDerWaalsContact O-N 3.1Å; K248-I269 PolarHBondContact N-O 2.83Å | ||
| 249 | I | 93.6 | Very high | 92.5 | Very high | 11 Ų | 11 | 52 Ų | 52 | 6% | 0.056 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -67.8 | -10.1 | 177.4 | 69.3 | 177.3 | 0 | 0 | 0 | 113.5 | Q251 I252 L257 P268 I269 W275 | I249-Q251 PolarHBondContact O-N 2.96Å; I249-Q251 VanDerWaalsContact O-N 3.14Å; I249-I252 HydrophobicContact CB-CD1 4.04Å; I249-I252 HydrophobicContact CB-CG1 4.04Å; I249-I252 HydrophobicContact CG2-CD1 4.1Å; I249-I252 WeakPolarHBondContact O-CG1 3.12Å; I249-I252 PolarHBondContact O-N 3.18Å; I249-L257 HydrophobicContact CD1-CD1 4.37Å; I249-P268 HydrophobicContact CD1-CB 4.45Å; I249-P268 HydrophobicContact CG2-CB 3.74Å; I249-I269 WeakPolarHBondContact CG1-O 3.46Å; I249-I269 WeakPolarHBondContact CG2-O 3.49Å; I249-I269 PolarHBondContact N-O 3.49Å; I249-W275 HydrophobicContact CD1-CB 4.4Å; I249-W275 HydrophobicContact CD1-CE3 4.15Å; I249-W275 HydrophobicContact CG1-CE3 4Å |
| 250 | D | 92.3 | Very high | 92.4 | Very high | 66 Ų | 66 | 50.3 Ų | 50.3 | 35% | 0.353 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -58.9 | -15.5 | 167.3 | 45.2 | -77.1 | 0 | 0 | 0 | 113.5 | K248 S270 W275 | K248-D250 VanDerWaalsContact CA-OD1 3.31Å; K248-D250 WeakPolarHBondContact CA-OD1 3.36Å; K248-D250 PolarHBondContact O-N 2.86Å; K248-D250 VanDerWaalsContact O-N 3.15Å; D250-S270 PolarHBondContact OD1-OG 2.95Å; D250-W275 HydrophobicContact CB-CZ3 4.34Å |
| 251 | Q | 90.8 | Very high | 92.2 | Very high | 104 Ų | 104 | 54 Ų | 54 | 49% | 0.486 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -101.5 | 1 | -178.1 | -53.9 | -174.3 | 11.4 | 0 | 0 | 113.6 | K248 I249 | K248-Q251 HydrophobicContact CB-CG 4.49Å; K248-Q251 PolarHBondContact O-N 2.77Å; K248-Q251 VanDerWaalsContact O-N 3.1Å; I249-Q251 PolarHBondContact O-N 2.96Å; I249-Q251 VanDerWaalsContact O-N 3.14Å |
| 252 | I | 91.2 | Very high | 92 | Very high | 32 Ų | 32 | 60.3 Ų | 60.3 | 16% | 0.164 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -117.9 | 160.4 | 179.6 | 63.8 | 168.2 | 0 | 0 | 0 | 111 | V150 I249 E256 L257 I260 | V150-I252 HydrophobicContact CG1-CG2 3.84Å; V150-I252 HydrophobicContact CG2-CD1 4.22Å; V150-I252 HydrophobicContact CG2-CG2 4.16Å; I249-I252 HydrophobicContact CB-CD1 4.04Å; I249-I252 HydrophobicContact CB-CG1 4.04Å; I249-I252 HydrophobicContact CG2-CD1 4.1Å; I249-I252 WeakPolarHBondContact O-CG1 3.12Å; I249-I252 PolarHBondContact O-N 3.18Å; I252-E256 HydrophobicContact CB-CB 4.27Å; I252-E256 HydrophobicContact CD1-CB 4.5Å; I252-L257 HydrophobicContact CD1-CB 4.2Å; I252-L257 HydrophobicContact CD1-CD1 4.29Å; I252-I260 HydrophobicContact CD1-CD1 3.52Å |
| 253 | S | 92.6 | Very high | 91.7 | Very high | 54 Ų | 54 | 63.6 Ų | 63.6 | 38% | 0.378 | 31% | 0.314 | S | S | . | . | trans | -79.3 | 164.3 | 173.8 | 64.6 | 0 | 0 | 0 | 0 | 112.3 | E255 E256 L257 | S253-E255 VanDerWaalsContact C-N 3.3Å; S253-E255 PolarHBondContact O-N 3.37Å; S253-E256 WeakPolarHBondContact CB-OE2 3.13Å; S253-E256 PolarHBondContact N-OE2 2.92Å; S253-E256 PolarHBondContact O-N 3.16Å; S253-E256 VanDerWaalsContact OG-CD 3.31Å; S253-E256 VanDerWaalsContact OG-CG 3.3Å; S253-E256 WeakPolarHBondContact OG-CG 3.23Å; S253-E256 PolarHBondContact OG-N 2.78Å; S253-E256 PolarHBondContact OG-OE2 3.04Å; S253-L257 PolarHBondContact O-N 3.06Å; S253-L257 VanDerWaalsContact O-N 3.11Å | ||
| 254 | I | 89.9 | Confident | 91.5 | Very high | 135 Ų | 135 | 67.9 Ų | 67.9 | 69% | 0.692 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -64.2 | -36.1 | 176.9 | -60.2 | 171.8 | 0 | 0 | 0 | 111 | E256 L257 D258 | I254-E256 VanDerWaalsContact C-N 3.35Å; I254-E256 PolarHBondContact O-N 3.35Å; I254-L257 WeakPolarHBondContact O-CB 3.39Å; I254-L257 PolarHBondContact O-N 3.15Å; I254-D258 PolarHBondContact O-N 2.79Å; I254-D258 VanDerWaalsContact O-N 3.12Å |
| 255 | E | 90.8 | Very high | 91.4 | Very high | 155 Ų | 155 | 69.9 Ų | 69.9 | 72% | 0.724 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -64.8 | -38.9 | 178.3 | -62.4 | 178.2 | -176.1 | 0 | 0 | 112 | S253 L257 D258 I259 | S253-E255 VanDerWaalsContact C-N 3.3Å; S253-E255 PolarHBondContact O-N 3.37Å; E255-L257 VanDerWaalsContact C-N 3.35Å; E255-D258 PolarHBondContact O-N 3Å; E255-I259 PolarHBondContact O-N 2.99Å |
| 256 | E | 89.4 | Confident | 91.3 | Very high | 97 Ų | 97 | 70 Ų | 70 | 45% | 0.453 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -68.1 | -36.2 | 174.4 | -70.5 | 166.9 | 131.5 | 0 | 0 | 111.7 | I252 S253 I254 D258 I259 I260 | I252-E256 HydrophobicContact CB-CB 4.27Å; I252-E256 HydrophobicContact CD1-CB 4.5Å; S253-E256 WeakPolarHBondContact CB-OE2 3.13Å; S253-E256 PolarHBondContact N-OE2 2.92Å; S253-E256 PolarHBondContact O-N 3.16Å; S253-E256 VanDerWaalsContact OG-CD 3.31Å; S253-E256 VanDerWaalsContact OG-CG 3.3Å; S253-E256 WeakPolarHBondContact OG-CG 3.23Å; S253-E256 PolarHBondContact OG-N 2.78Å; S253-E256 PolarHBondContact OG-OE2 3.04Å; I254-E256 VanDerWaalsContact C-N 3.35Å; I254-E256 PolarHBondContact O-N 3.35Å; E256-D258 VanDerWaalsContact C-N 3.34Å; E256-D258 PolarHBondContact O-N 3.4Å; E256-I259 PolarHBondContact O-N 3.48Å; E256-I260 WeakPolarHBondContact O-CG1 3.36Å; E256-I260 PolarHBondContact O-N 3.02Å; E256-I260 VanDerWaalsContact O-N 3.1Å |
| 257 | L | 90.2 | Very high | 91.3 | Very high | 35 Ų | 35 | 69.1 Ų | 69.1 | 18% | 0.183 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60.8 | -42.4 | 176 | -177.2 | 64.1 | 0 | 0 | 0 | 111.7 | I249 I252 S253 I254 E255 I259 I260 Y261 P268 | I249-L257 HydrophobicContact CD1-CD1 4.37Å; I252-L257 HydrophobicContact CD1-CB 4.2Å; I252-L257 HydrophobicContact CD1-CD1 4.29Å; S253-L257 PolarHBondContact O-N 3.06Å; S253-L257 VanDerWaalsContact O-N 3.11Å; I254-L257 WeakPolarHBondContact O-CB 3.39Å; I254-L257 PolarHBondContact O-N 3.15Å; E255-L257 VanDerWaalsContact C-N 3.35Å; L257-I259 VanDerWaalsContact C-N 3.28Å; L257-I259 PolarHBondContact O-N 2.81Å; L257-I260 WeakPolarHBondContact O-CB 3.39Å; L257-I260 PolarHBondContact O-N 3.17Å; L257-I260 VanDerWaalsContact O-N 3.1Å; L257-Y261 HydrophobicContact CD1-CD2 4.34Å; L257-Y261 HydrophobicContact CD1-CE2 3.88Å; L257-Y261 HydrophobicContact CD2-CE2 4.31Å; L257-Y261 HydrophobicContact CG-CD2 4.14Å; L257-Y261 HydrophobicContact CG-CE2 3.8Å; L257-Y261 VanDerWaalsContact O-CD2 3.29Å; L257-Y261 WeakPolarHBondContact O-CD2 3.36Å; L257-Y261 PolarHBondContact O-N 3.45Å; L257-Y261 VanDerWaalsContact O-N 3.13Å; L257-P268 HydrophobicContact CD1-CB 3.35Å; L257-P268 HydrophobicContact CD1-CG 3.45Å; L257-P268 VanDerWaalsContact CD1-CG 3.45Å |
| 258 | D | 88.9 | Confident | 91.3 | Very high | 96 Ų | 96 | 68.8 Ų | 68.8 | 51% | 0.513 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.7 | -33.7 | 177 | -75.2 | -18.3 | 0 | 0 | 0 | 112.9 | I254 E255 E256 | I254-D258 PolarHBondContact O-N 2.79Å; I254-D258 VanDerWaalsContact O-N 3.12Å; E255-D258 PolarHBondContact O-N 3Å; E256-D258 VanDerWaalsContact C-N 3.34Å; E256-D258 PolarHBondContact O-N 3.4Å |
| 259 | I | 89.7 | Confident | 91.4 | Very high | 107 Ų | 107 | 66.3 Ų | 66.3 | 55% | 0.549 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -68.7 | -40.2 | 174.5 | -64.8 | 161.8 | 0 | 0 | 0 | 110.3 | E255 E256 L257 Y261 K262 | E255-I259 PolarHBondContact O-N 2.99Å; E256-I259 PolarHBondContact O-N 3.48Å; L257-I259 VanDerWaalsContact C-N 3.28Å; L257-I259 PolarHBondContact O-N 2.81Å; I259-Y261 VanDerWaalsContact C-N 3.32Å; I259-Y261 PolarHBondContact O-N 3.43Å; I259-K262 WeakPolarHBondContact O-CB 3.41Å; I259-K262 PolarHBondContact O-N 3.37Å; I259-K262 VanDerWaalsContact O-N 3.15Å |
| 260 | I | 89.3 | Confident | 91.5 | Very high | 23 Ų | 23 | 65.9 Ų | 65.9 | 12% | 0.118 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.2 | -39.1 | 179.2 | -71.5 | 168 | 0 | 0 | 0 | 111.5 | V150 L246 I252 E256 L257 K262 V263 P268 | V150-I260 HydrophobicContact CG2-CD1 3.59Å; L246-I260 HydrophobicContact CD1-CD1 4.31Å; L246-I260 HydrophobicContact CD1-CG1 4.32Å; L246-I260 HydrophobicContact CD1-CG2 3.67Å; I252-I260 HydrophobicContact CD1-CD1 3.52Å; E256-I260 WeakPolarHBondContact O-CG1 3.36Å; E256-I260 PolarHBondContact O-N 3.02Å; E256-I260 VanDerWaalsContact O-N 3.1Å; L257-I260 WeakPolarHBondContact O-CB 3.39Å; L257-I260 PolarHBondContact O-N 3.17Å; L257-I260 VanDerWaalsContact O-N 3.1Å; I260-K262 PolarHBondContact O-N 3.06Å; I260-V263 WeakPolarHBondContact O-CB 3.45Å; I260-V263 PolarHBondContact O-N 3.37Å; I260-P268 HydrophobicContact CG2-CB 4.01Å; I260-P268 HydrophobicContact CG2-CG 4.12Å |
| 261 | Y | 88.9 | Confident | 91.3 | Very high | 83 Ų | 83 | 62.8 Ų | 62.8 | 33% | 0.325 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.3 | -22.1 | 177.6 | -85.5 | -72.9 | 0 | 0 | 0 | 114 | L257 I259 V263 P268 N276 | L257-Y261 HydrophobicContact CD1-CD2 4.34Å; L257-Y261 HydrophobicContact CD1-CE2 3.88Å; L257-Y261 HydrophobicContact CD2-CE2 4.31Å; L257-Y261 HydrophobicContact CG-CD2 4.14Å; L257-Y261 HydrophobicContact CG-CE2 3.8Å; L257-Y261 VanDerWaalsContact O-CD2 3.29Å; L257-Y261 WeakPolarHBondContact O-CD2 3.36Å; L257-Y261 PolarHBondContact O-N 3.45Å; L257-Y261 VanDerWaalsContact O-N 3.13Å; I259-Y261 VanDerWaalsContact C-N 3.32Å; I259-Y261 PolarHBondContact O-N 3.43Å; Y261-V263 VanDerWaalsContact C-N 3.26Å; Y261-V263 PolarHBondContact O-N 2.61Å; Y261-P268 HydrophobicContact CD1-CG 4.36Å; Y261-P268 HydrophobicContact CD2-CG 4.09Å; Y261-P268 HydrophobicContact CE1-CG 3.87Å; Y261-P268 HydrophobicContact CE2-CG 3.55Å; Y261-P268 HydrophobicContact CG-CG 4.46Å; Y261-P268 VanDerWaalsContact CZ-CG 3.43Å; Y261-N276 PolarHBondContact OH-ND2 2.91Å |
| 262 | K | 90.2 | Very high | 91.2 | Very high | 169 Ų | 169 | 64.9 Ų | 64.9 | 74% | 0.735 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -17.1 | 174.7 | -60.7 | 173.6 | -175.1 | 172.5 | 0 | 112.6 | I259 I260 | I259-K262 WeakPolarHBondContact O-CB 3.41Å; I259-K262 PolarHBondContact O-N 3.37Å; I259-K262 VanDerWaalsContact O-N 3.15Å; I260-K262 PolarHBondContact O-N 3.06Å |
| 263 | V | 89.4 | Confident | 91.1 | Very high | 68 Ų | 68 | 67.8 Ų | 67.8 | 41% | 0.412 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -76.6 | 126.4 | 178.8 | -176.5 | 0 | 0 | 0 | 0 | 109.3 | I260 Y261 C266 | I260-V263 WeakPolarHBondContact O-CB 3.45Å; I260-V263 PolarHBondContact O-N 3.37Å; Y261-V263 VanDerWaalsContact C-N 3.26Å; Y261-V263 PolarHBondContact O-N 2.61Å; V263-C266 HydrophobicContact CB-CB 3.99Å; V263-C266 HydrophobicContact CG1-CB 4.12Å; V263-C266 WeakPolarHBondContact O-CB 3.37Å |
| 264 | P | 91.5 | Very high | 90.9 | Very high | 91 Ų | 91 | 71.9 Ų | 71.9 | 59% | 0.591 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | 149.4 | -177.9 | 28.5 | -36.1 | 0 | 0 | 0 | 111.4 | C266 | P264-C266 PolarHBondContact O-N 2.72Å; P264-C266 VanDerWaalsContact O-N 3.1Å |
| 265 | H | 92.9 | Very high | 91 | Very high | 64 Ų | 64 | 71.5 Ų | 71.5 | 30% | 0.296 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 18.6 | 178.8 | -44 | -73 | 0 | 0 | 0 | 114.5 | I243 Y244 Y287 | I243-H265 CarbonylContact C-O 3.56Å; I243-H265 WeakPolarHBondContact CA-O 3.47Å; Y244-H265 HydrophobicContact CD2-CB 4.13Å; Y244-H265 HydrophobicContact CE2-CB 4.38Å; Y244-H265 PolarHBondContact N-O 3.3Å; H265-Y287 AromaticContact ND1-CE1 3.46Å; H265-Y287 WeakPolarHBondContact ND1-CE1 3.43Å; H265-Y287 AromaticContact ND1-CZ 3.46Å; H265-Y287 PolarHBondContact ND1-OH 2.95Å |
| 266 | C | 93.5 | Very high | 91 | Very high | 3 Ų | 3 | 66.1 Ų | 66.1 | 2% | 0.02 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 136.8 | -176.8 | -172.9 | 0 | 0 | 0 | 0 | 111.6 | Y244 L246 V263 P264 R283 | Y244-C266 CarbonylContact O-C 3.52Å; Y244-C266 WeakPolarHBondContact O-CA 2.97Å; L246-C266 WeakPolarHBondContact CD1-SG 3.37Å; L246-C266 WeakPolarHBondContact CG-SG 3.33Å; V263-C266 HydrophobicContact CB-CB 3.99Å; V263-C266 HydrophobicContact CG1-CB 4.12Å; V263-C266 WeakPolarHBondContact O-CB 3.37Å; P264-C266 PolarHBondContact O-N 2.72Å; P264-C266 VanDerWaalsContact O-N 3.1Å; C266-R283 PolarHBondContact O-NH1 3.32Å |
| 267 | V | 94.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 111.1 | 171.3 | -176.7 | 0 | 0 | 0 | 0 | 109.3 | I243 Y244 V245 L246 I269 L280 R283 | I243-V267 HydrophobicContact CG2-CB 4.27Å; I243-V267 HydrophobicContact CG2-CG2 3.7Å; Y244-V267 PolarHBondContact O-N 2.91Å; V245-V267 WeakPolarHBondContact CA-O 3.37Å; L246-V267 PolarHBondContact N-O 3.36Å; V267-I269 HydrophobicContact CG1-CG2 3.87Å; V267-L280 HydrophobicContact CB-CD1 4.22Å; V267-L280 HydrophobicContact CG1-CB 4.02Å; V267-L280 HydrophobicContact CG1-CD1 4.24Å; V267-L280 HydrophobicContact CG2-CD1 4.36Å; V267-R283 HydrophobicContact CG2-CB 4.26Å; V267-R283 HydrophobicContact CG2-CG 4.15Å |
| 268 | P | 95.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 130.5 | 173 | 26.6 | -27.6 | 0 | 0 | 0 | 110.8 | L246 I249 L257 I260 Y261 N276 | L246-P268 CarbonylContact O-C 3.38Å; L246-P268 WeakPolarHBondContact O-CA 3.32Å; I249-P268 HydrophobicContact CD1-CB 4.45Å; I249-P268 HydrophobicContact CG2-CB 3.74Å; L257-P268 HydrophobicContact CD1-CB 3.35Å; L257-P268 HydrophobicContact CD1-CG 3.45Å; L257-P268 VanDerWaalsContact CD1-CG 3.45Å; I260-P268 HydrophobicContact CG2-CB 4.01Å; I260-P268 HydrophobicContact CG2-CG 4.12Å; Y261-P268 HydrophobicContact CD1-CG 4.36Å; Y261-P268 HydrophobicContact CD2-CG 4.09Å; Y261-P268 HydrophobicContact CE1-CG 3.87Å; Y261-P268 HydrophobicContact CE2-CG 3.55Å; Y261-P268 HydrophobicContact CG-CG 4.46Å; Y261-P268 VanDerWaalsContact CZ-CG 3.43Å; P268-N276 WeakPolarHBondContact O-CB 3.14Å; P268-N276 PolarHBondContact O-ND2 3.42Å |
| 269 | I | 95 | Very high | 91.3 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 159.5 | 179 | 67.3 | 162.4 | 0 | 0 | 0 | 112.4 | L79 V245 L246 N247 K248 I249 V267 N276 F277 L280 | L79-I269 HydrophobicContact CD1-CD1 3.57Å; L79-I269 HydrophobicContact CD2-CD1 3.78Å; L79-I269 HydrophobicContact CG-CD1 4.23Å; V245-I269 HydrophobicContact CG1-CD1 3.22Å; V245-I269 HydrophobicContact CG1-CG1 3.51Å; V245-I269 HydrophobicContact CG1-CG2 4.33Å; L246-I269 PolarHBondContact O-N 3.42Å; N247-I269 CarbonylContact C-O 3.6Å; N247-I269 VanDerWaalsContact CA-O 3.31Å; N247-I269 WeakPolarHBondContact CA-O 3.43Å; N247-I269 HydrophobicContact CB-CG1 4.17Å; N247-I269 PolarHBondContact OD1-O 3.33Å; K248-I269 PolarHBondContact N-O 2.83Å; I249-I269 WeakPolarHBondContact CG1-O 3.46Å; I249-I269 WeakPolarHBondContact CG2-O 3.49Å; I249-I269 PolarHBondContact N-O 3.49Å; V267-I269 HydrophobicContact CG1-CG2 3.87Å; I269-N276 HydrophobicContact CG2-CB 4.16Å; I269-F277 HydrophobicContact CD1-CE1 4.33Å; I269-L280 HydrophobicContact CG2-CB 4.45Å; I269-L280 HydrophobicContact CG2-CD2 4.5Å |
| 270 | S | 94.2 | Very high | 91.5 | Very high | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.007 | 27% | 0.27 | C | S | . | . | B | Isolated β-bridge | trans | -118.3 | 107.1 | 159.7 | -177.4 | 0 | 0 | 0 | 0 | 109 | D250 H272 H273 R274 W275 | D250-S270 PolarHBondContact OD1-OG 2.95Å; S270-H272 PolarHBondContact O-N 3.28Å; S270-H273 PolarHBondContact O-N 3.41Å; S270-H273 PolarHBondContact OG-N 3.37Å; S270-R274 VanDerWaalsContact O-CA 3.28Å; S270-R274 WeakPolarHBondContact O-CA 3.31Å; S270-R274 PolarHBondContact O-N 3.44Å; S270-W275 PolarHBondContact N-O 2.92Å; S270-W275 PolarHBondContact O-N 2.94Å |
| 271 | A | 88.9 | Confident | 91.6 | Very high | 2 Ų | 2 | 56.4 Ų | 56.4 | 2% | 0.017 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -26.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | T78 L79 N82 N247 | T78-A271 HydrophobicContact CG2-CB 4.29Å; L79-A271 HydrophobicContact CB-CB 4.33Å; N82-A271 PolarHBondContact ND2-O 2.96Å; N247-A271 WeakPolarHBondContact OD1-CB 3.45Å; N247-A271 PolarHBondContact OD1-N 3.2Å |
| 272 | H | 87.9 | Confident | 91.8 | Very high | 148 Ų | 148 | 57.1 Ų | 57.1 | 69% | 0.685 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -47.8 | 178.4 | -172.8 | -96.1 | 0 | 0 | 0 | 111.4 | S270 | S270-H272 PolarHBondContact O-N 3.28Š|
| 273 | H | 89.2 | Confident | 92 | Very high | 93 Ų | 93 | 51.8 Ų | 51.8 | 43% | 0.431 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89 | -4.7 | -178.8 | -64.6 | -75.8 | 0 | 0 | 0 | 114.3 | S270 W275 | S270-H273 PolarHBondContact O-N 3.41Å; S270-H273 PolarHBondContact OG-N 3.37Å; H273-W275 VanDerWaalsContact C-N 3.3Å; H273-W275 HydrophobicContact CB-CD2 3.88Å; H273-W275 HydrophobicContact CB-CG 4.04Å; H273-W275 HydrophobicContact CB-CZ2 4.05Å; H273-W275 PolarHBondContact O-N 3.17Å |
| 274 | R | 89 | Confident | 92.2 | Very high | 139 Ų | 139 | 48.6 Ų | 48.6 | 53% | 0.525 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.5 | 33.8 | -177.1 | -55.9 | 177.8 | 176.4 | 178.6 | -2.7 | 113.9 | N82 S270 | N82-R274 PolarHBondContact OD1-NE 3.35Å; N82-R274 PolarHBondContact OD1-NH2 3.44Å; S270-R274 VanDerWaalsContact O-CA 3.28Å; S270-R274 WeakPolarHBondContact O-CA 3.31Å; S270-R274 PolarHBondContact O-N 3.44Å |
| 275 | W | 92 | Very high | 92.3 | Very high | 128 Ų | 128 | 44.9 Ų | 44.9 | 49% | 0.485 | 20% | 0.201 | S | C | . | . | B | Isolated β-bridge | trans | -79 | 140.9 | 176.2 | -61.4 | -16.4 | 0 | 0 | 0 | 111.3 | I249 D250 S270 H273 F277 | I249-W275 HydrophobicContact CD1-CB 4.4Å; I249-W275 HydrophobicContact CD1-CE3 4.15Å; I249-W275 HydrophobicContact CG1-CE3 4Å; D250-W275 HydrophobicContact CB-CZ3 4.34Å; S270-W275 PolarHBondContact N-O 2.92Å; S270-W275 PolarHBondContact O-N 2.94Å; H273-W275 VanDerWaalsContact C-N 3.3Å; H273-W275 HydrophobicContact CB-CD2 3.88Å; H273-W275 HydrophobicContact CB-CG 4.04Å; H273-W275 HydrophobicContact CB-CZ2 4.05Å; H273-W275 PolarHBondContact O-N 3.17Å; W275-F277 VanDerWaalsContact C-N 3.29Å; W275-F277 WeakPolarHBondContact O-CD1 3.42Å; W275-F277 PolarHBondContact O-N 3.41Å |
| 276 | N | 91.5 | Very high | 92.3 | Very high | 41 Ų | 41 | 46.2 Ų | 46.2 | 22% | 0.219 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61 | 28.1 | 175.5 | -60.4 | -8.2 | 0 | 0 | 0 | 115.3 | Y261 P268 I269 D278 L280 | Y261-N276 PolarHBondContact OH-ND2 2.91Å; P268-N276 WeakPolarHBondContact O-CB 3.14Å; P268-N276 PolarHBondContact O-ND2 3.42Å; I269-N276 HydrophobicContact CG2-CB 4.16Å; N276-D278 VanDerWaalsContact C-N 3.34Å; N276-D278 WeakPolarHBondContact CA-OD1 3.14Å; N276-L280 WeakPolarHBondContact O-CB 3.39Å; N276-L280 PolarHBondContact O-N 3.42Å; N276-L280 VanDerWaalsContact O-N 3.1Å |
| 277 | F | 90.9 | Very high | 92.3 | Very high | 11 Ų | 11 | 48.8 Ų | 48.8 | 5% | 0.048 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -73.2 | -31.7 | 175.6 | -86.1 | 40.3 | 0 | 0 | 0 | 111.9 | L79 N82 L83 I269 W275 L281 | L79-F277 HydrophobicContact CD1-CE1 3.81Å; L79-F277 HydrophobicContact CD1-CE2 3.83Å; L79-F277 HydrophobicContact CD1-CZ 3.37Å; N82-F277 HydrophobicContact CB-CE2 3.56Å; N82-F277 HydrophobicContact CB-CZ 4.08Å; L83-F277 HydrophobicContact CD2-CD2 3.62Å; L83-F277 HydrophobicContact CD2-CE2 4.04Å; L83-F277 HydrophobicContact CD2-CG 4.36Å; L83-F277 HydrophobicContact CG-CD2 4.15Å; L83-F277 HydrophobicContact CG-CE2 4.03Å; I269-F277 HydrophobicContact CD1-CE1 4.33Å; W275-F277 VanDerWaalsContact C-N 3.29Å; W275-F277 WeakPolarHBondContact O-CD1 3.42Å; W275-F277 PolarHBondContact O-N 3.41Å; F277-L281 WeakPolarHBondContact O-CB 3.3Å; F277-L281 VanDerWaalsContact O-CG 3.27Å; F277-L281 WeakPolarHBondContact O-CG 3.48Å; F277-L281 PolarHBondContact O-N 3.16Å |
| 278 | D | 90.9 | Very high | 92.2 | Very high | 107 Ų | 107 | 49.3 Ų | 49.3 | 57% | 0.572 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -60.7 | -53.3 | 170.7 | 52.1 | -19 | 0 | 0 | 0 | 111.9 | N276 L280 L281 E282 | N276-D278 VanDerWaalsContact C-N 3.34Å; N276-D278 WeakPolarHBondContact CA-OD1 3.14Å; D278-L280 VanDerWaalsContact C-N 3.31Å; D278-L280 PolarHBondContact O-N 2.89Å; D278-L281 PolarHBondContact O-N 3.38Å; D278-L281 VanDerWaalsContact O-N 3.16Å; D278-E282 PolarHBondContact O-N 2.79Å |
| 279 | D | 92.4 | Very high | 92 | Very high | 34 Ų | 34 | 54.9 Ų | 54.9 | 18% | 0.182 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.5 | -42.2 | 175.6 | -179.1 | 39.8 | 0 | 0 | 0 | 110.9 | L281 E282 R283 | D279-L281 PolarHBondContact O-N 2.91Å; D279-E282 PolarHBondContact O-N 3.1Å; D279-R283 WeakPolarHBondContact O-CB 3.41Å; D279-R283 VanDerWaalsContact O-CG 3.32Å; D279-R283 WeakPolarHBondContact O-CG 3.42Å; D279-R283 PolarHBondContact O-N 2.8Å; D279-R283 IonicContact OD1-NE 3.53Å; D279-R283 IonicContact OD2-NE 3.07Å |
| 280 | L | 93.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.1 | -45.9 | 175.4 | -179.4 | 61.5 | 0 | 0 | 0 | 112.2 | L79 L83 L145 I243 V245 V267 I269 N276 D278 M284 | L79-L280 HydrophobicContact CD1-CD2 4.14Å; L79-L280 HydrophobicContact CD2-CD2 4.45Å; L83-L280 HydrophobicContact CD1-CD2 4.26Å; L145-L280 HydrophobicContact CD2-CD1 4.49Å; I243-L280 HydrophobicContact CG2-CD1 4.35Å; V245-L280 HydrophobicContact CG2-CD1 3.76Å; V267-L280 HydrophobicContact CB-CD1 4.22Å; V267-L280 HydrophobicContact CG1-CB 4.02Å; V267-L280 HydrophobicContact CG1-CD1 4.24Å; V267-L280 HydrophobicContact CG2-CD1 4.36Å; I269-L280 HydrophobicContact CG2-CB 4.45Å; I269-L280 HydrophobicContact CG2-CD2 4.5Å; N276-L280 WeakPolarHBondContact O-CB 3.39Å; N276-L280 PolarHBondContact O-N 3.42Å; N276-L280 VanDerWaalsContact O-N 3.1Å; D278-L280 VanDerWaalsContact C-N 3.31Å; D278-L280 PolarHBondContact O-N 2.89Å; L280-M284 HydrophobicContact CD1-CG 4.39Å; L280-M284 HydrophobicContact CD1-SD 4.36Å; L280-M284 HydrophobicContact CG-SD 4.01Å; L280-M284 WeakPolarHBondContact O-CB 3.11Å; L280-M284 WeakPolarHBondContact O-CG 3.4Å; L280-M284 PolarHBondContact O-N 3.09Å |
| 281 | L | 92.4 | Very high | 91.8 | Very high | 2 Ų | 2 | 56.1 Ų | 56.1 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -68.1 | -39.1 | 179.9 | -75.6 | 170.4 | 0 | 0 | 0 | 112.5 | L83 Y87 I105 Y107 F277 D278 D279 M284 W285 | L83-L281 HydrophobicContact CD2-CD1 4.47Å; L83-L281 HydrophobicContact CD2-CD2 4.21Å; L83-L281 HydrophobicContact CD2-CG 4.27Å; Y87-L281 HydrophobicContact CD1-CD1 4.27Å; Y87-L281 HydrophobicContact CD2-CD1 3.86Å; Y87-L281 HydrophobicContact CE1-CD1 3.8Å; Y87-L281 HydrophobicContact CE2-CD1 3.35Å; Y87-L281 HydrophobicContact CG-CD1 4.29Å; I105-L281 HydrophobicContact CD1-CD2 3.75Å; Y107-L281 HydrophobicContact CD2-CB 4.16Å; Y107-L281 HydrophobicContact CD2-CD1 4.19Å; Y107-L281 HydrophobicContact CD2-CD2 4.45Å; Y107-L281 HydrophobicContact CE2-CB 3.71Å; Y107-L281 HydrophobicContact CE2-CD1 4.14Å; Y107-L281 HydrophobicContact CE2-CG 4.44Å; F277-L281 WeakPolarHBondContact O-CB 3.3Å; F277-L281 VanDerWaalsContact O-CG 3.27Å; F277-L281 WeakPolarHBondContact O-CG 3.48Å; F277-L281 PolarHBondContact O-N 3.16Å; D278-L281 PolarHBondContact O-N 3.38Å; D278-L281 VanDerWaalsContact O-N 3.16Å; D279-L281 PolarHBondContact O-N 2.91Å; L281-M284 HydrophobicContact CD2-CE 4.48Å; L281-M284 HydrophobicContact CD2-SD 4.29Å; L281-M284 WeakPolarHBondContact O-CB 3.34Å; L281-M284 PolarHBondContact O-N 3.4Å; L281-W285 PolarHBondContact O-N 2.9Å |
| 282 | E | 92.7 | Very high | 92 | Very high | 99 Ų | 99 | 57 Ų | 57 | 46% | 0.463 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.3 | -47.6 | 176 | -175.2 | 161.4 | -146.5 | 0 | 0 | 110.9 | D278 D279 M284 W285 D286 | D278-E282 PolarHBondContact O-N 2.79Å; D279-E282 PolarHBondContact O-N 3.1Å; E282-M284 VanDerWaalsContact C-N 3.32Å; E282-M284 PolarHBondContact O-N 2.99Å; E282-W285 VanDerWaalsContact O-CB 3.3Å; E282-W285 WeakPolarHBondContact O-CB 3.32Å; E282-W285 PolarHBondContact O-N 2.81Å; E282-W285 VanDerWaalsContact O-N 3.1Å; E282-D286 PolarHBondContact O-N 3.1Å |
| 283 | R | 94.1 | Very high | 92.2 | Very high | 56 Ų | 56 | 50 Ų | 50 | 21% | 0.211 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.4 | -37 | 174.4 | -67.6 | -146.1 | -166.3 | -174.9 | -5.5 | 113.1 | I243 C266 V267 D279 W285 D286 Y287 | I243-R283 HydrophobicContact CD1-CB 4.11Å; C266-R283 PolarHBondContact O-NH1 3.32Å; V267-R283 HydrophobicContact CG2-CB 4.26Å; V267-R283 HydrophobicContact CG2-CG 4.15Å; D279-R283 WeakPolarHBondContact O-CB 3.41Å; D279-R283 VanDerWaalsContact O-CG 3.32Å; D279-R283 WeakPolarHBondContact O-CG 3.42Å; D279-R283 PolarHBondContact O-N 2.8Å; D279-R283 IonicContact OD1-NE 3.53Å; D279-R283 IonicContact OD2-NE 3.07Å; R283-W285 VanDerWaalsContact C-N 3.29Å; R283-W285 PolarHBondContact O-N 2.86Å; R283-D286 PolarHBondContact O-N 2.9Å; R283-Y287 WeakPolarHBondContact O-CD2 3.38Å; R283-Y287 PolarHBondContact O-N 2.92Å |
| 284 | M | 94.1 | Very high | 92.5 | Very high | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.3 | -43.3 | 173.3 | -78.3 | 170.3 | 58.8 | 0 | 0 | 111.1 | V66 L114 L143 L145 I243 L280 L281 E282 Y287 L288 | V66-M284 HydrophobicContact CB-CE 4.35Å; V66-M284 HydrophobicContact CG1-CE 4.01Å; V66-M284 HydrophobicContact CG2-CE 3.95Å; L114-M284 HydrophobicContact CD2-CE 4.21Å; L143-M284 HydrophobicContact CD2-CB 4Å; L143-M284 HydrophobicContact CD2-CG 3.84Å; L145-M284 HydrophobicContact CD1-CE 4.37Å; L145-M284 HydrophobicContact CD1-CG 4.4Å; L145-M284 HydrophobicContact CD1-SD 3.81Å; L145-M284 HydrophobicContact CD2-CG 4.11Å; I243-M284 HydrophobicContact CD1-CG 4.19Å; L280-M284 HydrophobicContact CD1-CG 4.39Å; L280-M284 HydrophobicContact CD1-SD 4.36Å; L280-M284 HydrophobicContact CG-SD 4.01Å; L280-M284 WeakPolarHBondContact O-CB 3.11Å; L280-M284 WeakPolarHBondContact O-CG 3.4Å; L280-M284 PolarHBondContact O-N 3.09Å; L281-M284 HydrophobicContact CD2-CE 4.48Å; L281-M284 HydrophobicContact CD2-SD 4.29Å; L281-M284 WeakPolarHBondContact O-CB 3.34Å; L281-M284 PolarHBondContact O-N 3.4Å; E282-M284 VanDerWaalsContact C-N 3.32Å; E282-M284 PolarHBondContact O-N 2.99Å; M284-Y287 PolarHBondContact O-N 3.47Å; M284-L288 WeakPolarHBondContact O-CB 3.27Å; M284-L288 WeakPolarHBondContact O-CG 3.46Å; M284-L288 PolarHBondContact O-N 3.38Å |
| 285 | W | 93.3 | Very high | 92.7 | Very high | 14 Ų | 14 | 42 Ų | 42 | 5% | 0.053 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.2 | -48.6 | 177 | -178.6 | -96.8 | 0 | 0 | 0 | 112.1 | Y107 K108 A110 L281 E282 R283 Y287 L288 K289 L290 R292 | Y107-W285 HydrophobicContact CD1-CB 4.13Å; Y107-W285 HydrophobicContact CD1-CD2 4.25Å; Y107-W285 AromaticContact CD1-CE3 3.84Å; Y107-W285 HydrophobicContact CD1-CE3 3.84Å; Y107-W285 HydrophobicContact CD1-CG 4.4Å; Y107-W285 HydrophobicContact CE1-CB 3.75Å; Y107-W285 HydrophobicContact CE1-CD2 4.37Å; Y107-W285 HydrophobicContact CE1-CE3 4.41Å; Y107-W285 HydrophobicContact CE1-CG 4.11Å; K108-W285 HydrophobicContact CB-CD2 4.41Å; K108-W285 HydrophobicContact CB-CE3 4.28Å; K108-W285 HydrophobicContact CB-CH2 4.01Å; K108-W285 HydrophobicContact CB-CZ2 4.16Å; K108-W285 HydrophobicContact CB-CZ3 4.07Å; K108-W285 HydrophobicContact CD-CD2 3.81Å; K108-W285 HydrophobicContact CD-CE3 4.44Å; K108-W285 HydrophobicContact CD-CG 3.97Å; K108-W285 HydrophobicContact CD-CZ2 4.3Å; A110-W285 HydrophobicContact CB-CH2 4.06Å; A110-W285 HydrophobicContact CB-CZ3 3.67Å; L281-W285 PolarHBondContact O-N 2.9Å; E282-W285 VanDerWaalsContact O-CB 3.3Å; E282-W285 WeakPolarHBondContact O-CB 3.32Å; E282-W285 PolarHBondContact O-N 2.81Å; E282-W285 VanDerWaalsContact O-N 3.1Å; R283-W285 VanDerWaalsContact C-N 3.29Å; R283-W285 PolarHBondContact O-N 2.86Å; W285-Y287 VanDerWaalsContact C-N 3.29Å; W285-Y287 PolarHBondContact O-N 2.86Å; W285-L288 PolarHBondContact O-N 2.89Å; W285-K289 PolarHBondContact O-N 3.45Å; W285-L290 HydrophobicContact CE3-CD1 4.44Å; W285-L290 HydrophobicContact CH2-CB 4.01Å; W285-L290 HydrophobicContact CH2-CD1 4.4Å; W285-L290 HydrophobicContact CZ2-CB 4.4Å; W285-L290 HydrophobicContact CZ3-CB 4.29Å; W285-L290 HydrophobicContact CZ3-CD1 3.91Å; W285-R292 HydrophobicContact CH2-CG 3.82Å; W285-R292 HydrophobicContact CZ2-CG 4.02Å |
| 286 | D | 93.3 | Very high | 92.7 | Very high | 92 Ų | 92 | 38.2 Ų | 38.2 | 49% | 0.492 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -62.2 | -36.7 | -179.3 | -67.2 | -12.2 | 0 | 0 | 0 | 112.4 | E282 R283 K289 | E282-D286 PolarHBondContact O-N 3.1Å; R283-D286 PolarHBondContact O-N 2.9Å; D286-K289 VanDerWaalsContact O-CG 3.22Å; D286-K289 WeakPolarHBondContact O-CG 3.46Å |
| 287 | Y | 93.9 | Very high | 92.7 | Very high | 57 Ų | 57 | 39 Ų | 39 | 22% | 0.224 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -77.6 | -31 | -179.7 | -82.6 | -126 | 0 | 0 | 0 | 112.4 | L143 P241 I243 H265 R283 M284 W285 K289 | L143-Y287 HydrophobicContact CD1-CD1 4.16Å; L143-Y287 HydrophobicContact CD1-CG 4.41Å; P241-Y287 HydrophobicContact CB-CD1 3.8Å; I243-Y287 HydrophobicContact CD1-CD1 4.23Å; I243-Y287 HydrophobicContact CD1-CD2 4.25Å; I243-Y287 HydrophobicContact CD1-CG 4.02Å; I243-Y287 HydrophobicContact CG1-CD1 3.78Å; I243-Y287 HydrophobicContact CG1-CD2 4.47Å; I243-Y287 HydrophobicContact CG1-CE1 3.94Å; I243-Y287 HydrophobicContact CG1-CG 4.09Å; H265-Y287 AromaticContact ND1-CE1 3.46Å; H265-Y287 WeakPolarHBondContact ND1-CE1 3.43Å; H265-Y287 AromaticContact ND1-CZ 3.46Å; H265-Y287 PolarHBondContact ND1-OH 2.95Å; R283-Y287 WeakPolarHBondContact O-CD2 3.38Å; R283-Y287 PolarHBondContact O-N 2.92Å; M284-Y287 PolarHBondContact O-N 3.47Å; W285-Y287 VanDerWaalsContact C-N 3.29Å; W285-Y287 PolarHBondContact O-N 2.86Å; Y287-K289 VanDerWaalsContact C-N 3.25Å; Y287-K289 PolarHBondContact O-N 3.36Å |
| 288 | L | 92 | Very high | 92.6 | Very high | 11 Ų | 11 | 47.3 Ų | 47.3 | 6% | 0.058 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -71.4 | -22.6 | 176.2 | -73.7 | 172 | 0 | 0 | 0 | 112.4 | A64 V66 I112 N142 L143 M284 W285 L290 | A64-L288 HydrophobicContact CB-CD1 3.98Å; A64-L288 HydrophobicContact CB-CD2 3.88Å; A64-L288 HydrophobicContact CB-CG 4.49Å; V66-L288 HydrophobicContact CG2-CD1 4.15Å; V66-L288 HydrophobicContact CG2-CD2 4.32Å; I112-L288 HydrophobicContact CD1-CD1 3.89Å; I112-L288 HydrophobicContact CG1-CD1 4.38Å; I112-L288 HydrophobicContact CG2-CD1 4.31Å; N142-L288 HydrophobicContact CB-CD2 3.55Å; L143-L288 HydrophobicContact CB-CD2 3.69Å; L143-L288 HydrophobicContact CB-CG 4.32Å; L143-L288 HydrophobicContact CD2-CD2 4.44Å; L143-L288 HydrophobicContact CD2-CG 4.19Å; M284-L288 WeakPolarHBondContact O-CB 3.27Å; M284-L288 WeakPolarHBondContact O-CG 3.46Å; M284-L288 PolarHBondContact O-N 3.38Å; W285-L288 PolarHBondContact O-N 2.89Å; L288-L290 HydrophobicContact CB-CD1 4.16Å; L288-L290 HydrophobicContact CB-CD2 4.46Å; L288-L290 HydrophobicContact CB-CG 3.84Å; L288-L290 HydrophobicContact CD1-CD1 4.23Å; L288-L290 PolarHBondContact O-N 3.32Å |
| 289 | K | 91.4 | Very high | 92.5 | Very high | 117 Ų | 117 | 46 Ų | 46 | 51% | 0.509 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.2 | 45 | 178.2 | -63.4 | -175.4 | 177.8 | -174.6 | 0 | 112.6 | W285 D286 Y287 D312 | W285-K289 PolarHBondContact O-N 3.45Å; D286-K289 VanDerWaalsContact O-CG 3.22Å; D286-K289 WeakPolarHBondContact O-CG 3.46Å; Y287-K289 VanDerWaalsContact C-N 3.25Å; Y287-K289 PolarHBondContact O-N 3.36Å; K289-D312 HydrophobicContact CB-CB 3.92Å; K289-D312 WeakPolarHBondContact CD-OD2 3.35Å |
| 290 | L | 91.7 | Very high | 92.4 | Very high | 8 Ų | 8 | 50.4 Ų | 50.4 | 4% | 0.042 | 26% | 0.258 | C | S | . | . | trans | -76.8 | 142.4 | 179.6 | -62.2 | 176 | 0 | 0 | 0 | 109.9 | A64 A110 W285 L288 V309 | A64-L290 HydrophobicContact CB-CD1 3.94Å; A64-L290 HydrophobicContact CB-CD2 4.22Å; A110-L290 HydrophobicContact CB-CD1 4.17Å; W285-L290 HydrophobicContact CE3-CD1 4.44Å; W285-L290 HydrophobicContact CH2-CB 4.01Å; W285-L290 HydrophobicContact CH2-CD1 4.4Å; W285-L290 HydrophobicContact CZ2-CB 4.4Å; W285-L290 HydrophobicContact CZ3-CB 4.29Å; W285-L290 HydrophobicContact CZ3-CD1 3.91Å; L288-L290 HydrophobicContact CB-CD1 4.16Å; L288-L290 HydrophobicContact CB-CD2 4.46Å; L288-L290 HydrophobicContact CB-CG 3.84Å; L288-L290 HydrophobicContact CD1-CD1 4.23Å; L288-L290 PolarHBondContact O-N 3.32Å; L290-V309 HydrophobicContact CB-CG1 3.76Å; L290-V309 HydrophobicContact CD1-CG1 4.03Å; L290-V309 HydrophobicContact CD2-CG1 4.18Å; L290-V309 HydrophobicContact CG-CG1 4.19Å | ||
| 291 | V | 91.9 | Very high | 92.3 | Very high | 18 Ų | 18 | 57.6 Ų | 57.6 | 11% | 0.109 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 117.4 | 177.9 | 170.8 | 0 | 0 | 0 | 0 | 108.5 | I293 V309 L310 T315 E356 | V291-I293 HydrophobicContact CG1-CD1 4.3Å; V291-I293 HydrophobicContact CG1-CG1 4.13Å; V291-V309 WeakPolarHBondContact O-CA 3.46Å; V291-L310 PolarHBondContact N-O 2.62Å; V291-L310 PolarHBondContact O-N 2.71Å; V291-T315 HydrophobicContact CB-CG2 3.88Å; V291-T315 HydrophobicContact CG1-CG2 4.25Å; V291-T315 HydrophobicContact CG2-CG2 3.7Å; V291-E356 WeakPolarHBondContact CG1-O 3.41Å |
| 292 | R | 93.1 | Very high | 92.2 | Very high | 22 Ų | 22 | 58.7 Ų | 58.7 | 8% | 0.083 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 126.3 | 177.4 | -62.8 | 167.5 | -68.5 | 162.1 | -4.7 | 108.9 | K108 W285 P307 V309 D357 E358 | K108-R292 WeakPolarHBondContact O-CD 3.38Å; W285-R292 HydrophobicContact CH2-CG 3.82Å; W285-R292 HydrophobicContact CZ2-CG 4.02Å; R292-P307 HydrophobicContact CB-CB 3.87Å; R292-P307 HydrophobicContact CB-CG 4.45Å; R292-P307 HydrophobicContact CG-CB 4.31Å; R292-P307 HydrophobicContact CG-CG 4.4Å; R292-V309 HydrophobicContact CG-CG2 4.19Å; R292-D357 VanDerWaalsContact CB-OD1 3.27Å; R292-D357 WeakPolarHBondContact CB-OD1 3.46Å; R292-D357 IonicContact CZ-OD1 2.78Å; R292-D357 IonicContact CZ-OD2 3.74Å; R292-D357 PolarHBondContact N-OD1 3.44Å; R292-D357 IonicContact NE-OD1 3.64Å; R292-D357 PolarHBondContact NE-OD1 3.47Å; R292-D357 VanDerWaalsContact NE-OD1 3.07Å; R292-D357 IonicContact NE-OD2 2.68Å; R292-D357 PolarHBondContact NE-OD2 3.48Å; R292-D357 IonicContact NH2-OD1 3.53Å; R292-D357 IonicContact NH2-OD2 3.21Å; R292-D357 PolarHBondContact NH2-OD2 3.12Å; R292-E358 IonicContact CZ-OE1 3.6Å; R292-E358 IonicContact NH1-OE1 3.99Å; R292-E358 PolarHBondContact NH1-OE1 3.11Å; R292-E358 VanDerWaalsContact NH1-OE1 3.15Å; R292-E358 VanDerWaalsContact NH2-CD 3.34Å; R292-E358 VanDerWaalsContact NH2-CG 3.35Å; R292-E358 IonicContact NH2-OE1 2.72Å; R292-E358 PolarHBondContact NH2-OE1 3.46Å; R292-E358 WeakPolarHBondContact O-CA 3.28Å; R292-E358 PolarHBondContact O-N 3.2Å |
| 293 | I | 93.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 128.5 | 176.3 | -63.2 | 152.8 | 0 | 0 | 0 | 108.9 | V291 V308 L310 F320 M355 D359 I361 | V291-I293 HydrophobicContact CG1-CD1 4.3Å; V291-I293 HydrophobicContact CG1-CG1 4.13Å; I293-V308 PolarHBondContact N-O 3.1Å; I293-V308 PolarHBondContact O-N 3.38Å; I293-L310 HydrophobicContact CD1-CD1 3.33Å; I293-L310 HydrophobicContact CD1-CG 3.93Å; I293-F320 HydrophobicContact CB-CD2 4.01Å; I293-F320 HydrophobicContact CB-CE2 3.85Å; I293-F320 HydrophobicContact CD1-CD2 3.86Å; I293-F320 HydrophobicContact CG2-CD2 3.8Å; I293-F320 HydrophobicContact CG2-CE2 3.43Å; I293-F320 VanDerWaalsContact CG2-CE2 3.43Å; I293-F320 HydrophobicContact CG2-CZ 4.17Å; I293-M355 HydrophobicContact CD1-CB 4.07Å; I293-M355 HydrophobicContact CD1-CE 3.42Å; I293-M355 VanDerWaalsContact CD1-CE 3.42Å; I293-M355 HydrophobicContact CD1-SD 3.69Å; I293-M355 HydrophobicContact CG1-CB 4.34Å; I293-M355 HydrophobicContact CG1-CE 4.47Å; I293-M355 HydrophobicContact CG1-SD 4.14Å; I293-M355 HydrophobicContact CG2-SD 4.11Å; I293-D359 CarbonylContact C-O 3.49Å; I293-D359 WeakPolarHBondContact CA-O 3.43Å; I293-I361 HydrophobicContact CG2-CB 4.07Å; I293-I361 HydrophobicContact CG2-CG2 3.41Å; I293-I361 VanDerWaalsContact CG2-CG2 3.41Å |
| 294 | Y | 94.4 | Very high | 91.6 | Very high | 21 Ų | 21 | 60.8 Ų | 60.8 | 8% | 0.082 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 130 | -178.6 | -62.8 | -69.9 | 0 | 0 | 0 | 110.8 | D303 Y304 P307 E358 D359 V360 I361 | Y294-D303 VanDerWaalsContact CD1-O 3.3Å; Y294-D303 WeakPolarHBondContact CD1-O 3.49Å; Y294-Y304 AromaticContact CD1-CD1 3.88Å; Y294-Y304 HydrophobicContact CD1-CD1 3.88Å; Y294-Y304 AromaticContact CD2-CD1 3.91Å; Y294-Y304 HydrophobicContact CD2-CD1 3.91Å; Y294-Y304 HydrophobicContact CD2-CE1 4.08Å; Y294-Y304 HydrophobicContact CE1-CD1 4.01Å; Y294-Y304 WeakPolarHBondContact CE1-O 3.41Å; Y294-Y304 HydrophobicContact CE2-CD1 4.07Å; Y294-Y304 HydrophobicContact CE2-CE1 4.48Å; Y294-Y304 AromaticContact CG-CD1 3.79Å; Y294-Y304 HydrophobicContact CG-CD1 3.79Å; Y294-Y304 HydrophobicContact CG-CE1 4.17Å; Y294-P307 HydrophobicContact CD1-CB 3.88Å; Y294-P307 HydrophobicContact CE1-CB 3.61Å; Y294-P307 HydrophobicContact CE1-CG 4.05Å; Y294-E358 HydrophobicContact CE2-CB 3.96Å; Y294-E358 HydrophobicContact CE2-CG 4.14Å; Y294-D359 PolarHBondContact N-O 3.49Å; Y294-V360 CarbonylContact O-C 3.54Å; Y294-V360 WeakPolarHBondContact O-CA 3.43Å; Y294-I361 PolarHBondContact O-N 3.25Å |
| 295 | T | 92.9 | Very high | 91.1 | Very high | 43 Ų | 43 | 65.7 Ų | 65.7 | 26% | 0.264 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 137.8 | 178.1 | 62.2 | 0 | 0 | 0 | 0 | 110.4 | P302 D303 V308 F320 I324 | T295-P302 WeakPolarHBondContact O-CA 3.36Å; T295-D303 PolarHBondContact O-N 3.26Å; T295-V308 HydrophobicContact CG2-CG2 4.07Å; T295-F320 HydrophobicContact CG2-CE2 4.37Å; T295-F320 HydrophobicContact CG2-CZ 3.71Å; T295-I324 HydrophobicContact CG2-CD1 4.47Å |
| 296 | K | 93.5 | Very high | 90.7 | Very high | 49 Ų | 49 | 68 Ų | 68 | 21% | 0.213 | 36% | 0.36 | C | S | . | . | trans | -127 | 107.5 | 173.5 | -175.3 | -170.9 | -178.4 | -176.8 | 0 | 110.4 | Q300 P302 W338 V360 I361 Q362 | K296-Q300 WeakPolarHBondContact CE-O 3.2Å; K296-P302 HydrophobicContact CB-CB 4.27Å; K296-P302 HydrophobicContact CB-CG 4.23Å; K296-P302 HydrophobicContact CD-CG 4.02Å; K296-P302 HydrophobicContact CG-CB 4.47Å; K296-P302 HydrophobicContact CG-CG 4Å; K296-W338 HydrophobicContact CD-CE3 4.23Å; K296-W338 HydrophobicContact CD-CH2 3.75Å; K296-W338 HydrophobicContact CD-CZ2 4.24Å; K296-W338 HydrophobicContact CD-CZ3 3.73Å; K296-W338 VanDerWaalsContact NZ-CZ2 3.3Å; K296-V360 HydrophobicContact CB-CG1 3.61Å; K296-V360 HydrophobicContact CD-CG1 4.14Å; K296-V360 HydrophobicContact CG-CG1 4.42Å; K296-I361 PolarHBondContact N-O 2.79Å; K296-Q362 HydrophobicContact CB-CB 4.41Å; K296-Q362 WeakPolarHBondContact O-CA 3.39Å; K296-Q362 VanDerWaalsContact O-CB 3.23Å; K296-Q362 WeakPolarHBondContact O-CB 3.49Å; K296-Q362 VanDerWaalsContact O-CG 3.23Å; K296-Q362 WeakPolarHBondContact O-CG 3.42Å | ||
| 297 | P | 91 | Very high | 90.6 | Very high | 56 Ų | 56 | 64.4 Ų | 64.4 | 36% | 0.364 | 34% | 0.342 | S | S | . | . | trans | -67.8 | 152.5 | 171.7 | -19.2 | 32.6 | 0 | 0 | 0 | 112 | G299 Q300 | P297-G299 PolarHBondContact O-N 2.85Å; P297-Q300 HydrophobicContact CB-CB 4.14Å; P297-Q300 HydrophobicContact CB-CG 4.37Å; P297-Q300 HydrophobicContact CG-CB 4.4Å; P297-Q300 PolarHBondContact O-N 2.9Å; P297-Q300 VanDerWaalsContact O-N 3.13Å | ||
| 298 | K | 89.1 | Confident | 90.4 | Very high | 186 Ų | 186 | 63 Ų | 63 | 81% | 0.809 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | 122.8 | 178.2 | -174.1 | -179.1 | 178.5 | -175.2 | 0 | 110.1 | Q300 | K298-Q300 VanDerWaalsContact C-N 3.31Š|
| 299 | G | 88.1 | Confident | 90.4 | Very high | 81 Ų | 81 | 62.5 Ų | 62.5 | 84% | 0.835 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.4 | 4.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | P297 | P297-G299 PolarHBondContact O-N 2.85Š|
| 300 | Q | 91.5 | Very high | 90.4 | Very high | 125 Ų | 125 | 57.1 Ų | 57.1 | 58% | 0.584 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -117.4 | 163.2 | 175.7 | -63.4 | -178.2 | 5 | 0 | 0 | 111 | K296 P297 K298 | K296-Q300 WeakPolarHBondContact CE-O 3.2Å; P297-Q300 HydrophobicContact CB-CB 4.14Å; P297-Q300 HydrophobicContact CB-CG 4.37Å; P297-Q300 HydrophobicContact CG-CB 4.4Å; P297-Q300 PolarHBondContact O-N 2.9Å; P297-Q300 VanDerWaalsContact O-N 3.13Å; K298-Q300 VanDerWaalsContact C-N 3.31Å |
| 301 | L | 90.1 | Very high | 90.1 | Very high | 152 Ų | 152 | 58.7 Ų | 58.7 | 80% | 0.796 | 32% | 0.324 | S | S | * | . | trans | -72.5 | 154.1 | 170.5 | -65.7 | 174.2 | 0 | 0 | 0 | 110.1 | ||||
| 302 | P | 89.9 | Confident | 89.5 | Confident | 24 Ų | 24 | 62.7 Ų | 62.7 | 16% | 0.156 | 35% | 0.345 | C | S | . | . | trans | -60.2 | 140.7 | 172.6 | -19 | 31.7 | 0 | 0 | 0 | 111.4 | T295 K296 Y304 V360 | T295-P302 WeakPolarHBondContact O-CA 3.36Å; K296-P302 HydrophobicContact CB-CB 4.27Å; K296-P302 HydrophobicContact CB-CG 4.23Å; K296-P302 HydrophobicContact CD-CG 4.02Å; K296-P302 HydrophobicContact CG-CB 4.47Å; K296-P302 HydrophobicContact CG-CG 4Å; P302-Y304 HydrophobicContact CB-CD2 4.5Å; P302-Y304 HydrophobicContact CB-CE1 4.32Å; P302-Y304 HydrophobicContact CB-CE2 3.89Å; P302-Y304 HydrophobicContact CG-CE2 4.27Å; P302-V360 HydrophobicContact CB-CG1 3.85Å; P302-V360 HydrophobicContact CB-CG2 4.39Å; P302-V360 HydrophobicContact CG-CG1 3.78Å; P302-V360 HydrophobicContact CG-CG2 4.43Å | ||
| 303 | D | 88.3 | Confident | 88.9 | Confident | 60 Ų | 60 | 64.9 Ų | 64.9 | 32% | 0.321 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 110.4 | 170.6 | -179.6 | 10.7 | 0 | 0 | 0 | 109.9 | Y294 T295 T305 | Y294-D303 VanDerWaalsContact CD1-O 3.3Å; Y294-D303 WeakPolarHBondContact CD1-O 3.49Å; T295-D303 PolarHBondContact O-N 3.26Å; D303-T305 WeakPolarHBondContact OD1-CB 3.32Å; D303-T305 PolarHBondContact OD1-N 3.36Å; D303-T305 PolarHBondContact OD1-OG1 3.19Å; D303-T305 PolarHBondContact OD2-OG1 2.99Å |
| 304 | Y | 86.9 | Confident | 88.5 | Confident | 140 Ų | 140 | 72.9 Ų | 72.9 | 55% | 0.549 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | -6.9 | 177.6 | -64.2 | -73 | 0 | 0 | 0 | 113.9 | Y294 P302 V360 | Y294-Y304 AromaticContact CD1-CD1 3.88Å; Y294-Y304 HydrophobicContact CD1-CD1 3.88Å; Y294-Y304 AromaticContact CD2-CD1 3.91Å; Y294-Y304 HydrophobicContact CD2-CD1 3.91Å; Y294-Y304 HydrophobicContact CD2-CE1 4.08Å; Y294-Y304 HydrophobicContact CE1-CD1 4.01Å; Y294-Y304 WeakPolarHBondContact CE1-O 3.41Å; Y294-Y304 HydrophobicContact CE2-CD1 4.07Å; Y294-Y304 HydrophobicContact CE2-CE1 4.48Å; Y294-Y304 AromaticContact CG-CD1 3.79Å; Y294-Y304 HydrophobicContact CG-CD1 3.79Å; Y294-Y304 HydrophobicContact CG-CE1 4.17Å; P302-Y304 HydrophobicContact CB-CD2 4.5Å; P302-Y304 HydrophobicContact CB-CE1 4.32Å; P302-Y304 HydrophobicContact CB-CE2 3.89Å; P302-Y304 HydrophobicContact CG-CE2 4.27Å; Y304-V360 HydrophobicContact CE1-CG2 4.4Å |
| 305 | T | 84.1 | Confident | 88.3 | Confident | 104 Ų | 104 | 72.7 Ų | 72.7 | 64% | 0.638 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.2 | -35.7 | -176.6 | 68.8 | 0 | 0 | 0 | 0 | 112.2 | D303 P307 | D303-T305 WeakPolarHBondContact OD1-CB 3.32Å; D303-T305 PolarHBondContact OD1-N 3.36Å; D303-T305 PolarHBondContact OD1-OG1 3.19Å; D303-T305 PolarHBondContact OD2-OG1 2.99Å; T305-P307 WeakPolarHBondContact O-CD 2.84Å |
| 306 | S | 83.9 | Confident | 88.3 | Confident | 63 Ų | 63 | 71.6 Ų | 71.6 | 44% | 0.441 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 75.3 | -172 | -63.2 | 0 | 0 | 0 | 0 | 111.1 | ||
| 307 | P | 90.9 | Very high | 88.3 | Confident | 16 Ų | 16 | 69.3 Ų | 69.3 | 10% | 0.104 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 146.9 | 174.6 | 26.3 | -32 | 0 | 0 | 0 | 111.2 | R292 Y294 T305 V309 | R292-P307 HydrophobicContact CB-CB 3.87Å; R292-P307 HydrophobicContact CB-CG 4.45Å; R292-P307 HydrophobicContact CG-CB 4.31Å; R292-P307 HydrophobicContact CG-CG 4.4Å; Y294-P307 HydrophobicContact CD1-CB 3.88Å; Y294-P307 HydrophobicContact CE1-CB 3.61Å; Y294-P307 HydrophobicContact CE1-CG 4.05Å; T305-P307 WeakPolarHBondContact O-CD 2.84Å; P307-V309 HydrophobicContact CG-CG2 4.44Å |
| 308 | V | 90.8 | Very high | 88.4 | Confident | 26 Ų | 26 | 69.5 Ų | 69.5 | 16% | 0.158 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 118.5 | 164.2 | -178.4 | 0 | 0 | 0 | 0 | 107.4 | I293 T295 F320 K323 I324 | I293-V308 PolarHBondContact N-O 3.1Å; I293-V308 PolarHBondContact O-N 3.38Å; T295-V308 HydrophobicContact CG2-CG2 4.07Å; V308-F320 HydrophobicContact CB-CD2 4.02Å; V308-F320 HydrophobicContact CB-CE2 3.59Å; V308-F320 HydrophobicContact CG1-CD2 3.89Å; V308-F320 HydrophobicContact CG1-CE2 3.94Å; V308-F320 HydrophobicContact CG2-CE2 3.74Å; V308-F320 HydrophobicContact CG2-CZ 4.25Å; V308-K323 HydrophobicContact CG1-CB 4.34Å; V308-K323 HydrophobicContact CG1-CG 3.72Å; V308-I324 HydrophobicContact CG2-CD1 4.33Å; V308-I324 HydrophobicContact CG2-CG1 4.25Å |
| 309 | V | 91.8 | Very high | 88.5 | Confident | 2 Ų | 2 | 62.7 Ų | 62.7 | 1% | 0.012 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 127.1 | -175.6 | -177.9 | 0 | 0 | 0 | 0 | 110.1 | D63 A110 L290 V291 R292 P307 | D63-V309 HydrophobicContact CB-CB 3.88Å; D63-V309 HydrophobicContact CB-CG1 3.81Å; A110-V309 HydrophobicContact CB-CB 4.33Å; A110-V309 HydrophobicContact CB-CG1 4.05Å; A110-V309 HydrophobicContact CB-CG2 3.63Å; L290-V309 HydrophobicContact CB-CG1 3.76Å; L290-V309 HydrophobicContact CD1-CG1 4.03Å; L290-V309 HydrophobicContact CD2-CG1 4.18Å; L290-V309 HydrophobicContact CG-CG1 4.19Å; V291-V309 WeakPolarHBondContact O-CA 3.46Å; R292-V309 HydrophobicContact CG-CG2 4.19Å; P307-V309 HydrophobicContact CG-CG2 4.44Å |
| 310 | L | 90.2 | Very high | 88.6 | Confident | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.021 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 144.7 | 177 | -61.7 | -176.5 | 0 | 0 | 0 | 110.9 | V291 I293 T315 D319 F320 K323 M355 | V291-L310 PolarHBondContact N-O 2.62Å; V291-L310 PolarHBondContact O-N 2.71Å; I293-L310 HydrophobicContact CD1-CD1 3.33Å; I293-L310 HydrophobicContact CD1-CG 3.93Å; L310-T315 HydrophobicContact CB-CG2 4.4Å; L310-D319 HydrophobicContact CD1-CB 4.46Å; L310-F320 HydrophobicContact CD1-CB 4.06Å; L310-K323 HydrophobicContact CD2-CB 3.96Å; L310-K323 HydrophobicContact CD2-CG 4.08Å; L310-M355 HydrophobicContact CD1-CE 4.27Å |
| 311 | P | 85.8 | Confident | 88.6 | Confident | 41 Ų | 41 | 53 Ų | 53 | 27% | 0.266 | 29% | 0.291 | S | S | . | . | trans | -78.2 | 155.3 | 174.7 | 32.9 | -32.7 | 0 | 0 | 0 | 111.6 | G313 R314 | P311-G313 PolarHBondContact O-N 3.14Å; P311-R314 HydrophobicContact CG-CB 4.21Å; P311-R314 PolarHBondContact O-N 3.48Å; P311-R314 VanDerWaalsContact O-N 3.12Å | ||
| 312 | D | 79.6 | Confident | 88.6 | Confident | 102 Ų | 102 | 49.4 Ų | 49.4 | 55% | 0.545 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | 137.4 | 174.5 | -167.6 | 17 | 0 | 0 | 0 | 111.9 | K289 R314 | K289-D312 HydrophobicContact CB-CB 3.92Å; K289-D312 WeakPolarHBondContact CD-OD2 3.35Å; D312-R314 VanDerWaalsContact C-N 3.27Å; D312-R314 PolarHBondContact O-N 2.97Å |
| 313 | G | 79.9 | Confident | 88.5 | Confident | 68 Ų | 68 | 53 Ų | 53 | 70% | 0.701 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.4 | -7.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | P311 | P311-G313 PolarHBondContact O-N 3.14Š|
| 314 | R | 86.1 | Confident | 88.4 | Confident | 168 Ų | 168 | 53.8 Ų | 53.8 | 63% | 0.634 | 29% | 0.289 | S | S | * | . | trans | -125.4 | 58.9 | 171.3 | -64.1 | -171.2 | -174.1 | 179.7 | 0.7 | 111.2 | P311 D312 D319 | P311-R314 HydrophobicContact CG-CB 4.21Å; P311-R314 PolarHBondContact O-N 3.48Å; P311-R314 VanDerWaalsContact O-N 3.12Å; D312-R314 VanDerWaalsContact C-N 3.27Å; D312-R314 PolarHBondContact O-N 2.97Å; R314-D319 VanDerWaalsContact CA-OD2 3.31Å; R314-D319 WeakPolarHBondContact CA-OD2 3.46Å; R314-D319 HydrophobicContact CB-CB 4.37Å; R314-D319 WeakPolarHBondContact O-CB 3.22Å | ||
| 315 | T | 90.3 | Very high | 88.5 | Confident | 16 Ų | 16 | 51.9 Ų | 51.9 | 10% | 0.098 | 29% | 0.285 | C | S | . | . | trans | -110.1 | 18.8 | -173.8 | 56.2 | 0 | 0 | 0 | 0 | 112.1 | V291 L310 V354 M355 | V291-T315 HydrophobicContact CB-CG2 3.88Å; V291-T315 HydrophobicContact CG1-CG2 4.25Å; V291-T315 HydrophobicContact CG2-CG2 3.7Å; L310-T315 HydrophobicContact CB-CG2 4.4Å; T315-V354 VanDerWaalsContact OG1-CG1 3.27Å; T315-V354 WeakPolarHBondContact OG1-CG1 3.29Å; T315-M355 WeakPolarHBondContact O-CE 3.41Å; T315-M355 PolarHBondContact O-N 2.71Å | ||
| 316 | S | 93.4 | Very high | 88.6 | Confident | 21 Ų | 21 | 54.7 Ų | 54.7 | 15% | 0.147 | 29% | 0.288 | C | S | . | . | B | Isolated β-bridge | trans | -74.6 | 158.8 | 178.1 | 71.3 | 0 | 0 | 0 | 0 | 112.3 | E318 D319 F320 H353 M355 | S316-E318 PolarHBondContact O-N 3.44Å; S316-D319 WeakPolarHBondContact CB-OD2 3.45Å; S316-D319 PolarHBondContact N-OD2 3.36Å; S316-D319 WeakPolarHBondContact O-CB 3.24Å; S316-D319 PolarHBondContact O-N 2.84Å; S316-D319 VanDerWaalsContact O-N 3.1Å; S316-D319 PolarHBondContact OG-N 2.81Å; S316-D319 PolarHBondContact OG-OD2 2.94Å; S316-F320 PolarHBondContact O-N 2.88Å; S316-H353 CarbonylContact C-O 3.56Å; S316-H353 VanDerWaalsContact CA-O 3.28Å; S316-H353 WeakPolarHBondContact CA-O 3.46Å; S316-M355 VanDerWaalsContact C-CE 3.48Å; S316-M355 VanDerWaalsContact O-CE 3.32Å; S316-M355 WeakPolarHBondContact O-CE 3.45Å |
| 317 | V | 92.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.6 | -31.5 | 172.5 | 175 | 0 | 0 | 0 | 0 | 111.2 | C321 F332 A335 V349 K351 H353 M355 I361 L363 | V317-C321 PolarHBondContact O-N 2.99Å; V317-C321 PolarHBondContact O-SG 2.97Å; V317-F332 HydrophobicContact CG1-CE2 3.65Å; V317-F332 HydrophobicContact CG1-CZ 3.86Å; V317-A335 HydrophobicContact CG1-CB 4.08Å; V317-V349 HydrophobicContact CG2-CG2 4.11Å; V317-K351 PolarHBondContact N-O 3.35Å; V317-H353 HydrophobicContact CG2-CB 4.07Å; V317-H353 PolarHBondContact N-O 2.84Å; V317-M355 HydrophobicContact CB-CE 4.34Å; V317-M355 HydrophobicContact CG2-CE 3.91Å; V317-M355 HydrophobicContact CG2-CG 4.22Å; V317-M355 HydrophobicContact CG2-SD 3.95Å; V317-I361 HydrophobicContact CG1-CD1 3.98Å; V317-I361 HydrophobicContact CG2-CD1 4.11Å; V317-L363 HydrophobicContact CG1-CD2 4.35Å |
| 318 | E | 92.6 | Very high | 88.6 | Confident | 60 Ų | 60 | 56.3 Ų | 56.3 | 28% | 0.28 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.1 | -48.6 | 171.2 | 179.8 | 162.9 | -179.7 | 0 | 0 | 111.9 | S316 F320 C321 L322 I329 K351 | S316-E318 PolarHBondContact O-N 3.44Å; E318-F320 VanDerWaalsContact C-N 3.29Å; E318-F320 PolarHBondContact O-N 3.49Å; E318-C321 PolarHBondContact O-N 2.9Å; E318-C321 VanDerWaalsContact O-N 3.16Å; E318-L322 HydrophobicContact CG-CD1 4.07Å; E318-L322 HydrophobicContact CG-CG 4.49Å; E318-L322 WeakPolarHBondContact O-CG 3.36Å; E318-L322 PolarHBondContact O-N 2.95Å; E318-I329 HydrophobicContact CB-CD1 4.12Å; E318-I329 HydrophobicContact CG-CD1 3.82Å; E318-I329 HydrophobicContact CG-CG1 4.38Å; E318-K351 HydrophobicContact CB-CB 4.39Å; E318-K351 PolarHBondContact N-O 2.98Å; E318-K351 IonicContact OE2-NZ 3.64Å |
| 319 | D | 91.1 | Very high | 88.5 | Confident | 44 Ų | 44 | 57.3 Ų | 57.3 | 24% | 0.235 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.7 | -41.2 | 177.5 | -66.5 | -55.1 | 0 | 0 | 0 | 111.7 | L310 R314 S316 L322 K323 | L310-D319 HydrophobicContact CD1-CB 4.46Å; R314-D319 VanDerWaalsContact CA-OD2 3.31Å; R314-D319 WeakPolarHBondContact CA-OD2 3.46Å; R314-D319 HydrophobicContact CB-CB 4.37Å; R314-D319 WeakPolarHBondContact O-CB 3.22Å; S316-D319 WeakPolarHBondContact CB-OD2 3.45Å; S316-D319 PolarHBondContact N-OD2 3.36Å; S316-D319 WeakPolarHBondContact O-CB 3.24Å; S316-D319 PolarHBondContact O-N 2.84Å; S316-D319 VanDerWaalsContact O-N 3.1Å; S316-D319 PolarHBondContact OG-N 2.81Å; S316-D319 PolarHBondContact OG-OD2 2.94Å; D319-L322 PolarHBondContact O-N 3.31Å; D319-K323 WeakPolarHBondContact O-CB 3.33Å; D319-K323 PolarHBondContact O-N 3.49Å |
| 320 | F | 91.8 | Very high | 88.4 | Confident | 2 Ų | 2 | 64.4 Ų | 64.4 | 1% | 0.009 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59.3 | -47.8 | 173.9 | 176.9 | -93.8 | 0 | 0 | 0 | 112.4 | I293 T295 V308 L310 S316 E318 L322 K323 I324 M355 I361 L363 | I293-F320 HydrophobicContact CB-CD2 4.01Å; I293-F320 HydrophobicContact CB-CE2 3.85Å; I293-F320 HydrophobicContact CD1-CD2 3.86Å; I293-F320 HydrophobicContact CG2-CD2 3.8Å; I293-F320 HydrophobicContact CG2-CE2 3.43Å; I293-F320 VanDerWaalsContact CG2-CE2 3.43Å; I293-F320 HydrophobicContact CG2-CZ 4.17Å; T295-F320 HydrophobicContact CG2-CE2 4.37Å; T295-F320 HydrophobicContact CG2-CZ 3.71Å; V308-F320 HydrophobicContact CB-CD2 4.02Å; V308-F320 HydrophobicContact CB-CE2 3.59Å; V308-F320 HydrophobicContact CG1-CD2 3.89Å; V308-F320 HydrophobicContact CG1-CE2 3.94Å; V308-F320 HydrophobicContact CG2-CE2 3.74Å; V308-F320 HydrophobicContact CG2-CZ 4.25Å; L310-F320 HydrophobicContact CD1-CB 4.06Å; S316-F320 PolarHBondContact O-N 2.88Å; E318-F320 VanDerWaalsContact C-N 3.29Å; E318-F320 PolarHBondContact O-N 3.49Å; F320-L322 VanDerWaalsContact C-N 3.32Å; F320-L322 PolarHBondContact O-N 3.46Å; F320-K323 PolarHBondContact O-N 3.41Å; F320-I324 HydrophobicContact CD1-CD1 4.02Å; F320-I324 HydrophobicContact CE1-CD1 3.38Å; F320-I324 HydrophobicContact CE1-CG1 4.5Å; F320-I324 HydrophobicContact CE2-CD1 4.2Å; F320-I324 HydrophobicContact CZ-CD1 3.5Å; F320-I324 VanDerWaalsContact CZ-CD1 3.5Å; F320-I324 PolarHBondContact O-N 3.17Å; F320-I324 VanDerWaalsContact O-N 3.13Å; F320-M355 HydrophobicContact CB-CE 3.66Å; F320-M355 HydrophobicContact CG-CE 4.27Å; F320-I361 HydrophobicContact CD1-CD1 4.11Å; F320-I361 HydrophobicContact CD1-CG2 4.3Å; F320-I361 HydrophobicContact CD2-CG2 4.49Å; F320-I361 HydrophobicContact CE1-CD1 4.21Å; F320-I361 HydrophobicContact CE1-CG2 3.54Å; F320-I361 HydrophobicContact CE2-CG2 3.75Å; F320-I361 HydrophobicContact CZ-CG2 3.21Å; F320-L363 HydrophobicContact CD1-CD1 4.31Å; F320-L363 HydrophobicContact CE1-CD1 3.91Å; F320-L363 HydrophobicContact CE1-CD2 4.43Å; F320-L363 HydrophobicContact CE1-CG 4.22Å |
| 321 | C | 91 | Very high | 88.4 | Confident | 1 Ų | 1 | 68.4 Ų | 68.4 | 1% | 0.007 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62 | -42.1 | 177.7 | -68.6 | 0 | 0 | 0 | 0 | 111.4 | V317 E318 K323 I324 H325 L328 I329 | V317-C321 PolarHBondContact O-N 2.99Å; V317-C321 PolarHBondContact O-SG 2.97Å; E318-C321 PolarHBondContact O-N 2.9Å; E318-C321 VanDerWaalsContact O-N 3.16Å; C321-K323 VanDerWaalsContact C-N 3.34Å; C321-I324 PolarHBondContact O-N 3.4Å; C321-H325 CarbonylContact O-C 3.48Å; C321-H325 PolarHBondContact O-N 3.49Å; C321-L328 HydrophobicContact CB-CB 4.07Å; C321-I329 HydrophobicContact CB-CD1 4.36Å |
| 322 | L | 89.2 | Confident | 88.7 | Confident | 76 Ų | 76 | 67.6 Ų | 67.6 | 40% | 0.398 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65.3 | -36.1 | 178 | -71.5 | 173.3 | 0 | 0 | 0 | 112.6 | E318 D319 F320 | E318-L322 HydrophobicContact CG-CD1 4.07Å; E318-L322 HydrophobicContact CG-CG 4.49Å; E318-L322 WeakPolarHBondContact O-CG 3.36Å; E318-L322 PolarHBondContact O-N 2.95Å; D319-L322 PolarHBondContact O-N 3.31Å; F320-L322 VanDerWaalsContact C-N 3.32Å; F320-L322 PolarHBondContact O-N 3.46Å |
| 323 | K | 87.5 | Confident | 89.3 | Confident | 98 Ų | 98 | 68.1 Ų | 68.1 | 43% | 0.426 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -66.7 | -38.2 | 176.4 | -179.5 | 73.6 | 175.6 | -160.9 | 0 | 111.9 | D63 V308 L310 D319 F320 C321 | D63-K323 IonicContact OD1-NZ 3.43Å; D63-K323 PolarHBondContact OD1-NZ 3.4Å; V308-K323 HydrophobicContact CG1-CB 4.34Å; V308-K323 HydrophobicContact CG1-CG 3.72Å; L310-K323 HydrophobicContact CD2-CB 3.96Å; L310-K323 HydrophobicContact CD2-CG 4.08Å; D319-K323 WeakPolarHBondContact O-CB 3.33Å; D319-K323 PolarHBondContact O-N 3.49Å; F320-K323 PolarHBondContact O-N 3.41Å; C321-K323 VanDerWaalsContact C-N 3.34Å |
| 324 | I | 87.9 | Confident | 90 | Very high | 77 Ų | 77 | 67.7 Ų | 67.7 | 40% | 0.395 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -72.6 | -62.8 | 175.8 | -65.1 | 176.6 | 0 | 0 | 0 | 110.2 | T295 V308 F320 C321 L328 | T295-I324 HydrophobicContact CG2-CD1 4.47Å; V308-I324 HydrophobicContact CG2-CD1 4.33Å; V308-I324 HydrophobicContact CG2-CG1 4.25Å; F320-I324 HydrophobicContact CD1-CD1 4.02Å; F320-I324 HydrophobicContact CE1-CD1 3.38Å; F320-I324 HydrophobicContact CE1-CG1 4.5Å; F320-I324 HydrophobicContact CE2-CD1 4.2Å; F320-I324 HydrophobicContact CZ-CD1 3.5Å; F320-I324 VanDerWaalsContact CZ-CD1 3.5Å; F320-I324 PolarHBondContact O-N 3.17Å; F320-I324 VanDerWaalsContact O-N 3.13Å; C321-I324 PolarHBondContact O-N 3.4Å; I324-L328 HydrophobicContact CB-CD2 4.42Å; I324-L328 HydrophobicContact CG2-CD1 4.13Å; I324-L328 HydrophobicContact CG2-CD2 4.11Å |
| 325 | H | 88 | Confident | 90.4 | Very high | 101 Ų | 101 | 59.7 Ų | 59.7 | 47% | 0.468 | 28% | 0.281 | S | S | . | . | trans | -166 | 133.2 | 178.8 | -173.7 | -92.2 | 0 | 0 | 0 | 111.3 | C321 N327 L328 | C321-H325 CarbonylContact O-C 3.48Å; C321-H325 PolarHBondContact O-N 3.49Å; H325-N327 PolarHBondContact CE1-ND2 2.85Å; H325-N327 WeakPolarHBondContact ND1-CB 3.39Å; H325-N327 PolarHBondContact ND1-N 3.15Å; H325-N327 PolarHBondContact O-N 3.08Å; H325-L328 HydrophobicContact CB-CD1 3.57Å; H325-L328 WeakPolarHBondContact O-CB 3.46Å; H325-L328 PolarHBondContact O-N 3.13Å | ||
| 326 | K | 86.6 | Confident | 90.6 | Very high | 162 Ų | 162 | 60.8 Ų | 60.8 | 70% | 0.704 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -25.8 | -174.7 | -64.3 | -178 | -178.6 | 178.7 | 0 | 115.1 | I329 | K326-I329 WeakPolarHBondContact O-CG2 3.33Š|
| 327 | N | 88 | Confident | 90.7 | Very high | 80 Ų | 80 | 59.8 Ų | 59.8 | 43% | 0.428 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -17.9 | 178.3 | -68.5 | -17 | 0 | 0 | 0 | 114 | H325 I329 K330 | H325-N327 PolarHBondContact CE1-ND2 2.85Å; H325-N327 WeakPolarHBondContact ND1-CB 3.39Å; H325-N327 PolarHBondContact ND1-N 3.15Å; H325-N327 PolarHBondContact O-N 3.08Å; N327-I329 PolarHBondContact O-N 3.18Å; N327-K330 WeakPolarHBondContact O-CB 3.32Å; N327-K330 PolarHBondContact O-N 2.97Å; N327-K330 VanDerWaalsContact O-N 3.1Å |
| 328 | L | 87.6 | Confident | 90.8 | Very high | 33 Ų | 33 | 62.3 Ų | 62.3 | 17% | 0.173 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61 | -34 | -178.8 | -93 | 82.7 | 0 | 0 | 0 | 112.1 | C321 I324 H325 K330 E331 F332 L363 | C321-L328 HydrophobicContact CB-CB 4.07Å; I324-L328 HydrophobicContact CB-CD2 4.42Å; I324-L328 HydrophobicContact CG2-CD1 4.13Å; I324-L328 HydrophobicContact CG2-CD2 4.11Å; H325-L328 HydrophobicContact CB-CD1 3.57Å; H325-L328 WeakPolarHBondContact O-CB 3.46Å; H325-L328 PolarHBondContact O-N 3.13Å; L328-K330 PolarHBondContact O-N 3.42Å; L328-E331 PolarHBondContact O-N 3.35Å; L328-F332 PolarHBondContact O-N 3.1Å; L328-L363 HydrophobicContact CD2-CD1 3.47Å; L328-L363 VanDerWaalsContact CD2-CD1 3.47Å |
| 329 | I | 88.5 | Confident | 90.8 | Very high | 48 Ų | 48 | 60.7 Ų | 60.7 | 25% | 0.246 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.2 | -29.7 | 179.8 | -159.3 | 64 | 0 | 0 | 0 | 112.4 | E318 C321 K326 N327 F332 | E318-I329 HydrophobicContact CB-CD1 4.12Å; E318-I329 HydrophobicContact CG-CD1 3.82Å; E318-I329 HydrophobicContact CG-CG1 4.38Å; C321-I329 HydrophobicContact CB-CD1 4.36Å; K326-I329 WeakPolarHBondContact O-CG2 3.33Å; N327-I329 PolarHBondContact O-N 3.18Å; I329-F332 WeakPolarHBondContact O-CB 3.32Å |
| 330 | K | 88.5 | Confident | 90.9 | Very high | 150 Ų | 150 | 62.3 Ų | 62.3 | 65% | 0.652 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -72.5 | -37.3 | 179.3 | -63.1 | -178.3 | 179.5 | 175.8 | 0 | 111.6 | N327 L328 | N327-K330 WeakPolarHBondContact O-CB 3.32Å; N327-K330 PolarHBondContact O-N 2.97Å; N327-K330 VanDerWaalsContact O-N 3.1Å; L328-K330 PolarHBondContact O-N 3.42Å |
| 331 | E | 89.8 | Confident | 91 | Very high | 88 Ų | 88 | 63.3 Ų | 63.3 | 41% | 0.411 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -86.7 | -6.3 | 179.3 | -65.5 | 177.6 | -178.2 | 0 | 0 | 112.9 | L328 K333 K365 K366 | L328-E331 PolarHBondContact O-N 3.35Å; E331-K333 PolarHBondContact O-N 3.1Å; E331-K365 HydrophobicContact CB-CB 4.47Å; E331-K365 HydrophobicContact CB-CD 4.44Å; E331-K365 HydrophobicContact CB-CG 4.35Å; E331-K365 CarbonylContact O-C 3.6Å; E331-K365 VanDerWaalsContact O-CA 3.22Å; E331-K365 WeakPolarHBondContact O-CA 3.31Å; E331-K365 WeakPolarHBondContact OE2-CD 3.38Å; E331-K365 WeakPolarHBondContact OE2-CE 3.3Å; E331-K365 IonicContact OE2-NZ 2.77Å; E331-K365 PolarHBondContact OE2-NZ 3Å; E331-K366 PolarHBondContact O-N 2.74Å |
| 332 | F | 92.2 | Very high | 91.1 | Very high | 24 Ų | 24 | 63.9 Ų | 63.9 | 11% | 0.105 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 127.6 | -175.3 | -178.1 | -95 | 0 | 0 | 0 | 112.3 | V317 L328 I329 Y334 A335 K351 L363 K366 | V317-F332 HydrophobicContact CG1-CE2 3.65Å; V317-F332 HydrophobicContact CG1-CZ 3.86Å; L328-F332 PolarHBondContact O-N 3.1Å; I329-F332 WeakPolarHBondContact O-CB 3.32Å; F332-Y334 VanDerWaalsContact CZ-C 3.48Å; F332-A335 HydrophobicContact CE2-CB 3.97Å; F332-A335 HydrophobicContact CZ-CB 4.19Å; F332-K351 HydrophobicContact CD1-CB 4.41Å; F332-K351 HydrophobicContact CE1-CB 4.03Å; F332-L363 HydrophobicContact CD2-CD2 4.2Å; F332-L363 HydrophobicContact CE2-CD2 3.92Å; F332-K366 WeakPolarHBondContact O-CE 3.48Å |
| 333 | K | 92.4 | Very high | 91.3 | Very high | 113 Ų | 113 | 69.3 Ų | 69.3 | 49% | 0.491 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | -53.5 | 172.5 | -160.8 | -175.7 | -164 | 144.2 | 0 | 111.3 | E331 V364 K366 | E331-K333 PolarHBondContact O-N 3.1Å; K333-V364 VanDerWaalsContact CB-O 3.25Å; K333-V364 WeakPolarHBondContact CB-O 3.17Å; K333-V364 HydrophobicContact CD-CG1 4.44Å; K333-V364 PolarHBondContact N-O 3.1Å; K333-K366 HydrophobicContact CB-CG 3.95Å; K333-K366 HydrophobicContact CG-CG 4.16Å; K333-K366 PolarHBondContact NZ-OXT 2.83Å |
| 334 | Y | 94.1 | Very high | 91.5 | Very high | 59 Ų | 59 | 71.2 Ų | 71.2 | 23% | 0.231 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.9 | 166.2 | 174.1 | 59.9 | -91.8 | 0 | 0 | 0 | 109.4 | F332 L336 K348 V364 | F332-Y334 VanDerWaalsContact CZ-C 3.48Å; Y334-L336 HydrophobicContact CD2-CD2 4.45Å; Y334-L336 HydrophobicContact CD2-CG 4.41Å; Y334-L336 HydrophobicContact CE2-CD2 4.11Å; Y334-L336 HydrophobicContact CE2-CG 4.05Å; Y334-K348 HydrophobicContact CD1-CD 4.38Å; Y334-K348 VanDerWaalsContact CD1-CE 3.48Å; Y334-K348 HydrophobicContact CD2-CD 3.9Å; Y334-K348 HydrophobicContact CD2-CG 3.66Å; Y334-K348 HydrophobicContact CE2-CD 4.25Å; Y334-K348 HydrophobicContact CE2-CG 4.34Å; Y334-K348 HydrophobicContact CG-CD 3.97Å; Y334-K348 HydrophobicContact CG-CG 3.93Å; Y334-V364 HydrophobicContact CD1-CB 4.25Å; Y334-V364 HydrophobicContact CD1-CG1 4.35Å; Y334-V364 HydrophobicContact CD2-CB 4.07Å; Y334-V364 HydrophobicContact CD2-CG2 4.02Å; Y334-V364 HydrophobicContact CE1-CB 4.02Å; Y334-V364 HydrophobicContact CE1-CG1 3.75Å; Y334-V364 HydrophobicContact CE1-CG2 4.48Å; Y334-V364 HydrophobicContact CE2-CB 3.83Å; Y334-V364 HydrophobicContact CE2-CG1 4.27Å; Y334-V364 HydrophobicContact CE2-CG2 3.49Å; Y334-V364 VanDerWaalsContact CE2-CG2 3.49Å; Y334-V364 HydrophobicContact CG-CB 4.28Å; Y334-V364 PolarHBondContact N-O 3.15Å; Y334-V364 WeakPolarHBondContact O-CB 3.19Å; Y334-V364 PolarHBondContact O-N 2.78Å |
| 335 | A | 94.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 148.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | V317 F332 V337 K348 V349 I361 Q362 L363 | V317-A335 HydrophobicContact CG1-CB 4.08Å; F332-A335 HydrophobicContact CE2-CB 3.97Å; F332-A335 HydrophobicContact CZ-CB 4.19Å; A335-V337 HydrophobicContact CB-CG2 4.47Å; A335-K348 WeakPolarHBondContact O-CA 3.36Å; A335-V349 HydrophobicContact CB-CG2 3.77Å; A335-V349 PolarHBondContact N-O 3.35Å; A335-V349 VanDerWaalsContact N-O 3.07Å; A335-V349 PolarHBondContact O-N 3.21Å; A335-I361 HydrophobicContact CB-CD1 3.79Å; A335-I361 HydrophobicContact CB-CG1 3.91Å; A335-Q362 WeakPolarHBondContact CA-O 3.34Å; A335-L363 HydrophobicContact CB-CD2 4Å |
| 336 | L | 94.8 | Very high | 91.7 | Very high | 39 Ų | 39 | 71 Ų | 71 | 20% | 0.204 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 124.2 | 163.1 | -65.6 | 171.9 | 0 | 0 | 0 | 107.2 | Y334 W338 P346 Q347 K348 I361 Q362 | Y334-L336 HydrophobicContact CD2-CD2 4.45Å; Y334-L336 HydrophobicContact CD2-CG 4.41Å; Y334-L336 HydrophobicContact CE2-CD2 4.11Å; Y334-L336 HydrophobicContact CE2-CG 4.05Å; L336-W338 HydrophobicContact CB-CH2 3.81Å; L336-W338 HydrophobicContact CB-CZ3 3.97Å; L336-W338 HydrophobicContact CD1-CH2 4.42Å; L336-W338 WeakPolarHBondContact O-CZ3 3.47Å; L336-P346 HydrophobicContact CB-CB 4.47Å; L336-Q347 WeakPolarHBondContact CA-O 3.42Å; L336-K348 HydrophobicContact CD2-CB 4.27Å; L336-I361 WeakPolarHBondContact O-CA 3.44Å; L336-Q362 HydrophobicContact CB-CB 4.34Å; L336-Q362 PolarHBondContact N-O 3.37Å; L336-Q362 PolarHBondContact O-N 3.19Å |
| 337 | V | 95.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 139.9 | 179.7 | 175.2 | 0 | 0 | 0 | 0 | 109.4 | A335 V342 P346 Q347 V349 D359 V360 I361 | A335-V337 HydrophobicContact CB-CG2 4.47Å; V337-V342 HydrophobicContact CB-CG1 3.87Å; V337-V342 HydrophobicContact CG1-CG1 3.82Å; V337-V342 HydrophobicContact CG1-CG2 4.31Å; V337-P346 VanDerWaalsContact O-CA 3.3Å; V337-P346 WeakPolarHBondContact O-CA 3.49Å; V337-Q347 PolarHBondContact N-O 3.31Å; V337-Q347 PolarHBondContact O-N 3.46Å; V337-V349 HydrophobicContact CB-CG2 4.37Å; V337-V349 HydrophobicContact CG2-CG2 3.56Å; V337-D359 HydrophobicContact CG1-CB 4.33Å; V337-V360 WeakPolarHBondContact CA-O 3.34Å; V337-I361 HydrophobicContact CG2-CB 4.42Å; V337-I361 HydrophobicContact CG2-CD1 4.28Å; V337-I361 HydrophobicContact CG2-CG1 4.04Å |
| 338 | W | 95 | Very high | 92.5 | Very high | 54 Ų | 54 | 69.1 Ų | 69.1 | 21% | 0.205 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 131.4 | 167.9 | -58.1 | -104 | 0 | 0 | 0 | 107.7 | K296 L336 N345 P346 V360 Q362 | K296-W338 HydrophobicContact CD-CE3 4.23Å; K296-W338 HydrophobicContact CD-CH2 3.75Å; K296-W338 HydrophobicContact CD-CZ2 4.24Å; K296-W338 HydrophobicContact CD-CZ3 3.73Å; K296-W338 VanDerWaalsContact NZ-CZ2 3.3Å; L336-W338 HydrophobicContact CB-CH2 3.81Å; L336-W338 HydrophobicContact CB-CZ3 3.97Å; L336-W338 HydrophobicContact CD1-CH2 4.42Å; L336-W338 WeakPolarHBondContact O-CZ3 3.47Å; W338-N345 WeakPolarHBondContact CA-OD1 3.35Å; W338-P346 HydrophobicContact CD2-CB 3.91Å; W338-P346 VanDerWaalsContact CE2-CB 3.43Å; W338-P346 HydrophobicContact CG-CB 4.15Å; W338-P346 HydrophobicContact CH2-CB 4.48Å; W338-P346 HydrophobicContact CZ2-CB 3.75Å; W338-P346 HydrophobicContact CZ2-CG 3.86Å; W338-V360 HydrophobicContact CB-CB 4.25Å; W338-V360 HydrophobicContact CE3-CB 4.24Å; W338-V360 HydrophobicContact CE3-CG1 3.98Å; W338-V360 PolarHBondContact N-O 3.14Å; W338-V360 PolarHBondContact O-N 3.45Å; W338-Q362 HydrophobicContact CH2-CB 3.82Å; W338-Q362 HydrophobicContact CZ3-CB 3.6Å |
| 339 | G | 93.2 | Very high | 92.8 | Very high | 25 Ų | 25 | 68 Ų | 68 | 26% | 0.258 | 33% | 0.334 | S | S | . | . | S | Bend | trans | 146.9 | -163.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | V342 N345 D359 | G339-V342 WeakPolarHBondContact O-CG2 3.36Å; G339-N345 PolarHBondContact N-OD1 3.46Å; G339-D359 VanDerWaalsContact CA-OD1 3.26Å; G339-D359 WeakPolarHBondContact CA-OD1 3.4Å |
| 340 | S | 92.7 | Very high | 93.1 | Very high | 79 Ų | 79 | 67.8 Ų | 67.8 | 55% | 0.552 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -22.4 | -173.9 | 55.5 | 0 | 0 | 0 | 0 | 113 | V342 E356 D359 | S340-V342 PolarHBondContact O-N 2.81Å; S340-E356 WeakPolarHBondContact CB-OE2 3.38Å; S340-E356 WeakPolarHBondContact OG-CB 3.44Å; S340-E356 PolarHBondContact OG-OE2 3.34Å; S340-D359 PolarHBondContact N-OD1 3.46Å |
| 341 | S | 92.8 | Very high | 93.3 | Very high | 22 Ų | 22 | 64.9 Ų | 64.9 | 15% | 0.154 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -15.3 | 177.5 | 72.4 | 0 | 0 | 0 | 0 | 114 | H353 V354 D359 | S341-H353 PolarHBondContact O-CE1 2.82Å; S341-H353 VanDerWaalsContact O-CE1 3.29Å; S341-H353 PolarHBondContact OG-NE2 2.77Å; S341-V354 WeakPolarHBondContact CB-O 3.39Å; S341-D359 WeakPolarHBondContact CB-OD2 3.43Å; S341-D359 PolarHBondContact OG-OD2 3.33Å |
| 342 | V | 93.9 | Very high | 93.5 | Very high | 13 Ų | 13 | 66.1 Ų | 66.1 | 8% | 0.079 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -116 | 147.4 | -177.2 | -67.1 | 0 | 0 | 0 | 0 | 111.6 | V337 G339 S340 H344 Q347 V349 | V337-V342 HydrophobicContact CB-CG1 3.87Å; V337-V342 HydrophobicContact CG1-CG1 3.82Å; V337-V342 HydrophobicContact CG1-CG2 4.31Å; G339-V342 WeakPolarHBondContact O-CG2 3.36Å; S340-V342 PolarHBondContact O-N 2.81Å; V342-H344 WeakPolarHBondContact CG2-O 3.09Å; V342-Q347 HydrophobicContact CB-CB 3.8Å; V342-Q347 HydrophobicContact CG1-CB 3.87Å; V342-Q347 HydrophobicContact CG1-CG 4.5Å; V342-Q347 HydrophobicContact CG2-CB 4.42Å; V342-V349 HydrophobicContact CG1-CG1 3.92Å |
| 343 | K | 92.4 | Very high | 93.6 | Very high | 191 Ų | 191 | 67 Ų | 67 | 83% | 0.83 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -81 | -24.9 | -179.9 | -66.8 | -174.6 | 178.7 | -177.5 | 0 | 112.8 | Q347 | K343-Q347 VanDerWaalsContact N-OE1 3.08Š|
| 344 | H | 91.9 | Very high | 93.7 | Very high | 138 Ų | 138 | 65.9 Ų | 65.9 | 64% | 0.639 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -128.1 | 139.7 | -179.2 | -62.3 | -68.7 | 0 | 0 | 0 | 110.1 | V342 P346 Q347 | V342-H344 WeakPolarHBondContact CG2-O 3.09Å; H344-P346 CarbonylContact O-C 3.58Å; H344-Q347 VanDerWaalsContact O-CB 3.26Å; H344-Q347 WeakPolarHBondContact O-CB 3.17Å; H344-Q347 PolarHBondContact O-N 2.84Å |
| 345 | N | 90.1 | Very high | 93.6 | Very high | 109 Ų | 109 | 63.2 Ų | 63.2 | 58% | 0.583 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -108.3 | 115.5 | -177.9 | -76.8 | -39.5 | 0 | 0 | 0 | 111.3 | W338 G339 | W338-N345 WeakPolarHBondContact CA-OD1 3.35Å; G339-N345 PolarHBondContact N-OD1 3.46Å |
| 346 | P | 91.2 | Very high | 93.6 | Very high | 64 Ų | 64 | 67.8 Ų | 67.8 | 42% | 0.416 | 36% | 0.358 | S | S | . | . | S | Bend | cis | -77.1 | 157.4 | -16.1 | 26.2 | -26.1 | 0 | 0 | 0 | 113.8 | L336 V337 W338 H344 | L336-P346 HydrophobicContact CB-CB 4.47Å; V337-P346 VanDerWaalsContact O-CA 3.3Å; V337-P346 WeakPolarHBondContact O-CA 3.49Å; W338-P346 HydrophobicContact CD2-CB 3.91Å; W338-P346 VanDerWaalsContact CE2-CB 3.43Å; W338-P346 HydrophobicContact CG-CB 4.15Å; W338-P346 HydrophobicContact CH2-CB 4.48Å; W338-P346 HydrophobicContact CZ2-CB 3.75Å; W338-P346 HydrophobicContact CZ2-CG 3.86Å; H344-P346 CarbonylContact O-C 3.58Å |
| 347 | Q | 95 | Very high | 93.5 | Very high | 67 Ų | 67 | 68.6 Ų | 68.6 | 31% | 0.313 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 141.7 | 170 | -175 | 169.6 | -15 | 0 | 0 | 110.8 | L336 V337 V342 K343 H344 V349 | L336-Q347 WeakPolarHBondContact CA-O 3.42Å; V337-Q347 PolarHBondContact N-O 3.31Å; V337-Q347 PolarHBondContact O-N 3.46Å; V342-Q347 HydrophobicContact CB-CB 3.8Å; V342-Q347 HydrophobicContact CG1-CB 3.87Å; V342-Q347 HydrophobicContact CG1-CG 4.5Å; V342-Q347 HydrophobicContact CG2-CB 4.42Å; K343-Q347 VanDerWaalsContact N-OE1 3.08Å; H344-Q347 VanDerWaalsContact O-CB 3.26Å; H344-Q347 WeakPolarHBondContact O-CB 3.17Å; H344-Q347 PolarHBondContact O-N 2.84Å; Q347-V349 HydrophobicContact CG-CG1 4.34Å |
| 348 | K | 95.2 | Very high | 93.3 | Very high | 135 Ų | 135 | 73.6 Ų | 73.6 | 59% | 0.587 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 121.3 | 172.2 | 179.8 | 175 | 172.9 | 179.8 | 0 | 109.3 | Y334 A335 L336 | Y334-K348 HydrophobicContact CD1-CD 4.38Å; Y334-K348 VanDerWaalsContact CD1-CE 3.48Å; Y334-K348 HydrophobicContact CD2-CD 3.9Å; Y334-K348 HydrophobicContact CD2-CG 3.66Å; Y334-K348 HydrophobicContact CE2-CD 4.25Å; Y334-K348 HydrophobicContact CE2-CG 4.34Å; Y334-K348 HydrophobicContact CG-CD 3.97Å; Y334-K348 HydrophobicContact CG-CG 3.93Å; A335-K348 WeakPolarHBondContact O-CA 3.36Å; L336-K348 HydrophobicContact CD2-CB 4.27Å |
| 349 | V | 95.4 | Very high | 93.3 | Very high | 10 Ų | 10 | 71 Ų | 71 | 6% | 0.061 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 155.6 | -177.3 | -55.8 | 0 | 0 | 0 | 0 | 112.1 | V317 A335 V337 V342 Q347 H353 | V317-V349 HydrophobicContact CG2-CG2 4.11Å; A335-V349 HydrophobicContact CB-CG2 3.77Å; A335-V349 PolarHBondContact N-O 3.35Å; A335-V349 VanDerWaalsContact N-O 3.07Å; A335-V349 PolarHBondContact O-N 3.21Å; V337-V349 HydrophobicContact CB-CG2 4.37Å; V337-V349 HydrophobicContact CG2-CG2 3.56Å; V342-V349 HydrophobicContact CG1-CG1 3.92Å; Q347-V349 HydrophobicContact CG-CG1 4.34Å; V349-H353 HydrophobicContact CB-CB 3.71Å; V349-H353 HydrophobicContact CG1-CB 4.32Å; V349-H353 HydrophobicContact CG2-CB 4Å |
| 350 | G | 93.8 | Very high | 93.4 | Very high | 43 Ų | 43 | 70.4 Ų | 70.4 | 44% | 0.443 | 37% | 0.368 | S | S | . | . | trans | -86.4 | -173.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 351 | K | 92.6 | Very high | 93.5 | Very high | 89 Ų | 89 | 66.8 Ų | 66.8 | 39% | 0.387 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -29.9 | 179.4 | 59.9 | 169.5 | -166 | 145.9 | 0 | 113.7 | V317 E318 F332 H353 | V317-K351 PolarHBondContact N-O 3.35Å; E318-K351 HydrophobicContact CB-CB 4.39Å; E318-K351 PolarHBondContact N-O 2.98Å; E318-K351 IonicContact OE2-NZ 3.64Å; F332-K351 HydrophobicContact CD1-CB 4.41Å; F332-K351 HydrophobicContact CE1-CB 4.03Å; K351-H353 VanDerWaalsContact C-N 3.26Å; K351-H353 PolarHBondContact O-N 3.14Å |
| 352 | D | 93.5 | Very high | 93.6 | Very high | 114 Ų | 114 | 66.9 Ų | 66.9 | 61% | 0.61 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | 0.6 | -176 | -49.2 | -57.7 | 0 | 0 | 0 | 112.5 | V354 | D352-V354 PolarHBondContact O-N 3.19Š|
| 353 | H | 94.4 | Very high | 93.6 | Very high | 44 Ų | 44 | 68.6 Ų | 68.6 | 20% | 0.204 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -67.5 | 130.9 | 178.2 | -177.7 | 75.8 | 0 | 0 | 0 | 110.4 | S316 V317 S341 V349 K351 | S316-H353 CarbonylContact C-O 3.56Å; S316-H353 VanDerWaalsContact CA-O 3.28Å; S316-H353 WeakPolarHBondContact CA-O 3.46Å; V317-H353 HydrophobicContact CG2-CB 4.07Å; V317-H353 PolarHBondContact N-O 2.84Å; S341-H353 PolarHBondContact O-CE1 2.82Å; S341-H353 VanDerWaalsContact O-CE1 3.29Å; S341-H353 PolarHBondContact OG-NE2 2.77Å; V349-H353 HydrophobicContact CB-CB 3.71Å; V349-H353 HydrophobicContact CG1-CB 4.32Å; V349-H353 HydrophobicContact CG2-CB 4Å; K351-H353 VanDerWaalsContact C-N 3.26Å; K351-H353 PolarHBondContact O-N 3.14Å |
| 354 | V | 94.4 | Very high | 93.5 | Very high | 89 Ų | 89 | 61 Ų | 61 | 54% | 0.539 | 32% | 0.318 | S | S | . | . | B | Isolated β-bridge | trans | -90.1 | 121.4 | 179.3 | -176.9 | 0 | 0 | 0 | 0 | 108.2 | T315 S341 D352 | T315-V354 VanDerWaalsContact OG1-CG1 3.27Å; T315-V354 WeakPolarHBondContact OG1-CG1 3.29Å; S341-V354 WeakPolarHBondContact CB-O 3.39Å; D352-V354 PolarHBondContact O-N 3.19Å |
| 355 | M | 93.6 | Very high | 93.4 | Very high | 3 Ų | 3 | 60.1 Ų | 60.1 | 2% | 0.015 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -90 | 156.8 | 178.1 | -69.3 | 172 | -70.6 | 0 | 0 | 111.7 | I293 L310 T315 S316 V317 F320 D359 I361 | I293-M355 HydrophobicContact CD1-CB 4.07Å; I293-M355 HydrophobicContact CD1-CE 3.42Å; I293-M355 VanDerWaalsContact CD1-CE 3.42Å; I293-M355 HydrophobicContact CD1-SD 3.69Å; I293-M355 HydrophobicContact CG1-CB 4.34Å; I293-M355 HydrophobicContact CG1-CE 4.47Å; I293-M355 HydrophobicContact CG1-SD 4.14Å; I293-M355 HydrophobicContact CG2-SD 4.11Å; L310-M355 HydrophobicContact CD1-CE 4.27Å; T315-M355 WeakPolarHBondContact O-CE 3.41Å; T315-M355 PolarHBondContact O-N 2.71Å; S316-M355 VanDerWaalsContact C-CE 3.48Å; S316-M355 VanDerWaalsContact O-CE 3.32Å; S316-M355 WeakPolarHBondContact O-CE 3.45Å; V317-M355 HydrophobicContact CB-CE 4.34Å; V317-M355 HydrophobicContact CG2-CE 3.91Å; V317-M355 HydrophobicContact CG2-CG 4.22Å; V317-M355 HydrophobicContact CG2-SD 3.95Å; F320-M355 HydrophobicContact CB-CE 3.66Å; F320-M355 HydrophobicContact CG-CE 4.27Å; M355-D359 WeakPolarHBondContact CA-OD2 3.28Å; M355-D359 HydrophobicContact CB-CB 4.49Å; M355-D359 WeakPolarHBondContact CB-OD2 3.35Å; M355-I361 HydrophobicContact SD-CD1 3.81Å |
| 356 | E | 93.1 | Very high | 93 | Very high | 96 Ų | 96 | 63.9 Ų | 63.9 | 45% | 0.449 | 32% | 0.323 | S | S | . | . | trans | -112.3 | 168.3 | 176.8 | -68.5 | -176.4 | -179.1 | 0 | 0 | 111.1 | V291 S340 D359 | V291-E356 WeakPolarHBondContact CG1-O 3.41Å; S340-E356 WeakPolarHBondContact CB-OE2 3.38Å; S340-E356 WeakPolarHBondContact OG-CB 3.44Å; S340-E356 PolarHBondContact OG-OE2 3.34Å; E356-D359 PolarHBondContact N-OD2 3.43Å; E356-D359 WeakPolarHBondContact O-CB 3.31Å; E356-D359 PolarHBondContact O-N 3.35Å | ||
| 357 | D | 93 | Very high | 93.1 | Very high | 55 Ų | 55 | 63.9 Ų | 63.9 | 29% | 0.294 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | 138.6 | -178.1 | -169.3 | 40.6 | 0 | 0 | 0 | 111 | R292 D359 | R292-D357 VanDerWaalsContact CB-OD1 3.27Å; R292-D357 WeakPolarHBondContact CB-OD1 3.46Å; R292-D357 IonicContact CZ-OD1 2.78Å; R292-D357 IonicContact CZ-OD2 3.74Å; R292-D357 PolarHBondContact N-OD1 3.44Å; R292-D357 IonicContact NE-OD1 3.64Å; R292-D357 PolarHBondContact NE-OD1 3.47Å; R292-D357 VanDerWaalsContact NE-OD1 3.07Å; R292-D357 IonicContact NE-OD2 2.68Å; R292-D357 PolarHBondContact NE-OD2 3.48Å; R292-D357 IonicContact NH2-OD1 3.53Å; R292-D357 IonicContact NH2-OD2 3.21Å; R292-D357 PolarHBondContact NH2-OD2 3.12Å; D357-D359 PolarHBondContact O-N 3.23Å |
| 358 | E | 92.8 | Very high | 93 | Very high | 105 Ų | 105 | 63.7 Ų | 63.7 | 49% | 0.491 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.3 | 11 | -176.8 | -50.9 | -170.1 | 154.9 | 0 | 0 | 116.2 | R292 Y294 | R292-E358 IonicContact CZ-OE1 3.6Å; R292-E358 IonicContact NH1-OE1 3.99Å; R292-E358 PolarHBondContact NH1-OE1 3.11Å; R292-E358 VanDerWaalsContact NH1-OE1 3.15Å; R292-E358 VanDerWaalsContact NH2-CD 3.34Å; R292-E358 VanDerWaalsContact NH2-CG 3.35Å; R292-E358 IonicContact NH2-OE1 2.72Å; R292-E358 PolarHBondContact NH2-OE1 3.46Å; R292-E358 WeakPolarHBondContact O-CA 3.28Å; R292-E358 PolarHBondContact O-N 3.2Å; Y294-E358 HydrophobicContact CE2-CB 3.96Å; Y294-E358 HydrophobicContact CE2-CG 4.14Å |
| 359 | D | 94.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 30% | 0.304 | C | S | . | . | trans | -58.8 | 143.1 | 170 | -84 | -12.2 | 0 | 0 | 0 | 111.6 | I293 Y294 V337 G339 S340 S341 M355 E356 D357 | I293-D359 CarbonylContact C-O 3.49Å; I293-D359 WeakPolarHBondContact CA-O 3.43Å; Y294-D359 PolarHBondContact N-O 3.49Å; V337-D359 HydrophobicContact CG1-CB 4.33Å; G339-D359 VanDerWaalsContact CA-OD1 3.26Å; G339-D359 WeakPolarHBondContact CA-OD1 3.4Å; S340-D359 PolarHBondContact N-OD1 3.46Å; S341-D359 WeakPolarHBondContact CB-OD2 3.43Å; S341-D359 PolarHBondContact OG-OD2 3.33Å; M355-D359 WeakPolarHBondContact CA-OD2 3.28Å; M355-D359 HydrophobicContact CB-CB 4.49Å; M355-D359 WeakPolarHBondContact CB-OD2 3.35Å; E356-D359 PolarHBondContact N-OD2 3.43Å; E356-D359 WeakPolarHBondContact O-CB 3.31Å; E356-D359 PolarHBondContact O-N 3.35Å; D357-D359 PolarHBondContact O-N 3.23Å | ||
| 360 | V | 95.4 | Very high | 92.7 | Very high | 13 Ų | 13 | 62.6 Ų | 62.6 | 8% | 0.079 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 130.8 | 172.6 | -178.9 | 0 | 0 | 0 | 0 | 108.9 | Y294 K296 P302 Y304 V337 W338 | Y294-V360 CarbonylContact O-C 3.54Å; Y294-V360 WeakPolarHBondContact O-CA 3.43Å; K296-V360 HydrophobicContact CB-CG1 3.61Å; K296-V360 HydrophobicContact CD-CG1 4.14Å; K296-V360 HydrophobicContact CG-CG1 4.42Å; P302-V360 HydrophobicContact CB-CG1 3.85Å; P302-V360 HydrophobicContact CB-CG2 4.39Å; P302-V360 HydrophobicContact CG-CG1 3.78Å; P302-V360 HydrophobicContact CG-CG2 4.43Å; Y304-V360 HydrophobicContact CE1-CG2 4.4Å; V337-V360 WeakPolarHBondContact CA-O 3.34Å; W338-V360 HydrophobicContact CB-CB 4.25Å; W338-V360 HydrophobicContact CE3-CB 4.24Å; W338-V360 HydrophobicContact CE3-CG1 3.98Å; W338-V360 PolarHBondContact N-O 3.14Å; W338-V360 PolarHBondContact O-N 3.45Å |
| 361 | I | 94.8 | Very high | 92.6 | Very high | 3 Ų | 3 | 63.9 Ų | 63.9 | 2% | 0.015 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 135.6 | -179.7 | -169 | 169.7 | 0 | 0 | 0 | 112.6 | I293 Y294 K296 V317 F320 A335 L336 V337 M355 L363 | I293-I361 HydrophobicContact CG2-CB 4.07Å; I293-I361 HydrophobicContact CG2-CG2 3.41Å; I293-I361 VanDerWaalsContact CG2-CG2 3.41Å; Y294-I361 PolarHBondContact O-N 3.25Å; K296-I361 PolarHBondContact N-O 2.79Å; V317-I361 HydrophobicContact CG1-CD1 3.98Å; V317-I361 HydrophobicContact CG2-CD1 4.11Å; F320-I361 HydrophobicContact CD1-CD1 4.11Å; F320-I361 HydrophobicContact CD1-CG2 4.3Å; F320-I361 HydrophobicContact CD2-CG2 4.49Å; F320-I361 HydrophobicContact CE1-CD1 4.21Å; F320-I361 HydrophobicContact CE1-CG2 3.54Å; F320-I361 HydrophobicContact CE2-CG2 3.75Å; F320-I361 HydrophobicContact CZ-CG2 3.21Å; A335-I361 HydrophobicContact CB-CD1 3.79Å; A335-I361 HydrophobicContact CB-CG1 3.91Å; L336-I361 WeakPolarHBondContact O-CA 3.44Å; V337-I361 HydrophobicContact CG2-CB 4.42Å; V337-I361 HydrophobicContact CG2-CD1 4.28Å; V337-I361 HydrophobicContact CG2-CG1 4.04Å; M355-I361 HydrophobicContact SD-CD1 3.81Å; I361-L363 HydrophobicContact CD1-CD2 3.7Å; I361-L363 HydrophobicContact CG1-CD2 4.06Å |
| 362 | Q | 94.3 | Very high | 92.6 | Very high | 23 Ų | 23 | 62.2 Ų | 62.2 | 11% | 0.107 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 115 | 167.6 | 177.6 | 179.5 | -34.9 | 0 | 0 | 109.3 | K296 A335 L336 W338 | K296-Q362 HydrophobicContact CB-CB 4.41Å; K296-Q362 WeakPolarHBondContact O-CA 3.39Å; K296-Q362 VanDerWaalsContact O-CB 3.23Å; K296-Q362 WeakPolarHBondContact O-CB 3.49Å; K296-Q362 VanDerWaalsContact O-CG 3.23Å; K296-Q362 WeakPolarHBondContact O-CG 3.42Å; A335-Q362 WeakPolarHBondContact CA-O 3.34Å; L336-Q362 HydrophobicContact CB-CB 4.34Å; L336-Q362 PolarHBondContact N-O 3.37Å; L336-Q362 PolarHBondContact O-N 3.19Å; W338-Q362 HydrophobicContact CH2-CB 3.82Å; W338-Q362 HydrophobicContact CZ3-CB 3.6Å |
| 363 | L | 93.2 | Very high | 92.6 | Very high | 50 Ų | 50 | 58.5 Ų | 58.5 | 26% | 0.262 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 133.4 | 177.5 | -61.9 | -179.4 | 0 | 0 | 0 | 111 | V317 F320 L328 F332 A335 I361 | V317-L363 HydrophobicContact CG1-CD2 4.35Å; F320-L363 HydrophobicContact CD1-CD1 4.31Å; F320-L363 HydrophobicContact CE1-CD1 3.91Å; F320-L363 HydrophobicContact CE1-CD2 4.43Å; F320-L363 HydrophobicContact CE1-CG 4.22Å; L328-L363 HydrophobicContact CD2-CD1 3.47Å; L328-L363 VanDerWaalsContact CD2-CD1 3.47Å; F332-L363 HydrophobicContact CD2-CD2 4.2Å; F332-L363 HydrophobicContact CE2-CD2 3.92Å; A335-L363 HydrophobicContact CB-CD2 4Å; I361-L363 HydrophobicContact CD1-CD2 3.7Å; I361-L363 HydrophobicContact CG1-CD2 4.06Å |
| 364 | V | 91.9 | Very high | 92.4 | Very high | 31 Ų | 31 | 59.6 Ų | 59.6 | 19% | 0.188 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 121 | 171.8 | -177.1 | 0 | 0 | 0 | 0 | 108.9 | K333 Y334 | K333-V364 VanDerWaalsContact CB-O 3.25Å; K333-V364 WeakPolarHBondContact CB-O 3.17Å; K333-V364 HydrophobicContact CD-CG1 4.44Å; K333-V364 PolarHBondContact N-O 3.1Å; Y334-V364 HydrophobicContact CD1-CB 4.25Å; Y334-V364 HydrophobicContact CD1-CG1 4.35Å; Y334-V364 HydrophobicContact CD2-CB 4.07Å; Y334-V364 HydrophobicContact CD2-CG2 4.02Å; Y334-V364 HydrophobicContact CE1-CB 4.02Å; Y334-V364 HydrophobicContact CE1-CG1 3.75Å; Y334-V364 HydrophobicContact CE1-CG2 4.48Å; Y334-V364 HydrophobicContact CE2-CB 3.83Å; Y334-V364 HydrophobicContact CE2-CG1 4.27Å; Y334-V364 HydrophobicContact CE2-CG2 3.49Å; Y334-V364 VanDerWaalsContact CE2-CG2 3.49Å; Y334-V364 HydrophobicContact CG-CB 4.28Å; Y334-V364 PolarHBondContact N-O 3.15Å; Y334-V364 WeakPolarHBondContact O-CB 3.19Å; Y334-V364 PolarHBondContact O-N 2.78Å |
| 365 | K | 89.6 | Confident | 92.3 | Very high | 120 Ų | 120 | 57.2 Ų | 57.2 | 52% | 0.522 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 157.6 | 177.2 | -61.4 | -177.1 | 173.4 | -156.1 | 0 | 111 | E331 | E331-K365 HydrophobicContact CB-CB 4.47Å; E331-K365 HydrophobicContact CB-CD 4.44Å; E331-K365 HydrophobicContact CB-CG 4.35Å; E331-K365 CarbonylContact O-C 3.6Å; E331-K365 VanDerWaalsContact O-CA 3.22Å; E331-K365 WeakPolarHBondContact O-CA 3.31Å; E331-K365 WeakPolarHBondContact OE2-CD 3.38Å; E331-K365 WeakPolarHBondContact OE2-CE 3.3Å; E331-K365 IonicContact OE2-NZ 2.77Å; E331-K365 PolarHBondContact OE2-NZ 3Å |
| 366 | K | 80.6 | Confident | 92.1 | Very high | 187 Ų | 187 | 62.1 Ų | 62.1 | 81% | 0.813 | 29% | 0.293 | S | S | * | . | trans | -56.6 | 0 | -174.8 | -84.9 | -179.3 | 177.8 | 170.1 | 0 | 113.9 | E331 F332 K333 | E331-K366 PolarHBondContact O-N 2.74Å; F332-K366 WeakPolarHBondContact O-CE 3.48Å; K333-K366 HydrophobicContact CB-CG 3.95Å; K333-K366 HydrophobicContact CG-CG 4.16Å; K333-K366 PolarHBondContact NZ-OXT 2.83Å |
Retrieved 366 of 366 residues in 103 ms
(Link to these results)