| 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 | 61.5 | Low | 81.9 | Confident | 58 Ų | 58 | 52.3 Ų | 52.3 | 29% | 0.286 | 34% | 0.336 | S | S | . | . | 0 | -35.9 | 0 | -68.5 | -176.7 | 87.4 | 0 | 0 | 113.8 | A3 L4 L9 L13 I48 | M1-A3 PolarHBondContact O-N 2.89Å; M1-A3 VanDerWaalsContact O-N 3.16Å; M1-L4 HydrophobicContact CB-CD1 4.41Å; M1-L4 HydrophobicContact CG-CD1 4.35Å; M1-L4 WeakPolarHBondContact O-CB 3.19Å; M1-L4 PolarHBondContact O-N 3.3Å; M1-L9 HydrophobicContact CB-CD1 3.88Å; M1-L9 HydrophobicContact CE-CD1 4.1Å; M1-L13 HydrophobicContact CE-CD2 4.28Å; M1-L13 HydrophobicContact CE-CG 4.5Å; M1-I48 HydrophobicContact SD-CB 4.08Å; M1-I48 HydrophobicContact SD-CD1 4.33Å; M1-I48 HydrophobicContact SD-CG1 4.29Å | |||
| 2 | A | 63.8 | Low | 82.4 | Confident | 56 Ų | 56 | 50.5 Ų | 50.5 | 46% | 0.463 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -25.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | L4 R34 T38 | A2-L4 VanDerWaalsContact C-N 3.34Å; A2-R34 PolarHBondContact O-NH1 2.94Å; A2-T38 HydrophobicContact CB-CG2 4.21Å |
| 3 | A | 72.4 | Confident | 83 | Confident | 109 Ų | 109 | 46.7 Ų | 46.7 | 90% | 0.901 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -3.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | M1 | M1-A3 PolarHBondContact O-N 2.89Å; M1-A3 VanDerWaalsContact O-N 3.16Å |
| 4 | L | 79.4 | Confident | 83.4 | Confident | 78 Ų | 78 | 45.6 Ų | 45.6 | 41% | 0.408 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -77.9 | 148.5 | 177.7 | -63.7 | 170.4 | 0 | 0 | 0 | 110.7 | M1 A2 L9 R34 | M1-L4 HydrophobicContact CB-CD1 4.41Å; M1-L4 HydrophobicContact CG-CD1 4.35Å; M1-L4 WeakPolarHBondContact O-CB 3.19Å; M1-L4 PolarHBondContact O-N 3.3Å; A2-L4 VanDerWaalsContact C-N 3.34Å; L4-L9 HydrophobicContact CB-CB 4.36Å; L4-R34 PolarHBondContact O-NH1 2.85Å; L4-R34 PolarHBondContact O-NH2 2.86Å |
| 5 | D | 88.7 | Confident | 83.9 | Confident | 90 Ų | 90 | 44 Ų | 44 | 48% | 0.481 | 30% | 0.297 | S | S | . | . | trans | -58.8 | 151.3 | 167.2 | 72.7 | -85.4 | 0 | 0 | 0 | 110 | L7 S8 L9 | D5-L7 PolarHBondContact O-N 3.23Å; D5-L7 WeakPolarHBondContact OD2-CB 3.5Å; D5-L7 PolarHBondContact OD2-N 2.92Å; D5-L7 VanDerWaalsContact OD2-N 3.13Å; D5-S8 VanDerWaalsContact CG-OG 3.31Å; D5-S8 PolarHBondContact O-N 3.34Å; D5-S8 WeakPolarHBondContact OD1-CB 3.22Å; D5-S8 PolarHBondContact OD1-OG 3.22Å; D5-S8 PolarHBondContact OD2-N 3.32Å; D5-S8 PolarHBondContact OD2-OG 2.78Å; D5-L9 WeakPolarHBondContact O-CB 3.5Å; D5-L9 PolarHBondContact O-N 3.21Å | ||
| 6 | S | 85.3 | Confident | 84.4 | Confident | 34 Ų | 34 | 45.7 Ų | 45.7 | 24% | 0.238 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.7 | -30.8 | -171 | -63.7 | 0 | 0 | 0 | 0 | 112.9 | F10 R34 | S6-F10 WeakPolarHBondContact O-CB 3.4Å; S6-F10 WeakPolarHBondContact O-CD1 3.41Å; S6-F10 WeakPolarHBondContact O-CD2 3.25Å; S6-F10 WeakPolarHBondContact O-CG 3.46Å; S6-F10 PolarHBondContact O-N 2.94Å; S6-R34 PolarHBondContact OG-NH2 3.02Å |
| 7 | L | 88.9 | Confident | 84.8 | Confident | 45 Ų | 45 | 49.5 Ų | 49.5 | 24% | 0.236 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -70.3 | -48.2 | 179.9 | -175.9 | 65.3 | 0 | 0 | 0 | 110.4 | D5 L9 F10 T11 A20 R21 | D5-L7 PolarHBondContact O-N 3.23Å; D5-L7 WeakPolarHBondContact OD2-CB 3.5Å; D5-L7 PolarHBondContact OD2-N 2.92Å; D5-L7 VanDerWaalsContact OD2-N 3.13Å; L7-L9 VanDerWaalsContact C-N 3.32Å; L7-L9 PolarHBondContact O-N 3.3Å; L7-F10 PolarHBondContact O-N 2.92Å; L7-T11 PolarHBondContact O-N 3.32Å; L7-T11 VanDerWaalsContact O-N 3.09Å; L7-T11 PolarHBondContact O-OG1 3.27Å; L7-T11 VanDerWaalsContact O-OG1 3.12Å; L7-A20 HydrophobicContact CD1-CB 3.82Å; L7-R21 HydrophobicContact CD1-CG 3.81Å |
| 8 | S | 88.6 | Confident | 85.2 | Confident | 51 Ų | 51 | 54.5 Ų | 54.5 | 36% | 0.357 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.2 | -35.2 | 175.9 | -59.6 | 0 | 0 | 0 | 0 | 112.8 | D5 T11 G12 | D5-S8 VanDerWaalsContact CG-OG 3.31Å; D5-S8 PolarHBondContact O-N 3.34Å; D5-S8 WeakPolarHBondContact OD1-CB 3.22Å; D5-S8 PolarHBondContact OD1-OG 3.22Å; D5-S8 PolarHBondContact OD2-N 3.32Å; D5-S8 PolarHBondContact OD2-OG 2.78Å; S8-T11 PolarHBondContact O-OG1 2.89Å; S8-G12 PolarHBondContact O-N 3.49Å |
| 9 | L | 90.1 | Very high | 85.5 | Confident | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.005 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.7 | -48.6 | 174.7 | 178.8 | 62 | 0 | 0 | 0 | 111.2 | M1 L4 D5 L7 G12 L13 R34 | M1-L9 HydrophobicContact CB-CD1 3.88Å; M1-L9 HydrophobicContact CE-CD1 4.1Å; L4-L9 HydrophobicContact CB-CB 4.36Å; D5-L9 WeakPolarHBondContact O-CB 3.5Å; D5-L9 PolarHBondContact O-N 3.21Å; L7-L9 VanDerWaalsContact C-N 3.32Å; L7-L9 PolarHBondContact O-N 3.3Å; L9-G12 PolarHBondContact O-N 2.77Å; L9-L13 HydrophobicContact CG-CD1 4.41Å; L9-L13 WeakPolarHBondContact O-CG 3.31Å; L9-L13 PolarHBondContact O-N 3.47Å; L9-R34 HydrophobicContact CD2-CB 4.11Å; L9-R34 HydrophobicContact CD2-CG 3.95Å |
| 10 | F | 92.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -69.3 | -38.2 | -175.5 | -66.1 | -10.6 | 0 | 0 | 0 | 113 | S6 L7 G12 L13 L15 A20 T23 L33 | S6-F10 WeakPolarHBondContact O-CB 3.4Å; S6-F10 WeakPolarHBondContact O-CD1 3.41Å; S6-F10 WeakPolarHBondContact O-CD2 3.25Å; S6-F10 WeakPolarHBondContact O-CG 3.46Å; S6-F10 PolarHBondContact O-N 2.94Å; L7-F10 PolarHBondContact O-N 2.92Å; F10-G12 VanDerWaalsContact C-N 3.35Å; F10-L13 PolarHBondContact O-N 3.03Å; F10-L15 HydrophobicContact CB-CD1 4.15Å; F10-L15 WeakPolarHBondContact O-CB 3.48Å; F10-L15 PolarHBondContact O-N 2.86Å; F10-A20 HydrophobicContact CB-CB 3.74Å; F10-T23 HydrophobicContact CD2-CG2 4.14Å; F10-T23 HydrophobicContact CE2-CG2 3.93Å; F10-T23 HydrophobicContact CZ-CG2 4.47Å; F10-L33 HydrophobicContact CD1-CD2 3.57Å; F10-L33 HydrophobicContact CD1-CG 4.14Å; F10-L33 HydrophobicContact CE1-CB 4.21Å; F10-L33 HydrophobicContact CE1-CD2 3.59Å; F10-L33 HydrophobicContact CE1-CG 3.9Å; F10-L33 HydrophobicContact CG-CD2 4.19Å; F10-L33 HydrophobicContact CZ-CD2 4.21Å |
| 11 | T | 90.6 | Very high | 86 | Confident | 53 Ų | 53 | 56.9 Ų | 56.9 | 33% | 0.325 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -68.7 | -36 | 172 | 54.4 | 0 | 0 | 0 | 0 | 111.6 | L7 S8 L13 G14 A20 | L7-T11 PolarHBondContact O-N 3.32Å; L7-T11 VanDerWaalsContact O-N 3.09Å; L7-T11 PolarHBondContact O-OG1 3.27Å; L7-T11 VanDerWaalsContact O-OG1 3.12Å; S8-T11 PolarHBondContact O-OG1 2.89Å; T11-L13 VanDerWaalsContact C-N 3.26Å; T11-L13 PolarHBondContact O-N 2.6Å; T11-G14 PolarHBondContact O-N 3.48Å; T11-A20 HydrophobicContact CG2-CB 3.97Å |
| 12 | G | 87.8 | Confident | 87.4 | Confident | 31 Ų | 31 | 58.1 Ų | 58.1 | 32% | 0.32 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -59.9 | -33.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | S8 L9 F10 G14 | S8-G12 PolarHBondContact O-N 3.49Å; L9-G12 PolarHBondContact O-N 2.77Å; F10-G12 VanDerWaalsContact C-N 3.35Å; G12-G14 PolarHBondContact O-N 2.74Å |
| 13 | L | 89.8 | Confident | 88.7 | Confident | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -0.8 | 174 | -66.4 | 170.4 | 0 | 0 | 0 | 113.8 | M1 L9 F10 T11 L33 A37 I48 G53 T54 | M1-L13 HydrophobicContact CE-CD2 4.28Å; M1-L13 HydrophobicContact CE-CG 4.5Å; L9-L13 HydrophobicContact CG-CD1 4.41Å; L9-L13 WeakPolarHBondContact O-CG 3.31Å; L9-L13 PolarHBondContact O-N 3.47Å; F10-L13 PolarHBondContact O-N 3.03Å; T11-L13 VanDerWaalsContact C-N 3.26Å; T11-L13 PolarHBondContact O-N 2.6Å; L13-L33 HydrophobicContact CD1-CD1 4.02Å; L13-L33 HydrophobicContact CD1-CD2 4.47Å; L13-L33 HydrophobicContact CD1-CG 4.1Å; L13-A37 HydrophobicContact CD1-CB 3.99Å; L13-A37 HydrophobicContact CD2-CB 4.17Å; L13-I48 HydrophobicContact CD2-CB 4.22Å; L13-I48 HydrophobicContact CD2-CD1 4.03Å; L13-I48 HydrophobicContact CD2-CG2 3.83Å; L13-G53 CarbonylContact O-C 3.59Å; L13-G53 VanDerWaalsContact O-C 3.28Å; L13-G53 VanDerWaalsContact O-CA 3.28Å; L13-G53 WeakPolarHBondContact O-CA 3.45Å; L13-T54 PolarHBondContact O-N 2.88Å |
| 14 | G | 89.1 | Confident | 89.6 | Confident | 31 Ų | 31 | 54.4 Ų | 54.4 | 32% | 0.32 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 99.4 | 5.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | T11 G12 | T11-G14 PolarHBondContact O-N 3.48Å; G12-G14 PolarHBondContact O-N 2.74Å |
| 15 | L | 91.3 | Very high | 90.3 | Very high | 22 Ų | 22 | 59.2 Ų | 59.2 | 12% | 0.115 | 31% | 0.312 | C | S | . | . | trans | -75.4 | 145.4 | 173.7 | -59 | 178.2 | 0 | 0 | 0 | 111.2 | F10 K19 A20 L33 Y57 | F10-L15 HydrophobicContact CB-CD1 4.15Å; F10-L15 WeakPolarHBondContact O-CB 3.48Å; F10-L15 PolarHBondContact O-N 2.86Å; L15-K19 HydrophobicContact CB-CB 4.47Å; L15-K19 HydrophobicContact CD2-CG 4.39Å; L15-A20 HydrophobicContact CB-CB 4.47Å; L15-L33 HydrophobicContact CD1-CD2 4.41Å; L15-Y57 HydrophobicContact CD1-CD2 3.54Å; L15-Y57 HydrophobicContact CD1-CE2 3.79Å; L15-Y57 HydrophobicContact CD1-CG 4.13Å; L15-Y57 HydrophobicContact CD2-CD1 3.99Å; L15-Y57 HydrophobicContact CD2-CD2 4.04Å; L15-Y57 HydrophobicContact CD2-CE1 4.36Å; L15-Y57 HydrophobicContact CD2-CE2 4.41Å; L15-Y57 HydrophobicContact CD2-CG 3.8Å; L15-Y57 HydrophobicContact CG-CD2 4.37Å | ||
| 16 | S | 91.3 | Very high | 90.5 | Very high | 71 Ų | 71 | 58.7 Ų | 58.7 | 50% | 0.497 | 31% | 0.309 | S | S | . | . | trans | -63.6 | 152.9 | 168.7 | 70.5 | 0 | 0 | 0 | 0 | 110.1 | Q18 K19 A20 | S16-Q18 PolarHBondContact O-N 2.75Å; S16-K19 PolarHBondContact O-N 3.14Å; S16-K19 WeakPolarHBondContact OG-CB 3.31Å; S16-K19 PolarHBondContact OG-N 3.29Å; S16-A20 WeakPolarHBondContact O-CB 3.22Å; S16-A20 PolarHBondContact O-N 2.89Å | ||
| 17 | E | 90.6 | Very high | 90.8 | Very high | 110 Ų | 110 | 62.7 Ų | 62.7 | 51% | 0.514 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -57.2 | -39.5 | 179.9 | -166.8 | -171.5 | 156.8 | 0 | 0 | 111.9 | K19 A20 R21 | E17-K19 PolarHBondContact O-N 3.42Å; E17-A20 PolarHBondContact O-N 2.65Å; E17-R21 VanDerWaalsContact O-CG 3.31Å; E17-R21 WeakPolarHBondContact O-CG 3.19Å; E17-R21 PolarHBondContact O-N 3.29Å; E17-R21 IonicContact OE1-CZ 3.24Å; E17-R21 VanDerWaalsContact OE1-CZ 3.3Å; E17-R21 IonicContact OE1-NE 2.68Å; E17-R21 PolarHBondContact OE1-NE 3.31Å; E17-R21 IonicContact OE1-NH2 2.72Å; E17-R21 PolarHBondContact OE1-NH2 3.19Å |
| 18 | Q | 91.9 | Very high | 90.8 | Very high | 140 Ų | 140 | 63.7 Ų | 63.7 | 65% | 0.654 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -57.9 | -49.4 | 173.6 | -178.3 | -178.6 | -8 | 0 | 0 | 111.3 | S16 A20 R21 E22 | S16-Q18 PolarHBondContact O-N 2.75Å; Q18-A20 VanDerWaalsContact C-N 3.33Å; Q18-A20 PolarHBondContact O-N 2.63Å; Q18-R21 PolarHBondContact O-N 3.22Å; Q18-E22 PolarHBondContact O-N 3.11Å |
| 19 | K | 90.6 | Very high | 91 | Very high | 80 Ų | 80 | 62.2 Ų | 62.2 | 35% | 0.348 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -68.7 | -34.2 | -177.9 | -164.8 | 56.7 | 168.7 | -179.8 | 0 | 112.4 | L15 S16 E17 E22 T23 Y57 | L15-K19 HydrophobicContact CB-CB 4.47Å; L15-K19 HydrophobicContact CD2-CG 4.39Å; S16-K19 PolarHBondContact O-N 3.14Å; S16-K19 WeakPolarHBondContact OG-CB 3.31Å; S16-K19 PolarHBondContact OG-N 3.29Å; E17-K19 PolarHBondContact O-N 3.42Å; K19-E22 VanDerWaalsContact CD-OE2 3.29Å; K19-E22 WeakPolarHBondContact CD-OE2 3.36Å; K19-E22 IonicContact NZ-OE2 2.98Å; K19-E22 PolarHBondContact NZ-OE2 3.04Å; K19-E22 PolarHBondContact O-N 2.94Å; K19-T23 WeakPolarHBondContact O-CB 2.95Å; K19-T23 PolarHBondContact O-N 3.17Å; K19-T23 PolarHBondContact O-OG1 3.1Å; K19-Y57 VanDerWaalsContact CE-OH 3.31Å; K19-Y57 WeakPolarHBondContact CE-OH 3.25Å |
| 20 | A | 90.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.3 | -43.3 | 174 | 0 | 0 | 0 | 0 | 0 | 111.3 | L7 F10 T11 L15 S16 E17 Q18 T23 L24 | L7-A20 HydrophobicContact CD1-CB 3.82Å; F10-A20 HydrophobicContact CB-CB 3.74Å; T11-A20 HydrophobicContact CG2-CB 3.97Å; L15-A20 HydrophobicContact CB-CB 4.47Å; S16-A20 WeakPolarHBondContact O-CB 3.22Å; S16-A20 PolarHBondContact O-N 2.89Å; E17-A20 PolarHBondContact O-N 2.65Å; Q18-A20 VanDerWaalsContact C-N 3.33Å; Q18-A20 PolarHBondContact O-N 2.63Å; A20-T23 PolarHBondContact O-N 2.81Å; A20-L24 WeakPolarHBondContact O-CB 3.21Å; A20-L24 PolarHBondContact O-N 3.02Å |
| 21 | R | 90.6 | Very high | 91.1 | Very high | 133 Ų | 133 | 65.7 Ų | 65.7 | 50% | 0.502 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64.9 | -38.5 | 175.2 | -71.2 | 176 | -176.7 | -83.6 | 2 | 112.9 | L7 E17 Q18 | L7-R21 HydrophobicContact CD1-CG 3.81Å; E17-R21 VanDerWaalsContact O-CG 3.31Å; E17-R21 WeakPolarHBondContact O-CG 3.19Å; E17-R21 PolarHBondContact O-N 3.29Å; E17-R21 IonicContact OE1-CZ 3.24Å; E17-R21 VanDerWaalsContact OE1-CZ 3.3Å; E17-R21 IonicContact OE1-NE 2.68Å; E17-R21 PolarHBondContact OE1-NE 3.31Å; E17-R21 IonicContact OE1-NH2 2.72Å; E17-R21 PolarHBondContact OE1-NH2 3.19Å; Q18-R21 PolarHBondContact O-N 3.22Å |
| 22 | E | 91.7 | Very high | 91.3 | Very high | 84 Ų | 84 | 64.8 Ų | 64.8 | 39% | 0.393 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.7 | -46.1 | 172 | -74 | 172.8 | -166.4 | 0 | 0 | 111.6 | Q18 K19 L24 K25 | Q18-E22 PolarHBondContact O-N 3.11Å; K19-E22 VanDerWaalsContact CD-OE2 3.29Å; K19-E22 WeakPolarHBondContact CD-OE2 3.36Å; K19-E22 IonicContact NZ-OE2 2.98Å; K19-E22 PolarHBondContact NZ-OE2 3.04Å; K19-E22 PolarHBondContact O-N 2.94Å; E22-L24 VanDerWaalsContact C-N 3.31Å; E22-L24 PolarHBondContact O-N 3.48Å; E22-K25 WeakPolarHBondContact O-CB 3.36Å; E22-K25 PolarHBondContact O-N 3.48Å |
| 23 | T | 91.9 | Very high | 91.6 | Very high | 3 Ų | 3 | 63.3 Ų | 63.3 | 2% | 0.018 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.5 | -40.2 | -179.1 | -58.8 | 0 | 0 | 0 | 0 | 111.1 | F10 K19 A20 K25 N26 L29 S30 L33 Y57 | F10-T23 HydrophobicContact CD2-CG2 4.14Å; F10-T23 HydrophobicContact CE2-CG2 3.93Å; F10-T23 HydrophobicContact CZ-CG2 4.47Å; K19-T23 WeakPolarHBondContact O-CB 2.95Å; K19-T23 PolarHBondContact O-N 3.17Å; K19-T23 PolarHBondContact O-OG1 3.1Å; A20-T23 PolarHBondContact O-N 2.81Å; T23-K25 PolarHBondContact O-N 3.46Å; T23-N26 PolarHBondContact O-N 2.98Å; T23-N26 VanDerWaalsContact O-O 3.1Å; T23-L29 HydrophobicContact CG2-CD2 3.92Å; T23-L29 HydrophobicContact CG2-CG 3.96Å; T23-S30 PolarHBondContact O-OG 2.91Å; T23-L33 HydrophobicContact CG2-CD2 4.2Å; T23-Y57 HydrophobicContact CG2-CE2 3.88Å; T23-Y57 WeakPolarHBondContact OG1-CE2 3.42Å; T23-Y57 PolarHBondContact OG1-OH 2.74Å |
| 24 | L | 91.7 | Very high | 91.7 | Very high | 84 Ų | 84 | 66.2 Ų | 66.2 | 44% | 0.44 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -59.8 | -29.3 | 178.1 | -165.1 | 121.1 | 0 | 0 | 0 | 113.6 | A20 E22 N26 S30 | A20-L24 WeakPolarHBondContact O-CB 3.21Å; A20-L24 PolarHBondContact O-N 3.02Å; E22-L24 VanDerWaalsContact C-N 3.31Å; E22-L24 PolarHBondContact O-N 3.48Å; L24-N26 VanDerWaalsContact C-N 3.25Å; L24-N26 PolarHBondContact O-N 3.37Å; L24-S30 WeakPolarHBondContact CA-OG 3.2Å |
| 25 | K | 92.1 | Very high | 91.9 | Very high | 179 Ų | 179 | 69 Ų | 69 | 78% | 0.778 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -69.6 | -24.8 | 175.4 | -65.6 | 177.2 | 179.6 | -179.8 | 0 | 112.4 | E22 T23 T27 | E22-K25 WeakPolarHBondContact O-CB 3.36Å; E22-K25 PolarHBondContact O-N 3.48Å; T23-K25 PolarHBondContact O-N 3.46Å; K25-T27 PolarHBondContact O-N 2.96Å |
| 26 | N | 93.5 | Very high | 92.1 | Very high | 80 Ų | 80 | 68 Ų | 68 | 43% | 0.428 | 35% | 0.35 | S | S | . | . | trans | -92 | 98.8 | 174.6 | -174.3 | -24.7 | 0 | 0 | 0 | 109.3 | T23 L24 A28 L29 S30 | T23-N26 PolarHBondContact O-N 2.98Å; T23-N26 VanDerWaalsContact O-O 3.1Å; L24-N26 VanDerWaalsContact C-N 3.25Å; L24-N26 PolarHBondContact O-N 3.37Å; N26-A28 PolarHBondContact O-N 3.32Å; N26-A28 PolarHBondContact OD1-N 3.37Å; N26-L29 HydrophobicContact CB-CB 3.96Å; N26-L29 VanDerWaalsContact CG-CB 3.46Å; N26-L29 PolarHBondContact O-N 3.21Å; N26-L29 PolarHBondContact OD1-N 3.22Å; N26-S30 VanDerWaalsContact O-CB 3.23Å; N26-S30 WeakPolarHBondContact O-CB 3.49Å; N26-S30 PolarHBondContact O-N 3.48Å; N26-S30 PolarHBondContact O-OG 2.98Å | ||
| 27 | T | 91.4 | Very high | 92.1 | Very high | 117 Ų | 117 | 64.7 Ų | 64.7 | 72% | 0.718 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -62.3 | -40 | -175.8 | 50 | 0 | 0 | 0 | 0 | 112.7 | K25 S30 A31 | K25-T27 PolarHBondContact O-N 2.96Å; T27-S30 PolarHBondContact O-N 3.18Å; T27-A31 WeakPolarHBondContact O-CB 3.48Å; T27-A31 PolarHBondContact O-N 2.99Å |
| 28 | A | 89.8 | Confident | 92.2 | Very high | 67 Ų | 67 | 61 Ų | 61 | 55% | 0.554 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -66.6 | -49.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | N26 S30 A31 Q32 | N26-A28 PolarHBondContact O-N 3.32Å; N26-A28 PolarHBondContact OD1-N 3.37Å; A28-S30 VanDerWaalsContact C-N 3.31Å; A28-S30 PolarHBondContact O-N 3.32Å; A28-A31 PolarHBondContact O-N 3.07Å; A28-Q32 WeakPolarHBondContact O-CB 3.38Å; A28-Q32 PolarHBondContact O-N 2.73Å |
| 29 | L | 93 | Very high | 92.2 | Very high | 20 Ų | 20 | 56.1 Ų | 56.1 | 11% | 0.105 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.2 | -42.1 | 176.1 | 176.3 | 55 | 0 | 0 | 0 | 111.5 | T23 N26 A31 Q32 L33 Y57 A60 S61 | T23-L29 HydrophobicContact CG2-CD2 3.92Å; T23-L29 HydrophobicContact CG2-CG 3.96Å; N26-L29 HydrophobicContact CB-CB 3.96Å; N26-L29 VanDerWaalsContact CG-CB 3.46Å; N26-L29 PolarHBondContact O-N 3.21Å; N26-L29 PolarHBondContact OD1-N 3.22Å; L29-A31 PolarHBondContact O-N 3.18Å; L29-Q32 PolarHBondContact O-N 3.17Å; L29-L33 VanDerWaalsContact O-CB 3.26Å; L29-L33 WeakPolarHBondContact O-CB 3.38Å; L29-L33 PolarHBondContact O-N 3.15Å; L29-Y57 HydrophobicContact CD2-CE2 4.3Å; L29-A60 VanDerWaalsContact CD1-C 3.42Å; L29-A60 HydrophobicContact CD1-CB 3.91Å; L29-A60 WeakPolarHBondContact CD1-O 3.12Å; L29-S61 VanDerWaalsContact CD1-CA 3.5Å |
| 30 | S | 92.3 | Very high | 92.3 | Very high | 12 Ų | 12 | 52.3 Ų | 52.3 | 8% | 0.084 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.1 | -42.5 | 179 | -70.4 | 0 | 0 | 0 | 0 | 112.5 | T23 L24 N26 T27 A28 R34 | T23-S30 PolarHBondContact O-OG 2.91Å; L24-S30 WeakPolarHBondContact CA-OG 3.2Å; N26-S30 VanDerWaalsContact O-CB 3.23Å; N26-S30 WeakPolarHBondContact O-CB 3.49Å; N26-S30 PolarHBondContact O-N 3.48Å; N26-S30 PolarHBondContact O-OG 2.98Å; T27-S30 PolarHBondContact O-N 3.18Å; A28-S30 VanDerWaalsContact C-N 3.31Å; A28-S30 PolarHBondContact O-N 3.32Å; S30-R34 WeakPolarHBondContact O-CB 3.39Å; S30-R34 PolarHBondContact O-N 2.69Å; S30-R34 VanDerWaalsContact O-N 3.1Å |
| 31 | A | 92.3 | Very high | 92.3 | Very high | 62 Ų | 62 | 54.4 Ų | 54.4 | 51% | 0.512 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.3 | -46.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | T27 A28 L29 L33 R34 E35 | T27-A31 WeakPolarHBondContact O-CB 3.48Å; T27-A31 PolarHBondContact O-N 2.99Å; A28-A31 PolarHBondContact O-N 3.07Å; L29-A31 PolarHBondContact O-N 3.18Å; A31-L33 PolarHBondContact O-N 2.86Å; A31-R34 PolarHBondContact O-N 3.21Å; A31-E35 WeakPolarHBondContact O-CB 3.21Å; A31-E35 PolarHBondContact O-N 3.08Å |
| 32 | Q | 93.4 | Very high | 92.3 | Very high | 34 Ų | 34 | 55.2 Ų | 55.2 | 16% | 0.159 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.8 | -39.6 | -179.5 | -170.9 | 171.5 | -4.6 | 0 | 0 | 112.6 | A28 L29 E35 A36 A60 L63 L69 | A28-Q32 WeakPolarHBondContact O-CB 3.38Å; A28-Q32 PolarHBondContact O-N 2.73Å; L29-Q32 PolarHBondContact O-N 3.17Å; Q32-E35 PolarHBondContact O-N 2.67Å; Q32-A36 WeakPolarHBondContact O-CB 3.36Å; Q32-A36 PolarHBondContact O-N 2.88Å; Q32-A60 HydrophobicContact CB-CB 4.43Å; Q32-A60 HydrophobicContact CG-CB 4.13Å; Q32-A60 PolarHBondContact OE1-O 2.8Å; Q32-L63 PolarHBondContact NE2-O 2.87Å; Q32-L69 HydrophobicContact CG-CD1 4.19Å; Q32-L69 HydrophobicContact CG-CD2 4.14Å |
| 33 | L | 94.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -67.1 | -39.8 | 176.3 | -178.6 | 57 | 0 | 0 | 0 | 112.2 | F10 L13 L15 T23 L29 A31 E35 A36 A37 L56 Y57 A60 | F10-L33 HydrophobicContact CD1-CD2 3.57Å; F10-L33 HydrophobicContact CD1-CG 4.14Å; F10-L33 HydrophobicContact CE1-CB 4.21Å; F10-L33 HydrophobicContact CE1-CD2 3.59Å; F10-L33 HydrophobicContact CE1-CG 3.9Å; F10-L33 HydrophobicContact CG-CD2 4.19Å; F10-L33 HydrophobicContact CZ-CD2 4.21Å; L13-L33 HydrophobicContact CD1-CD1 4.02Å; L13-L33 HydrophobicContact CD1-CD2 4.47Å; L13-L33 HydrophobicContact CD1-CG 4.1Å; L15-L33 HydrophobicContact CD1-CD2 4.41Å; T23-L33 HydrophobicContact CG2-CD2 4.2Å; L29-L33 VanDerWaalsContact O-CB 3.26Å; L29-L33 WeakPolarHBondContact O-CB 3.38Å; L29-L33 PolarHBondContact O-N 3.15Å; A31-L33 PolarHBondContact O-N 2.86Å; L33-E35 VanDerWaalsContact C-N 3.35Å; L33-A36 PolarHBondContact O-N 2.84Å; L33-A37 WeakPolarHBondContact O-CB 3.42Å; L33-A37 PolarHBondContact O-N 2.92Å; L33-L56 HydrophobicContact CD1-CB 4.43Å; L33-Y57 HydrophobicContact CD2-CD2 3.74Å; L33-Y57 HydrophobicContact CD2-CE2 4.43Å; L33-A60 HydrophobicContact CB-CB 3.93Å; L33-A60 HydrophobicContact CD1-CB 4.08Å |
| 34 | R | 93.3 | Very high | 91.9 | Very high | 61 Ų | 61 | 57.6 Ų | 57.6 | 23% | 0.23 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64 | -42 | 175.1 | 177.8 | 177.4 | -72.6 | -87.9 | 0.9 | 111.3 | A2 L4 S6 L9 S30 A31 T38 | A2-R34 PolarHBondContact O-NH1 2.94Å; L4-R34 PolarHBondContact O-NH1 2.85Å; L4-R34 PolarHBondContact O-NH2 2.86Å; S6-R34 PolarHBondContact OG-NH2 3.02Å; L9-R34 HydrophobicContact CD2-CB 4.11Å; L9-R34 HydrophobicContact CD2-CG 3.95Å; S30-R34 WeakPolarHBondContact O-CB 3.39Å; S30-R34 PolarHBondContact O-N 2.69Å; S30-R34 VanDerWaalsContact O-N 3.1Å; A31-R34 PolarHBondContact O-N 3.21Å; R34-T38 WeakPolarHBondContact O-CB 3.32Å; R34-T38 PolarHBondContact O-N 3.24Å; R34-T38 PolarHBondContact O-OG1 2.91Å |
| 35 | E | 93.2 | Very high | 91.4 | Very high | 90 Ų | 90 | 57 Ų | 57 | 42% | 0.421 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.3 | -49.4 | 176.2 | -175 | 56.7 | -148 | 0 | 0 | 111.1 | A31 Q32 L33 A37 T38 Q39 L69 | A31-E35 WeakPolarHBondContact O-CB 3.21Å; A31-E35 PolarHBondContact O-N 3.08Å; Q32-E35 PolarHBondContact O-N 2.67Å; L33-E35 VanDerWaalsContact C-N 3.35Å; E35-A37 VanDerWaalsContact C-N 3.33Å; E35-A37 PolarHBondContact O-N 3.16Å; E35-T38 PolarHBondContact O-N 2.92Å; E35-T38 VanDerWaalsContact O-N 3.09Å; E35-Q39 WeakPolarHBondContact O-CG 3.43Å; E35-Q39 PolarHBondContact O-N 3.43Å; E35-Q39 PolarHBondContact OE1-NE2 3.46Å; E35-L69 HydrophobicContact CB-CD2 4.33Å; E35-L69 HydrophobicContact CG-CD2 4Å |
| 36 | A | 94.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -57.2 | -44.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q32 L33 A40 L56 L69 V73 | Q32-A36 WeakPolarHBondContact O-CB 3.36Å; Q32-A36 PolarHBondContact O-N 2.88Å; L33-A36 PolarHBondContact O-N 2.84Å; A36-A40 VanDerWaalsContact O-CB 3.31Å; A36-A40 WeakPolarHBondContact O-CB 3.28Å; A36-A40 PolarHBondContact O-N 3.21Å; A36-L56 HydrophobicContact CB-CD2 4.38Å; A36-L69 HydrophobicContact CB-CD1 4.2Å; A36-V73 HydrophobicContact CB-CG2 3.82Å; A36-V73 WeakPolarHBondContact O-CG1 3.47Å |
| 37 | A | 93 | Very high | 90.9 | Very high | 2 Ų | 2 | 53.3 Ų | 53.3 | 2% | 0.017 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -66.9 | -35.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L13 L33 E35 Q41 I48 | L13-A37 HydrophobicContact CD1-CB 3.99Å; L13-A37 HydrophobicContact CD2-CB 4.17Å; L33-A37 WeakPolarHBondContact O-CB 3.42Å; L33-A37 PolarHBondContact O-N 2.92Å; E35-A37 VanDerWaalsContact C-N 3.33Å; E35-A37 PolarHBondContact O-N 3.16Å; A37-Q41 WeakPolarHBondContact O-CB 3.25Å; A37-Q41 PolarHBondContact O-N 3.21Å; A37-I48 HydrophobicContact CB-CD1 4.13Å; A37-I48 VanDerWaalsContact O-CD1 3.32Å; A37-I48 WeakPolarHBondContact O-CD1 3.49Å |
| 38 | T | 92.1 | Very high | 90.9 | Very high | 32 Ų | 32 | 48.2 Ų | 48.2 | 20% | 0.196 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.2 | -46.6 | 177.6 | -59.3 | 0 | 0 | 0 | 0 | 110.8 | A2 R34 E35 Q41 Q42 | A2-T38 HydrophobicContact CB-CG2 4.21Å; R34-T38 WeakPolarHBondContact O-CB 3.32Å; R34-T38 PolarHBondContact O-N 3.24Å; R34-T38 PolarHBondContact O-OG1 2.91Å; E35-T38 PolarHBondContact O-N 2.92Å; E35-T38 VanDerWaalsContact O-N 3.09Å; T38-Q41 PolarHBondContact O-N 3.14Å; T38-Q42 WeakPolarHBondContact O-CG 3.47Å; T38-Q42 PolarHBondContact O-N 3.33Å |
| 39 | Q | 92.5 | Very high | 91 | Very high | 39 Ų | 39 | 47.9 Ų | 47.9 | 18% | 0.182 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.7 | -45.9 | 176.4 | -69 | 179 | 17 | 0 | 0 | 111.7 | E35 Q41 Q42 T43 V73 | E35-Q39 WeakPolarHBondContact O-CG 3.43Å; E35-Q39 PolarHBondContact O-N 3.43Å; E35-Q39 PolarHBondContact OE1-NE2 3.46Å; Q39-Q41 VanDerWaalsContact C-N 3.31Å; Q39-Q41 PolarHBondContact O-N 3.02Å; Q39-Q42 WeakPolarHBondContact O-CB 3.37Å; Q39-Q42 PolarHBondContact O-N 2.84Å; Q39-Q42 VanDerWaalsContact O-N 3.16Å; Q39-T43 PolarHBondContact O-N 2.83Å; Q39-T43 PolarHBondContact O-OG1 2.74Å; Q39-T43 VanDerWaalsContact O-OG1 3.14Å; Q39-V73 HydrophobicContact CB-CG1 3.79Å |
| 40 | A | 92.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -58.6 | -43.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A36 Q42 T43 L44 I48 L56 V73 A77 | A36-A40 VanDerWaalsContact O-CB 3.31Å; A36-A40 WeakPolarHBondContact O-CB 3.28Å; A36-A40 PolarHBondContact O-N 3.21Å; A40-Q42 VanDerWaalsContact C-N 3.34Å; A40-Q42 PolarHBondContact O-N 2.85Å; A40-T43 PolarHBondContact O-N 2.97Å; A40-L44 VanDerWaalsContact O-CB 3.26Å; A40-L44 WeakPolarHBondContact O-CB 3.29Å; A40-L44 WeakPolarHBondContact O-CG 3.25Å; A40-L44 PolarHBondContact O-N 2.94Å; A40-I48 HydrophobicContact CB-CD1 3.97Å; A40-L56 HydrophobicContact CB-CD1 3.69Å; A40-L56 HydrophobicContact CB-CD2 4.18Å; A40-V73 HydrophobicContact CB-CG1 3.83Å; A40-A77 HydrophobicContact CB-CB 4.33Å |
| 41 | Q | 91.1 | Very high | 90.8 | Very high | 43 Ų | 43 | 56.5 Ų | 56.5 | 20% | 0.201 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.6 | -38.3 | 178.1 | -176.6 | 67.4 | 51.6 | 0 | 0 | 112.3 | A37 T38 Q39 G45 S46 I48 | A37-Q41 WeakPolarHBondContact O-CB 3.25Å; A37-Q41 PolarHBondContact O-N 3.21Å; T38-Q41 PolarHBondContact O-N 3.14Å; Q39-Q41 VanDerWaalsContact C-N 3.31Å; Q39-Q41 PolarHBondContact O-N 3.02Å; Q41-G45 PolarHBondContact O-N 3.37Å; Q41-G45 VanDerWaalsContact O-N 3.11Å; Q41-S46 VanDerWaalsContact CD-O 3.26Å; Q41-S46 PolarHBondContact NE2-O 3.45Å; Q41-S46 PolarHBondContact OE1-O 3.31Å; Q41-I48 HydrophobicContact CB-CD1 4.17Å; Q41-I48 HydrophobicContact CB-CG1 4.49Å |
| 42 | Q | 89.4 | Confident | 90.8 | Very high | 151 Ų | 151 | 53.9 Ų | 53.9 | 71% | 0.706 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -65.1 | -40.9 | 175.8 | -75 | 175.1 | -7.1 | 0 | 0 | 111.5 | T38 Q39 A40 | T38-Q42 WeakPolarHBondContact O-CG 3.47Å; T38-Q42 PolarHBondContact O-N 3.33Å; Q39-Q42 WeakPolarHBondContact O-CB 3.37Å; Q39-Q42 PolarHBondContact O-N 2.84Å; Q39-Q42 VanDerWaalsContact O-N 3.16Å; A40-Q42 VanDerWaalsContact C-N 3.34Å; A40-Q42 PolarHBondContact O-N 2.85Å |
| 43 | T | 87.2 | Confident | 90.8 | Very high | 90 Ų | 90 | 52.2 Ų | 52.2 | 55% | 0.552 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -72.6 | -37.8 | 177.7 | -49.8 | 0 | 0 | 0 | 0 | 112.6 | Q39 A40 A77 | Q39-T43 PolarHBondContact O-N 2.83Å; Q39-T43 PolarHBondContact O-OG1 2.74Å; Q39-T43 VanDerWaalsContact O-OG1 3.14Å; A40-T43 PolarHBondContact O-N 2.97Å; T43-A77 HydrophobicContact CG2-CB 4.07Å |
| 44 | L | 87.7 | Confident | 90.8 | Very high | 47 Ų | 47 | 55.4 Ų | 55.4 | 25% | 0.246 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -77.1 | -27.6 | -176.7 | -82.2 | 165 | 0 | 0 | 0 | 114.4 | A40 S46 I48 A77 | A40-L44 VanDerWaalsContact O-CB 3.26Å; A40-L44 WeakPolarHBondContact O-CB 3.29Å; A40-L44 WeakPolarHBondContact O-CG 3.25Å; A40-L44 PolarHBondContact O-N 2.94Å; L44-S46 PolarHBondContact O-N 3.32Å; L44-S46 PolarHBondContact O-OG 2.87Å; L44-I48 HydrophobicContact CD1-CG1 3.96Å; L44-A77 HydrophobicContact CD1-CB 4.5Å; L44-A77 WeakPolarHBondContact CD2-O 3.43Å; L44-A77 HydrophobicContact CG-CB 4.14Å |
| 45 | G | 82.8 | Confident | 90.8 | Very high | 72 Ų | 72 | 53.2 Ų | 53.2 | 74% | 0.742 | 31% | 0.31 | S | S | * | . | S | Bend | trans | 63.3 | -2.5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q41 | Q41-G45 PolarHBondContact O-N 3.37Å; Q41-G45 VanDerWaalsContact O-N 3.11Å |
| 46 | S | 85.9 | Confident | 91 | Very high | 66 Ų | 66 | 49 Ų | 49 | 46% | 0.462 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -137.1 | 164.6 | -175 | 57.2 | 0 | 0 | 0 | 0 | 110.3 | Q41 L44 I48 | Q41-S46 VanDerWaalsContact CD-O 3.26Å; Q41-S46 PolarHBondContact NE2-O 3.45Å; Q41-S46 PolarHBondContact OE1-O 3.31Å; L44-S46 PolarHBondContact O-N 3.32Å; L44-S46 PolarHBondContact O-OG 2.87Å; S46-I48 PolarHBondContact O-N 2.87Å |
| 47 | T | 88.5 | Confident | 91 | Very high | 114 Ų | 114 | 50.8 Ų | 50.8 | 70% | 0.699 | 30% | 0.298 | S | S | * | . | P | Polyproline II helix | trans | -62.9 | 136.6 | -177.5 | 51 | 0 | 0 | 0 | 0 | 111.9 | D49 | T47-D49 PolarHBondContact O-N 3.43Š|
| 48 | I | 91.1 | Very high | 91.1 | Very high | 10 Ų | 10 | 51 Ų | 51 | 5% | 0.051 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 124.7 | 178.8 | -60.4 | 168.5 | 0 | 0 | 0 | 110.1 | M1 L13 A37 A40 Q41 L44 S46 T52 L56 | M1-I48 HydrophobicContact SD-CB 4.08Å; M1-I48 HydrophobicContact SD-CD1 4.33Å; M1-I48 HydrophobicContact SD-CG1 4.29Å; L13-I48 HydrophobicContact CD2-CB 4.22Å; L13-I48 HydrophobicContact CD2-CD1 4.03Å; L13-I48 HydrophobicContact CD2-CG2 3.83Å; A37-I48 HydrophobicContact CB-CD1 4.13Å; A37-I48 VanDerWaalsContact O-CD1 3.32Å; A37-I48 WeakPolarHBondContact O-CD1 3.49Å; A40-I48 HydrophobicContact CB-CD1 3.97Å; Q41-I48 HydrophobicContact CB-CD1 4.17Å; Q41-I48 HydrophobicContact CB-CG1 4.49Å; L44-I48 HydrophobicContact CD1-CG1 3.96Å; S46-I48 PolarHBondContact O-N 2.87Å; I48-T52 HydrophobicContact CG2-CG2 3.99Å; I48-L56 HydrophobicContact CD1-CD1 4.14Å; I48-L56 HydrophobicContact CG2-CD1 4.19Å |
| 49 | D | 91.6 | Very high | 91.2 | Very high | 60 Ų | 60 | 49.5 Ų | 49.5 | 32% | 0.321 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -73.8 | 157.1 | 173.3 | 75.1 | 77.9 | 0 | 0 | 0 | 111.9 | T47 A51 T52 G53 K79 | T47-D49 PolarHBondContact O-N 3.43Å; D49-A51 VanDerWaalsContact C-N 3.28Å; D49-A51 PolarHBondContact O-N 3.47Å; D49-A51 WeakPolarHBondContact OD1-CA 3.46Å; D49-A51 WeakPolarHBondContact OD1-CB 3.38Å; D49-A51 PolarHBondContact OD1-N 2.86Å; D49-T52 VanDerWaalsContact CG-OG1 3.29Å; D49-T52 PolarHBondContact O-N 2.73Å; D49-T52 PolarHBondContact OD1-N 3.25Å; D49-T52 PolarHBondContact OD1-OG1 2.88Å; D49-T52 PolarHBondContact OD2-OG1 2.89Å; D49-G53 PolarHBondContact O-N 3.43Å; D49-K79 IonicContact OD2-NZ 3.74Å; D49-K79 PolarHBondContact OD2-NZ 3.17Å |
| 50 | K | 91.6 | Very high | 91.3 | Very high | 146 Ų | 146 | 47.8 Ų | 47.8 | 64% | 0.635 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -63.7 | -29 | -174.2 | -65.8 | -176.8 | 179.3 | 178.9 | 0 | 114 | T54 | K50-T54 PolarHBondContact O-N 3.07Å; K50-T54 PolarHBondContact O-OG1 2.65Å |
| 51 | A | 89.2 | Confident | 91.4 | Very high | 67 Ų | 67 | 50.4 Ų | 50.4 | 55% | 0.554 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -71.7 | -47.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | D49 G53 T54 L55 | D49-A51 VanDerWaalsContact C-N 3.28Å; D49-A51 PolarHBondContact O-N 3.47Å; D49-A51 WeakPolarHBondContact OD1-CA 3.46Å; D49-A51 WeakPolarHBondContact OD1-CB 3.38Å; D49-A51 PolarHBondContact OD1-N 2.86Å; A51-G53 VanDerWaalsContact C-N 3.29Å; A51-G53 PolarHBondContact O-N 3.47Å; A51-T54 PolarHBondContact O-N 2.93Å; A51-L55 PolarHBondContact O-N 2.63Å |
| 52 | T | 93.1 | Very high | 91.6 | Very high | 7 Ų | 7 | 53.5 Ų | 53.5 | 4% | 0.043 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -57.6 | -43.5 | 171.8 | -56.8 | 0 | 0 | 0 | 0 | 111 | I48 D49 T54 L55 L56 I76 | I48-T52 HydrophobicContact CG2-CG2 3.99Å; D49-T52 VanDerWaalsContact CG-OG1 3.29Å; D49-T52 PolarHBondContact O-N 2.73Å; D49-T52 PolarHBondContact OD1-N 3.25Å; D49-T52 PolarHBondContact OD1-OG1 2.88Å; D49-T52 PolarHBondContact OD2-OG1 2.89Å; T52-T54 VanDerWaalsContact C-N 3.34Å; T52-T54 PolarHBondContact O-N 3.36Å; T52-L55 PolarHBondContact O-N 3.33Å; T52-L56 HydrophobicContact CG2-CD1 4.35Å; T52-L56 WeakPolarHBondContact O-CG 3.49Å; T52-L56 PolarHBondContact O-N 3.46Å; T52-I76 HydrophobicContact CG2-CG2 3.8Å |
| 53 | G | 93.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.1 | -36.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | L13 D49 A51 L56 Y57 | L13-G53 CarbonylContact O-C 3.59Å; L13-G53 VanDerWaalsContact O-C 3.28Å; L13-G53 VanDerWaalsContact O-CA 3.28Å; L13-G53 WeakPolarHBondContact O-CA 3.45Å; D49-G53 PolarHBondContact O-N 3.43Å; A51-G53 VanDerWaalsContact C-N 3.29Å; A51-G53 PolarHBondContact O-N 3.47Å; G53-L56 PolarHBondContact O-N 3.38Å; G53-Y57 PolarHBondContact O-N 3.2Å |
| 54 | T | 92.9 | Very high | 91.8 | Very high | 67 Ų | 67 | 53.9 Ų | 53.9 | 41% | 0.411 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.8 | -38.8 | 175.2 | -56 | 0 | 0 | 0 | 0 | 111.5 | L13 K50 A51 T52 Y57 G58 | L13-T54 PolarHBondContact O-N 2.88Å; K50-T54 PolarHBondContact O-N 3.07Å; K50-T54 PolarHBondContact O-OG1 2.65Å; A51-T54 PolarHBondContact O-N 2.93Å; T52-T54 VanDerWaalsContact C-N 3.34Å; T52-T54 PolarHBondContact O-N 3.36Å; T54-Y57 WeakPolarHBondContact O-CB 3.26Å; T54-Y57 PolarHBondContact O-N 3.38Å; T54-G58 PolarHBondContact O-N 2.82Å |
| 55 | L | 94.6 | Very high | 91.8 | Very high | 15 Ų | 15 | 53.3 Ų | 53.3 | 8% | 0.079 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -69.3 | -39.2 | 175.2 | -66.6 | 171.8 | 0 | 0 | 0 | 112.2 | A51 T52 Y57 G58 L59 I76 E84 L87 | A51-L55 PolarHBondContact O-N 2.63Å; T52-L55 PolarHBondContact O-N 3.33Å; L55-Y57 VanDerWaalsContact C-N 3.27Å; L55-Y57 PolarHBondContact O-N 3.07Å; L55-G58 PolarHBondContact O-N 3.18Å; L55-L59 WeakPolarHBondContact O-CB 3.26Å; L55-L59 PolarHBondContact O-N 3.41Å; L55-I76 HydrophobicContact CB-CD1 4.34Å; L55-I76 HydrophobicContact CB-CG2 4.07Å; L55-E84 HydrophobicContact CD2-CG 4.48Å; L55-L87 HydrophobicContact CB-CD2 4.45Å; L55-L87 HydrophobicContact CD2-CB 4.38Å; L55-L87 HydrophobicContact CD2-CD2 4.04Å; L55-L87 WeakPolarHBondContact O-CD2 3.16Å |
| 56 | L | 95.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.9 | -36.9 | 173.6 | -67.6 | 172.3 | 0 | 0 | 0 | 111.5 | L33 A36 A40 I48 T52 G53 L59 A60 V73 I76 | L33-L56 HydrophobicContact CD1-CB 4.43Å; A36-L56 HydrophobicContact CB-CD2 4.38Å; A40-L56 HydrophobicContact CB-CD1 3.69Å; A40-L56 HydrophobicContact CB-CD2 4.18Å; I48-L56 HydrophobicContact CD1-CD1 4.14Å; I48-L56 HydrophobicContact CG2-CD1 4.19Å; T52-L56 HydrophobicContact CG2-CD1 4.35Å; T52-L56 WeakPolarHBondContact O-CG 3.49Å; T52-L56 PolarHBondContact O-N 3.46Å; G53-L56 PolarHBondContact O-N 3.38Å; L56-L59 PolarHBondContact O-N 3.21Å; L56-A60 WeakPolarHBondContact O-CB 3.42Å; L56-A60 PolarHBondContact O-N 3.32Å; L56-V73 HydrophobicContact CD2-CG1 4.35Å; L56-V73 HydrophobicContact CD2-CG2 4.19Å; L56-I76 HydrophobicContact CD2-CB 4.27Å; L56-I76 HydrophobicContact CD2-CD1 4.22Å; L56-I76 HydrophobicContact CD2-CG2 3.85Å; L56-I76 HydrophobicContact CG-CG2 4.03Å |
| 57 | Y | 95.4 | Very high | 92 | Very high | 39 Ų | 39 | 58.2 Ų | 58.2 | 15% | 0.153 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.7 | -46.7 | 171 | 179 | -100 | 0 | 0 | 0 | 112.5 | L15 K19 T23 L29 L33 G53 T54 L55 L59 A60 S61 | L15-Y57 HydrophobicContact CD1-CD2 3.54Å; L15-Y57 HydrophobicContact CD1-CE2 3.79Å; L15-Y57 HydrophobicContact CD1-CG 4.13Å; L15-Y57 HydrophobicContact CD2-CD1 3.99Å; L15-Y57 HydrophobicContact CD2-CD2 4.04Å; L15-Y57 HydrophobicContact CD2-CE1 4.36Å; L15-Y57 HydrophobicContact CD2-CE2 4.41Å; L15-Y57 HydrophobicContact CD2-CG 3.8Å; L15-Y57 HydrophobicContact CG-CD2 4.37Å; K19-Y57 VanDerWaalsContact CE-OH 3.31Å; K19-Y57 WeakPolarHBondContact CE-OH 3.25Å; T23-Y57 HydrophobicContact CG2-CE2 3.88Å; T23-Y57 WeakPolarHBondContact OG1-CE2 3.42Å; T23-Y57 PolarHBondContact OG1-OH 2.74Å; L29-Y57 HydrophobicContact CD2-CE2 4.3Å; L33-Y57 HydrophobicContact CD2-CD2 3.74Å; L33-Y57 HydrophobicContact CD2-CE2 4.43Å; G53-Y57 PolarHBondContact O-N 3.2Å; T54-Y57 WeakPolarHBondContact O-CB 3.26Å; T54-Y57 PolarHBondContact O-N 3.38Å; L55-Y57 VanDerWaalsContact C-N 3.27Å; L55-Y57 PolarHBondContact O-N 3.07Å; Y57-L59 VanDerWaalsContact C-N 3.29Å; Y57-L59 PolarHBondContact O-N 3.27Å; Y57-A60 PolarHBondContact O-N 2.84Å; Y57-S61 WeakPolarHBondContact O-CB 3.29Å; Y57-S61 PolarHBondContact O-N 2.97Å; Y57-S61 PolarHBondContact O-OG 2.54Å |
| 58 | G | 94 | Very high | 92.1 | Very high | 6 Ų | 6 | 53.5 Ų | 53.5 | 6% | 0.062 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57.6 | -42.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | T54 L55 S61 R62 | T54-G58 PolarHBondContact O-N 2.82Å; L55-G58 PolarHBondContact O-N 3.18Å; G58-S61 PolarHBondContact O-OG 2.75Å; G58-S61 VanDerWaalsContact O-OG 3.11Å; G58-R62 WeakPolarHBondContact O-CB 3.37Å; G58-R62 WeakPolarHBondContact O-CD 3.48Å; G58-R62 WeakPolarHBondContact O-CG 3.47Å; G58-R62 PolarHBondContact O-N 2.78Å |
| 59 | L | 95.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.6 | -55.2 | 176.1 | 176.8 | 63.1 | 0 | 0 | 0 | 111.1 | L55 L56 Y57 S61 R62 L63 L69 L72 V73 I76 L87 L91 | L55-L59 WeakPolarHBondContact O-CB 3.26Å; L55-L59 PolarHBondContact O-N 3.41Å; L56-L59 PolarHBondContact O-N 3.21Å; Y57-L59 VanDerWaalsContact C-N 3.29Å; Y57-L59 PolarHBondContact O-N 3.27Å; L59-S61 PolarHBondContact O-N 2.72Å; L59-R62 PolarHBondContact O-N 2.95Å; L59-L63 HydrophobicContact CD1-CB 4.03Å; L59-L63 HydrophobicContact CD1-CD2 4.12Å; L59-L63 HydrophobicContact CD1-CG 4.46Å; L59-L63 WeakPolarHBondContact O-CB 3.43Å; L59-L63 PolarHBondContact O-N 2.81Å; L59-L69 HydrophobicContact CD2-CD1 4.14Å; L59-L69 HydrophobicContact CG-CD1 4.32Å; L59-L72 HydrophobicContact CD1-CB 3.83Å; L59-L72 HydrophobicContact CD1-CD1 3.49Å; L59-L72 VanDerWaalsContact CD1-CD1 3.49Å; L59-L72 HydrophobicContact CD1-CG 4.31Å; L59-L72 HydrophobicContact CD2-CB 3.87Å; L59-V73 HydrophobicContact CD2-CG2 3.72Å; L59-I76 HydrophobicContact CB-CD1 4.06Å; L59-I76 HydrophobicContact CD2-CD1 3.75Å; L59-I76 HydrophobicContact CG-CD1 4.44Å; L59-L87 HydrophobicContact CB-CD1 4.08Å; L59-L87 HydrophobicContact CD1-CD1 4.14Å; L59-L91 HydrophobicContact CD1-CD2 4Å |
| 60 | A | 94.5 | Very high | 92.2 | Very high | 3 Ų | 3 | 54 Ų | 54 | 3% | 0.025 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.6 | -31.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L29 Q32 L33 L56 Y57 | L29-A60 VanDerWaalsContact CD1-C 3.42Å; L29-A60 HydrophobicContact CD1-CB 3.91Å; L29-A60 WeakPolarHBondContact CD1-O 3.12Å; Q32-A60 HydrophobicContact CB-CB 4.43Å; Q32-A60 HydrophobicContact CG-CB 4.13Å; Q32-A60 PolarHBondContact OE1-O 2.8Å; L33-A60 HydrophobicContact CB-CB 3.93Å; L33-A60 HydrophobicContact CD1-CB 4.08Å; L56-A60 WeakPolarHBondContact O-CB 3.42Å; L56-A60 PolarHBondContact O-N 3.32Å; Y57-A60 PolarHBondContact O-N 2.84Å |
| 61 | S | 93.8 | Very high | 92.3 | Very high | 56 Ų | 56 | 49.2 Ų | 49.2 | 39% | 0.392 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -80.6 | -19.5 | -179.9 | 58.4 | 0 | 0 | 0 | 0 | 114.7 | L29 Y57 G58 L59 | L29-S61 VanDerWaalsContact CD1-CA 3.5Å; Y57-S61 WeakPolarHBondContact O-CB 3.29Å; Y57-S61 PolarHBondContact O-N 2.97Å; Y57-S61 PolarHBondContact O-OG 2.54Å; G58-S61 PolarHBondContact O-OG 2.75Å; G58-S61 VanDerWaalsContact O-OG 3.11Å; L59-S61 PolarHBondContact O-N 2.72Å |
| 62 | R | 95.3 | Very high | 92.6 | Very high | 108 Ų | 108 | 46 Ų | 46 | 41% | 0.408 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -117.1 | -23.1 | -172.9 | -64.7 | 166.5 | 63 | -174.3 | -1.7 | 113.8 | G58 L59 R64 E84 S88 L91 | G58-R62 WeakPolarHBondContact O-CB 3.37Å; G58-R62 WeakPolarHBondContact O-CD 3.48Å; G58-R62 WeakPolarHBondContact O-CG 3.47Å; G58-R62 PolarHBondContact O-N 2.78Å; L59-R62 PolarHBondContact O-N 2.95Å; R62-R64 PolarHBondContact O-N 3.1Å; R62-E84 IonicContact NH1-OE2 3.03Å; R62-E84 PolarHBondContact NH1-OE2 3.03Å; R62-E84 VanDerWaalsContact NH1-OE2 3.13Å; R62-S88 PolarHBondContact NH1-OG 2.82Å; R62-S88 PolarHBondContact NH2-OG 3.11Å; R62-L91 HydrophobicContact CB-CD1 3.65Å; R62-L91 HydrophobicContact CB-CD2 4.39Å; R62-L91 HydrophobicContact CG-CD1 4.43Å |
| 63 | L | 93.4 | Very high | 92.7 | Very high | 12 Ų | 12 | 45.8 Ų | 45.8 | 6% | 0.063 | 22% | 0.219 | C | C | . | . | trans | -71.8 | 114.1 | -177.5 | -177.5 | 67.8 | 0 | 0 | 0 | 111.2 | Q32 L59 D65 R68 L69 L72 L91 V94 | Q32-L63 PolarHBondContact NE2-O 2.87Å; L59-L63 HydrophobicContact CD1-CB 4.03Å; L59-L63 HydrophobicContact CD1-CD2 4.12Å; L59-L63 HydrophobicContact CD1-CG 4.46Å; L59-L63 WeakPolarHBondContact O-CB 3.43Å; L59-L63 PolarHBondContact O-N 2.81Å; L63-D65 WeakPolarHBondContact CD1-O 3.4Å; L63-D65 WeakPolarHBondContact CD2-O 3.31Å; L63-D65 WeakPolarHBondContact CG-O 3.14Å; L63-R68 HydrophobicContact CD1-CB 4.48Å; L63-L69 HydrophobicContact CD2-CB 3.84Å; L63-L69 HydrophobicContact CD2-CD1 3.72Å; L63-L69 HydrophobicContact CD2-CG 4.42Å; L63-L72 HydrophobicContact CD1-CD1 3.95Å; L63-L91 HydrophobicContact CB-CD2 3.99Å; L63-L91 HydrophobicContact CD1-CD2 3.95Å; L63-V94 HydrophobicContact CD1-CG1 4.36Å | ||
| 64 | R | 88.2 | Confident | 92.8 | Very high | 237 Ų | 237 | 47.9 Ų | 47.9 | 89% | 0.894 | 23% | 0.233 | S | C | * | . | trans | -87.5 | -36.4 | 175.2 | -61.5 | -172.1 | -179.1 | -156.3 | 0.2 | 113 | R62 T66 | R62-R64 PolarHBondContact O-N 3.1Å; R64-T66 PolarHBondContact O-N 2.88Å | ||
| 65 | D | 86.9 | Confident | 92.9 | Very high | 35 Ų | 35 | 45.4 Ų | 45.4 | 19% | 0.187 | 22% | 0.217 | C | C | . | . | trans | -87.7 | 93 | 177.4 | -170.3 | -4.5 | 0 | 0 | 0 | 110.4 | L63 R67 R68 V94 | L63-D65 WeakPolarHBondContact CD1-O 3.4Å; L63-D65 WeakPolarHBondContact CD2-O 3.31Å; L63-D65 WeakPolarHBondContact CG-O 3.14Å; D65-R67 PolarHBondContact O-N 2.99Å; D65-R67 VanDerWaalsContact OD1-CB 3.31Å; D65-R67 WeakPolarHBondContact OD1-CB 3.38Å; D65-R67 WeakPolarHBondContact OD1-CG 3.46Å; D65-R67 IonicContact OD1-CZ 3.03Å; D65-R67 PolarHBondContact OD1-N 3.13Å; D65-R67 IonicContact OD1-NE 2.6Å; D65-R67 PolarHBondContact OD1-NE 2.8Å; D65-R67 IonicContact OD1-NH2 3.63Å; D65-R67 IonicContact OD2-CZ 3.95Å; D65-R67 IonicContact OD2-NE 3.54Å; D65-R67 PolarHBondContact OD2-NE 3.18Å; D65-R67 IonicContact OD2-NH2 2.77Å; D65-R67 PolarHBondContact OD2-NH2 3.41Å; D65-R68 HydrophobicContact CB-CG 4.15Å; D65-R68 WeakPolarHBondContact O-CB 3.39Å; D65-R68 PolarHBondContact O-N 3.32Å; D65-R68 VanDerWaalsContact O-N 3.15Å; D65-V94 HydrophobicContact CB-CG1 4.37Å | ||
| 66 | T | 85.7 | Confident | 93 | Very high | 89 Ų | 89 | 44.7 Ų | 44.7 | 55% | 0.546 | 21% | 0.213 | S | C | . | . | G | 310 helix | trans | -66 | -18.7 | -177.2 | 51.6 | 0 | 0 | 0 | 0 | 113.4 | R64 R68 L69 | R64-T66 PolarHBondContact O-N 2.88Å; T66-R68 PolarHBondContact O-N 3.48Å; T66-L69 VanDerWaalsContact O-CB 3.25Å; T66-L69 WeakPolarHBondContact O-CB 3.44Å; T66-L69 PolarHBondContact O-N 3.08Å |
| 67 | R | 88.2 | Confident | 92.9 | Very high | 151 Ų | 151 | 44.9 Ų | 44.9 | 57% | 0.57 | 22% | 0.215 | S | C | * | . | G | 310 helix | trans | -62 | -23.8 | 174.7 | -58.1 | 174.4 | -64.8 | 163.8 | 7.8 | 112 | D65 P98 | D65-R67 PolarHBondContact O-N 2.99Å; D65-R67 VanDerWaalsContact OD1-CB 3.31Å; D65-R67 WeakPolarHBondContact OD1-CB 3.38Å; D65-R67 WeakPolarHBondContact OD1-CG 3.46Å; D65-R67 IonicContact OD1-CZ 3.03Å; D65-R67 PolarHBondContact OD1-N 3.13Å; D65-R67 IonicContact OD1-NE 2.6Å; D65-R67 PolarHBondContact OD1-NE 2.8Å; D65-R67 IonicContact OD1-NH2 3.63Å; D65-R67 IonicContact OD2-CZ 3.95Å; D65-R67 IonicContact OD2-NE 3.54Å; D65-R67 PolarHBondContact OD2-NE 3.18Å; D65-R67 IonicContact OD2-NH2 2.77Å; D65-R67 PolarHBondContact OD2-NH2 3.41Å; R67-P98 PolarHBondContact NH2-O 2.92Å |
| 68 | R | 90.2 | Very high | 92.7 | Very high | 15 Ų | 15 | 46.1 Ų | 46.1 | 6% | 0.057 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -96 | 0.4 | -175.6 | -56.6 | -73.1 | -167.7 | -165.1 | 1.4 | 112.9 | L63 D65 T66 F71 L72 V94 L99 D100 I102 | L63-R68 HydrophobicContact CD1-CB 4.48Å; D65-R68 HydrophobicContact CB-CG 4.15Å; D65-R68 WeakPolarHBondContact O-CB 3.39Å; D65-R68 PolarHBondContact O-N 3.32Å; D65-R68 VanDerWaalsContact O-N 3.15Å; T66-R68 PolarHBondContact O-N 3.48Å; R68-F71 PolarHBondContact O-N 3.46Å; R68-L72 PolarHBondContact O-N 2.94Å; R68-V94 HydrophobicContact CB-CG1 3.75Å; R68-V94 HydrophobicContact CB-CG2 4.46Å; R68-V94 HydrophobicContact CG-CG1 3.53Å; R68-L99 PolarHBondContact NH2-O 3.14Å; R68-D100 IonicContact CZ-OD1 3.53Å; R68-D100 IonicContact NH1-OD1 3.12Å; R68-D100 PolarHBondContact NH1-OD1 3.07Å; R68-D100 IonicContact NH2-OD1 3.47Å; R68-D100 PolarHBondContact NH2-OD1 2.81Å; R68-I102 VanDerWaalsContact NH1-CD1 3.3Å |
| 69 | L | 92.7 | Very high | 92.6 | Very high | 13 Ų | 13 | 51.1 Ų | 51.1 | 7% | 0.068 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60 | -51.6 | -177 | -176.2 | 68.4 | 0 | 0 | 0 | 111.2 | Q32 E35 A36 L59 L63 T66 F71 L72 V73 | Q32-L69 HydrophobicContact CG-CD1 4.19Å; Q32-L69 HydrophobicContact CG-CD2 4.14Å; E35-L69 HydrophobicContact CB-CD2 4.33Å; E35-L69 HydrophobicContact CG-CD2 4Å; A36-L69 HydrophobicContact CB-CD1 4.2Å; L59-L69 HydrophobicContact CD2-CD1 4.14Å; L59-L69 HydrophobicContact CG-CD1 4.32Å; L63-L69 HydrophobicContact CD2-CB 3.84Å; L63-L69 HydrophobicContact CD2-CD1 3.72Å; L63-L69 HydrophobicContact CD2-CG 4.42Å; T66-L69 VanDerWaalsContact O-CB 3.25Å; T66-L69 WeakPolarHBondContact O-CB 3.44Å; T66-L69 PolarHBondContact O-N 3.08Å; L69-F71 VanDerWaalsContact C-N 3.31Å; L69-F71 PolarHBondContact O-N 2.83Å; L69-L72 PolarHBondContact O-N 3.17Å; L69-V73 HydrophobicContact CD1-CG2 4.2Å; L69-V73 HydrophobicContact CG-CG2 4.26Å; L69-V73 WeakPolarHBondContact O-CB 3.32Å; L69-V73 WeakPolarHBondContact O-CG2 3.43Å; L69-V73 PolarHBondContact O-N 3.02Å |
| 70 | S | 92.2 | Very high | 92.5 | Very high | 67 Ų | 67 | 55.2 Ų | 55.2 | 47% | 0.469 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.4 | -39.8 | -179.7 | 52.6 | 0 | 0 | 0 | 0 | 112.9 | S74 | S70-S74 PolarHBondContact O-N 3.5Å; S70-S74 VanDerWaalsContact O-N 3.07Å |
| 71 | F | 93.2 | Very high | 92.5 | Very high | 47 Ų | 47 | 55.1 Ų | 55.1 | 21% | 0.206 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59 | -55.6 | 175.4 | 178.4 | -107.8 | 0 | 0 | 0 | 111.4 | R68 L69 V73 S74 Y75 I102 F107 | R68-F71 PolarHBondContact O-N 3.46Å; L69-F71 VanDerWaalsContact C-N 3.31Å; L69-F71 PolarHBondContact O-N 2.83Å; F71-V73 PolarHBondContact O-N 3.41Å; F71-S74 PolarHBondContact O-N 3.47Å; F71-S74 PolarHBondContact O-OG 2.87Å; F71-Y75 HydrophobicContact CD2-CE2 4.28Å; F71-Y75 HydrophobicContact CE1-CE2 4.38Å; F71-Y75 HydrophobicContact CE2-CD2 4.26Å; F71-Y75 AromaticContact CE2-CE2 3.59Å; F71-Y75 HydrophobicContact CE2-CE2 3.59Å; F71-Y75 HydrophobicContact CZ-CD2 4.23Å; F71-Y75 AromaticContact CZ-CE2 3.65Å; F71-Y75 HydrophobicContact CZ-CE2 3.65Å; F71-Y75 PolarHBondContact O-N 3.3Å; F71-I102 HydrophobicContact CD1-CD1 4.35Å; F71-I102 HydrophobicContact CE1-CD1 4.18Å; F71-I102 HydrophobicContact CE1-CG2 4.44Å; F71-I102 HydrophobicContact CZ-CG2 4.19Å; F71-F107 AromaticContact CE1-CD1 3.82Å; F71-F107 HydrophobicContact CE1-CD1 3.82Å; F71-F107 HydrophobicContact CE1-CD2 4.12Å; F71-F107 AromaticContact CE1-CE1 3.62Å; F71-F107 HydrophobicContact CE1-CE1 3.62Å; F71-F107 AromaticContact CE1-CE2 3.92Å; F71-F107 HydrophobicContact CE1-CE2 3.92Å; F71-F107 HydrophobicContact CE1-CG 4.06Å; F71-F107 AromaticContact CE1-CZ 3.67Å; F71-F107 HydrophobicContact CE1-CZ 3.67Å; F71-F107 AromaticContact CZ-CD1 3.65Å; F71-F107 HydrophobicContact CZ-CD1 3.65Å; F71-F107 AromaticContact CZ-CE1 3.79Å; F71-F107 HydrophobicContact CZ-CE1 3.79Å; F71-F107 HydrophobicContact CZ-CG 4.08Å; F71-F107 HydrophobicContact CZ-CZ 4.32Å |
| 72 | L | 95.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -68.6 | -33.9 | -177.8 | -66.5 | 179.5 | 0 | 0 | 0 | 113 | L59 L63 R68 L69 S74 Y75 I76 A90 L91 V94 F107 | L59-L72 HydrophobicContact CD1-CB 3.83Å; L59-L72 HydrophobicContact CD1-CD1 3.49Å; L59-L72 VanDerWaalsContact CD1-CD1 3.49Å; L59-L72 HydrophobicContact CD1-CG 4.31Å; L59-L72 HydrophobicContact CD2-CB 3.87Å; L63-L72 HydrophobicContact CD1-CD1 3.95Å; R68-L72 PolarHBondContact O-N 2.94Å; L69-L72 PolarHBondContact O-N 3.17Å; L72-S74 VanDerWaalsContact C-N 3.3Å; L72-S74 PolarHBondContact O-N 3.16Å; L72-Y75 PolarHBondContact O-N 2.93Å; L72-I76 WeakPolarHBondContact O-CG1 3.26Å; L72-I76 PolarHBondContact O-N 3.25Å; L72-I76 VanDerWaalsContact O-N 3.09Å; L72-A90 HydrophobicContact CD2-CB 3.9Å; L72-L91 HydrophobicContact CD1-CD2 4.42Å; L72-V94 HydrophobicContact CD1-CG2 4.15Å; L72-V94 HydrophobicContact CD2-CG2 4.23Å; L72-V94 HydrophobicContact CG-CG2 4.41Å; L72-F107 HydrophobicContact CD2-CE2 3.95Å; L72-F107 HydrophobicContact CD2-CZ 3.53Å |
| 73 | V | 96 | Very high | 92.3 | Very high | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.006 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.4 | -39.6 | 174 | 170.5 | 0 | 0 | 0 | 0 | 111 | A36 Q39 A40 L56 L59 L69 F71 Y75 I76 A77 | A36-V73 HydrophobicContact CB-CG2 3.82Å; A36-V73 WeakPolarHBondContact O-CG1 3.47Å; Q39-V73 HydrophobicContact CB-CG1 3.79Å; A40-V73 HydrophobicContact CB-CG1 3.83Å; L56-V73 HydrophobicContact CD2-CG1 4.35Å; L56-V73 HydrophobicContact CD2-CG2 4.19Å; L59-V73 HydrophobicContact CD2-CG2 3.72Å; L69-V73 HydrophobicContact CD1-CG2 4.2Å; L69-V73 HydrophobicContact CG-CG2 4.26Å; L69-V73 WeakPolarHBondContact O-CB 3.32Å; L69-V73 WeakPolarHBondContact O-CG2 3.43Å; L69-V73 PolarHBondContact O-N 3.02Å; F71-V73 PolarHBondContact O-N 3.41Å; V73-Y75 VanDerWaalsContact C-N 3.29Å; V73-Y75 PolarHBondContact O-N 2.86Å; V73-I76 PolarHBondContact O-N 3.39Å; V73-A77 VanDerWaalsContact O-CB 3.23Å; V73-A77 WeakPolarHBondContact O-CB 3.33Å; V73-A77 PolarHBondContact O-N 2.58Å |
| 74 | S | 94.6 | Very high | 92.2 | Very high | 44 Ų | 44 | 56.2 Ų | 56.2 | 31% | 0.308 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.5 | -35.7 | 178.2 | 77.3 | 0 | 0 | 0 | 0 | 112.7 | S70 F71 L72 S78 | S70-S74 PolarHBondContact O-N 3.5Å; S70-S74 VanDerWaalsContact O-N 3.07Å; F71-S74 PolarHBondContact O-N 3.47Å; F71-S74 PolarHBondContact O-OG 2.87Å; L72-S74 VanDerWaalsContact C-N 3.3Å; L72-S74 PolarHBondContact O-N 3.16Å; S74-S78 WeakPolarHBondContact O-CB 3.21Å; S74-S78 PolarHBondContact O-N 3.12Å; S74-S78 PolarHBondContact O-OG 2.93Å |
| 75 | Y | 95.8 | Very high | 92.4 | Very high | 15 Ų | 15 | 47 Ų | 47 | 6% | 0.059 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -71.9 | -36.4 | 176 | -87.5 | -96.2 | 0 | 0 | 0 | 113.3 | F71 L72 V73 S78 K79 K80 I81 T104 F107 E108 V113 | F71-Y75 HydrophobicContact CD2-CE2 4.28Å; F71-Y75 HydrophobicContact CE1-CE2 4.38Å; F71-Y75 HydrophobicContact CE2-CD2 4.26Å; F71-Y75 AromaticContact CE2-CE2 3.59Å; F71-Y75 HydrophobicContact CE2-CE2 3.59Å; F71-Y75 HydrophobicContact CZ-CD2 4.23Å; F71-Y75 AromaticContact CZ-CE2 3.65Å; F71-Y75 HydrophobicContact CZ-CE2 3.65Å; F71-Y75 PolarHBondContact O-N 3.3Å; L72-Y75 PolarHBondContact O-N 2.93Å; V73-Y75 VanDerWaalsContact C-N 3.29Å; V73-Y75 PolarHBondContact O-N 2.86Å; Y75-S78 PolarHBondContact O-OG 3Å; Y75-K79 PolarHBondContact O-N 3.43Å; Y75-K80 HydrophobicContact CD1-CB 3.56Å; Y75-K80 HydrophobicContact CD1-CD 3.66Å; Y75-K80 HydrophobicContact CD1-CG 4.27Å; Y75-K80 HydrophobicContact CE1-CB 4.18Å; Y75-K80 HydrophobicContact CE1-CD 3.49Å; Y75-K80 VanDerWaalsContact CE1-CD 3.49Å; Y75-K80 HydrophobicContact CG-CB 4.42Å; Y75-K80 PolarHBondContact O-N 2.86Å; Y75-I81 HydrophobicContact CD1-CD1 4.49Å; Y75-I81 HydrophobicContact CD1-CG1 4.41Å; Y75-I81 HydrophobicContact CG-CD1 4.38Å; Y75-I81 PolarHBondContact O-N 2.86Å; Y75-I81 VanDerWaalsContact O-N 3.08Å; Y75-T104 WeakPolarHBondContact OH-CG2 3.38Å; Y75-F107 AromaticContact CD1-CE1 3.99Å; Y75-F107 HydrophobicContact CD1-CE1 3.99Å; Y75-F107 HydrophobicContact CD2-CE1 4.12Å; Y75-F107 HydrophobicContact CE1-CD1 4.28Å; Y75-F107 AromaticContact CE1-CE1 3.96Å; Y75-F107 HydrophobicContact CE1-CE1 3.96Å; Y75-F107 HydrophobicContact CE2-CD1 4.42Å; Y75-F107 HydrophobicContact CE2-CE1 4.07Å; Y75-F107 HydrophobicContact CG-CE1 4.1Å; Y75-E108 HydrophobicContact CE1-CG 3.68Å; Y75-E108 WeakPolarHBondContact CE1-OE1 3.39Å; Y75-E108 VanDerWaalsContact CZ-OE1 3.32Å; Y75-E108 PolarHBondContact OH-OE1 3.16Å; Y75-V113 HydrophobicContact CD1-CG2 4.25Å; Y75-V113 HydrophobicContact CE1-CG2 4.29Å |
| 76 | I | 95.5 | Very high | 92.8 | Very high | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -71.6 | -43.5 | 175 | -65.8 | 172.1 | 0 | 0 | 0 | 110.3 | T52 L55 L56 L59 L72 V73 S78 K79 I81 L87 | T52-I76 HydrophobicContact CG2-CG2 3.8Å; L55-I76 HydrophobicContact CB-CD1 4.34Å; L55-I76 HydrophobicContact CB-CG2 4.07Å; L56-I76 HydrophobicContact CD2-CB 4.27Å; L56-I76 HydrophobicContact CD2-CD1 4.22Å; L56-I76 HydrophobicContact CD2-CG2 3.85Å; L56-I76 HydrophobicContact CG-CG2 4.03Å; L59-I76 HydrophobicContact CB-CD1 4.06Å; L59-I76 HydrophobicContact CD2-CD1 3.75Å; L59-I76 HydrophobicContact CG-CD1 4.44Å; L72-I76 WeakPolarHBondContact O-CG1 3.26Å; L72-I76 PolarHBondContact O-N 3.25Å; L72-I76 VanDerWaalsContact O-N 3.09Å; V73-I76 PolarHBondContact O-N 3.39Å; I76-S78 PolarHBondContact O-N 3.33Å; I76-K79 PolarHBondContact O-N 3.41Å; I76-I81 HydrophobicContact CG1-CB 4.21Å; I76-I81 HydrophobicContact CG1-CG2 4.14Å; I76-L87 HydrophobicContact CD1-CD1 4.16Å |
| 77 | A | 93.4 | Very high | 93.2 | Very high | 4 Ų | 4 | 41.1 Ų | 41.1 | 3% | 0.033 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.2 | -41.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | A40 T43 L44 V73 K79 | A40-A77 HydrophobicContact CB-CB 4.33Å; T43-A77 HydrophobicContact CG2-CB 4.07Å; L44-A77 HydrophobicContact CD1-CB 4.5Å; L44-A77 WeakPolarHBondContact CD2-O 3.43Å; L44-A77 HydrophobicContact CG-CB 4.14Å; V73-A77 VanDerWaalsContact O-CB 3.23Å; V73-A77 WeakPolarHBondContact O-CB 3.33Å; V73-A77 PolarHBondContact O-N 2.58Å; A77-K79 PolarHBondContact O-N 3.02Å |
| 78 | S | 91.9 | Very high | 93.5 | Very high | 64 Ų | 64 | 35.8 Ų | 35.8 | 45% | 0.448 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | 1.8 | 174.9 | 56.8 | 0 | 0 | 0 | 0 | 114.2 | S74 Y75 I76 K80 | S74-S78 WeakPolarHBondContact O-CB 3.21Å; S74-S78 PolarHBondContact O-N 3.12Å; S74-S78 PolarHBondContact O-OG 2.93Å; Y75-S78 PolarHBondContact O-OG 3Å; I76-S78 PolarHBondContact O-N 3.33Å; S78-K80 PolarHBondContact O-N 3.28Å; S78-K80 VanDerWaalsContact O-N 3.17Å |
| 79 | K | 92.5 | Very high | 93.7 | Very high | 111 Ų | 111 | 36 Ų | 36 | 48% | 0.483 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | 25.6 | -175 | -58.4 | -171.8 | 174.7 | -172.6 | 0 | 114 | D49 Y75 I76 A77 H82 | D49-K79 IonicContact OD2-NZ 3.74Å; D49-K79 PolarHBondContact OD2-NZ 3.17Å; Y75-K79 PolarHBondContact O-N 3.43Å; I76-K79 PolarHBondContact O-N 3.41Å; A77-K79 PolarHBondContact O-N 3.02Å; K79-H82 PolarHBondContact O-CD2 3.4Å |
| 80 | K | 92.6 | Very high | 93.8 | Very high | 86 Ų | 86 | 35.4 Ų | 35.4 | 37% | 0.374 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -71.5 | -35.6 | 167.4 | -75.6 | -173.6 | 170.4 | -166.8 | 0 | 111.3 | Y75 S78 E108 V113 | Y75-K80 HydrophobicContact CD1-CB 3.56Å; Y75-K80 HydrophobicContact CD1-CD 3.66Å; Y75-K80 HydrophobicContact CD1-CG 4.27Å; Y75-K80 HydrophobicContact CE1-CB 4.18Å; Y75-K80 HydrophobicContact CE1-CD 3.49Å; Y75-K80 VanDerWaalsContact CE1-CD 3.49Å; Y75-K80 HydrophobicContact CG-CB 4.42Å; Y75-K80 PolarHBondContact O-N 2.86Å; S78-K80 PolarHBondContact O-N 3.28Å; S78-K80 VanDerWaalsContact O-N 3.17Å; K80-E108 IonicContact NZ-OE1 3.1Å; K80-E108 PolarHBondContact NZ-OE1 3.35Å; K80-V113 HydrophobicContact CB-CG1 3.83Å; K80-V113 HydrophobicContact CD-CG1 4.07Å; K80-V113 HydrophobicContact CG-CG1 4.07Å |
| 81 | I | 95 | Very high | 93.9 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -108.1 | 110 | 167 | -66.3 | 175.3 | 0 | 0 | 0 | 107.1 | Y75 I76 Q86 L87 A90 F107 V113 | Y75-I81 HydrophobicContact CD1-CD1 4.49Å; Y75-I81 HydrophobicContact CD1-CG1 4.41Å; Y75-I81 HydrophobicContact CG-CD1 4.38Å; Y75-I81 PolarHBondContact O-N 2.86Å; Y75-I81 VanDerWaalsContact O-N 3.08Å; I76-I81 HydrophobicContact CG1-CB 4.21Å; I76-I81 HydrophobicContact CG1-CG2 4.14Å; I81-Q86 HydrophobicContact CG2-CB 3.97Å; I81-L87 HydrophobicContact CG2-CB 4.06Å; I81-A90 HydrophobicContact CD1-CB 3.66Å; I81-F107 HydrophobicContact CD1-CE1 4.43Å; I81-F107 HydrophobicContact CD1-CZ 4.05Å; I81-V113 HydrophobicContact CG1-CG2 4.36Å |
| 82 | H | 93.1 | Very high | 94 | Very high | 103 Ų | 103 | 35 Ų | 35 | 48% | 0.477 | 19% | 0.186 | S | C | . | . | trans | -134.8 | 9.2 | -175.5 | 64.6 | 77.4 | 0 | 0 | 0 | 113.1 | K79 | K79-H82 PolarHBondContact O-CD2 3.4Š| ||
| 83 | T | 91.6 | Very high | 93.9 | Very high | 15 Ų | 15 | 35.7 Ų | 35.7 | 9% | 0.092 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -131.5 | 154.8 | 175.7 | 68.7 | 0 | 0 | 0 | 0 | 111.7 | Q86 L87 | T83-Q86 PolarHBondContact O-N 3.34Å; T83-Q86 WeakPolarHBondContact OG1-CB 3.47Å; T83-Q86 VanDerWaalsContact OG1-CD 3.24Å; T83-Q86 WeakPolarHBondContact OG1-CG 3.41Å; T83-Q86 PolarHBondContact OG1-N 3.38Å; T83-Q86 PolarHBondContact OG1-OE1 3.08Å; T83-L87 PolarHBondContact O-N 3.17Å |
| 84 | E | 92.4 | Very high | 93.7 | Very high | 82 Ų | 82 | 35.9 Ų | 35.9 | 38% | 0.383 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -61.5 | -39.4 | 176.4 | -97.9 | -65.2 | 155.2 | 0 | 0 | 114.3 | L55 R62 L87 S88 | L55-E84 HydrophobicContact CD2-CG 4.48Å; R62-E84 IonicContact NH1-OE2 3.03Å; R62-E84 PolarHBondContact NH1-OE2 3.03Å; R62-E84 VanDerWaalsContact NH1-OE2 3.13Å; E84-L87 PolarHBondContact O-N 2.94Å; E84-S88 VanDerWaalsContact O-CB 3.31Å; E84-S88 WeakPolarHBondContact O-CB 3.15Å; E84-S88 PolarHBondContact O-N 3.22Å; E84-S88 PolarHBondContact O-OG 2.98Å |
| 85 | P | 92.1 | Very high | 93.6 | Very high | 42 Ų | 42 | 42.1 Ų | 42.1 | 27% | 0.273 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -62.1 | -42.1 | 173.6 | -24.9 | 35.4 | 0 | 0 | 0 | 113 | S88 A89 K158 W159 | P85-S88 PolarHBondContact O-N 3.29Å; P85-A89 WeakPolarHBondContact O-CB 3.35Å; P85-A89 PolarHBondContact O-N 3.26Å; P85-K158 WeakPolarHBondContact CB-O 3.18Å; P85-W159 HydrophobicContact CB-CE3 4.19Å |
| 86 | Q | 94.1 | Very high | 93.3 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.3 | -45.3 | 175.4 | -69.6 | 170.7 | -38.9 | 0 | 0 | 111 | I81 T83 S88 A89 A90 C111 G112 W159 | I81-Q86 HydrophobicContact CG2-CB 3.97Å; T83-Q86 PolarHBondContact O-N 3.34Å; T83-Q86 WeakPolarHBondContact OG1-CB 3.47Å; T83-Q86 VanDerWaalsContact OG1-CD 3.24Å; T83-Q86 WeakPolarHBondContact OG1-CG 3.41Å; T83-Q86 PolarHBondContact OG1-N 3.38Å; T83-Q86 PolarHBondContact OG1-OE1 3.08Å; Q86-S88 VanDerWaalsContact C-N 3.32Å; Q86-S88 PolarHBondContact O-N 2.95Å; Q86-A89 PolarHBondContact O-N 3.35Å; Q86-A90 WeakPolarHBondContact O-CB 3.49Å; Q86-A90 PolarHBondContact O-N 3.37Å; Q86-C111 WeakPolarHBondContact CG-O 3.49Å; Q86-G112 PolarHBondContact NE2-O 3.02Å; Q86-W159 HydrophobicContact CG-CE3 3.88Å; Q86-W159 HydrophobicContact CG-CZ3 4.41Å |
| 87 | L | 95.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.4 | -41.6 | 175.8 | 175.6 | 59.9 | 0 | 0 | 0 | 111.7 | L55 L59 I76 I81 T83 E84 A90 L91 | L55-L87 HydrophobicContact CB-CD2 4.45Å; L55-L87 HydrophobicContact CD2-CB 4.38Å; L55-L87 HydrophobicContact CD2-CD2 4.04Å; L55-L87 WeakPolarHBondContact O-CD2 3.16Å; L59-L87 HydrophobicContact CB-CD1 4.08Å; L59-L87 HydrophobicContact CD1-CD1 4.14Å; I76-L87 HydrophobicContact CD1-CD1 4.16Å; I81-L87 HydrophobicContact CG2-CB 4.06Å; T83-L87 PolarHBondContact O-N 3.17Å; E84-L87 PolarHBondContact O-N 2.94Å; L87-A90 PolarHBondContact O-N 3.47Å; L87-L91 HydrophobicContact CD1-CD1 4.18Å; L87-L91 HydrophobicContact CD1-CG 4.23Å; L87-L91 HydrophobicContact CG-CD1 4.07Å; L87-L91 WeakPolarHBondContact O-CB 3.31Å; L87-L91 VanDerWaalsContact O-CG 3.26Å; L87-L91 WeakPolarHBondContact O-CG 3.5Å; L87-L91 PolarHBondContact O-N 3.41Å |
| 88 | S | 94.3 | Very high | 92.6 | Very high | 39 Ų | 39 | 51.4 Ų | 51.4 | 27% | 0.273 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -65.4 | -40.3 | 178 | -63.8 | 0 | 0 | 0 | 0 | 112.2 | R62 E84 P85 Q86 E92 | R62-S88 PolarHBondContact NH1-OG 2.82Å; R62-S88 PolarHBondContact NH2-OG 3.11Å; E84-S88 VanDerWaalsContact O-CB 3.31Å; E84-S88 WeakPolarHBondContact O-CB 3.15Å; E84-S88 PolarHBondContact O-N 3.22Å; E84-S88 PolarHBondContact O-OG 2.98Å; P85-S88 PolarHBondContact O-N 3.29Å; Q86-S88 VanDerWaalsContact C-N 3.32Å; Q86-S88 PolarHBondContact O-N 2.95Å; S88-E92 WeakPolarHBondContact O-CB 3.4Å; S88-E92 PolarHBondContact O-N 2.82Å |
| 89 | A | 94.2 | Very high | 92.2 | Very high | 20 Ų | 20 | 55.1 Ų | 55.1 | 17% | 0.165 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.8 | -42.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | P85 Q86 L91 E92 Y93 W159 | P85-A89 WeakPolarHBondContact O-CB 3.35Å; P85-A89 PolarHBondContact O-N 3.26Å; Q86-A89 PolarHBondContact O-N 3.35Å; A89-L91 PolarHBondContact O-N 2.93Å; A89-E92 WeakPolarHBondContact O-CB 3.38Å; A89-E92 PolarHBondContact O-N 2.83Å; A89-Y93 WeakPolarHBondContact O-CB 3.16Å; A89-Y93 PolarHBondContact O-N 3.3Å; A89-W159 HydrophobicContact CB-CH2 3.59Å; A89-W159 HydrophobicContact CB-CZ3 3.58Å |
| 90 | A | 94.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.2 | -40.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L72 I81 Q86 L87 E92 Y93 V94 F107 C111 | L72-A90 HydrophobicContact CD2-CB 3.9Å; I81-A90 HydrophobicContact CD1-CB 3.66Å; Q86-A90 WeakPolarHBondContact O-CB 3.49Å; Q86-A90 PolarHBondContact O-N 3.37Å; L87-A90 PolarHBondContact O-N 3.47Å; A90-E92 VanDerWaalsContact C-N 3.34Å; A90-Y93 PolarHBondContact O-N 3.36Å; A90-V94 WeakPolarHBondContact O-CB 3.48Å; A90-V94 WeakPolarHBondContact O-CG2 3.41Å; A90-V94 PolarHBondContact O-N 2.74Å; A90-F107 HydrophobicContact CB-CE2 3.79Å; A90-F107 HydrophobicContact CB-CZ 3.76Å; A90-C111 WeakPolarHBondContact CA-SG 3.32Å |
| 91 | L | 94.4 | Very high | 91.4 | Very high | 19 Ų | 19 | 56.7 Ų | 56.7 | 10% | 0.099 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.2 | -39.2 | 173.6 | -74.9 | 167.4 | 0 | 0 | 0 | 112.1 | L59 R62 L63 L72 L87 A89 R95 | L59-L91 HydrophobicContact CD1-CD2 4Å; R62-L91 HydrophobicContact CB-CD1 3.65Å; R62-L91 HydrophobicContact CB-CD2 4.39Å; R62-L91 HydrophobicContact CG-CD1 4.43Å; L63-L91 HydrophobicContact CB-CD2 3.99Å; L63-L91 HydrophobicContact CD1-CD2 3.95Å; L72-L91 HydrophobicContact CD1-CD2 4.42Å; L87-L91 HydrophobicContact CD1-CD1 4.18Å; L87-L91 HydrophobicContact CD1-CG 4.23Å; L87-L91 HydrophobicContact CG-CD1 4.07Å; L87-L91 WeakPolarHBondContact O-CB 3.31Å; L87-L91 VanDerWaalsContact O-CG 3.26Å; L87-L91 WeakPolarHBondContact O-CG 3.5Å; L87-L91 PolarHBondContact O-N 3.41Å; A89-L91 PolarHBondContact O-N 2.93Å; L91-R95 WeakPolarHBondContact O-CB 3.39Å; L91-R95 PolarHBondContact O-N 3.02Å |
| 92 | E | 94 | Very high | 91.1 | Very high | 88 Ų | 88 | 57.7 Ų | 57.7 | 41% | 0.411 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -67.1 | -45.6 | 176 | -173.7 | 57.3 | -140.4 | 0 | 0 | 111.5 | S88 A89 A90 V94 R95 S96 | S88-E92 WeakPolarHBondContact O-CB 3.4Å; S88-E92 PolarHBondContact O-N 2.82Å; A89-E92 WeakPolarHBondContact O-CB 3.38Å; A89-E92 PolarHBondContact O-N 2.83Å; A90-E92 VanDerWaalsContact C-N 3.34Å; E92-V94 PolarHBondContact O-N 3.26Å; E92-R95 WeakPolarHBondContact O-CB 3.45Å; E92-R95 PolarHBondContact O-N 3.09Å; E92-R95 VanDerWaalsContact O-N 3.11Å; E92-R95 IonicContact OE1-CZ 2.88Å; E92-R95 VanDerWaalsContact OE1-CZ 3.3Å; E92-R95 IonicContact OE1-NE 3.3Å; E92-R95 PolarHBondContact OE1-NE 3.46Å; E92-R95 IonicContact OE1-NH2 3.14Å; E92-R95 PolarHBondContact OE1-NH2 3.49Å; E92-R95 IonicContact OE2-CZ 3.69Å; E92-R95 IonicContact OE2-NE 3.16Å; E92-R95 PolarHBondContact OE2-NE 3.05Å; E92-R95 IonicContact OE2-NH2 3.31Å; E92-R95 PolarHBondContact OE2-NH2 3.32Å; E92-S96 PolarHBondContact O-N 3.35Å; E92-S96 PolarHBondContact O-OG 3.48Å |
| 93 | Y | 93.9 | Very high | 91.1 | Very high | 14 Ų | 14 | 57.3 Ų | 57.3 | 6% | 0.055 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.9 | -46.5 | 179.4 | -174.2 | -78.3 | 0 | 0 | 0 | 111.6 | A89 A90 R95 S96 H97 I102 D106 F107 E110 | A89-Y93 WeakPolarHBondContact O-CB 3.16Å; A89-Y93 PolarHBondContact O-N 3.3Å; A90-Y93 PolarHBondContact O-N 3.36Å; Y93-R95 PolarHBondContact O-N 3.26Å; Y93-S96 WeakPolarHBondContact CA-OG 3.28Å; Y93-S96 PolarHBondContact O-N 3.37Å; Y93-S96 PolarHBondContact O-OG 2.87Å; Y93-H97 HydrophobicContact CD1-CB 4.37Å; Y93-H97 AromaticContact CD1-ND1 3.63Å; Y93-H97 AromaticContact CD2-CE1 3.83Å; Y93-H97 AromaticContact CD2-ND1 3.79Å; Y93-H97 HydrophobicContact CE1-CB 4.13Å; Y93-H97 AromaticContact CE1-CG 3.89Å; Y93-H97 AromaticContact CE1-ND1 3.63Å; Y93-H97 AromaticContact CE2-CE1 3.61Å; Y93-H97 AromaticContact CE2-ND1 3.77Å; Y93-H97 AromaticContact CG-ND1 3.74Å; Y93-H97 AromaticContact CZ-CE1 3.86Å; Y93-H97 AromaticContact CZ-ND1 3.71Å; Y93-H97 WeakPolarHBondContact O-CB 3.44Å; Y93-H97 PolarHBondContact O-N 3.47Å; Y93-H97 PolarHBondContact O-ND1 2.91Å; Y93-I102 HydrophobicContact CE1-CG2 4.01Å; Y93-D106 WeakPolarHBondContact CE2-OD2 3.5Å; Y93-D106 WeakPolarHBondContact OH-CB 3.45Å; Y93-D106 PolarHBondContact OH-OD2 3Å; Y93-F107 HydrophobicContact CD1-CB 4.35Å; Y93-F107 AromaticContact CD1-CD2 3.48Å; Y93-F107 HydrophobicContact CD1-CD2 3.48Å; Y93-F107 VanDerWaalsContact CD1-CD2 3.48Å; Y93-F107 HydrophobicContact CD1-CE2 4.29Å; Y93-F107 HydrophobicContact CD1-CG 4.4Å; Y93-F107 HydrophobicContact CE1-CB 3.85Å; Y93-F107 AromaticContact CE1-CD2 3.84Å; Y93-F107 HydrophobicContact CE1-CD2 3.84Å; Y93-F107 HydrophobicContact CE1-CG 4.34Å; Y93-F107 AromaticContact CG-CD2 3.89Å; Y93-F107 HydrophobicContact CG-CD2 3.89Å; Y93-F107 PolarHBondContact OH-N 3.44Å; Y93-E110 HydrophobicContact CD2-CB 3.81Å; Y93-E110 HydrophobicContact CD2-CG 4.25Å; Y93-E110 HydrophobicContact CE2-CB 4.09Å; Y93-E110 HydrophobicContact CE2-CG 4.18Å |
| 94 | V | 92.9 | Very high | 91.1 | Very high | 5 Ų | 5 | 59.8 Ų | 59.8 | 3% | 0.03 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.9 | -33.1 | 177 | 164.7 | 0 | 0 | 0 | 0 | 111.5 | L63 D65 R68 L72 A90 E92 I102 F107 | L63-V94 HydrophobicContact CD1-CG1 4.36Å; D65-V94 HydrophobicContact CB-CG1 4.37Å; R68-V94 HydrophobicContact CB-CG1 3.75Å; R68-V94 HydrophobicContact CB-CG2 4.46Å; R68-V94 HydrophobicContact CG-CG1 3.53Å; L72-V94 HydrophobicContact CD1-CG2 4.15Å; L72-V94 HydrophobicContact CD2-CG2 4.23Å; L72-V94 HydrophobicContact CG-CG2 4.41Å; A90-V94 WeakPolarHBondContact O-CB 3.48Å; A90-V94 WeakPolarHBondContact O-CG2 3.41Å; A90-V94 PolarHBondContact O-N 2.74Å; E92-V94 PolarHBondContact O-N 3.26Å; V94-I102 HydrophobicContact CG2-CD1 4.27Å; V94-F107 HydrophobicContact CG2-CE2 4.49Å |
| 95 | R | 90.9 | Very high | 91 | Very high | 174 Ų | 174 | 60.9 Ų | 60.9 | 66% | 0.657 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -70.5 | -38.5 | 176.4 | -175.1 | -179.9 | 71.8 | 154.2 | -0.5 | 112.2 | L91 E92 Y93 | L91-R95 WeakPolarHBondContact O-CB 3.39Å; L91-R95 PolarHBondContact O-N 3.02Å; E92-R95 WeakPolarHBondContact O-CB 3.45Å; E92-R95 PolarHBondContact O-N 3.09Å; E92-R95 VanDerWaalsContact O-N 3.11Å; E92-R95 IonicContact OE1-CZ 2.88Å; E92-R95 VanDerWaalsContact OE1-CZ 3.3Å; E92-R95 IonicContact OE1-NE 3.3Å; E92-R95 PolarHBondContact OE1-NE 3.46Å; E92-R95 IonicContact OE1-NH2 3.14Å; E92-R95 PolarHBondContact OE1-NH2 3.49Å; E92-R95 IonicContact OE2-CZ 3.69Å; E92-R95 IonicContact OE2-NE 3.16Å; E92-R95 PolarHBondContact OE2-NE 3.05Å; E92-R95 IonicContact OE2-NH2 3.31Å; E92-R95 PolarHBondContact OE2-NH2 3.32Å; Y93-R95 PolarHBondContact O-N 3.26Å |
| 96 | S | 90.9 | Very high | 91.1 | Very high | 66 Ų | 66 | 61.7 Ų | 61.7 | 46% | 0.462 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -79.8 | -19.8 | 178.4 | 56.4 | 0 | 0 | 0 | 0 | 113.6 | E92 Y93 P98 | E92-S96 PolarHBondContact O-N 3.35Å; E92-S96 PolarHBondContact O-OG 3.48Å; Y93-S96 WeakPolarHBondContact CA-OG 3.28Å; Y93-S96 PolarHBondContact O-N 3.37Å; Y93-S96 PolarHBondContact O-OG 2.87Å; S96-P98 VanDerWaalsContact C-CD 3.45Å; S96-P98 WeakPolarHBondContact O-CD 3.38Å |
| 97 | H | 90.3 | Very high | 91.1 | Very high | 78 Ų | 78 | 61.6 Ų | 61.6 | 36% | 0.361 | 34% | 0.337 | S | S | . | . | trans | -117.3 | 74 | -179.5 | -59.2 | 90.3 | 0 | 0 | 0 | 112.5 | Y93 L99 | Y93-H97 HydrophobicContact CD1-CB 4.37Å; Y93-H97 AromaticContact CD1-ND1 3.63Å; Y93-H97 AromaticContact CD2-CE1 3.83Å; Y93-H97 AromaticContact CD2-ND1 3.79Å; Y93-H97 HydrophobicContact CE1-CB 4.13Å; Y93-H97 AromaticContact CE1-CG 3.89Å; Y93-H97 AromaticContact CE1-ND1 3.63Å; Y93-H97 AromaticContact CE2-CE1 3.61Å; Y93-H97 AromaticContact CE2-ND1 3.77Å; Y93-H97 AromaticContact CG-ND1 3.74Å; Y93-H97 AromaticContact CZ-CE1 3.86Å; Y93-H97 AromaticContact CZ-ND1 3.71Å; Y93-H97 WeakPolarHBondContact O-CB 3.44Å; Y93-H97 PolarHBondContact O-N 3.47Å; Y93-H97 PolarHBondContact O-ND1 2.91Å; H97-L99 VanDerWaalsContact C-N 3.26Å; H97-L99 PolarHBondContact O-N 3.42Å | ||
| 98 | P | 83.3 | Confident | 91.1 | Very high | 71 Ų | 71 | 64 Ų | 64 | 46% | 0.461 | 35% | 0.348 | S | S | . | . | trans | -75.8 | -10 | -174.4 | 31.2 | -36.9 | 0 | 0 | 0 | 114.5 | R67 S96 | R67-P98 PolarHBondContact NH2-O 2.92Å; S96-P98 VanDerWaalsContact C-CD 3.45Å; S96-P98 WeakPolarHBondContact O-CD 3.38Å | ||
| 99 | L | 83.4 | Confident | 91 | Very high | 143 Ų | 143 | 68.7 Ų | 68.7 | 75% | 0.749 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -92.7 | 147 | -175.4 | -62.8 | 174.6 | 0 | 0 | 0 | 111.8 | R68 H97 | R68-L99 PolarHBondContact NH2-O 3.14Å; H97-L99 VanDerWaalsContact C-N 3.26Å; H97-L99 PolarHBondContact O-N 3.42Å |
| 100 | D | 82.4 | Confident | 90.9 | Very high | 106 Ų | 106 | 72.3 Ų | 72.3 | 57% | 0.567 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -95.6 | 145.7 | 170 | -78.4 | -52.3 | 0 | 0 | 0 | 110.9 | R68 | R68-D100 IonicContact CZ-OD1 3.53Å; R68-D100 IonicContact NH1-OD1 3.12Å; R68-D100 PolarHBondContact NH1-OD1 3.07Å; R68-D100 IonicContact NH2-OD1 3.47Å; R68-D100 PolarHBondContact NH2-OD1 2.81Å |
| 101 | P | 86.6 | Confident | 90.9 | Very high | 123 Ų | 123 | 72.3 Ų | 72.3 | 80% | 0.799 | 38% | 0.379 | S | S | * | . | S | Bend | cis | -81.9 | 153.9 | -4.2 | 33.5 | -34.3 | 0 | 0 | 0 | 113.2 | ||
| 102 | I | 88.9 | Confident | 90.8 | Very high | 22 Ų | 22 | 71.4 Ų | 71.4 | 11% | 0.113 | 38% | 0.375 | C | S | . | . | P | Polyproline II helix | trans | -74.2 | 132.8 | 166.4 | -76.4 | 174.1 | 0 | 0 | 0 | 108.7 | R68 F71 Y93 V94 T104 F107 | R68-I102 VanDerWaalsContact NH1-CD1 3.3Å; F71-I102 HydrophobicContact CD1-CD1 4.35Å; F71-I102 HydrophobicContact CE1-CD1 4.18Å; F71-I102 HydrophobicContact CE1-CG2 4.44Å; F71-I102 HydrophobicContact CZ-CG2 4.19Å; Y93-I102 HydrophobicContact CE1-CG2 4.01Å; V94-I102 HydrophobicContact CG2-CD1 4.27Å; I102-T104 PolarHBondContact O-N 3.49Å; I102-F107 HydrophobicContact CG2-CB 3.89Å; I102-F107 HydrophobicContact CG2-CG 4.4Å |
| 103 | D | 91.8 | Very high | 90.7 | Very high | 95 Ų | 95 | 68.3 Ų | 68.3 | 51% | 0.508 | 36% | 0.362 | S | S | . | . | trans | -70.4 | 112.8 | 165.8 | -171.7 | -26.6 | 0 | 0 | 0 | 109.5 | V105 D106 F107 | D103-V105 VanDerWaalsContact C-N 3.33Å; D103-V105 PolarHBondContact O-N 3.44Å; D103-V105 PolarHBondContact OD1-N 3Å; D103-D106 HydrophobicContact CB-CB 3.93Å; D103-D106 PolarHBondContact OD1-N 3.5Å; D103-F107 VanDerWaalsContact O-CB 3.25Å; D103-F107 WeakPolarHBondContact O-CB 3.45Å; D103-F107 PolarHBondContact O-N 3.33Å | ||
| 104 | T | 91.1 | Very high | 90.5 | Very high | 68 Ų | 68 | 71 Ų | 71 | 42% | 0.417 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -64.7 | -36.4 | -178.5 | -50.7 | 0 | 0 | 0 | 0 | 112.2 | Y75 I102 E108 | Y75-T104 WeakPolarHBondContact OH-CG2 3.38Å; I102-T104 PolarHBondContact O-N 3.49Å; T104-E108 HydrophobicContact CG2-CG 4.49Å; T104-E108 WeakPolarHBondContact O-CB 3.45Å; T104-E108 VanDerWaalsContact O-CG 3.28Å; T104-E108 WeakPolarHBondContact O-CG 3.39Å; T104-E108 PolarHBondContact O-N 2.97Å |
| 105 | V | 92 | Very high | 90.4 | Very high | 104 Ų | 104 | 73.8 Ų | 73.8 | 63% | 0.63 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -72.2 | -46 | -177 | 178.6 | 0 | 0 | 0 | 0 | 109.7 | D103 E108 Q109 | D103-V105 VanDerWaalsContact C-N 3.33Å; D103-V105 PolarHBondContact O-N 3.44Å; D103-V105 PolarHBondContact OD1-N 3Å; V105-E108 PolarHBondContact O-N 3.09Å; V105-Q109 WeakPolarHBondContact O-CB 3.22Å; V105-Q109 PolarHBondContact O-N 3.04Å |
| 106 | D | 93.4 | Very high | 90.4 | Very high | 59 Ų | 59 | 72.4 Ų | 72.4 | 32% | 0.316 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -63 | -43.8 | 176.8 | -168.1 | 52.6 | 0 | 0 | 0 | 111.3 | Y93 D103 E108 Q109 E110 | Y93-D106 WeakPolarHBondContact CE2-OD2 3.5Å; Y93-D106 WeakPolarHBondContact OH-CB 3.45Å; Y93-D106 PolarHBondContact OH-OD2 3Å; D103-D106 HydrophobicContact CB-CB 3.93Å; D103-D106 PolarHBondContact OD1-N 3.5Å; D106-E108 PolarHBondContact O-N 2.88Å; D106-Q109 PolarHBondContact O-N 2.9Å; D106-E110 WeakPolarHBondContact O-CB 3.49Å; D106-E110 PolarHBondContact O-N 2.87Å |
| 107 | F | 94.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -59.1 | -48.8 | 174.6 | 173.6 | -100.9 | 0 | 0 | 0 | 112.5 | F71 L72 Y75 I81 A90 Y93 V94 I102 D103 Q109 C111 | F71-F107 AromaticContact CE1-CD1 3.82Å; F71-F107 HydrophobicContact CE1-CD1 3.82Å; F71-F107 HydrophobicContact CE1-CD2 4.12Å; F71-F107 AromaticContact CE1-CE1 3.62Å; F71-F107 HydrophobicContact CE1-CE1 3.62Å; F71-F107 AromaticContact CE1-CE2 3.92Å; F71-F107 HydrophobicContact CE1-CE2 3.92Å; F71-F107 HydrophobicContact CE1-CG 4.06Å; F71-F107 AromaticContact CE1-CZ 3.67Å; F71-F107 HydrophobicContact CE1-CZ 3.67Å; F71-F107 AromaticContact CZ-CD1 3.65Å; F71-F107 HydrophobicContact CZ-CD1 3.65Å; F71-F107 AromaticContact CZ-CE1 3.79Å; F71-F107 HydrophobicContact CZ-CE1 3.79Å; F71-F107 HydrophobicContact CZ-CG 4.08Å; F71-F107 HydrophobicContact CZ-CZ 4.32Å; L72-F107 HydrophobicContact CD2-CE2 3.95Å; L72-F107 HydrophobicContact CD2-CZ 3.53Å; Y75-F107 AromaticContact CD1-CE1 3.99Å; Y75-F107 HydrophobicContact CD1-CE1 3.99Å; Y75-F107 HydrophobicContact CD2-CE1 4.12Å; Y75-F107 HydrophobicContact CE1-CD1 4.28Å; Y75-F107 AromaticContact CE1-CE1 3.96Å; Y75-F107 HydrophobicContact CE1-CE1 3.96Å; Y75-F107 HydrophobicContact CE2-CD1 4.42Å; Y75-F107 HydrophobicContact CE2-CE1 4.07Å; Y75-F107 HydrophobicContact CG-CE1 4.1Å; I81-F107 HydrophobicContact CD1-CE1 4.43Å; I81-F107 HydrophobicContact CD1-CZ 4.05Å; A90-F107 HydrophobicContact CB-CE2 3.79Å; A90-F107 HydrophobicContact CB-CZ 3.76Å; Y93-F107 HydrophobicContact CD1-CB 4.35Å; Y93-F107 AromaticContact CD1-CD2 3.48Å; Y93-F107 HydrophobicContact CD1-CD2 3.48Å; Y93-F107 VanDerWaalsContact CD1-CD2 3.48Å; Y93-F107 HydrophobicContact CD1-CE2 4.29Å; Y93-F107 HydrophobicContact CD1-CG 4.4Å; Y93-F107 HydrophobicContact CE1-CB 3.85Å; Y93-F107 AromaticContact CE1-CD2 3.84Å; Y93-F107 HydrophobicContact CE1-CD2 3.84Å; Y93-F107 HydrophobicContact CE1-CG 4.34Å; Y93-F107 AromaticContact CG-CD2 3.89Å; Y93-F107 HydrophobicContact CG-CD2 3.89Å; Y93-F107 PolarHBondContact OH-N 3.44Å; V94-F107 HydrophobicContact CG2-CE2 4.49Å; I102-F107 HydrophobicContact CG2-CB 3.89Å; I102-F107 HydrophobicContact CG2-CG 4.4Å; D103-F107 VanDerWaalsContact O-CB 3.25Å; D103-F107 WeakPolarHBondContact O-CB 3.45Å; D103-F107 PolarHBondContact O-N 3.33Å; F107-Q109 VanDerWaalsContact C-N 3.34Å; F107-Q109 PolarHBondContact O-N 3.43Å; F107-C111 WeakPolarHBondContact CE2-SG 3.26Å; F107-C111 WeakPolarHBondContact O-CB 3.46Å; F107-C111 PolarHBondContact O-N 2.96Å; F107-C111 PolarHBondContact O-SG 3.3Å |
| 108 | E | 94.8 | Very high | 90.4 | Very high | 49 Ų | 49 | 69.8 Ų | 69.8 | 23% | 0.229 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -62.1 | -42.7 | -179.8 | -79.2 | -169.8 | 175.8 | 0 | 0 | 111.5 | Y75 K80 T104 V105 D106 G112 V113 | Y75-E108 HydrophobicContact CE1-CG 3.68Å; Y75-E108 WeakPolarHBondContact CE1-OE1 3.39Å; Y75-E108 VanDerWaalsContact CZ-OE1 3.32Å; Y75-E108 PolarHBondContact OH-OE1 3.16Å; K80-E108 IonicContact NZ-OE1 3.1Å; K80-E108 PolarHBondContact NZ-OE1 3.35Å; T104-E108 HydrophobicContact CG2-CG 4.49Å; T104-E108 WeakPolarHBondContact O-CB 3.45Å; T104-E108 VanDerWaalsContact O-CG 3.28Å; T104-E108 WeakPolarHBondContact O-CG 3.39Å; T104-E108 PolarHBondContact O-N 2.97Å; V105-E108 PolarHBondContact O-N 3.09Å; D106-E108 PolarHBondContact O-N 2.88Å; E108-G112 PolarHBondContact O-N 2.75Å; E108-G112 VanDerWaalsContact O-N 3.17Å; E108-V113 HydrophobicContact CB-CB 3.88Å; E108-V113 HydrophobicContact CB-CG1 4.32Å; E108-V113 HydrophobicContact CB-CG2 4.3Å; E108-V113 HydrophobicContact CG-CB 3.98Å; E108-V113 HydrophobicContact CG-CG1 4.01Å; E108-V113 HydrophobicContact CG-CG2 4.14Å; E108-V113 WeakPolarHBondContact O-CB 3.33Å; E108-V113 PolarHBondContact O-N 3.07Å |
| 109 | Q | 92.3 | Very high | 90.6 | Very high | 139 Ų | 139 | 69.9 Ų | 69.9 | 65% | 0.65 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -65.7 | -49.7 | 179 | -176.4 | 173.8 | -20.5 | 0 | 0 | 112.1 | V105 D106 F107 C111 G112 | V105-Q109 WeakPolarHBondContact O-CB 3.22Å; V105-Q109 PolarHBondContact O-N 3.04Å; D106-Q109 PolarHBondContact O-N 2.9Å; F107-Q109 VanDerWaalsContact C-N 3.34Å; F107-Q109 PolarHBondContact O-N 3.43Å; Q109-C111 VanDerWaalsContact C-N 3.25Å; Q109-C111 PolarHBondContact O-N 3.11Å; Q109-G112 PolarHBondContact O-N 2.89Å; Q109-G112 VanDerWaalsContact O-N 3.14Å |
| 110 | E | 93.3 | Very high | 90.7 | Very high | 95 Ų | 95 | 67.8 Ų | 67.8 | 44% | 0.444 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -68.1 | -25.5 | -179 | -76.3 | -60.2 | 144 | 0 | 0 | 113.1 | Y93 D106 W159 | Y93-E110 HydrophobicContact CD2-CB 3.81Å; Y93-E110 HydrophobicContact CD2-CG 4.25Å; Y93-E110 HydrophobicContact CE2-CB 4.09Å; Y93-E110 HydrophobicContact CE2-CG 4.18Å; D106-E110 WeakPolarHBondContact O-CB 3.49Å; D106-E110 PolarHBondContact O-N 2.87Å; E110-W159 WeakPolarHBondContact O-CH2 3.27Å; E110-W159 WeakPolarHBondContact O-CZ2 3.42Å |
| 111 | C | 93.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -2.3 | 175.8 | -61.6 | 0 | 0 | 0 | 0 | 113.7 | Q86 A90 F107 Q109 V113 W159 | Q86-C111 WeakPolarHBondContact CG-O 3.49Å; A90-C111 WeakPolarHBondContact CA-SG 3.32Å; F107-C111 WeakPolarHBondContact CE2-SG 3.26Å; F107-C111 WeakPolarHBondContact O-CB 3.46Å; F107-C111 PolarHBondContact O-N 2.96Å; F107-C111 PolarHBondContact O-SG 3.3Å; Q109-C111 VanDerWaalsContact C-N 3.25Å; Q109-C111 PolarHBondContact O-N 3.11Å; C111-V113 VanDerWaalsContact C-N 3.31Å; C111-V113 HydrophobicContact CB-CG2 4.21Å; C111-V113 PolarHBondContact O-N 3.18Å; C111-W159 WeakPolarHBondContact O-CZ3 3.19Å |
| 112 | G | 92.4 | Very high | 91.5 | Very high | 1 Ų | 1 | 61.2 Ų | 61.2 | 1% | 0.01 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.4 | 33.5 | -178 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q86 E108 Q109 V115 | Q86-G112 PolarHBondContact NE2-O 3.02Å; E108-G112 PolarHBondContact O-N 2.75Å; E108-G112 VanDerWaalsContact O-N 3.17Å; Q109-G112 PolarHBondContact O-N 2.89Å; Q109-G112 VanDerWaalsContact O-N 3.14Å; G112-V115 WeakPolarHBondContact O-CB 3.26Å; G112-V115 PolarHBondContact O-N 2.92Å |
| 113 | V | 92.1 | Very high | 91.5 | Very high | 23 Ų | 23 | 64.8 Ų | 64.8 | 14% | 0.139 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | 131.1 | 172.9 | 174.3 | 0 | 0 | 0 | 0 | 108.7 | Y75 K80 I81 E108 C111 V115 | Y75-V113 HydrophobicContact CD1-CG2 4.25Å; Y75-V113 HydrophobicContact CE1-CG2 4.29Å; K80-V113 HydrophobicContact CB-CG1 3.83Å; K80-V113 HydrophobicContact CD-CG1 4.07Å; K80-V113 HydrophobicContact CG-CG1 4.07Å; I81-V113 HydrophobicContact CG1-CG2 4.36Å; E108-V113 HydrophobicContact CB-CB 3.88Å; E108-V113 HydrophobicContact CB-CG1 4.32Å; E108-V113 HydrophobicContact CB-CG2 4.3Å; E108-V113 HydrophobicContact CG-CB 3.98Å; E108-V113 HydrophobicContact CG-CG1 4.01Å; E108-V113 HydrophobicContact CG-CG2 4.14Å; E108-V113 WeakPolarHBondContact O-CB 3.33Å; E108-V113 PolarHBondContact O-N 3.07Å; C111-V113 VanDerWaalsContact C-N 3.31Å; C111-V113 HydrophobicContact CB-CG2 4.21Å; C111-V113 PolarHBondContact O-N 3.18Å; V113-V115 PolarHBondContact O-N 2.73Å |
| 114 | G | 89.5 | Confident | 91.5 | Very high | 71 Ų | 71 | 66.4 Ų | 66.4 | 73% | 0.732 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.5 | -4.2 | -175 | 0 | 0 | 0 | 0 | 0 | 114.7 | I116 | G114-I116 PolarHBondContact O-N 3.49Š|
| 115 | V | 91.2 | Very high | 91.7 | Very high | 63 Ų | 63 | 63.6 Ų | 63.6 | 38% | 0.382 | 35% | 0.348 | S | S | . | . | trans | -76.9 | 120.6 | 172.6 | -177.1 | 0 | 0 | 0 | 0 | 109.6 | G112 V113 W159 | G112-V115 WeakPolarHBondContact O-CB 3.26Å; G112-V115 PolarHBondContact O-N 2.92Å; V113-V115 PolarHBondContact O-N 2.73Å; V115-W159 HydrophobicContact CG1-CG 4.42Å | ||
| 116 | I | 90.4 | Very high | 91.8 | Very high | 144 Ų | 144 | 58.6 Ų | 58.6 | 74% | 0.738 | 32% | 0.318 | S | S | * | . | trans | -105.6 | 124.3 | 175.3 | -59.9 | 175.3 | 0 | 0 | 0 | 107.9 | G114 | G114-I116 PolarHBondContact O-N 3.49Š| ||
| 117 | V | 90.3 | Very high | 91.8 | Very high | 38 Ų | 38 | 60.3 Ų | 60.3 | 23% | 0.23 | 32% | 0.324 | C | S | . | . | trans | -98.3 | 125.1 | 170.1 | -175.3 | 0 | 0 | 0 | 0 | 108.7 | Q121 I122 L157 W159 A160 | V117-Q121 HydrophobicContact CG1-CB 4.21Å; V117-I122 HydrophobicContact CG1-CD1 4.32Å; V117-I122 HydrophobicContact CG1-CG1 3.91Å; V117-L157 HydrophobicContact CG1-CD1 4.22Å; V117-L157 HydrophobicContact CG1-CD2 4.2Å; V117-W159 HydrophobicContact CG2-CB 4.33Å; V117-A160 HydrophobicContact CB-CB 4.37Å; V117-A160 HydrophobicContact CG1-CB 4.07Å; V117-A160 HydrophobicContact CG2-CB 4.29Å | ||
| 118 | T | 90.4 | Very high | 91.8 | Very high | 51 Ų | 51 | 62.8 Ų | 62.8 | 31% | 0.313 | 34% | 0.344 | S | S | . | . | trans | -88 | 156.3 | -178.6 | 81.8 | 0 | 0 | 0 | 0 | 111.7 | E120 Q121 I122 | T118-E120 WeakPolarHBondContact CB-OE2 3.17Å; T118-E120 PolarHBondContact O-N 2.9Å; T118-E120 PolarHBondContact OG1-N 2.88Å; T118-E120 PolarHBondContact OG1-OE2 2.87Å; T118-Q121 PolarHBondContact O-N 3.34Å; T118-Q121 PolarHBondContact OG1-N 2.92Å; T118-I122 PolarHBondContact O-N 3.19Å | ||
| 119 | P | 87.6 | Confident | 91.8 | Very high | 74 Ų | 74 | 60.5 Ų | 60.5 | 48% | 0.481 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -54.2 | -38.9 | 172.8 | -26.4 | 36.1 | 0 | 0 | 0 | 113.1 | Q121 I122 E123 | P119-Q121 PolarHBondContact O-N 3.3Å; P119-I122 WeakPolarHBondContact O-CB 3.31Å; P119-I122 PolarHBondContact O-N 3.48Å; P119-I122 VanDerWaalsContact O-N 3.13Å; P119-E123 PolarHBondContact O-N 2.89Å |
| 120 | E | 87 | Confident | 91.8 | Very high | 98 Ų | 98 | 54.3 Ų | 54.3 | 46% | 0.458 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.3 | -39.7 | -179.7 | -58.8 | 74.8 | -164.1 | 0 | 0 | 111.6 | T118 I122 E123 E124 | T118-E120 WeakPolarHBondContact CB-OE2 3.17Å; T118-E120 PolarHBondContact O-N 2.9Å; T118-E120 PolarHBondContact OG1-N 2.88Å; T118-E120 PolarHBondContact OG1-OE2 2.87Å; E120-I122 VanDerWaalsContact C-N 3.28Å; E120-I122 PolarHBondContact O-N 3.07Å; E120-E123 WeakPolarHBondContact O-CB 3.45Å; E120-E123 PolarHBondContact O-N 2.89Å; E120-E124 WeakPolarHBondContact O-CG 3.12Å; E120-E124 PolarHBondContact O-N 3.43Å |
| 121 | Q | 91.7 | Very high | 91.8 | Very high | 83 Ų | 83 | 53.7 Ų | 53.7 | 39% | 0.388 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.3 | -36.7 | 174.7 | -69.3 | 176.4 | -46.4 | 0 | 0 | 111.9 | V117 T118 P119 A125 L157 | V117-Q121 HydrophobicContact CG1-CB 4.21Å; T118-Q121 PolarHBondContact O-N 3.34Å; T118-Q121 PolarHBondContact OG1-N 2.92Å; P119-Q121 PolarHBondContact O-N 3.3Å; Q121-A125 VanDerWaalsContact O-CB 3.28Å; Q121-A125 WeakPolarHBondContact O-CB 3.43Å; Q121-A125 PolarHBondContact O-N 2.73Å; Q121-A125 VanDerWaalsContact O-N 3.08Å; Q121-L157 HydrophobicContact CB-CD2 4.2Å |
| 122 | I | 92.9 | Very high | 91.8 | Very high | 9 Ų | 9 | 61.7 Ų | 61.7 | 5% | 0.046 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -68.4 | -45.6 | 175.4 | -59.6 | 173.1 | 0 | 0 | 0 | 110 | V117 T118 P119 E120 A125 V126 L157 A160 M164 I165 E168 | V117-I122 HydrophobicContact CG1-CD1 4.32Å; V117-I122 HydrophobicContact CG1-CG1 3.91Å; T118-I122 PolarHBondContact O-N 3.19Å; P119-I122 WeakPolarHBondContact O-CB 3.31Å; P119-I122 PolarHBondContact O-N 3.48Å; P119-I122 VanDerWaalsContact O-N 3.13Å; E120-I122 VanDerWaalsContact C-N 3.28Å; E120-I122 PolarHBondContact O-N 3.07Å; I122-A125 PolarHBondContact O-N 3.14Å; I122-V126 HydrophobicContact CG2-CG2 4.25Å; I122-V126 WeakPolarHBondContact O-CB 3.42Å; I122-V126 VanDerWaalsContact O-CG2 3.27Å; I122-V126 WeakPolarHBondContact O-CG2 3.39Å; I122-V126 PolarHBondContact O-N 2.89Å; I122-L157 HydrophobicContact CB-CD1 4.15Å; I122-L157 HydrophobicContact CG1-CD1 3.7Å; I122-A160 HydrophobicContact CD1-CB 4.44Å; I122-M164 HydrophobicContact CD1-CB 3.79Å; I122-I165 HydrophobicContact CG2-CG1 4.15Å; I122-E168 HydrophobicContact CG2-CB 3.85Å; I122-E168 HydrophobicContact CG2-CG 4.04Å |
| 123 | E | 89.6 | Confident | 91.9 | Very high | 96 Ų | 96 | 63 Ų | 63 | 45% | 0.449 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -55.1 | -52 | 176.8 | -175.3 | 177 | -179.1 | 0 | 0 | 111 | P119 E120 A125 V126 E127 Q172 | P119-E123 PolarHBondContact O-N 2.89Å; E120-E123 WeakPolarHBondContact O-CB 3.45Å; E120-E123 PolarHBondContact O-N 2.89Å; E123-A125 PolarHBondContact O-N 3.44Å; E123-V126 PolarHBondContact O-N 2.94Å; E123-E127 VanDerWaalsContact O-CB 3.31Å; E123-E127 WeakPolarHBondContact O-CB 3.43Å; E123-E127 PolarHBondContact O-N 3.39Å; E123-Q172 PolarHBondContact O-NE2 3.44Å |
| 124 | E | 92.3 | Very high | 91.9 | Very high | 129 Ų | 129 | 65.5 Ų | 65.5 | 60% | 0.603 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -63.4 | -41.4 | 179.1 | -71.7 | 176.8 | -174 | 0 | 0 | 112.6 | E120 E127 A128 | E120-E124 WeakPolarHBondContact O-CG 3.12Å; E120-E124 PolarHBondContact O-N 3.43Å; E124-E127 PolarHBondContact O-N 3.08Å; E124-A128 VanDerWaalsContact O-CB 3.31Å; E124-A128 WeakPolarHBondContact O-CB 3.36Å; E124-A128 PolarHBondContact O-N 2.85Å |
| 125 | A | 94.4 | Very high | 92 | Very high | 9 Ų | 9 | 66.8 Ų | 66.8 | 7% | 0.074 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -67.1 | -38.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112 | Q121 I122 E123 A129 V156 L157 | Q121-A125 VanDerWaalsContact O-CB 3.28Å; Q121-A125 WeakPolarHBondContact O-CB 3.43Å; Q121-A125 PolarHBondContact O-N 2.73Å; Q121-A125 VanDerWaalsContact O-N 3.08Å; I122-A125 PolarHBondContact O-N 3.14Å; E123-A125 PolarHBondContact O-N 3.44Å; A125-A129 PolarHBondContact O-N 3.44Å; A125-V156 HydrophobicContact CB-CB 4.37Å; A125-V156 HydrophobicContact CB-CG1 4.34Å; A125-L157 HydrophobicContact CB-CD1 3.73Å; A125-L157 HydrophobicContact CB-CG 4.06Å |
| 126 | V | 94.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -70.1 | -42.9 | 175.1 | 171.1 | 0 | 0 | 0 | 0 | 110.6 | I122 E123 A128 A129 I130 A153 I165 E168 V169 Q172 | I122-V126 HydrophobicContact CG2-CG2 4.25Å; I122-V126 WeakPolarHBondContact O-CB 3.42Å; I122-V126 VanDerWaalsContact O-CG2 3.27Å; I122-V126 WeakPolarHBondContact O-CG2 3.39Å; I122-V126 PolarHBondContact O-N 2.89Å; E123-V126 PolarHBondContact O-N 2.94Å; V126-A128 VanDerWaalsContact C-N 3.33Å; V126-A128 PolarHBondContact O-N 2.88Å; V126-A129 PolarHBondContact O-N 3Å; V126-A129 VanDerWaalsContact O-N 3.16Å; V126-I130 HydrophobicContact CG1-CD1 3.96Å; V126-I130 HydrophobicContact CG1-CG1 4.43Å; V126-I130 WeakPolarHBondContact O-CG1 3.39Å; V126-I130 PolarHBondContact O-N 2.99Å; V126-A153 HydrophobicContact CG2-CB 4.05Å; V126-I165 HydrophobicContact CG2-CG2 4.49Å; V126-E168 HydrophobicContact CB-CG 4.08Å; V126-E168 HydrophobicContact CG1-CG 4.31Å; V126-E168 HydrophobicContact CG2-CB 4.2Å; V126-E168 HydrophobicContact CG2-CG 3.99Å; V126-V169 HydrophobicContact CB-CG2 4.39Å; V126-V169 HydrophobicContact CG1-CB 4.34Å; V126-V169 HydrophobicContact CG1-CG2 3.77Å; V126-V169 HydrophobicContact CG2-CG2 3.68Å; V126-Q172 HydrophobicContact CG1-CB 4.3Å; V126-Q172 HydrophobicContact CG1-CG 4.28Å |
| 127 | E | 92.9 | Very high | 92.2 | Very high | 95 Ų | 95 | 61 Ų | 61 | 44% | 0.444 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60 | -45.1 | 177.1 | -170.5 | -170.5 | 161.3 | 0 | 0 | 110.7 | E123 E124 A129 I130 N131 Q172 | E123-E127 VanDerWaalsContact O-CB 3.31Å; E123-E127 WeakPolarHBondContact O-CB 3.43Å; E123-E127 PolarHBondContact O-N 3.39Å; E124-E127 PolarHBondContact O-N 3.08Å; E127-A129 VanDerWaalsContact C-N 3.32Å; E127-A129 PolarHBondContact O-N 2.78Å; E127-I130 PolarHBondContact O-N 3.03Å; E127-N131 WeakPolarHBondContact O-CB 3.36Å; E127-N131 VanDerWaalsContact O-CG 3.3Å; E127-N131 PolarHBondContact O-N 3.11Å; E127-N131 PolarHBondContact O-ND2 2.94Å; E127-Q172 VanDerWaalsContact CA-OE1 3.27Å |
| 128 | A | 94.3 | Very high | 92.2 | Very high | 51 Ų | 51 | 63.4 Ų | 63.4 | 42% | 0.421 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.2 | -40 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | E124 V126 R132 | E124-A128 VanDerWaalsContact O-CB 3.31Å; E124-A128 WeakPolarHBondContact O-CB 3.36Å; E124-A128 PolarHBondContact O-N 2.85Å; V126-A128 VanDerWaalsContact C-N 3.33Å; V126-A128 PolarHBondContact O-N 2.88Å; A128-R132 PolarHBondContact O-N 3.01Å |
| 129 | A | 94.9 | Very high | 92.2 | Very high | 2 Ų | 2 | 67 Ų | 67 | 2% | 0.017 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -68.3 | -41.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | A125 V126 E127 R132 H133 L149 E152 | A125-A129 PolarHBondContact O-N 3.44Å; V126-A129 PolarHBondContact O-N 3Å; V126-A129 VanDerWaalsContact O-N 3.16Å; E127-A129 VanDerWaalsContact C-N 3.32Å; E127-A129 PolarHBondContact O-N 2.78Å; A129-R132 PolarHBondContact O-N 2.88Å; A129-H133 PolarHBondContact O-CD2 3.18Å; A129-H133 VanDerWaalsContact O-CD2 3.31Å; A129-H133 PolarHBondContact O-N 3.41Å; A129-L149 HydrophobicContact CB-CD2 4.06Å; A129-E152 HydrophobicContact CB-CB 4.11Å |
| 130 | I | 92.9 | Very high | 92.3 | Very high | 9 Ų | 9 | 65.9 Ų | 65.9 | 5% | 0.046 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63 | -47.9 | 176.2 | -74.9 | 176.6 | 0 | 0 | 0 | 110.6 | V126 E127 R132 H133 Q134 L137 L149 Q172 V173 L176 | V126-I130 HydrophobicContact CG1-CD1 3.96Å; V126-I130 HydrophobicContact CG1-CG1 4.43Å; V126-I130 WeakPolarHBondContact O-CG1 3.39Å; V126-I130 PolarHBondContact O-N 2.99Å; E127-I130 PolarHBondContact O-N 3.03Å; I130-R132 PolarHBondContact O-N 3.21Å; I130-H133 CarbonylContact O-C 3.52Å; I130-H133 PolarHBondContact O-N 3.28Å; I130-Q134 WeakPolarHBondContact O-CA 3.34Å; I130-Q134 WeakPolarHBondContact O-CB 3.43Å; I130-Q134 PolarHBondContact O-N 3.29Å; I130-L137 HydrophobicContact CB-CD1 4.4Å; I130-L137 HydrophobicContact CG1-CD1 4.29Å; I130-L137 HydrophobicContact CG2-CD1 4.13Å; I130-L149 HydrophobicContact CG1-CD1 4.03Å; I130-L149 HydrophobicContact CG1-CD2 4.29Å; I130-Q172 HydrophobicContact CD1-CB 3.36Å; I130-Q172 HydrophobicContact CD1-CG 4.46Å; I130-V173 HydrophobicContact CD1-CG2 4.06Å; I130-L176 HydrophobicContact CG2-CD2 3.73Å |
| 131 | N | 92.8 | Very high | 92.6 | Very high | 81 Ų | 81 | 63.9 Ų | 63.9 | 43% | 0.433 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59.2 | -36 | 179.3 | -74.3 | -25 | 0 | 0 | 0 | 112 | E127 H133 | E127-N131 WeakPolarHBondContact O-CB 3.36Å; E127-N131 VanDerWaalsContact O-CG 3.3Å; E127-N131 PolarHBondContact O-N 3.11Å; E127-N131 PolarHBondContact O-ND2 2.94Å; N131-H133 VanDerWaalsContact C-N 3.33Å; N131-H133 PolarHBondContact O-N 2.77Å |
| 132 | R | 94.3 | Very high | 92.5 | Very high | 168 Ų | 168 | 62 Ų | 62 | 63% | 0.634 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -64.9 | -35 | 175.7 | -169.8 | 178.3 | -61 | 169.5 | -1.7 | 113.3 | A128 A129 I130 E152 | A128-R132 PolarHBondContact O-N 3.01Å; A129-R132 PolarHBondContact O-N 2.88Å; I130-R132 PolarHBondContact O-N 3.21Å; R132-E152 WeakPolarHBondContact CD-OE2 3.45Å; R132-E152 IonicContact CZ-OE2 3.21Å; R132-E152 IonicContact NE-OE2 3.33Å; R132-E152 IonicContact NH1-OE2 2.65Å; R132-E152 PolarHBondContact NH1-OE2 2.71Å |
| 133 | H | 94.2 | Very high | 92.3 | Very high | 29 Ų | 29 | 64.5 Ų | 64.5 | 13% | 0.134 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -106.6 | 5.9 | -177.4 | -66.6 | -73.5 | 0 | 0 | 0 | 113.6 | A129 I130 N131 P135 Q136 L137 F144 L149 E152 | A129-H133 PolarHBondContact O-CD2 3.18Å; A129-H133 VanDerWaalsContact O-CD2 3.31Å; A129-H133 PolarHBondContact O-N 3.41Å; I130-H133 CarbonylContact O-C 3.52Å; I130-H133 PolarHBondContact O-N 3.28Å; N131-H133 VanDerWaalsContact C-N 3.33Å; N131-H133 PolarHBondContact O-N 2.77Å; H133-P135 VanDerWaalsContact C-CD 3.47Å; H133-Q136 PolarHBondContact O-N 3.38Å; H133-L137 HydrophobicContact CB-CD1 4.07Å; H133-L137 HydrophobicContact CB-CG 4.31Å; H133-L137 PolarHBondContact O-N 2.99Å; H133-F144 HydrophobicContact CB-CE2 4.1Å; H133-F144 HydrophobicContact CB-CZ 3.8Å; H133-F144 AromaticContact CG-CZ 3.79Å; H133-L149 HydrophobicContact CB-CD2 4.4Å; H133-E152 IonicContact CD2-OE1 3.3Å; H133-E152 IonicContact CE1-OE1 3.22Å; H133-E152 IonicContact NE2-OE1 2.71Å; H133-E152 PolarHBondContact NE2-OE1 2.95Å; H133-E152 IonicContact NE2-OE2 3.6Å |
| 134 | Q | 91.1 | Very high | 92.5 | Very high | 75 Ų | 75 | 60.3 Ų | 60.3 | 35% | 0.35 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -53.4 | -44.4 | -169.9 | -171.8 | -176 | 3.7 | 0 | 0 | 113.5 | I130 Q136 L137 L138 L176 | I130-Q134 WeakPolarHBondContact O-CA 3.34Å; I130-Q134 WeakPolarHBondContact O-CB 3.43Å; I130-Q134 PolarHBondContact O-N 3.29Å; Q134-Q136 VanDerWaalsContact C-N 3.33Å; Q134-Q136 PolarHBondContact O-N 3.13Å; Q134-L137 PolarHBondContact O-N 3.19Å; Q134-L138 HydrophobicContact CG-CD1 4.04Å; Q134-L138 HydrophobicContact CG-CG 4.4Å; Q134-L138 WeakPolarHBondContact O-CG 3.46Å; Q134-L138 PolarHBondContact O-N 3.18Å; Q134-L176 HydrophobicContact CG-CD2 4.39Å |
| 135 | P | 92.6 | Very high | 92.5 | Very high | 98 Ų | 98 | 59.2 Ų | 59.2 | 64% | 0.636 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -61.6 | -40.3 | 178.2 | -22.6 | 34.5 | 0 | 0 | 0 | 112.7 | H133 V139 | H133-P135 VanDerWaalsContact C-CD 3.47Å; P135-V139 WeakPolarHBondContact O-CG2 3.26Å; P135-V139 PolarHBondContact O-N 3.27Å |
| 136 | Q | 93.3 | Very high | 92.4 | Very high | 87 Ų | 87 | 60.4 Ų | 60.4 | 41% | 0.407 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -75 | -38.6 | 179.8 | -166.8 | 178.9 | 0.6 | 0 | 0 | 111.5 | H133 Q134 V139 E140 F144 | H133-Q136 PolarHBondContact O-N 3.38Å; Q134-Q136 VanDerWaalsContact C-N 3.33Å; Q134-Q136 PolarHBondContact O-N 3.13Å; Q136-V139 PolarHBondContact O-N 2.97Å; Q136-E140 HydrophobicContact CG-CG 4.16Å; Q136-E140 WeakPolarHBondContact CG-OE1 3.31Å; Q136-E140 PolarHBondContact NE2-OE1 3.37Å; Q136-E140 WeakPolarHBondContact O-CB 3.35Å; Q136-E140 PolarHBondContact O-N 3.35Å; Q136-F144 HydrophobicContact CB-CD2 4.42Å; Q136-F144 HydrophobicContact CB-CE2 4.3Å; Q136-F144 HydrophobicContact CG-CD2 3.99Å; Q136-F144 HydrophobicContact CG-CE2 4.1Å |
| 137 | L | 91.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59.3 | -44.4 | 174.3 | -87 | 165.7 | 0 | 0 | 0 | 111.8 | I130 H133 Q134 V139 R141 F144 M146 L149 L176 L177 | I130-L137 HydrophobicContact CB-CD1 4.4Å; I130-L137 HydrophobicContact CG1-CD1 4.29Å; I130-L137 HydrophobicContact CG2-CD1 4.13Å; H133-L137 HydrophobicContact CB-CD1 4.07Å; H133-L137 HydrophobicContact CB-CG 4.31Å; H133-L137 PolarHBondContact O-N 2.99Å; Q134-L137 PolarHBondContact O-N 3.19Å; L137-V139 VanDerWaalsContact C-N 3.32Å; L137-V139 PolarHBondContact O-N 3.41Å; L137-R141 WeakPolarHBondContact O-CA 3.23Å; L137-R141 PolarHBondContact O-N 3.42Å; L137-F144 HydrophobicContact CD2-CB 3.93Å; L137-F144 HydrophobicContact CD2-CD1 3.45Å; L137-F144 VanDerWaalsContact CD2-CD1 3.45Å; L137-F144 HydrophobicContact CD2-CD2 4.31Å; L137-F144 HydrophobicContact CD2-CE1 4.01Å; L137-F144 HydrophobicContact CD2-CG 3.62Å; L137-F144 HydrophobicContact CG-CD1 4.1Å; L137-F144 HydrophobicContact CG-CD2 4.32Å; L137-F144 HydrophobicContact CG-CE1 4.28Å; L137-F144 HydrophobicContact CG-CE2 4.47Å; L137-F144 HydrophobicContact CG-CG 4.12Å; L137-F144 HydrophobicContact CG-CZ 4.46Å; L137-M146 HydrophobicContact CD2-CE 3.98Å; L137-M146 HydrophobicContact CD2-SD 4.13Å; L137-L149 HydrophobicContact CD1-CD1 4.25Å; L137-L149 HydrophobicContact CD1-CD2 4.26Å; L137-L149 HydrophobicContact CD2-CD1 4.36Å; L137-L176 HydrophobicContact CB-CD2 4.29Å; L137-L176 HydrophobicContact CD1-CD2 4.34Å; L137-L177 WeakPolarHBondContact O-CD2 3.38Å |
| 138 | L | 90.8 | Very high | 92.2 | Very high | 88 Ų | 88 | 61.2 Ų | 61.2 | 46% | 0.461 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -66.4 | -33 | 179.7 | -71.8 | 172.1 | 0 | 0 | 0 | 112.7 | Q134 L176 L177 | Q134-L138 HydrophobicContact CG-CD1 4.04Å; Q134-L138 HydrophobicContact CG-CG 4.4Å; Q134-L138 WeakPolarHBondContact O-CG 3.46Å; Q134-L138 PolarHBondContact O-N 3.18Å; L138-L176 HydrophobicContact CD2-CD1 4.01Å; L138-L176 HydrophobicContact CD2-CG 4.13Å; L138-L177 HydrophobicContact CD2-CD2 4.27Å |
| 139 | V | 90.4 | Very high | 92.2 | Very high | 126 Ų | 126 | 58.8 Ų | 58.8 | 76% | 0.764 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -81.6 | -50 | 179.6 | 174.3 | 0 | 0 | 0 | 0 | 112 | P135 Q136 L137 R141 | P135-V139 WeakPolarHBondContact O-CG2 3.26Å; P135-V139 PolarHBondContact O-N 3.27Å; Q136-V139 PolarHBondContact O-N 2.97Å; L137-V139 VanDerWaalsContact C-N 3.32Å; L137-V139 PolarHBondContact O-N 3.41Å; V139-R141 VanDerWaalsContact C-N 3.32Å |
| 140 | E | 91 | Very high | 92.1 | Very high | 51 Ų | 51 | 60.2 Ų | 60.2 | 24% | 0.238 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -80 | -17.4 | -177.3 | -65.7 | -166.2 | -153.6 | 0 | 0 | 113 | Q136 Y142 H143 F144 K188 | Q136-E140 HydrophobicContact CG-CG 4.16Å; Q136-E140 WeakPolarHBondContact CG-OE1 3.31Å; Q136-E140 PolarHBondContact NE2-OE1 3.37Å; Q136-E140 WeakPolarHBondContact O-CB 3.35Å; Q136-E140 PolarHBondContact O-N 3.35Å; E140-Y142 PolarHBondContact O-N 2.98Å; E140-H143 HydrophobicContact CB-CB 4.46Å; E140-H143 VanDerWaalsContact O-CB 3.27Å; E140-H143 WeakPolarHBondContact O-CB 3.42Å; E140-H143 PolarHBondContact O-N 3.39Å; E140-H143 PolarHBondContact O-ND1 3.29Å; E140-F144 HydrophobicContact CB-CB 4.1Å; E140-K188 IonicContact OE2-NZ 2.82Å; E140-K188 PolarHBondContact OE2-NZ 2.97Å |
| 141 | R | 91.9 | Very high | 92.1 | Very high | 55 Ų | 55 | 61.6 Ų | 61.6 | 21% | 0.208 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | 46.4 | -121.6 | -173.4 | -59 | -167.2 | 73.7 | -149.5 | -0.5 | 111 | L137 V139 H143 F144 M146 L177 P179 L181 D184 | L137-R141 WeakPolarHBondContact O-CA 3.23Å; L137-R141 PolarHBondContact O-N 3.42Å; V139-R141 VanDerWaalsContact C-N 3.32Å; R141-H143 VanDerWaalsContact C-N 3.26Å; R141-H143 PolarHBondContact O-N 3.03Å; R141-F144 WeakPolarHBondContact O-CB 3.23Å; R141-F144 PolarHBondContact O-N 3.45Å; R141-M146 WeakPolarHBondContact O-CE 3.49Å; R141-L177 HydrophobicContact CB-CD1 4.23Å; R141-L177 PolarHBondContact NH2-O 2.93Å; R141-P179 PolarHBondContact NH2-O 2.79Å; R141-P179 VanDerWaalsContact NH2-O 3.14Å; R141-L181 VanDerWaalsContact NH1-CD1 3.32Å; R141-D184 WeakPolarHBondContact CB-OD1 3.49Å; R141-D184 IonicContact CZ-OD2 3.7Å; R141-D184 IonicContact NH1-OD1 2.71Å; R141-D184 IonicContact NH1-OD2 3.53Å; R141-D184 PolarHBondContact NH1-OD2 3.2Å |
| 142 | Y | 89.9 | Confident | 92.1 | Very high | 44 Ų | 44 | 59.8 Ų | 59.8 | 17% | 0.173 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -81.2 | 0.5 | -177.5 | -69.2 | -78 | 0 | 0 | 0 | 114.6 | E140 F144 M146 V173 L174 L177 G178 K180 D184 | E140-Y142 PolarHBondContact O-N 2.98Å; Y142-F144 VanDerWaalsContact C-N 3.3Å; Y142-M146 HydrophobicContact CD1-CE 4.42Å; Y142-V173 HydrophobicContact CE1-CG1 4.07Å; Y142-L174 WeakPolarHBondContact OH-CD1 3.28Å; Y142-L177 HydrophobicContact CD1-CD1 4.39Å; Y142-L177 HydrophobicContact CD2-CD1 4.3Å; Y142-L177 HydrophobicContact CE1-CD1 4.38Å; Y142-L177 HydrophobicContact CE2-CB 4.16Å; Y142-L177 HydrophobicContact CE2-CD1 4.29Å; Y142-L177 HydrophobicContact CG-CD1 4.39Å; Y142-G178 PolarHBondContact OH-O 3.21Å; Y142-K180 HydrophobicContact CD1-CD 4.11Å; Y142-K180 HydrophobicContact CD1-CG 3.83Å; Y142-K180 HydrophobicContact CD2-CB 4.25Å; Y142-K180 HydrophobicContact CD2-CD 4.45Å; Y142-K180 HydrophobicContact CD2-CG 3.43Å; Y142-K180 VanDerWaalsContact CD2-CG 3.43Å; Y142-K180 HydrophobicContact CE1-CD 4.16Å; Y142-K180 HydrophobicContact CE1-CG 3.7Å; Y142-K180 HydrophobicContact CE2-CB 4.07Å; Y142-K180 HydrophobicContact CE2-CD 4.49Å; Y142-K180 HydrophobicContact CE2-CG 3.28Å; Y142-K180 HydrophobicContact CG-CD 4.21Å; Y142-K180 HydrophobicContact CG-CG 3.65Å; Y142-D184 HydrophobicContact CD2-CB 4.18Å |
| 143 | H | 89.6 | Confident | 92 | Very high | 62 Ų | 62 | 51.8 Ų | 51.8 | 29% | 0.287 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -82.6 | -9.3 | 168.4 | -57.1 | 96.5 | 0 | 0 | 0 | 113.5 | E140 R141 A183 E186 K188 | E140-H143 HydrophobicContact CB-CB 4.46Å; E140-H143 VanDerWaalsContact O-CB 3.27Å; E140-H143 WeakPolarHBondContact O-CB 3.42Å; E140-H143 PolarHBondContact O-N 3.39Å; E140-H143 PolarHBondContact O-ND1 3.29Å; R141-H143 VanDerWaalsContact C-N 3.26Å; R141-H143 PolarHBondContact O-N 3.03Å; H143-A183 PolarHBondContact CE1-O 2.95Å; H143-E186 PolarHBondContact NE2-O 3.06Å; H143-K188 HydrophobicContact CB-CD 4.35Å; H143-K188 PolarHBondContact O-NZ 2.98Å |
| 144 | F | 92.7 | Very high | 91.9 | Very high | 8 Ų | 8 | 56.2 Ų | 56.2 | 4% | 0.035 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -64.8 | 143.2 | 174.1 | -178.4 | -92.1 | 0 | 0 | 0 | 110.4 | H133 Q136 L137 E140 R141 Y142 M146 L148 L149 | H133-F144 HydrophobicContact CB-CE2 4.1Å; H133-F144 HydrophobicContact CB-CZ 3.8Å; H133-F144 AromaticContact CG-CZ 3.79Å; Q136-F144 HydrophobicContact CB-CD2 4.42Å; Q136-F144 HydrophobicContact CB-CE2 4.3Å; Q136-F144 HydrophobicContact CG-CD2 3.99Å; Q136-F144 HydrophobicContact CG-CE2 4.1Å; L137-F144 HydrophobicContact CD2-CB 3.93Å; L137-F144 HydrophobicContact CD2-CD1 3.45Å; L137-F144 VanDerWaalsContact CD2-CD1 3.45Å; L137-F144 HydrophobicContact CD2-CD2 4.31Å; L137-F144 HydrophobicContact CD2-CE1 4.01Å; L137-F144 HydrophobicContact CD2-CG 3.62Å; L137-F144 HydrophobicContact CG-CD1 4.1Å; L137-F144 HydrophobicContact CG-CD2 4.32Å; L137-F144 HydrophobicContact CG-CE1 4.28Å; L137-F144 HydrophobicContact CG-CE2 4.47Å; L137-F144 HydrophobicContact CG-CG 4.12Å; L137-F144 HydrophobicContact CG-CZ 4.46Å; E140-F144 HydrophobicContact CB-CB 4.1Å; R141-F144 WeakPolarHBondContact O-CB 3.23Å; R141-F144 PolarHBondContact O-N 3.45Å; Y142-F144 VanDerWaalsContact C-N 3.3Å; F144-M146 HydrophobicContact CB-CE 3.9Å; F144-M146 HydrophobicContact CD1-CE 4.15Å; F144-M146 HydrophobicContact CD1-SD 3.86Å; F144-M146 PolarHBondContact O-N 2.93Å; F144-L148 HydrophobicContact CE1-CB 4.28Å; F144-L148 HydrophobicContact CE1-CD1 4.32Å; F144-L148 HydrophobicContact CE2-CD1 4.31Å; F144-L148 HydrophobicContact CZ-CB 4.23Å; F144-L148 HydrophobicContact CZ-CD1 3.81Å; F144-L149 HydrophobicContact CE1-CD1 4.36Å; F144-L149 HydrophobicContact CE1-CD2 4.19Å; F144-L149 HydrophobicContact CE1-CG 3.97Å |
| 145 | N | 92.7 | Very high | 91.9 | Very high | 105 Ų | 105 | 56.7 Ų | 56.7 | 56% | 0.561 | 32% | 0.316 | S | S | * | . | trans | -76.4 | 91.2 | 176.9 | 179 | 12.9 | 0 | 0 | 0 | 110.8 | G147 L148 | N145-G147 PolarHBondContact O-N 3.23Å; N145-G147 PolarHBondContact OD1-N 3.42Å; N145-L148 HydrophobicContact CB-CD1 4.04Å; N145-L148 WeakPolarHBondContact O-CB 3.49Å; N145-L148 PolarHBondContact O-N 3.49Å | ||
| 146 | M | 91.9 | Very high | 91.9 | Very high | 35 Ų | 35 | 57 Ų | 57 | 17% | 0.172 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -17.5 | 177.7 | -55.4 | -56.9 | 161.8 | 0 | 0 | 113.6 | L137 R141 Y142 F144 L148 L149 M150 V173 | L137-M146 HydrophobicContact CD2-CE 3.98Å; L137-M146 HydrophobicContact CD2-SD 4.13Å; R141-M146 WeakPolarHBondContact O-CE 3.49Å; Y142-M146 HydrophobicContact CD1-CE 4.42Å; F144-M146 HydrophobicContact CB-CE 3.9Å; F144-M146 HydrophobicContact CD1-CE 4.15Å; F144-M146 HydrophobicContact CD1-SD 3.86Å; F144-M146 PolarHBondContact O-N 2.93Å; M146-L148 PolarHBondContact O-N 2.94Å; M146-L149 PolarHBondContact O-N 2.72Å; M146-L149 HydrophobicContact SD-CD1 3.99Å; M146-M150 PolarHBondContact O-N 2.84Å; M146-V173 HydrophobicContact CE-CG1 3.87Å; M146-V173 HydrophobicContact SD-CG1 4.07Å; M146-V173 HydrophobicContact SD-CG2 3.99Å |
| 147 | G | 91.1 | Very high | 91.9 | Very high | 39 Ų | 39 | 53.8 Ų | 53.8 | 40% | 0.402 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.2 | -25.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | N145 G151 | N145-G147 PolarHBondContact O-N 3.23Å; N145-G147 PolarHBondContact OD1-N 3.42Å; G147-G151 PolarHBondContact O-N 3.21Å |
| 148 | L | 93 | Very high | 91.9 | Very high | 72 Ų | 72 | 59.5 Ų | 59.5 | 38% | 0.377 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.7 | -48.8 | 173.4 | -74.7 | 155.9 | 0 | 0 | 0 | 111.1 | F144 N145 M146 M150 G151 E152 | F144-L148 HydrophobicContact CE1-CB 4.28Å; F144-L148 HydrophobicContact CE1-CD1 4.32Å; F144-L148 HydrophobicContact CE2-CD1 4.31Å; F144-L148 HydrophobicContact CZ-CB 4.23Å; F144-L148 HydrophobicContact CZ-CD1 3.81Å; N145-L148 HydrophobicContact CB-CD1 4.04Å; N145-L148 WeakPolarHBondContact O-CB 3.49Å; N145-L148 PolarHBondContact O-N 3.49Å; M146-L148 PolarHBondContact O-N 2.94Å; L148-M150 VanDerWaalsContact C-N 3.35Å; L148-M150 PolarHBondContact O-N 3.36Å; L148-G151 PolarHBondContact O-N 3.28Å; L148-G151 VanDerWaalsContact O-N 3.14Å; L148-E152 WeakPolarHBondContact O-CG 3.41Å; L148-E152 PolarHBondContact O-N 2.9Å |
| 149 | L | 93.8 | Very high | 92 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.4 | -46.5 | 179.1 | -54.7 | 177.4 | 0 | 0 | 0 | 110.9 | A129 I130 H133 L137 F144 M146 G151 E152 A153 V169 V173 | A129-L149 HydrophobicContact CB-CD2 4.06Å; I130-L149 HydrophobicContact CG1-CD1 4.03Å; I130-L149 HydrophobicContact CG1-CD2 4.29Å; H133-L149 HydrophobicContact CB-CD2 4.4Å; L137-L149 HydrophobicContact CD1-CD1 4.25Å; L137-L149 HydrophobicContact CD1-CD2 4.26Å; L137-L149 HydrophobicContact CD2-CD1 4.36Å; F144-L149 HydrophobicContact CE1-CD1 4.36Å; F144-L149 HydrophobicContact CE1-CD2 4.19Å; F144-L149 HydrophobicContact CE1-CG 3.97Å; M146-L149 PolarHBondContact O-N 2.72Å; M146-L149 HydrophobicContact SD-CD1 3.99Å; L149-G151 VanDerWaalsContact C-N 3.32Å; L149-G151 PolarHBondContact O-N 2.86Å; L149-E152 PolarHBondContact O-N 3.1Å; L149-A153 WeakPolarHBondContact O-CB 3.48Å; L149-A153 PolarHBondContact O-N 2.98Å; L149-V169 HydrophobicContact CB-CG1 3.99Å; L149-V169 HydrophobicContact CB-CG2 4.16Å; L149-V169 HydrophobicContact CD1-CG1 3.86Å; L149-V173 HydrophobicContact CD1-CG2 3.66Å |
| 150 | M | 93.4 | Very high | 92 | Very high | 32 Ų | 32 | 51.4 Ų | 51.4 | 16% | 0.158 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.7 | -37.6 | 176.5 | -65.3 | 176.6 | 61.7 | 0 | 0 | 112.3 | M146 L148 R154 K166 V169 | M146-M150 PolarHBondContact O-N 2.84Å; L148-M150 VanDerWaalsContact C-N 3.35Å; L148-M150 PolarHBondContact O-N 3.36Å; M150-R154 WeakPolarHBondContact O-CB 3.4Å; M150-R154 WeakPolarHBondContact O-CG 3.4Å; M150-R154 PolarHBondContact O-N 3.47Å; M150-K166 HydrophobicContact CE-CB 3.84Å; M150-K166 HydrophobicContact CE-CD 4.32Å; M150-K166 HydrophobicContact CE-CG 4.25Å; M150-K166 HydrophobicContact SD-CB 4.39Å; M150-K166 HydrophobicContact SD-CG 4.35Å; M150-V169 HydrophobicContact CG-CB 4.47Å; M150-V169 HydrophobicContact CG-CG1 4.46Å; M150-V169 HydrophobicContact CG-CG2 4.11Å |
| 151 | G | 91.4 | Very high | 91.9 | Very high | 39 Ų | 39 | 52.6 Ų | 52.6 | 40% | 0.402 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -66.5 | -45 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | G147 L148 L149 R154 A155 | G147-G151 PolarHBondContact O-N 3.21Å; L148-G151 PolarHBondContact O-N 3.28Å; L148-G151 VanDerWaalsContact O-N 3.14Å; L149-G151 VanDerWaalsContact C-N 3.32Å; L149-G151 PolarHBondContact O-N 2.86Å; G151-R154 PolarHBondContact O-N 3.21Å; G151-A155 PolarHBondContact O-N 3.4Å |
| 152 | E | 93.5 | Very high | 91.8 | Very high | 42 Ų | 42 | 50.8 Ų | 50.8 | 20% | 0.196 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.3 | -44.5 | 177.2 | -70.2 | -175.6 | -154.7 | 0 | 0 | 111.9 | A129 R132 H133 L148 L149 R154 A155 V156 | A129-E152 HydrophobicContact CB-CB 4.11Å; R132-E152 WeakPolarHBondContact CD-OE2 3.45Å; R132-E152 IonicContact CZ-OE2 3.21Å; R132-E152 IonicContact NE-OE2 3.33Å; R132-E152 IonicContact NH1-OE2 2.65Å; R132-E152 PolarHBondContact NH1-OE2 2.71Å; H133-E152 IonicContact CD2-OE1 3.3Å; H133-E152 IonicContact CE1-OE1 3.22Å; H133-E152 IonicContact NE2-OE1 2.71Å; H133-E152 PolarHBondContact NE2-OE1 2.95Å; H133-E152 IonicContact NE2-OE2 3.6Å; L148-E152 WeakPolarHBondContact O-CG 3.41Å; L148-E152 PolarHBondContact O-N 2.9Å; L149-E152 PolarHBondContact O-N 3.1Å; E152-R154 VanDerWaalsContact C-N 3.31Å; E152-R154 PolarHBondContact O-N 2.76Å; E152-A155 WeakPolarHBondContact O-CB 3.48Å; E152-A155 PolarHBondContact O-N 3.11Å; E152-A155 VanDerWaalsContact O-N 3.08Å; E152-V156 PolarHBondContact O-N 3.03Å |
| 153 | A | 92.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.7 | -40.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V126 L149 A155 V156 L157 I165 | V126-A153 HydrophobicContact CG2-CB 4.05Å; L149-A153 WeakPolarHBondContact O-CB 3.48Å; L149-A153 PolarHBondContact O-N 2.98Å; A153-A155 VanDerWaalsContact C-N 3.33Å; A153-A155 PolarHBondContact O-N 2.79Å; A153-V156 PolarHBondContact O-N 3.03Å; A153-L157 WeakPolarHBondContact O-CB 3.42Å; A153-L157 PolarHBondContact O-N 3.07Å; A153-I165 HydrophobicContact CB-CG2 3.7Å |
| 154 | R | 90.9 | Very high | 91.7 | Very high | 123 Ų | 123 | 56.6 Ų | 56.6 | 46% | 0.464 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -66.1 | -32.4 | 173.7 | -77 | 175.5 | -162.7 | -146.8 | 1.9 | 113.3 | M150 G151 E152 V156 L157 I165 | M150-R154 WeakPolarHBondContact O-CB 3.4Å; M150-R154 WeakPolarHBondContact O-CG 3.4Å; M150-R154 PolarHBondContact O-N 3.47Å; G151-R154 PolarHBondContact O-N 3.21Å; E152-R154 VanDerWaalsContact C-N 3.31Å; E152-R154 PolarHBondContact O-N 2.76Å; R154-V156 VanDerWaalsContact C-N 3.28Å; R154-L157 CarbonylContact O-C 3.56Å; R154-L157 PolarHBondContact O-N 3.05Å; R154-I165 HydrophobicContact CB-CD1 4.46Å; R154-I165 HydrophobicContact CG-CD1 3.56Å |
| 155 | A | 92.1 | Very high | 91.6 | Very high | 84 Ų | 84 | 56.2 Ų | 56.2 | 69% | 0.694 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -66.7 | -33.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | G151 E152 A153 | G151-A155 PolarHBondContact O-N 3.4Å; E152-A155 WeakPolarHBondContact O-CB 3.48Å; E152-A155 PolarHBondContact O-N 3.11Å; E152-A155 VanDerWaalsContact O-N 3.08Å; A153-A155 VanDerWaalsContact C-N 3.33Å; A153-A155 PolarHBondContact O-N 2.79Å |
| 156 | V | 93.2 | Very high | 91.6 | Very high | 105 Ų | 105 | 55.2 Ų | 55.2 | 64% | 0.636 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -77.4 | -44.3 | 173.3 | -177.1 | 0 | 0 | 0 | 0 | 111.1 | A125 E152 A153 R154 | A125-V156 HydrophobicContact CB-CB 4.37Å; A125-V156 HydrophobicContact CB-CG1 4.34Å; E152-V156 PolarHBondContact O-N 3.03Å; A153-V156 PolarHBondContact O-N 3.03Å; R154-V156 VanDerWaalsContact C-N 3.28Å |
| 157 | L | 93 | Very high | 91.5 | Very high | 19 Ų | 19 | 57.3 Ų | 57.3 | 10% | 0.099 | 31% | 0.312 | C | S | . | . | trans | -110.6 | 75.1 | -172.3 | -56.5 | 175.6 | 0 | 0 | 0 | 111.7 | V117 Q121 I122 A125 A153 R154 W159 A160 | V117-L157 HydrophobicContact CG1-CD1 4.22Å; V117-L157 HydrophobicContact CG1-CD2 4.2Å; Q121-L157 HydrophobicContact CB-CD2 4.2Å; I122-L157 HydrophobicContact CB-CD1 4.15Å; I122-L157 HydrophobicContact CG1-CD1 3.7Å; A125-L157 HydrophobicContact CB-CD1 3.73Å; A125-L157 HydrophobicContact CB-CG 4.06Å; A153-L157 WeakPolarHBondContact O-CB 3.42Å; A153-L157 PolarHBondContact O-N 3.07Å; R154-L157 CarbonylContact O-C 3.56Å; R154-L157 PolarHBondContact O-N 3.05Å; L157-W159 PolarHBondContact O-N 2.9Å; L157-W159 VanDerWaalsContact O-N 3.11Å; L157-A160 HydrophobicContact CB-CB 3.71Å; L157-A160 HydrophobicContact CD1-CB 4.42Å; L157-A160 PolarHBondContact O-N 2.93Å | ||
| 158 | K | 91.4 | Very high | 91.6 | Very high | 121 Ų | 121 | 57.9 Ų | 57.9 | 53% | 0.526 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | -37.4 | -176 | -172.5 | -179.8 | 176.8 | -168.7 | 0 | 113.9 | P85 | P85-K158 WeakPolarHBondContact CB-O 3.18Š|
| 159 | W | 92.6 | Very high | 91.6 | Very high | 38 Ų | 38 | 54.4 Ų | 54.4 | 14% | 0.144 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | 2.2 | -172.4 | -50.8 | 119.6 | 0 | 0 | 0 | 114.7 | P85 Q86 A89 E110 C111 V115 V117 L157 | P85-W159 HydrophobicContact CB-CE3 4.19Å; Q86-W159 HydrophobicContact CG-CE3 3.88Å; Q86-W159 HydrophobicContact CG-CZ3 4.41Å; A89-W159 HydrophobicContact CB-CH2 3.59Å; A89-W159 HydrophobicContact CB-CZ3 3.58Å; E110-W159 WeakPolarHBondContact O-CH2 3.27Å; E110-W159 WeakPolarHBondContact O-CZ2 3.42Å; C111-W159 WeakPolarHBondContact O-CZ3 3.19Å; V115-W159 HydrophobicContact CG1-CG 4.42Å; V117-W159 HydrophobicContact CG2-CB 4.33Å; L157-W159 PolarHBondContact O-N 2.9Å; L157-W159 VanDerWaalsContact O-N 3.11Å |
| 160 | A | 89.9 | Confident | 91.5 | Very high | 5 Ų | 5 | 57.8 Ų | 57.8 | 4% | 0.041 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -71.2 | 149 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | V117 I122 L157 G162 I165 | V117-A160 HydrophobicContact CB-CB 4.37Å; V117-A160 HydrophobicContact CG1-CB 4.07Å; V117-A160 HydrophobicContact CG2-CB 4.29Å; I122-A160 HydrophobicContact CD1-CB 4.44Å; L157-A160 HydrophobicContact CB-CB 3.71Å; L157-A160 HydrophobicContact CD1-CB 4.42Å; L157-A160 PolarHBondContact O-N 2.93Å; A160-G162 PolarHBondContact O-N 2.89Å; A160-I165 HydrophobicContact CB-CD1 3.85Å; A160-I165 HydrophobicContact CB-CG1 4.1Å |
| 161 | D | 89.4 | Confident | 91.3 | Very high | 76 Ų | 76 | 58.1 Ų | 58.1 | 41% | 0.406 | 31% | 0.306 | S | S | . | . | trans | -65.8 | 121.5 | 170.4 | 177.9 | 8 | 0 | 0 | 0 | 110 | K163 M164 I165 | D161-K163 PolarHBondContact O-N 2.91Å; D161-K163 PolarHBondContact OD1-N 2.93Å; D161-M164 HydrophobicContact CB-CB 4.16Å; D161-M164 HydrophobicContact CB-CG 3.84Å; D161-M164 WeakPolarHBondContact O-CB 3.34Å; D161-M164 PolarHBondContact O-N 2.91Å; D161-I165 PolarHBondContact O-N 3Å; D161-I165 VanDerWaalsContact O-N 3.08Å | ||
| 162 | G | 88.9 | Confident | 91.3 | Very high | 18 Ų | 18 | 57.6 Ų | 57.6 | 19% | 0.186 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.7 | -24.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | A160 K166 | A160-G162 PolarHBondContact O-N 2.89Å; G162-K166 WeakPolarHBondContact O-CB 3.49Å; G162-K166 PolarHBondContact O-N 3.14Å; G162-K166 VanDerWaalsContact O-N 3.09Å |
| 163 | K | 89 | Confident | 91.3 | Very high | 141 Ų | 141 | 55.8 Ų | 55.8 | 61% | 0.613 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -72.8 | -39.8 | 173.4 | -170.5 | -179.8 | 179.2 | -174.5 | 0 | 111.4 | D161 K166 N167 | D161-K163 PolarHBondContact O-N 2.91Å; D161-K163 PolarHBondContact OD1-N 2.93Å; K163-K166 PolarHBondContact O-N 2.87Å; K163-N167 PolarHBondContact O-N 2.85Å; K163-N167 PolarHBondContact O-ND2 3.46Å; K163-N167 PolarHBondContact O-OD1 3.04Å |
| 164 | M | 88.7 | Confident | 91.2 | Very high | 86 Ų | 86 | 56.6 Ų | 56.6 | 42% | 0.424 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.4 | -47 | 175.8 | -67.2 | -64.9 | -68.3 | 0 | 0 | 111.1 | I122 D161 K166 N167 E168 | I122-M164 HydrophobicContact CD1-CB 3.79Å; D161-M164 HydrophobicContact CB-CB 4.16Å; D161-M164 HydrophobicContact CB-CG 3.84Å; D161-M164 WeakPolarHBondContact O-CB 3.34Å; D161-M164 PolarHBondContact O-N 2.91Å; M164-K166 VanDerWaalsContact C-N 3.3Å; M164-K166 PolarHBondContact O-N 2.75Å; M164-N167 PolarHBondContact O-N 3Å; M164-E168 PolarHBondContact O-N 3.29Å |
| 165 | I | 92 | Very high | 91.1 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -56.6 | -46.3 | 173.5 | -63.4 | 174.3 | 0 | 0 | 0 | 110.7 | I122 V126 A153 R154 A160 D161 N167 E168 V169 | I122-I165 HydrophobicContact CG2-CG1 4.15Å; V126-I165 HydrophobicContact CG2-CG2 4.49Å; A153-I165 HydrophobicContact CB-CG2 3.7Å; R154-I165 HydrophobicContact CB-CD1 4.46Å; R154-I165 HydrophobicContact CG-CD1 3.56Å; A160-I165 HydrophobicContact CB-CD1 3.85Å; A160-I165 HydrophobicContact CB-CG1 4.1Å; D161-I165 PolarHBondContact O-N 3Å; D161-I165 VanDerWaalsContact O-N 3.08Å; I165-N167 PolarHBondContact O-N 2.94Å; I165-E168 PolarHBondContact O-N 2.96Å; I165-V169 HydrophobicContact CG2-CG2 4.24Å; I165-V169 VanDerWaalsContact O-CG2 3.3Å; I165-V169 WeakPolarHBondContact O-CG2 3.41Å; I165-V169 PolarHBondContact O-N 2.83Å |
| 166 | K | 92.6 | Very high | 91 | Very high | 85 Ų | 85 | 51.9 Ų | 51.9 | 37% | 0.37 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -59.8 | -47.6 | -179.7 | 176.2 | 167.1 | 172.4 | 43.8 | 0 | 111.8 | M150 G162 K163 M164 E168 V169 D170 | M150-K166 HydrophobicContact CE-CB 3.84Å; M150-K166 HydrophobicContact CE-CD 4.32Å; M150-K166 HydrophobicContact CE-CG 4.25Å; M150-K166 HydrophobicContact SD-CB 4.39Å; M150-K166 HydrophobicContact SD-CG 4.35Å; G162-K166 WeakPolarHBondContact O-CB 3.49Å; G162-K166 PolarHBondContact O-N 3.14Å; G162-K166 VanDerWaalsContact O-N 3.09Å; K163-K166 PolarHBondContact O-N 2.87Å; M164-K166 VanDerWaalsContact C-N 3.3Å; M164-K166 PolarHBondContact O-N 2.75Å; K166-E168 VanDerWaalsContact C-N 3.29Å; K166-E168 PolarHBondContact O-N 2.77Å; K166-V169 PolarHBondContact O-N 3.35Å; K166-D170 WeakPolarHBondContact CE-OD2 3.31Å; K166-D170 WeakPolarHBondContact CG-OD2 3.45Å; K166-D170 IonicContact NZ-OD1 3.62Å; K166-D170 PolarHBondContact NZ-OD1 2.88Å; K166-D170 VanDerWaalsContact NZ-OD1 3.16Å; K166-D170 IonicContact NZ-OD2 3.75Å; K166-D170 PolarHBondContact NZ-OD2 3.12Å; K166-D170 WeakPolarHBondContact O-CB 3.4Å; K166-D170 PolarHBondContact O-N 2.97Å |
| 167 | N | 89.8 | Confident | 90.9 | Very high | 79 Ų | 79 | 47.7 Ų | 47.7 | 42% | 0.422 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.3 | -41.3 | -179.3 | -67.1 | -17.5 | 0 | 0 | 0 | 111.2 | K163 M164 I165 D170 M171 | K163-N167 PolarHBondContact O-N 2.85Å; K163-N167 PolarHBondContact O-ND2 3.46Å; K163-N167 PolarHBondContact O-OD1 3.04Å; M164-N167 PolarHBondContact O-N 3Å; I165-N167 PolarHBondContact O-N 2.94Å; N167-D170 PolarHBondContact O-N 3.37Å; N167-M171 WeakPolarHBondContact O-CB 3.29Å; N167-M171 PolarHBondContact O-N 3.16Å |
| 168 | E | 93 | Very high | 90.6 | Very high | 50 Ų | 50 | 47.9 Ų | 47.9 | 23% | 0.234 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.8 | -45 | 178.6 | -170.8 | 56.2 | -146.4 | 0 | 0 | 112 | I122 V126 M164 I165 K166 D170 M171 Q172 | I122-E168 HydrophobicContact CG2-CB 3.85Å; I122-E168 HydrophobicContact CG2-CG 4.04Å; V126-E168 HydrophobicContact CB-CG 4.08Å; V126-E168 HydrophobicContact CG1-CG 4.31Å; V126-E168 HydrophobicContact CG2-CB 4.2Å; V126-E168 HydrophobicContact CG2-CG 3.99Å; M164-E168 PolarHBondContact O-N 3.29Å; I165-E168 PolarHBondContact O-N 2.96Å; K166-E168 VanDerWaalsContact C-N 3.29Å; K166-E168 PolarHBondContact O-N 2.77Å; E168-D170 PolarHBondContact O-N 2.87Å; E168-M171 PolarHBondContact O-N 3.26Å; E168-Q172 PolarHBondContact O-N 3.37Å; E168-Q172 WeakPolarHBondContact OE1-CG 3.28Å; E168-Q172 PolarHBondContact OE1-NE2 2.88Å |
| 169 | V | 93.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57.2 | -50.5 | 172.7 | 170.6 | 0 | 0 | 0 | 0 | 110.8 | V126 L149 M150 I165 K166 M171 V173 | V126-V169 HydrophobicContact CB-CG2 4.39Å; V126-V169 HydrophobicContact CG1-CB 4.34Å; V126-V169 HydrophobicContact CG1-CG2 3.77Å; V126-V169 HydrophobicContact CG2-CG2 3.68Å; L149-V169 HydrophobicContact CB-CG1 3.99Å; L149-V169 HydrophobicContact CB-CG2 4.16Å; L149-V169 HydrophobicContact CD1-CG1 3.86Å; M150-V169 HydrophobicContact CG-CB 4.47Å; M150-V169 HydrophobicContact CG-CG1 4.46Å; M150-V169 HydrophobicContact CG-CG2 4.11Å; I165-V169 HydrophobicContact CG2-CG2 4.24Å; I165-V169 VanDerWaalsContact O-CG2 3.3Å; I165-V169 WeakPolarHBondContact O-CG2 3.41Å; I165-V169 PolarHBondContact O-N 2.83Å; K166-V169 PolarHBondContact O-N 3.35Å; V169-M171 PolarHBondContact O-N 3.44Å; V169-V173 HydrophobicContact CG1-CG2 4.14Å; V169-V173 WeakPolarHBondContact O-CB 3.29Å; V169-V173 WeakPolarHBondContact O-CG2 3.39Å; V169-V173 PolarHBondContact O-N 3.31Å |
| 170 | D | 91 | Very high | 90 | Very high | 71 Ų | 71 | 48.2 Ų | 48.2 | 38% | 0.38 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -59.2 | -36.3 | -179 | -71.1 | -25.1 | 0 | 0 | 0 | 110.8 | K166 N167 E168 L174 | K166-D170 WeakPolarHBondContact CE-OD2 3.31Å; K166-D170 WeakPolarHBondContact CG-OD2 3.45Å; K166-D170 IonicContact NZ-OD1 3.62Å; K166-D170 PolarHBondContact NZ-OD1 2.88Å; K166-D170 VanDerWaalsContact NZ-OD1 3.16Å; K166-D170 IonicContact NZ-OD2 3.75Å; K166-D170 PolarHBondContact NZ-OD2 3.12Å; K166-D170 WeakPolarHBondContact O-CB 3.4Å; K166-D170 PolarHBondContact O-N 2.97Å; N167-D170 PolarHBondContact O-N 3.37Å; E168-D170 PolarHBondContact O-N 2.87Å; D170-L174 WeakPolarHBondContact O-CB 3.49Å; D170-L174 PolarHBondContact O-N 3.38Å; D170-L174 VanDerWaalsContact O-N 3.14Å |
| 171 | M | 88.4 | Confident | 89.6 | Confident | 39 Ų | 39 | 52.3 Ų | 52.3 | 19% | 0.192 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -74.7 | -51.6 | -179.9 | -165.4 | 59.2 | 60.2 | 0 | 0 | 113.2 | N167 E168 V169 V173 L174 H175 Q263 | N167-M171 WeakPolarHBondContact O-CB 3.29Å; N167-M171 PolarHBondContact O-N 3.16Å; E168-M171 PolarHBondContact O-N 3.26Å; V169-M171 PolarHBondContact O-N 3.44Å; M171-V173 VanDerWaalsContact C-N 3.31Å; M171-V173 PolarHBondContact O-N 3.2Å; M171-L174 WeakPolarHBondContact O-CB 3.33Å; M171-L174 PolarHBondContact O-N 3.16Å; M171-L174 VanDerWaalsContact O-N 3.11Å; M171-L174 HydrophobicContact SD-CD2 4.45Å; M171-H175 PolarHBondContact O-CD2 2.83Å; M171-H175 PolarHBondContact O-N 3.44Å; M171-Q263 HydrophobicContact CE-CB 4.17Å; M171-Q263 HydrophobicContact SD-CB 4.11Å; M171-Q263 HydrophobicContact SD-CG 4.42Å |
| 172 | Q | 91.8 | Very high | 88.8 | Confident | 27 Ų | 27 | 56.9 Ų | 56.9 | 13% | 0.126 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.6 | -35.3 | 179.5 | -67.9 | -169.7 | 22.5 | 0 | 0 | 112.1 | E123 V126 E127 I130 E168 L174 H175 L176 | E123-Q172 PolarHBondContact O-NE2 3.44Å; V126-Q172 HydrophobicContact CG1-CB 4.3Å; V126-Q172 HydrophobicContact CG1-CG 4.28Å; E127-Q172 VanDerWaalsContact CA-OE1 3.27Å; I130-Q172 HydrophobicContact CD1-CB 3.36Å; I130-Q172 HydrophobicContact CD1-CG 4.46Å; E168-Q172 PolarHBondContact O-N 3.37Å; E168-Q172 WeakPolarHBondContact OE1-CG 3.28Å; E168-Q172 PolarHBondContact OE1-NE2 2.88Å; Q172-L174 VanDerWaalsContact C-N 3.33Å; Q172-H175 PolarHBondContact O-N 2.9Å; Q172-L176 WeakPolarHBondContact O-CB 3.41Å; Q172-L176 PolarHBondContact O-N 2.81Å |
| 173 | V | 93 | Very high | 88.1 | Confident | 4 Ų | 4 | 58.9 Ų | 58.9 | 2% | 0.024 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.2 | -40.4 | 172.5 | 171 | 0 | 0 | 0 | 0 | 110.8 | I130 Y142 M146 L149 V169 M171 H175 L176 L177 | I130-V173 HydrophobicContact CD1-CG2 4.06Å; Y142-V173 HydrophobicContact CE1-CG1 4.07Å; M146-V173 HydrophobicContact CE-CG1 3.87Å; M146-V173 HydrophobicContact SD-CG1 4.07Å; M146-V173 HydrophobicContact SD-CG2 3.99Å; L149-V173 HydrophobicContact CD1-CG2 3.66Å; V169-V173 HydrophobicContact CG1-CG2 4.14Å; V169-V173 WeakPolarHBondContact O-CB 3.29Å; V169-V173 WeakPolarHBondContact O-CG2 3.39Å; V169-V173 PolarHBondContact O-N 3.31Å; M171-V173 VanDerWaalsContact C-N 3.31Å; M171-V173 PolarHBondContact O-N 3.2Å; V173-H175 VanDerWaalsContact C-N 3.34Å; V173-L176 PolarHBondContact O-N 2.86Å; V173-L177 HydrophobicContact CG1-CD1 3.61Å; V173-L177 HydrophobicContact CG1-CG 4.09Å; V173-L177 WeakPolarHBondContact O-CB 3.38Å; V173-L177 WeakPolarHBondContact O-CG 3.22Å; V173-L177 PolarHBondContact O-N 2.93Å |
| 174 | L | 91.3 | Very high | 87.5 | Confident | 18 Ų | 18 | 53.2 Ų | 53.2 | 9% | 0.094 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.8 | -40.5 | 173.7 | 178.4 | 65.6 | 0 | 0 | 0 | 111.7 | Y142 D170 M171 Q172 G178 | Y142-L174 WeakPolarHBondContact OH-CD1 3.28Å; D170-L174 WeakPolarHBondContact O-CB 3.49Å; D170-L174 PolarHBondContact O-N 3.38Å; D170-L174 VanDerWaalsContact O-N 3.14Å; M171-L174 WeakPolarHBondContact O-CB 3.33Å; M171-L174 PolarHBondContact O-N 3.16Å; M171-L174 VanDerWaalsContact O-N 3.11Å; M171-L174 HydrophobicContact SD-CD2 4.45Å; Q172-L174 VanDerWaalsContact C-N 3.33Å; L174-G178 VanDerWaalsContact O-CA 3.27Å; L174-G178 WeakPolarHBondContact O-CA 3.46Å; L174-G178 PolarHBondContact O-N 2.84Å |
| 175 | H | 88 | Confident | 86.8 | Confident | 54 Ų | 54 | 55.1 Ų | 55.1 | 25% | 0.25 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.3 | -40.6 | 176 | -68.2 | 174.6 | 0 | 0 | 0 | 112.6 | M171 Q172 V173 Q263 Y330 | M171-H175 PolarHBondContact O-CD2 2.83Å; M171-H175 PolarHBondContact O-N 3.44Å; Q172-H175 PolarHBondContact O-N 2.9Å; V173-H175 VanDerWaalsContact C-N 3.34Å; H175-Q263 PolarHBondContact CE1-OE1 3.43Å; H175-Q263 PolarHBondContact NE2-OE1 3.28Å; H175-Y330 AromaticContact CE1-CE2 3.9Å; H175-Y330 AromaticContact ND1-CE2 3.5Å; H175-Y330 WeakPolarHBondContact ND1-CE2 3.36Å; H175-Y330 AromaticContact ND1-CZ 3.98Å |
| 176 | L | 91.6 | Very high | 85.7 | Confident | 54 Ų | 54 | 61.8 Ų | 61.8 | 28% | 0.283 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -72.2 | -48.3 | 179.4 | 178.7 | 65 | 0 | 0 | 0 | 112.3 | I130 Q134 L137 L138 Q172 V173 | I130-L176 HydrophobicContact CG2-CD2 3.73Å; Q134-L176 HydrophobicContact CG-CD2 4.39Å; L137-L176 HydrophobicContact CB-CD2 4.29Å; L137-L176 HydrophobicContact CD1-CD2 4.34Å; L138-L176 HydrophobicContact CD2-CD1 4.01Å; L138-L176 HydrophobicContact CD2-CG 4.13Å; Q172-L176 WeakPolarHBondContact O-CB 3.41Å; Q172-L176 PolarHBondContact O-N 2.81Å; V173-L176 PolarHBondContact O-N 2.86Å |
| 177 | L | 90.9 | Very high | 84.1 | Confident | 16 Ų | 16 | 65.6 Ų | 65.6 | 8% | 0.084 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -90.3 | -21.2 | -171.4 | -59.7 | -174.9 | 0 | 0 | 0 | 113.3 | L137 L138 R141 Y142 V173 | L137-L177 WeakPolarHBondContact O-CD2 3.38Å; L138-L177 HydrophobicContact CD2-CD2 4.27Å; R141-L177 HydrophobicContact CB-CD1 4.23Å; R141-L177 PolarHBondContact NH2-O 2.93Å; Y142-L177 HydrophobicContact CD1-CD1 4.39Å; Y142-L177 HydrophobicContact CD2-CD1 4.3Å; Y142-L177 HydrophobicContact CE1-CD1 4.38Å; Y142-L177 HydrophobicContact CE2-CB 4.16Å; Y142-L177 HydrophobicContact CE2-CD1 4.29Å; Y142-L177 HydrophobicContact CG-CD1 4.39Å; V173-L177 HydrophobicContact CG1-CD1 3.61Å; V173-L177 HydrophobicContact CG1-CG 4.09Å; V173-L177 WeakPolarHBondContact O-CB 3.38Å; V173-L177 WeakPolarHBondContact O-CG 3.22Å; V173-L177 PolarHBondContact O-N 2.93Å |
| 178 | G | 86.2 | Confident | 82.3 | Confident | 23 Ų | 23 | 66.9 Ų | 66.9 | 24% | 0.237 | 34% | 0.338 | C | S | . | . | trans | 72.1 | -172.2 | -167.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y142 L174 | Y142-G178 PolarHBondContact OH-O 3.21Å; L174-G178 VanDerWaalsContact O-CA 3.27Å; L174-G178 WeakPolarHBondContact O-CA 3.46Å; L174-G178 PolarHBondContact O-N 2.84Å | ||
| 179 | P | 84.6 | Confident | 79.6 | Confident | 38 Ų | 38 | 70.9 Ų | 70.9 | 25% | 0.247 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -60.8 | 150.8 | -174.4 | 27.6 | -36.7 | 0 | 0 | 0 | 112.8 | R141 L181 I259 | R141-P179 PolarHBondContact NH2-O 2.79Å; R141-P179 VanDerWaalsContact NH2-O 3.14Å; P179-L181 PolarHBondContact O-N 2.95Å; P179-I259 HydrophobicContact CB-CG1 4.07Å; P179-I259 HydrophobicContact CG-CG1 3.95Å |
| 180 | K | 85.8 | Confident | 77 | Confident | 128 Ų | 128 | 78.8 Ų | 78.8 | 56% | 0.557 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -64.2 | 121.9 | 169.1 | -75.6 | -178.7 | 179.1 | 178.2 | 0 | 109.8 | Y142 | Y142-K180 HydrophobicContact CD1-CD 4.11Å; Y142-K180 HydrophobicContact CD1-CG 3.83Å; Y142-K180 HydrophobicContact CD2-CB 4.25Å; Y142-K180 HydrophobicContact CD2-CD 4.45Å; Y142-K180 HydrophobicContact CD2-CG 3.43Å; Y142-K180 VanDerWaalsContact CD2-CG 3.43Å; Y142-K180 HydrophobicContact CE1-CD 4.16Å; Y142-K180 HydrophobicContact CE1-CG 3.7Å; Y142-K180 HydrophobicContact CE2-CB 4.07Å; Y142-K180 HydrophobicContact CE2-CD 4.49Å; Y142-K180 HydrophobicContact CE2-CG 3.28Å; Y142-K180 HydrophobicContact CG-CD 4.21Å; Y142-K180 HydrophobicContact CG-CG 3.65Å |
| 181 | L | 82.6 | Confident | 74.6 | Confident | 91 Ų | 91 | 82.5 Ų | 82.5 | 48% | 0.476 | 43% | 0.428 | S | S | . | . | P | Polyproline II helix | trans | -94.9 | 166.7 | 176.2 | -55.3 | -178.2 | 0 | 0 | 0 | 110.6 | R141 P179 A183 D184 | R141-L181 VanDerWaalsContact NH1-CD1 3.32Å; P179-L181 PolarHBondContact O-N 2.95Å; L181-A183 VanDerWaalsContact C-N 3.26Å; L181-A183 PolarHBondContact O-N 3.32Å; L181-D184 PolarHBondContact N-OD2 3.41Å; L181-D184 VanDerWaalsContact O-CB 3.28Å; L181-D184 WeakPolarHBondContact O-CB 3.43Å; L181-D184 PolarHBondContact O-N 2.91Å |
| 182 | E | 73.1 | Confident | 71.9 | Confident | 172 Ų | 172 | 84.9 Ų | 84.9 | 80% | 0.804 | 45% | 0.453 | S | S | * | . | G | 310 helix | trans | -58.3 | -36.8 | 178.6 | -69.7 | -175.4 | 163.8 | 0 | 0 | 112.9 | D184 L185 | E182-D184 PolarHBondContact O-N 3.31Å; E182-L185 WeakPolarHBondContact O-CB 3.33Å; E182-L185 PolarHBondContact O-N 2.74Å |
| 183 | A | 73.7 | Confident | 69 | Low | 61 Ų | 61 | 93.8 Ų | 93.8 | 50% | 0.504 | 49% | 0.491 | S | S | . | . | G | 310 helix | trans | -62.1 | -24.1 | 175 | 0 | 0 | 0 | 0 | 0 | 113.4 | H143 L181 L185 | H143-A183 PolarHBondContact CE1-O 2.95Å; L181-A183 VanDerWaalsContact C-N 3.26Å; L181-A183 PolarHBondContact O-N 3.32Å; A183-L185 VanDerWaalsContact C-N 3.29Å |
| 184 | D | 77 | Confident | 66 | Low | 21 Ų | 21 | 98.5 Ų | 98.5 | 11% | 0.112 | 53% | 0.531 | C | S | . | . | G | 310 helix | trans | -79.5 | -14.1 | 175.4 | -62.6 | -53.8 | 0 | 0 | 0 | 112.6 | R141 Y142 L181 E182 | R141-D184 WeakPolarHBondContact CB-OD1 3.49Å; R141-D184 IonicContact CZ-OD2 3.7Å; R141-D184 IonicContact NH1-OD1 2.71Å; R141-D184 IonicContact NH1-OD2 3.53Å; R141-D184 PolarHBondContact NH1-OD2 3.2Å; Y142-D184 HydrophobicContact CD2-CB 4.18Å; L181-D184 PolarHBondContact N-OD2 3.41Å; L181-D184 VanDerWaalsContact O-CB 3.28Å; L181-D184 WeakPolarHBondContact O-CB 3.43Å; L181-D184 PolarHBondContact O-N 2.91Å; E182-D184 PolarHBondContact O-N 3.31Å |
| 185 | L | 72.6 | Confident | 63 | Low | 126 Ų | 126 | 106.6 Ų | 106.6 | 66% | 0.66 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | -12.5 | 177.2 | -57.7 | 175 | 0 | 0 | 0 | 112.1 | E182 A183 K187 | E182-L185 WeakPolarHBondContact O-CB 3.33Å; E182-L185 PolarHBondContact O-N 2.74Å; A183-L185 VanDerWaalsContact C-N 3.29Å; L185-K187 PolarHBondContact O-N 3.29Å |
| 186 | E | 70.4 | Confident | 60.1 | Low | 140 Ų | 140 | 112.6 Ų | 112.6 | 65% | 0.654 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -67.3 | 128.2 | 173.2 | -66 | -171.9 | 174 | 0 | 0 | 109.8 | H143 K188 | H143-E186 PolarHBondContact NE2-O 3.06Å; E186-K188 PolarHBondContact O-N 2.98Å |
| 187 | K | 57.3 | Low | 57.1 | Low | 165 Ų | 165 | 116.2 Ų | 116.2 | 72% | 0.717 | 61% | 0.609 | S | S | * | * | trans | -71.1 | 127.7 | 179.8 | -73.2 | 171.6 | -179.6 | 165.2 | 0 | 108.8 | L185 | L185-K187 PolarHBondContact O-N 3.29Š| ||
| 188 | K | 52.8 | Low | 54.2 | Low | 107 Ų | 107 | 124 Ų | 124 | 47% | 0.465 | 65% | 0.645 | S | S | . | * | trans | -39.2 | 135 | 158.3 | -95.1 | 177.6 | 176.4 | 163.1 | 0 | 108.5 | E140 H143 E186 K190 | E140-K188 IonicContact OE2-NZ 2.82Å; E140-K188 PolarHBondContact OE2-NZ 2.97Å; H143-K188 HydrophobicContact CB-CD 4.35Å; H143-K188 PolarHBondContact O-NZ 2.98Å; E186-K188 PolarHBondContact O-N 2.98Å; K188-K190 PolarHBondContact O-N 3.24Å | ||
| 189 | P | 36.2 | Very low | 51.2 | Low | 133 Ų | 133 | 130 Ų | 130 | 86% | 0.864 | 68% | 0.677 | S | S | * | * | trans | -56 | 110.7 | 177.4 | 20.1 | -29.5 | 0 | 0 | 0 | 108.8 | ||||
| 190 | K | 38.1 | Very low | 48.5 | Very low | 166 Ų | 166 | 135 Ų | 135 | 72% | 0.722 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 125.2 | -176.3 | -76.1 | -171 | 175.1 | -172.2 | 0 | 109.6 | K188 A192 | K188-K190 PolarHBondContact O-N 3.24Å; K190-A192 PolarHBondContact O-N 3.24Å |
| 191 | V | 41.3 | Very low | 45.6 | Very low | 150 Ų | 150 | 140.7 Ų | 140.7 | 91% | 0.909 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 128.1 | 150.3 | 179.6 | 0 | 0 | 0 | 0 | 107.2 | ||
| 192 | A | 32 | Very low | 42.9 | Very low | 88 Ų | 88 | 147.2 Ų | 147.2 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 134.6 | -161.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | K190 | K190-A192 PolarHBondContact O-N 3.24Š|
| 193 | K | 29.9 | Very low | 40.6 | Very low | 214 Ų | 214 | 146.3 Ų | 146.3 | 93% | 0.93 | 74% | 0.744 | S | S | * | * | trans | -158.9 | 152.3 | 132.4 | -117.4 | 175.6 | -177.7 | 177.7 | 0 | 112.3 | ||||
| 194 | A | 31.4 | Very low | 38.3 | Very low | 103 Ų | 103 | 148 Ų | 148 | 85% | 0.851 | 76% | 0.758 | S | S | * | * | trans | -66.8 | 156.3 | -149.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 195 | R | 27.4 | Very low | 35.8 | Very low | 189 Ų | 189 | 154.8 Ų | 154.8 | 71% | 0.713 | 79% | 0.786 | S | S | * | * | trans | -87.8 | 156.7 | -176.3 | -160.7 | -174.7 | -169.2 | -172.2 | 3.2 | 111.5 | E197 | R195-E197 IonicContact CZ-OE1 3.7Å; R195-E197 IonicContact NE-OE1 2.78Å; R195-E197 IonicContact NH1-OE1 3.54Å; R195-E197 PolarHBondContact NH1-OE1 2.99Å; R195-E197 IonicContact NH2-OE1 3.04Å; R195-E197 PolarHBondContact NH2-OE1 3.34Å | ||
| 196 | L | 27.7 | Very low | 33.4 | Very low | 179 Ų | 179 | 156.5 Ų | 156.5 | 94% | 0.937 | 80% | 0.796 | S | S | * | * | trans | -152.1 | 138.6 | 140.4 | -97.1 | 163.1 | 0 | 0 | 0 | 109 | ||||
| 197 | E | 28.8 | Very low | 31.2 | Very low | 130 Ų | 130 | 156.5 Ų | 156.5 | 61% | 0.607 | 81% | 0.806 | S | S | * | * | trans | -83 | 138.5 | -167.5 | -65.8 | 167.9 | 163.2 | 0 | 0 | 112 | R195 | R195-E197 IonicContact CZ-OE1 3.7Å; R195-E197 IonicContact NE-OE1 2.78Å; R195-E197 IonicContact NH1-OE1 3.54Å; R195-E197 PolarHBondContact NH1-OE1 2.99Å; R195-E197 IonicContact NH2-OE1 3.04Å; R195-E197 PolarHBondContact NH2-OE1 3.34Å | ||
| 198 | E | 28.4 | Very low | 29.6 | Very low | 181 Ų | 181 | 157 Ų | 157 | 85% | 0.846 | 81% | 0.812 | S | S | * | * | 73.9 | 116.5 | 78.4 | -144.6 | 178.3 | -123.3 | 0 | 0 | 115.5 | |||||
| 199 | T | 24.9 | Very low | 28.2 | Very low | 149 Ų | 149 | 160.5 Ų | 160.5 | 91% | 0.914 | 83% | 0.83 | S | S | * | * | trans | -156.5 | 135.8 | 144.9 | 41.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 200 | D | 26.3 | Very low | 27.5 | Very low | 142 Ų | 142 | 162.2 Ų | 162.2 | 76% | 0.759 | 83% | 0.832 | S | S | * | * | trans | -81.8 | 152.7 | -177.2 | -165.6 | 7.9 | 0 | 0 | 0 | 113 | ||||
| 201 | R | 25.3 | Very low | 26.9 | Very low | 248 Ų | 248 | 157.8 Ų | 157.8 | 94% | 0.936 | 83% | 0.834 | S | S | * | * | trans | -173.2 | 124.9 | 153.4 | -106.2 | 170.1 | -162.6 | -158.7 | 4.7 | 113.4 | ||||
| 202 | R | 27.3 | Very low | 26.1 | Very low | 228 Ų | 228 | 160 Ų | 160 | 86% | 0.86 | 83% | 0.834 | S | S | * | * | trans | -73 | 150.5 | 169.3 | -62.9 | 170.5 | 173.6 | 176.6 | -3.3 | 112.3 | ||||
| 203 | T | 24.5 | Very low | 25.8 | Very low | 153 Ų | 153 | 162.3 Ų | 162.3 | 94% | 0.939 | 84% | 0.839 | S | S | * | * | trans | -161.8 | 150.6 | 142.7 | 18.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 204 | A | 24.3 | Very low | 25.6 | Very low | 95 Ų | 95 | 156.8 Ų | 156.8 | 79% | 0.785 | 83% | 0.834 | S | S | * | * | trans | -95.5 | 161.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 205 | K | 25.3 | Very low | 25.7 | Very low | 164 Ų | 164 | 159.9 Ų | 159.9 | 71% | 0.713 | 84% | 0.836 | S | S | * | * | trans | 5.2 | 139.9 | 161.1 | -72.9 | -179.2 | 173.6 | -177.4 | 0 | 121.5 | ||||
| 206 | D | 22.2 | Very low | 26 | Very low | 162 Ų | 162 | 159 Ų | 159 | 87% | 0.866 | 84% | 0.84 | S | S | * | * | -156.5 | 135.8 | 112.7 | -93 | -25.8 | 0 | 0 | 0 | 110.6 | |||||
| 207 | V | 24.3 | Very low | 27.1 | Very low | 141 Ų | 141 | 156.7 Ų | 156.7 | 86% | 0.855 | 83% | 0.833 | S | S | * | * | trans | -127.3 | 118.1 | 171.6 | 175.8 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 208 | M | 22.8 | Very low | 28.8 | Very low | 175 Ų | 175 | 155 Ų | 155 | 86% | 0.862 | 83% | 0.828 | S | S | * | * | trans | -87.3 | 127 | 170.8 | -75.6 | 174.9 | 64.2 | 0 | 0 | 109.5 | ||||
| 209 | E | 23.4 | Very low | 31 | Very low | 180 Ų | 180 | 149.1 Ų | 149.1 | 84% | 0.841 | 81% | 0.807 | S | S | * | * | trans | -69.8 | 141.9 | 164.5 | -73 | 172.6 | 146.2 | 0 | 0 | 110.1 | ||||
| 210 | N | 23 | Very low | 33.2 | Very low | 169 Ų | 169 | 143.5 Ų | 143.5 | 90% | 0.904 | 77% | 0.771 | S | S | * | * | trans | -139.3 | 108.9 | 151.3 | -93.1 | -15.5 | 0 | 0 | 0 | 106.7 | ||||
| 211 | G | 24.3 | Very low | 35.4 | Very low | 73 Ų | 73 | 140 Ų | 140 | 75% | 0.753 | 75% | 0.751 | S | S | * | * | trans | -104.8 | 128.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 212 | E | 24.6 | Very low | 37.8 | Very low | 196 Ų | 196 | 131.9 Ų | 131.9 | 92% | 0.916 | 72% | 0.724 | S | S | * | * | trans | -137.1 | 120.6 | 149.9 | -75.3 | -172.8 | 163.3 | 0 | 0 | 106.3 | ||||
| 213 | T | 25.3 | Very low | 40 | Very low | 137 Ų | 137 | 123.5 Ų | 123.5 | 84% | 0.84 | 70% | 0.695 | S | S | * | * | trans | -126.4 | 115.7 | 169.2 | 44.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 214 | A | 25.8 | Very low | 42.5 | Very low | 98 Ų | 98 | 116.4 Ų | 116.4 | 81% | 0.81 | 65% | 0.651 | S | S | * | * | trans | -74.4 | 153.5 | 160.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | Q216 | A214-Q216 PolarHBondContact O-N 2.93Š| ||
| 215 | D | 33 | Very low | 44.7 | Very low | 169 Ų | 169 | 118.4 Ų | 118.4 | 90% | 0.904 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -67.4 | 99.6 | -167.6 | -156.4 | 9.5 | 0 | 0 | 0 | 112.9 | ||
| 216 | Q | 34.7 | Very low | 46.3 | Very low | 170 Ų | 170 | 111.1 Ų | 111.1 | 79% | 0.794 | 61% | 0.61 | S | S | * | * | trans | -142.7 | 137.5 | 164.2 | -73.1 | -175.3 | -6.1 | 0 | 0 | 109 | A214 L218 | A214-Q216 PolarHBondContact O-N 2.93Å; Q216-L218 PolarHBondContact O-N 3.47Å | ||
| 217 | T | 51.8 | Low | 48.1 | Very low | 130 Ų | 130 | 111.1 Ų | 111.1 | 80% | 0.798 | 61% | 0.605 | S | S | * | * | trans | -64.6 | 109.4 | 176.9 | -50.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 218 | L | 63.3 | Low | 50 | Low | 95 Ų | 95 | 107.4 Ų | 107.4 | 50% | 0.497 | 59% | 0.589 | S | S | . | * | trans | -62.5 | 151.6 | -178.9 | -67.4 | 169.7 | 0 | 0 | 0 | 111.6 | Q216 E222 | Q216-L218 PolarHBondContact O-N 3.47Å; L218-E222 HydrophobicContact CB-CB 4.09Å; L218-E222 HydrophobicContact CD2-CB 4.48Å | ||
| 219 | S | 74.3 | Confident | 52.4 | Low | 58 Ų | 58 | 100.9 Ų | 100.9 | 41% | 0.406 | 56% | 0.557 | S | S | . | * | trans | -62.1 | 154.6 | 173.5 | 69.3 | 0 | 0 | 0 | 0 | 111 | M221 E222 Q223 | S219-M221 PolarHBondContact O-N 2.87Å; S219-M221 VanDerWaalsContact O-N 3.15Å; S219-E222 VanDerWaalsContact CB-OE2 3.31Å; S219-E222 WeakPolarHBondContact CB-OE2 3.36Å; S219-E222 PolarHBondContact N-OE2 3.39Å; S219-E222 PolarHBondContact O-N 3.27Å; S219-E222 VanDerWaalsContact OG-CG 3.25Å; S219-E222 WeakPolarHBondContact OG-CG 3.49Å; S219-E222 PolarHBondContact OG-N 3.13Å; S219-E222 PolarHBondContact OG-OE2 2.92Å; S219-Q223 PolarHBondContact O-N 3.34Å | ||
| 220 | L | 72.5 | Confident | 55.3 | Low | 30 Ų | 30 | 101.1 Ų | 101.1 | 16% | 0.157 | 56% | 0.555 | C | S | . | * | H | α-helix | trans | -52 | -41.7 | 179.4 | 179.6 | 63 | 0 | 0 | 0 | 111.9 | E222 Q223 L224 N285 A537 | L220-E222 PolarHBondContact O-N 3.31Å; L220-Q223 PolarHBondContact O-N 3.01Å; L220-L224 HydrophobicContact CD1-CD1 3.81Å; L220-L224 HydrophobicContact CD1-CG 4.1Å; L220-L224 HydrophobicContact CG-CD1 3.92Å; L220-L224 HydrophobicContact CG-CG 4.46Å; L220-L224 WeakPolarHBondContact O-CB 3.2Å; L220-L224 WeakPolarHBondContact O-CG 3.4Å; L220-L224 PolarHBondContact O-N 3.47Å; L220-N285 HydrophobicContact CD2-CB 4.5Å; L220-N285 WeakPolarHBondContact CD2-OD1 3.38Å; L220-A537 HydrophobicContact CB-CB 3.83Å; L220-A537 HydrophobicContact CD1-CB 3.74Å; L220-A537 HydrophobicContact CG-CB 4.3Å |
| 221 | M | 72.4 | Confident | 58.5 | Low | 69 Ų | 69 | 94.6 Ų | 94.6 | 34% | 0.34 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.7 | -34.7 | -179.1 | -68.3 | -66 | -74 | 0 | 0 | 112.5 | S219 R225 K292 A293 | S219-M221 PolarHBondContact O-N 2.87Å; S219-M221 VanDerWaalsContact O-N 3.15Å; M221-R225 WeakPolarHBondContact O-CG 3.45Å; M221-R225 PolarHBondContact O-N 3.25Å; M221-K292 HydrophobicContact CE-CB 3.96Å; M221-K292 HydrophobicContact CE-CD 4.1Å; M221-K292 HydrophobicContact CE-CG 3.71Å; M221-K292 HydrophobicContact SD-CB 4.31Å; M221-K292 HydrophobicContact SD-CD 4.3Å; M221-K292 HydrophobicContact SD-CG 4.37Å; M221-A293 VanDerWaalsContact CE-CA 3.44Å; M221-A293 HydrophobicContact CE-CB 3.9Å; M221-A293 WeakPolarHBondContact O-CB 3.44Å; M221-A293 HydrophobicContact SD-CB 4.1Å |
| 222 | E | 74.3 | Confident | 61.8 | Low | 78 Ų | 78 | 91.8 Ų | 91.8 | 36% | 0.364 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -71.7 | -41.1 | 175.2 | -71.9 | 163.7 | 146.6 | 0 | 0 | 111.5 | L218 S219 L220 L224 R225 | L218-E222 HydrophobicContact CB-CB 4.09Å; L218-E222 HydrophobicContact CD2-CB 4.48Å; S219-E222 VanDerWaalsContact CB-OE2 3.31Å; S219-E222 WeakPolarHBondContact CB-OE2 3.36Å; S219-E222 PolarHBondContact N-OE2 3.39Å; S219-E222 PolarHBondContact O-N 3.27Å; S219-E222 VanDerWaalsContact OG-CG 3.25Å; S219-E222 WeakPolarHBondContact OG-CG 3.49Å; S219-E222 PolarHBondContact OG-N 3.13Å; S219-E222 PolarHBondContact OG-OE2 2.92Å; L220-E222 PolarHBondContact O-N 3.31Å; E222-L224 PolarHBondContact O-N 3.32Å; E222-R225 PolarHBondContact O-N 2.87Å |
| 223 | Q | 74.3 | Confident | 65.2 | Low | 52 Ų | 52 | 88.6 Ų | 88.6 | 24% | 0.243 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -63.4 | -30.5 | 175.8 | -167.1 | -178.6 | 13.6 | 0 | 0 | 112.4 | S219 L220 A537 G540 | S219-Q223 PolarHBondContact O-N 3.34Å; L220-Q223 PolarHBondContact O-N 3.01Å; Q223-A537 PolarHBondContact OE1-O 3.25Å; Q223-G540 VanDerWaalsContact NE2-CA 3.27Å |
| 224 | L | 76.6 | Confident | 68.6 | Low | 3 Ų | 3 | 83.4 Ų | 83.4 | 2% | 0.016 | 44% | 0.438 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | 2.4 | 179.9 | -65.3 | -179 | 0 | 0 | 0 | 114.4 | L220 E222 G226 L229 F286 Y290 A293 N294 V541 | L220-L224 HydrophobicContact CD1-CD1 3.81Å; L220-L224 HydrophobicContact CD1-CG 4.1Å; L220-L224 HydrophobicContact CG-CD1 3.92Å; L220-L224 HydrophobicContact CG-CG 4.46Å; L220-L224 WeakPolarHBondContact O-CB 3.2Å; L220-L224 WeakPolarHBondContact O-CG 3.4Å; L220-L224 PolarHBondContact O-N 3.47Å; E222-L224 PolarHBondContact O-N 3.32Å; L224-G226 PolarHBondContact O-N 2.69Å; L224-L229 HydrophobicContact CD2-CD1 4.11Å; L224-F286 HydrophobicContact CD2-CD2 3.52Å; L224-F286 HydrophobicContact CD2-CE2 3.72Å; L224-Y290 VanDerWaalsContact O-CD2 3.22Å; L224-Y290 WeakPolarHBondContact O-CD2 3.35Å; L224-A293 HydrophobicContact CB-CB 3.94Å; L224-N294 PolarHBondContact O-ND2 3.48Å; L224-V541 HydrophobicContact CD2-CG2 4.06Å |
| 225 | R | 70.6 | Confident | 71.9 | Confident | 137 Ų | 137 | 79.1 Ų | 79.1 | 52% | 0.517 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -64.9 | 135.9 | 171.5 | -68.6 | -167.2 | -167.7 | 173.5 | 7.8 | 110 | M221 E222 E227 A228 L229 | M221-R225 WeakPolarHBondContact O-CG 3.45Å; M221-R225 PolarHBondContact O-N 3.25Å; E222-R225 PolarHBondContact O-N 2.87Å; R225-E227 PolarHBondContact O-N 3.34Å; R225-A228 WeakPolarHBondContact O-CB 3.24Å; R225-A228 PolarHBondContact O-N 3.03Å; R225-L229 PolarHBondContact O-N 3Å |
| 226 | G | 58.5 | Low | 74.9 | Confident | 12 Ų | 12 | 73.4 Ų | 73.4 | 12% | 0.124 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -56.1 | -28.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | L224 K230 F231 N294 | L224-G226 PolarHBondContact O-N 2.69Å; G226-K230 PolarHBondContact O-N 2.94Å; G226-F231 PolarHBondContact O-N 2.9Å; G226-F231 VanDerWaalsContact O-N 3.16Å; G226-N294 PolarHBondContact N-OD1 2.89Å |
| 227 | E | 61.3 | Low | 77.9 | Confident | 162 Ų | 162 | 65.3 Ų | 65.3 | 76% | 0.757 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -67.6 | -37.2 | 175 | -64.5 | 178.7 | 170.9 | 0 | 0 | 112.5 | R225 | R225-E227 PolarHBondContact O-N 3.34Å |
| 228 | A | 63 | Low | 80 | Confident | 63 Ų | 63 | 63.4 Ų | 63.4 | 52% | 0.521 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -71.4 | -35.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | R225 | R225-A228 WeakPolarHBondContact O-CB 3.24Å; R225-A228 PolarHBondContact O-N 3.03Å |
| 229 | L | 74.1 | Confident | 81.5 | Confident | 38 Ų | 38 | 63.7 Ų | 63.7 | 20% | 0.199 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -89.3 | -5.3 | -179.6 | -65 | 173.5 | 0 | 0 | 0 | 114 | L224 R225 F231 F286 Y290 V541 | L224-L229 HydrophobicContact CD2-CD1 4.11Å; R225-L229 PolarHBondContact O-N 3Å; L229-F231 HydrophobicContact CB-CD1 4.25Å; L229-F231 HydrophobicContact CB-CD2 4.15Å; L229-F231 HydrophobicContact CB-CE1 4.43Å; L229-F231 HydrophobicContact CB-CE2 4.33Å; L229-F231 HydrophobicContact CB-CG 4.11Å; L229-F231 HydrophobicContact CB-CZ 4.48Å; L229-F231 HydrophobicContact CD1-CD2 4.25Å; L229-F231 HydrophobicContact CD1-CE2 4Å; L229-F231 PolarHBondContact O-N 3.3Å; L229-F286 HydrophobicContact CD1-CE2 3.83Å; L229-F286 HydrophobicContact CD1-CZ 4.36Å; L229-Y290 HydrophobicContact CD1-CD2 3.99Å; L229-Y290 HydrophobicContact CD1-CE2 4.11Å; L229-V541 HydrophobicContact CD2-CB 4.03Å; L229-V541 HydrophobicContact CD2-CG1 4.3Å; L229-V541 HydrophobicContact CD2-CG2 4.26Å |
| 230 | K | 84 | Confident | 82.5 | Confident | 185 Ų | 185 | 61.6 Ų | 61.6 | 80% | 0.804 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 31.6 | -174 | -55.5 | -175.1 | 179.8 | -174.9 | 0 | 113.5 | G226 | G226-K230 PolarHBondContact O-N 2.94Š|
| 231 | F | 90.9 | Very high | 83.3 | Confident | 31 Ų | 31 | 63.9 Ų | 63.9 | 14% | 0.136 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -77.1 | 153.2 | 174.2 | -73.5 | -9.7 | 0 | 0 | 0 | 111.2 | G226 L229 F286 Y290 H453 L455 W482 | G226-F231 PolarHBondContact O-N 2.9Å; G226-F231 VanDerWaalsContact O-N 3.16Å; L229-F231 HydrophobicContact CB-CD1 4.25Å; L229-F231 HydrophobicContact CB-CD2 4.15Å; L229-F231 HydrophobicContact CB-CE1 4.43Å; L229-F231 HydrophobicContact CB-CE2 4.33Å; L229-F231 HydrophobicContact CB-CG 4.11Å; L229-F231 HydrophobicContact CB-CZ 4.48Å; L229-F231 HydrophobicContact CD1-CD2 4.25Å; L229-F231 HydrophobicContact CD1-CE2 4Å; L229-F231 PolarHBondContact O-N 3.3Å; F231-F286 HydrophobicContact CE2-CE2 4.42Å; F231-F286 AromaticContact CE2-CZ 3.76Å; F231-F286 HydrophobicContact CE2-CZ 3.76Å; F231-F286 AromaticContact CZ-CZ 3.82Å; F231-F286 HydrophobicContact CZ-CZ 3.82Å; F231-Y290 WeakPolarHBondContact CB-OH 3.16Å; F231-Y290 HydrophobicContact CD2-CD2 4.23Å; F231-Y290 HydrophobicContact CD2-CE1 4.41Å; F231-Y290 AromaticContact CD2-CE2 3.53Å; F231-Y290 HydrophobicContact CD2-CE2 3.53Å; F231-Y290 AromaticContact CD2-CZ 3.63Å; F231-Y290 HydrophobicContact CE2-CD2 4.49Å; F231-Y290 HydrophobicContact CE2-CE2 4.21Å; F231-Y290 HydrophobicContact CG-CE2 4.48Å; F231-H453 AromaticContact CD2-CD2 3.81Å; F231-L455 HydrophobicContact CE2-CD2 3.88Å; F231-L455 HydrophobicContact CZ-CD2 4.25Å; F231-W482 AromaticContact CD1-CD2 3.99Å; F231-W482 HydrophobicContact CD1-CD2 3.99Å; F231-W482 AromaticContact CD1-CE2 3.88Å; F231-W482 HydrophobicContact CD1-CE3 4.41Å; F231-W482 HydrophobicContact CD1-CG 4.35Å; F231-W482 HydrophobicContact CD1-CZ2 4.2Å; F231-W482 HydrophobicContact CE1-CB 4.35Å; F231-W482 AromaticContact CE1-CD2 3.65Å; F231-W482 HydrophobicContact CE1-CD2 3.65Å; F231-W482 AromaticContact CE1-CE3 3.89Å; F231-W482 HydrophobicContact CE1-CE3 3.89Å; F231-W482 AromaticContact CE1-CG 3.87Å; F231-W482 HydrophobicContact CE1-CG 3.87Å; F231-W482 HydrophobicContact CE1-CZ3 4.45Å; F231-W482 HydrophobicContact CZ-CB 4.17Å; F231-W482 HydrophobicContact CZ-CD2 4.34Å; F231-W482 HydrophobicContact CZ-CG 4.08Å |
| 232 | H | 93.6 | Very high | 84.1 | Confident | 15 Ų | 15 | 63.3 Ų | 63.3 | 7% | 0.069 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -65.7 | 150 | 178 | 70.8 | -55.5 | 0 | 0 | 0 | 112.4 | T240 T452 H453 V480 W482 | H232-T240 HydrophobicContact CB-CG2 3.59Å; H232-T452 PolarHBondContact CE1-O 3.31Å; H232-T452 PolarHBondContact NE2-O 3.19Å; H232-H453 AromaticContact CE1-CD2 3.66Å; H232-H453 AromaticContact CE1-CE1 3.65Å; H232-H453 AromaticContact CE1-NE2 3.42Å; H232-H453 PolarHBondContact CE1-NE2 3.47Å; H232-H453 AromaticContact ND1-CD2 3.8Å; H232-H453 AromaticContact ND1-CE1 3.95Å; H232-H453 AromaticContact ND1-NE2 3.36Å; H232-H453 PolarHBondContact ND1-NE2 3.44Å; H232-H453 PolarHBondContact O-CE1 2.87Å; H232-H453 PolarHBondContact O-NE2 2.99Å; H232-H453 VanDerWaalsContact O-NE2 3.08Å; H232-V480 WeakPolarHBondContact NE2-CG2 3.12Å; H232-W482 AromaticContact ND1-NE1 3.91Å |
| 233 | K | 94.9 | Very high | 85.1 | Confident | 128 Ų | 128 | 60.8 Ų | 60.8 | 56% | 0.557 | 31% | 0.31 | S | S | * | . | P | Polyproline II helix | trans | -74 | 149.1 | 168.8 | -63.6 | -175.3 | 177.9 | -170.9 | 0 | 109.8 | G235 E236 | K233-G235 PolarHBondContact O-N 2.85Å; K233-E236 HydrophobicContact CB-CG 4.19Å; K233-E236 WeakPolarHBondContact O-CB 3.32Å; K233-E236 PolarHBondContact O-N 2.66Å |
| 234 | P | 96.2 | Very high | 86.1 | Confident | 28 Ų | 28 | 61.8 Ų | 61.8 | 18% | 0.182 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | 131 | 174.5 | -30.2 | 38.2 | 0 | 0 | 0 | 112.3 | E236 G262 V264 T452 | P234-E236 VanDerWaalsContact C-N 3.3Å; P234-E236 PolarHBondContact O-N 3.22Å; P234-G262 WeakPolarHBondContact CB-O 3.4Å; P234-G262 WeakPolarHBondContact CG-O 3.44Å; P234-V264 HydrophobicContact CG-CG2 3.69Å; P234-T452 HydrophobicContact CB-CG2 4.11Å; P234-T452 HydrophobicContact CG-CG2 4.36Å |
| 235 | G | 94.9 | Very high | 87.1 | Confident | 9 Ų | 9 | 65.4 Ų | 65.4 | 9% | 0.093 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.3 | -7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | K233 | K233-G235 PolarHBondContact O-N 2.85Š|
| 236 | E | 97 | Very high | 88.3 | Confident | 48 Ų | 48 | 60 Ų | 60 | 22% | 0.224 | 32% | 0.324 | C | S | . | . | trans | -101 | 26.4 | 176.9 | -55.1 | -165.2 | 142.8 | 0 | 0 | 113.4 | K233 P234 Y238 K239 | K233-E236 HydrophobicContact CB-CG 4.19Å; K233-E236 WeakPolarHBondContact O-CB 3.32Å; K233-E236 PolarHBondContact O-N 2.66Å; P234-E236 VanDerWaalsContact C-N 3.3Å; P234-E236 PolarHBondContact O-N 3.22Å; E236-Y238 HydrophobicContact CB-CE1 4.29Å; E236-Y238 PolarHBondContact O-N 3.48Å; E236-Y238 VanDerWaalsContact O-N 3.08Å; E236-K239 HydrophobicContact CB-CD 4.14Å; E236-K239 HydrophobicContact CB-CG 4.47Å; E236-K239 PolarHBondContact O-N 3.09Å; E236-K239 IonicContact OE1-NZ 2.77Å; E236-K239 PolarHBondContact OE1-NZ 3.17Å; E236-K239 IonicContact OE2-NZ 2.76Å; E236-K239 PolarHBondContact OE2-NZ 2.92Å | ||
| 237 | N | 97.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 36% | 0.362 | C | S | . | . | G | 310 helix | trans | -51.9 | -36.8 | -176.9 | -58.4 | 40.8 | 0 | 0 | 0 | 112.5 | K239 T240 Y243 L253 Y477 C478 V480 | N237-K239 PolarHBondContact O-N 3.25Å; N237-T240 WeakPolarHBondContact O-CB 3.4Å; N237-T240 WeakPolarHBondContact O-CG2 3.31Å; N237-T240 PolarHBondContact O-N 3.37Å; N237-T240 PolarHBondContact O-OG1 2.77Å; N237-Y243 HydrophobicContact CB-CD2 4.19Å; N237-Y243 HydrophobicContact CB-CE1 4.16Å; N237-Y243 HydrophobicContact CB-CE2 3.6Å; N237-L253 HydrophobicContact CB-CD2 4.03Å; N237-Y477 PolarHBondContact ND2-OH 2.9Å; N237-C478 PolarHBondContact ND2-O 3.16Å; N237-V480 HydrophobicContact CB-CG2 3.6Å |
| 238 | Y | 96.3 | Very high | 91.8 | Very high | 90 Ų | 90 | 64.4 Ų | 64.4 | 35% | 0.353 | 35% | 0.348 | S | S | . | . | G | 310 helix | trans | -61.4 | -10.7 | -179.5 | 66.8 | -89.4 | 0 | 0 | 0 | 115.2 | E236 M250 L253 | E236-Y238 HydrophobicContact CB-CE1 4.29Å; E236-Y238 PolarHBondContact O-N 3.48Å; E236-Y238 VanDerWaalsContact O-N 3.08Å; Y238-M250 HydrophobicContact CD1-CE 4.17Å; Y238-M250 HydrophobicContact CD1-SD 4.45Å; Y238-M250 HydrophobicContact CD2-CE 4.15Å; Y238-M250 HydrophobicContact CG-CE 3.94Å; Y238-L253 HydrophobicContact CD1-CD1 3.75Å |
| 239 | K | 95.7 | Very high | 93.4 | Very high | 102 Ų | 102 | 61.7 Ų | 61.7 | 44% | 0.443 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -89.4 | -6.6 | 175.7 | -59.1 | -176.1 | -171.9 | 170.3 | 0 | 113.5 | E236 N237 | E236-K239 HydrophobicContact CB-CD 4.14Å; E236-K239 HydrophobicContact CB-CG 4.47Å; E236-K239 PolarHBondContact O-N 3.09Å; E236-K239 IonicContact OE1-NZ 2.77Å; E236-K239 PolarHBondContact OE1-NZ 3.17Å; E236-K239 IonicContact OE2-NZ 2.76Å; E236-K239 PolarHBondContact OE2-NZ 2.92Å; N237-K239 PolarHBondContact O-N 3.25Å |
| 240 | T | 93.6 | Very high | 94.5 | Very high | 13 Ų | 13 | 64.7 Ų | 64.7 | 8% | 0.08 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -87.3 | 149.4 | -173 | 64.7 | 0 | 0 | 0 | 0 | 111.7 | H232 N237 G242 Y243 V480 W482 | H232-T240 HydrophobicContact CB-CG2 3.59Å; N237-T240 WeakPolarHBondContact O-CB 3.4Å; N237-T240 WeakPolarHBondContact O-CG2 3.31Å; N237-T240 PolarHBondContact O-N 3.37Å; N237-T240 PolarHBondContact O-OG1 2.77Å; T240-G242 PolarHBondContact O-N 3.29Å; T240-Y243 WeakPolarHBondContact O-CB 3.41Å; T240-Y243 PolarHBondContact O-N 3.09Å; T240-V480 HydrophobicContact CG2-CG1 3.96Å; T240-V480 HydrophobicContact CG2-CG2 4.06Å; T240-W482 HydrophobicContact CG2-CZ2 4Å |
| 241 | P | 89.8 | Confident | 95.1 | Very high | 79 Ų | 79 | 58.7 Ų | 58.7 | 51% | 0.513 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | 131.3 | -174.3 | 25.6 | -34.4 | 0 | 0 | 0 | 111.7 | Y243 W482 | P241-Y243 VanDerWaalsContact C-N 3.26Å; P241-Y243 PolarHBondContact O-N 3.34Å; P241-W482 HydrophobicContact CG-CH2 4.16Å |
| 242 | G | 89.9 | Confident | 95.4 | Very high | 57 Ų | 57 | 58.1 Ų | 58.1 | 59% | 0.588 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.6 | -0.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | T240 F468 | T240-G242 PolarHBondContact O-N 3.29Å; G242-F468 VanDerWaalsContact O-CD2 3.28Å; G242-F468 WeakPolarHBondContact O-CD2 3.48Å; G242-F468 WeakPolarHBondContact O-CE2 3.28Å |
| 243 | Y | 94.8 | Very high | 95.6 | Very high | 25 Ų | 25 | 57.7 Ų | 57.7 | 10% | 0.098 | 32% | 0.317 | C | S | . | . | trans | -71 | 131.5 | 176.8 | -161.6 | -88.6 | 0 | 0 | 0 | 111.1 | N237 T240 P241 T249 F468 C478 V480 | N237-Y243 HydrophobicContact CB-CD2 4.19Å; N237-Y243 HydrophobicContact CB-CE1 4.16Å; N237-Y243 HydrophobicContact CB-CE2 3.6Å; T240-Y243 WeakPolarHBondContact O-CB 3.41Å; T240-Y243 PolarHBondContact O-N 3.09Å; P241-Y243 VanDerWaalsContact C-N 3.26Å; P241-Y243 PolarHBondContact O-N 3.34Å; Y243-T249 HydrophobicContact CE1-CG2 3.87Å; Y243-F468 HydrophobicContact CD2-CE1 4.32Å; Y243-F468 HydrophobicContact CD2-CZ 4.4Å; Y243-C478 HydrophobicContact CE2-CB 4.06Å; Y243-C478 WeakPolarHBondContact CE2-O 3.5Å; Y243-C478 WeakPolarHBondContact OH-CB 3.18Å; Y243-C478 PolarHBondContact OH-O 3.47Å; Y243-V480 HydrophobicContact CD2-CG2 4.18Å; Y243-V480 HydrophobicContact CE2-CG2 4.21Å | ||
| 244 | V | 95.6 | Very high | 95.7 | Very high | 73 Ų | 73 | 57.9 Ų | 57.9 | 44% | 0.442 | 32% | 0.318 | S | S | . | . | trans | -96 | 124.5 | -178.3 | -178.2 | 0 | 0 | 0 | 0 | 109.6 | T246 N472 | V244-T246 HydrophobicContact CG1-CG2 4.29Å; V244-N472 WeakPolarHBondContact CB-ND2 3.37Å | ||
| 245 | V | 96.9 | Very high | 95.7 | Very high | 79 Ų | 79 | 60.6 Ų | 60.6 | 48% | 0.479 | 33% | 0.328 | S | S | . | . | trans | -93.8 | 101.8 | 173.9 | -175.5 | 0 | 0 | 0 | 0 | 108.8 | T249 M250 | V245-T249 HydrophobicContact CG1-CG2 4.25Å; V245-M250 HydrophobicContact CG1-CE 4.25Å | ||
| 246 | T | 96.1 | Very high | 95.8 | Very high | 24 Ų | 24 | 60.1 Ų | 60.1 | 15% | 0.147 | 32% | 0.324 | C | S | . | . | trans | -83.3 | 166.5 | 171.5 | 82.1 | 0 | 0 | 0 | 0 | 110.3 | V244 R248 T249 N472 | V244-T246 HydrophobicContact CG1-CG2 4.29Å; T246-R248 PolarHBondContact O-N 3.32Å; T246-R248 PolarHBondContact OG1-N 2.87Å; T246-T249 PolarHBondContact N-OG1 3.22Å; T246-T249 WeakPolarHBondContact O-CB 3.42Å; T246-T249 PolarHBondContact O-N 3.15Å; T246-T249 VanDerWaalsContact O-N 3.08Å; T246-T249 PolarHBondContact O-OG1 3.08Å; T246-T249 PolarHBondContact OG1-N 3.46Å; T246-T249 PolarHBondContact OG1-OG1 3.49Å; T246-N472 HydrophobicContact CG2-CB 4.21Å | ||
| 247 | P | 97.6 | Very high | 95.8 | Very high | 142 Ų | 142 | 61.1 Ų | 61.1 | 92% | 0.922 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -23.5 | 174.9 | -26.8 | 36.3 | 0 | 0 | 0 | 114.3 | ||
| 248 | R | 95.9 | Very high | 95.6 | Very high | 124 Ų | 124 | 65.5 Ų | 65.5 | 47% | 0.468 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | -13.4 | 179.3 | -58.7 | -163.8 | 81.1 | -152.8 | 7.2 | 113.8 | T246 M250 S251 L252 | T246-R248 PolarHBondContact O-N 3.32Å; T246-R248 PolarHBondContact OG1-N 2.87Å; R248-M250 VanDerWaalsContact C-N 3.34Å; R248-M250 PolarHBondContact O-N 3.29Å; R248-S251 WeakPolarHBondContact O-CB 3.11Å; R248-S251 PolarHBondContact O-N 3.13Å; R248-L252 HydrophobicContact CB-CD1 3.96Å; R248-L252 HydrophobicContact CB-CG 4.31Å; R248-L252 WeakPolarHBondContact O-CG 3.34Å; R248-L252 PolarHBondContact O-N 3.45Å |
| 249 | T | 95.8 | Very high | 95.4 | Very high | 5 Ų | 5 | 63.6 Ų | 63.6 | 3% | 0.031 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -51.8 | -47.3 | -173.4 | -64.7 | 0 | 0 | 0 | 0 | 113.2 | Y243 V245 T246 S251 L252 L253 | Y243-T249 HydrophobicContact CE1-CG2 3.87Å; V245-T249 HydrophobicContact CG1-CG2 4.25Å; T246-T249 PolarHBondContact N-OG1 3.22Å; T246-T249 WeakPolarHBondContact O-CB 3.42Å; T246-T249 PolarHBondContact O-N 3.15Å; T246-T249 VanDerWaalsContact O-N 3.08Å; T246-T249 PolarHBondContact O-OG1 3.08Å; T246-T249 PolarHBondContact OG1-N 3.46Å; T246-T249 PolarHBondContact OG1-OG1 3.49Å; T249-S251 VanDerWaalsContact C-N 3.34Å; T249-S251 PolarHBondContact O-N 2.72Å; T249-L252 PolarHBondContact O-N 2.93Å; T249-L253 HydrophobicContact CG2-CD1 3.89Å; T249-L253 HydrophobicContact CG2-CG 4.38Å; T249-L253 WeakPolarHBondContact O-CG 3.38Å; T249-L253 PolarHBondContact O-N 3.03Å |
| 250 | M | 97.4 | Very high | 95.3 | Very high | 102 Ų | 102 | 58.8 Ų | 58.8 | 50% | 0.502 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -67.6 | -35.4 | -178.2 | -64.6 | -59.5 | 173.1 | 0 | 0 | 112.5 | Y238 V245 R248 L253 K254 | Y238-M250 HydrophobicContact CD1-CE 4.17Å; Y238-M250 HydrophobicContact CD1-SD 4.45Å; Y238-M250 HydrophobicContact CD2-CE 4.15Å; Y238-M250 HydrophobicContact CG-CE 3.94Å; V245-M250 HydrophobicContact CG1-CE 4.25Å; R248-M250 VanDerWaalsContact C-N 3.34Å; R248-M250 PolarHBondContact O-N 3.29Å; M250-L253 HydrophobicContact SD-CD1 4.33Å; M250-K254 PolarHBondContact O-N 2.92Å |
| 251 | S | 97.4 | Very high | 95.3 | Very high | 58 Ų | 58 | 60.3 Ų | 60.3 | 41% | 0.406 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -67.4 | -41 | 173.7 | -173.8 | 0 | 0 | 0 | 0 | 111.6 | R248 T249 K254 Q255 | R248-S251 WeakPolarHBondContact O-CB 3.11Å; R248-S251 PolarHBondContact O-N 3.13Å; T249-S251 VanDerWaalsContact C-N 3.34Å; T249-S251 PolarHBondContact O-N 2.72Å; S251-K254 WeakPolarHBondContact O-CB 3.32Å; S251-K254 PolarHBondContact O-N 3.17Å; S251-Q255 WeakPolarHBondContact O-CG 3.36Å; S251-Q255 PolarHBondContact O-N 2.86Å |
| 252 | L | 97.8 | Very high | 95.4 | Very high | 19 Ų | 19 | 58.1 Ų | 58.1 | 10% | 0.099 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -66.1 | -39.2 | 177.9 | -69.3 | 164.8 | 0 | 0 | 0 | 111.6 | R248 T249 K254 Q255 H256 I476 | R248-L252 HydrophobicContact CB-CD1 3.96Å; R248-L252 HydrophobicContact CB-CG 4.31Å; R248-L252 WeakPolarHBondContact O-CG 3.34Å; R248-L252 PolarHBondContact O-N 3.45Å; T249-L252 PolarHBondContact O-N 2.93Å; L252-K254 VanDerWaalsContact C-N 3.35Å; L252-Q255 PolarHBondContact O-N 3.38Å; L252-H256 VanDerWaalsContact O-CB 3.31Å; L252-H256 WeakPolarHBondContact O-CB 3.44Å; L252-H256 PolarHBondContact O-N 3.4Å; L252-I476 WeakPolarHBondContact CD1-O 3.33Å |
| 253 | L | 97.5 | Very high | 95.7 | Very high | 7 Ų | 7 | 56.5 Ų | 56.5 | 4% | 0.037 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67 | -36.3 | 174.9 | -71 | 171.4 | 0 | 0 | 0 | 112 | N237 Y238 T249 M250 H256 L257 Y477 | N237-L253 HydrophobicContact CB-CD2 4.03Å; Y238-L253 HydrophobicContact CD1-CD1 3.75Å; T249-L253 HydrophobicContact CG2-CD1 3.89Å; T249-L253 HydrophobicContact CG2-CG 4.38Å; T249-L253 WeakPolarHBondContact O-CG 3.38Å; T249-L253 PolarHBondContact O-N 3.03Å; M250-L253 HydrophobicContact SD-CD1 4.33Å; L253-H256 WeakPolarHBondContact O-CB 3.26Å; L253-H256 PolarHBondContact O-N 3.23Å; L253-L257 WeakPolarHBondContact O-CG 3.35Å; L253-L257 PolarHBondContact O-N 3.29Å; L253-Y477 HydrophobicContact CD2-CD2 4.36Å; L253-Y477 HydrophobicContact CD2-CE2 3.92Å |
| 254 | K | 96.5 | Very high | 95.8 | Very high | 132 Ų | 132 | 55.8 Ų | 55.8 | 57% | 0.574 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -61.5 | -49.6 | 172.7 | -172.8 | -173.3 | 174.7 | -162.9 | 0 | 111.3 | M250 S251 L252 H256 L257 E258 | M250-K254 PolarHBondContact O-N 2.92Å; S251-K254 WeakPolarHBondContact O-CB 3.32Å; S251-K254 PolarHBondContact O-N 3.17Å; L252-K254 VanDerWaalsContact C-N 3.35Å; K254-H256 VanDerWaalsContact C-N 3.31Å; K254-H256 PolarHBondContact O-N 2.96Å; K254-L257 PolarHBondContact O-N 2.95Å; K254-L257 VanDerWaalsContact O-N 3.17Å; K254-E258 VanDerWaalsContact CE-OE1 3.24Å; K254-E258 WeakPolarHBondContact CE-OE1 3.38Å; K254-E258 IonicContact NZ-OE1 3.76Å; K254-E258 WeakPolarHBondContact O-CG 3.21Å; K254-E258 PolarHBondContact O-N 3.26Å |
| 255 | Q | 96.1 | Very high | 96 | Very high | 84 Ų | 84 | 53.5 Ų | 53.5 | 39% | 0.393 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.3 | -41.8 | 175.8 | -70.4 | 171.8 | 3.9 | 0 | 0 | 111.8 | S251 L252 L257 E258 I259 | S251-Q255 WeakPolarHBondContact O-CG 3.36Å; S251-Q255 PolarHBondContact O-N 2.86Å; L252-Q255 PolarHBondContact O-N 3.38Å; Q255-L257 VanDerWaalsContact C-N 3.34Å; Q255-L257 PolarHBondContact O-N 3.37Å; Q255-E258 WeakPolarHBondContact O-CB 3.36Å; Q255-E258 PolarHBondContact O-N 3.2Å; Q255-I259 VanDerWaalsContact O-CG1 3.32Å; Q255-I259 WeakPolarHBondContact O-CG1 3.41Å; Q255-I259 PolarHBondContact O-N 2.95Å |
| 256 | H | 97.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.1 | -45.3 | 174.5 | 166.5 | 70.5 | 0 | 0 | 0 | 111.8 | L252 L253 K254 E258 I259 T260 H450 Y477 | L252-H256 VanDerWaalsContact O-CB 3.31Å; L252-H256 WeakPolarHBondContact O-CB 3.44Å; L252-H256 PolarHBondContact O-N 3.4Å; L253-H256 WeakPolarHBondContact O-CB 3.26Å; L253-H256 PolarHBondContact O-N 3.23Å; K254-H256 VanDerWaalsContact C-N 3.31Å; K254-H256 PolarHBondContact O-N 2.96Å; H256-E258 VanDerWaalsContact C-N 3.32Å; H256-E258 PolarHBondContact O-N 2.84Å; H256-I259 PolarHBondContact O-N 2.71Å; H256-T260 VanDerWaalsContact CE1-CG2 3.42Å; H256-T260 WeakPolarHBondContact CE1-CG2 3.49Å; H256-T260 WeakPolarHBondContact O-CB 3.17Å; H256-T260 VanDerWaalsContact O-CG2 3.28Å; H256-T260 WeakPolarHBondContact O-CG2 3.4Å; H256-T260 PolarHBondContact O-N 3.32Å; H256-T260 PolarHBondContact O-OG1 3.45Å; H256-H450 PolarHBondContact CE1-O 2.72Å; H256-H450 AromaticContact ND1-CG 3.81Å; H256-H450 AromaticContact ND1-ND1 3.33Å; H256-H450 PolarHBondContact ND1-ND1 3.05Å; H256-Y477 HydrophobicContact CB-CD2 3.72Å; H256-Y477 HydrophobicContact CB-CE2 3.81Å; H256-Y477 HydrophobicContact CB-CG 4.33Å; H256-Y477 AromaticContact CD2-CE2 3.68Å; H256-Y477 AromaticContact CD2-CZ 3.96Å; H256-Y477 AromaticContact CE1-CE1 3.95Å; H256-Y477 AromaticContact CE1-CE2 3.93Å; H256-Y477 AromaticContact CE1-CZ 3.43Å; H256-Y477 VanDerWaalsContact CE1-CZ 3.43Å; H256-Y477 PolarHBondContact CE1-OH 3.02Å; H256-Y477 AromaticContact CG-CD2 3.84Å; H256-Y477 AromaticContact CG-CE2 3.42Å; H256-Y477 VanDerWaalsContact CG-CE2 3.42Å; H256-Y477 AromaticContact CG-CZ 3.74Å; H256-Y477 AromaticContact ND1-CE1 3.76Å; H256-Y477 AromaticContact ND1-CE2 3.63Å; H256-Y477 AromaticContact ND1-CZ 3.43Å; H256-Y477 AromaticContact NE2-CE2 3.98Å; H256-Y477 AromaticContact NE2-CZ 3.77Å; H256-Y477 PolarHBondContact NE2-OH 2.88Å |
| 257 | L | 95.8 | Very high | 96.2 | Very high | 68 Ų | 68 | 49 Ų | 49 | 36% | 0.356 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -66 | -33.8 | 177.1 | -71.8 | 173.8 | 0 | 0 | 0 | 112.8 | L253 K254 Q255 I259 G261 | L253-L257 WeakPolarHBondContact O-CG 3.35Å; L253-L257 PolarHBondContact O-N 3.29Å; K254-L257 PolarHBondContact O-N 2.95Å; K254-L257 VanDerWaalsContact O-N 3.17Å; Q255-L257 VanDerWaalsContact C-N 3.34Å; Q255-L257 PolarHBondContact O-N 3.37Å; L257-I259 VanDerWaalsContact C-N 3.31Å; L257-G261 VanDerWaalsContact O-CA 3.31Å; L257-G261 WeakPolarHBondContact O-CA 3.12Å; L257-G261 PolarHBondContact O-N 2.92Å |
| 258 | E | 93.4 | Very high | 96.2 | Very high | 92 Ų | 92 | 42.6 Ų | 42.6 | 43% | 0.43 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -65.5 | -35.5 | 173.6 | -70.3 | 163.9 | -177.8 | 0 | 0 | 111.8 | K254 Q255 H256 | K254-E258 VanDerWaalsContact CE-OE1 3.24Å; K254-E258 WeakPolarHBondContact CE-OE1 3.38Å; K254-E258 IonicContact NZ-OE1 3.76Å; K254-E258 WeakPolarHBondContact O-CG 3.21Å; K254-E258 PolarHBondContact O-N 3.26Å; Q255-E258 WeakPolarHBondContact O-CB 3.36Å; Q255-E258 PolarHBondContact O-N 3.2Å; H256-E258 VanDerWaalsContact C-N 3.32Å; H256-E258 PolarHBondContact O-N 2.84Å |
| 259 | I | 93.1 | Very high | 96.2 | Very high | 50 Ų | 50 | 37.8 Ų | 37.8 | 26% | 0.256 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -78.5 | -35.6 | 178.3 | -68.1 | 165.7 | 0 | 0 | 0 | 112.1 | P179 Q255 H256 L257 H450 | P179-I259 HydrophobicContact CB-CG1 4.07Å; P179-I259 HydrophobicContact CG-CG1 3.95Å; Q255-I259 VanDerWaalsContact O-CG1 3.32Å; Q255-I259 WeakPolarHBondContact O-CG1 3.41Å; Q255-I259 PolarHBondContact O-N 2.95Å; H256-I259 PolarHBondContact O-N 2.71Å; L257-I259 VanDerWaalsContact C-N 3.31Å; I259-H450 VanDerWaalsContact CD1-CE1 3.49Å; I259-H450 WeakPolarHBondContact CD1-CE1 3.25Å; I259-H450 WeakPolarHBondContact CD1-NE2 3.49Å |
| 260 | T | 93.9 | Very high | 96.1 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.006 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -101.7 | -14.2 | -172.7 | 65.4 | 0 | 0 | 0 | 0 | 114.5 | H256 G262 Q263 R265 H450 | H256-T260 VanDerWaalsContact CE1-CG2 3.42Å; H256-T260 WeakPolarHBondContact CE1-CG2 3.49Å; H256-T260 WeakPolarHBondContact O-CB 3.17Å; H256-T260 VanDerWaalsContact O-CG2 3.28Å; H256-T260 WeakPolarHBondContact O-CG2 3.4Å; H256-T260 PolarHBondContact O-N 3.32Å; H256-T260 PolarHBondContact O-OG1 3.45Å; T260-G262 PolarHBondContact O-N 3.26Å; T260-G262 PolarHBondContact OG1-N 3.44Å; T260-Q263 WeakPolarHBondContact O-CB 3.4Å; T260-Q263 PolarHBondContact O-N 3.29Å; T260-R265 VanDerWaalsContact CG2-CD 3.4Å; T260-H450 HydrophobicContact CG2-CB 3.76Å |
| 261 | G | 92.4 | Very high | 95.8 | Very high | 46 Ų | 46 | 38.1 Ų | 38.1 | 47% | 0.474 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.8 | 17.5 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | L257 Q263 | L257-G261 VanDerWaalsContact O-CA 3.31Å; L257-G261 WeakPolarHBondContact O-CA 3.12Å; L257-G261 PolarHBondContact O-N 2.92Å; G261-Q263 VanDerWaalsContact C-N 3.3Å |
| 262 | G | 93.1 | Very high | 95.4 | Very high | 33 Ų | 33 | 35.7 Ų | 35.7 | 34% | 0.34 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.6 | 17.2 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | P234 T260 | P234-G262 WeakPolarHBondContact CB-O 3.4Å; P234-G262 WeakPolarHBondContact CG-O 3.44Å; T260-G262 PolarHBondContact O-N 3.26Å; T260-G262 PolarHBondContact OG1-N 3.44Å |
| 263 | Q | 95.4 | Very high | 94.8 | Very high | 23 Ų | 23 | 35 Ų | 35 | 11% | 0.107 | 19% | 0.189 | C | C | . | . | trans | -77 | 143.8 | 178.1 | -169.8 | 177.3 | 40 | 0 | 0 | 112.3 | M171 H175 T260 G261 N295 | M171-Q263 HydrophobicContact CE-CB 4.17Å; M171-Q263 HydrophobicContact SD-CB 4.11Å; M171-Q263 HydrophobicContact SD-CG 4.42Å; H175-Q263 PolarHBondContact CE1-OE1 3.43Å; H175-Q263 PolarHBondContact NE2-OE1 3.28Å; T260-Q263 WeakPolarHBondContact O-CB 3.4Å; T260-Q263 PolarHBondContact O-N 3.29Å; G261-Q263 VanDerWaalsContact C-N 3.3Å; Q263-N295 WeakPolarHBondContact CG-O 3.3Å; Q263-N295 PolarHBondContact NE2-O 3.02Å | ||
| 264 | V | 97.8 | Very high | 94.2 | Very high | 9 Ų | 9 | 35.5 Ų | 35.5 | 6% | 0.055 | 20% | 0.195 | C | C | . | . | trans | -66.7 | 131.4 | 169.6 | 170.4 | 0 | 0 | 0 | 0 | 110.1 | P234 T266 Y290 N294 G296 I297 | P234-V264 HydrophobicContact CG-CG2 3.69Å; V264-T266 HydrophobicContact CG1-CG2 4.32Å; V264-Y290 HydrophobicContact CG1-CD1 3.84Å; V264-Y290 HydrophobicContact CG1-CE1 3.68Å; V264-N294 HydrophobicContact CB-CB 4.38Å; V264-N294 HydrophobicContact CG2-CB 3.87Å; V264-G296 CarbonylContact O-C 3.34Å; V264-G296 WeakPolarHBondContact O-CA 3.33Å; V264-I297 PolarHBondContact O-N 2.94Å | ||
| 265 | R | 98.6 | Very high | 94 | Very high | 26 Ų | 26 | 29.7 Ų | 29.7 | 10% | 0.098 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 121.4 | 176.8 | -61.9 | 171.4 | 72 | 140.2 | -5.6 | 110 | T260 I297 E449 H450 I451 T452 H453 | T260-R265 VanDerWaalsContact CG2-CD 3.4Å; R265-I297 WeakPolarHBondContact CA-O 3.47Å; R265-I297 HydrophobicContact CB-CG1 4.41Å; R265-I297 HydrophobicContact CG-CD1 3.96Å; R265-I297 HydrophobicContact CG-CG1 3.71Å; R265-E449 PolarHBondContact NE-O 3.38Å; R265-E449 PolarHBondContact NH2-O 2.83Å; R265-H450 WeakPolarHBondContact CD-O 3.36Å; R265-I451 HydrophobicContact CB-CD1 4.49Å; R265-T452 HydrophobicContact CB-CG2 4.33Å; R265-T452 PolarHBondContact N-OG1 2.97Å; R265-T452 PolarHBondContact O-N 3.46Å; R265-T452 PolarHBondContact O-OG1 3.39Å; R265-H453 PolarHBondContact O-N 3.32Å |
| 266 | T | 98.5 | Very high | 94 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 173.3 | 175.6 | 58.9 | 0 | 0 | 0 | 0 | 110.5 | V264 N287 Y290 I297 C298 F299 H453 L455 | V264-T266 HydrophobicContact CG1-CG2 4.32Å; T266-N287 PolarHBondContact OG1-O 3.37Å; T266-Y290 HydrophobicContact CG2-CD1 3.84Å; T266-I297 PolarHBondContact N-O 3.4Å; T266-C298 WeakPolarHBondContact O-CA 3.47Å; T266-C298 VanDerWaalsContact OG1-CB 3.31Å; T266-C298 WeakPolarHBondContact OG1-CB 3.17Å; T266-C298 PolarHBondContact OG1-SG 2.9Å; T266-C298 VanDerWaalsContact OG1-SG 3.38Å; T266-F299 PolarHBondContact O-N 3.2Å; T266-H453 HydrophobicContact CG2-CB 4.09Å; T266-L455 HydrophobicContact CG2-CD1 4.42Å |
| 267 | R | 98.4 | Very high | 93.9 | Very high | 9 Ų | 9 | 26.7 Ų | 26.7 | 3% | 0.034 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 142.5 | 172.4 | 78.2 | -62.4 | -176 | -94.6 | -1.7 | 112.5 | P269 N287 F299 D446 I451 S454 L455 | R267-P269 HydrophobicContact CG-CG 4.44Å; R267-P269 WeakPolarHBondContact O-CD 3.39Å; R267-N287 VanDerWaalsContact O-CG 3.23Å; R267-N287 PolarHBondContact O-OD1 3.36Å; R267-F299 CarbonylContact C-O 3.54Å; R267-F299 VanDerWaalsContact CA-O 3.29Å; R267-F299 WeakPolarHBondContact CA-O 3.41Å; R267-F299 HydrophobicContact CB-CB 3.96Å; R267-D446 WeakPolarHBondContact CD-OD1 3.39Å; R267-D446 IonicContact CZ-OD1 3.24Å; R267-D446 IonicContact CZ-OD2 3.77Å; R267-D446 VanDerWaalsContact CZ-OD2 3.31Å; R267-D446 IonicContact NE-OD1 3.62Å; R267-D446 PolarHBondContact NE-OD1 2.76Å; R267-D446 IonicContact NE-OD2 3.76Å; R267-D446 PolarHBondContact NE-OD2 3.02Å; R267-D446 IonicContact NH2-OD1 3.36Å; R267-D446 IonicContact NH2-OD2 2.89Å; R267-D446 PolarHBondContact NH2-OD2 3.35Å; R267-I451 HydrophobicContact CB-CD1 3.98Å; R267-I451 HydrophobicContact CG-CD1 4.39Å; R267-S454 VanDerWaalsContact CZ-OG 3.32Å; R267-S454 PolarHBondContact NH2-OG 3.48Å; R267-L455 PolarHBondContact NH1-O 3.26Å; R267-L455 VanDerWaalsContact NH1-O 3.15Å |
| 268 | F | 97.8 | Very high | 93.8 | Very high | 7 Ų | 7 | 23.5 Ų | 23.5 | 3% | 0.031 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 111.6 | 166.2 | 177.5 | -125.2 | 0 | 0 | 0 | 108.8 | P270 L276 A283 I284 N287 F288 F299 L300 R301 V322 | F268-P270 VanDerWaalsContact C-CD 3.41Å; F268-P270 HydrophobicContact CD1-CG 4.06Å; F268-P270 HydrophobicContact CE1-CB 4.04Å; F268-P270 HydrophobicContact CE1-CG 3.7Å; F268-P270 HydrophobicContact CZ-CB 4.01Å; F268-P270 HydrophobicContact CZ-CG 4.18Å; F268-P270 WeakPolarHBondContact O-CD 3.27Å; F268-L276 HydrophobicContact CE1-CD2 4.44Å; F268-L276 HydrophobicContact CZ-CD2 3.95Å; F268-A283 HydrophobicContact CD2-CB 4.11Å; F268-A283 HydrophobicContact CE2-CB 3.78Å; F268-I284 HydrophobicContact CD1-CG1 3.97Å; F268-I284 HydrophobicContact CD2-CG1 4.38Å; F268-I284 HydrophobicContact CE1-CD1 4.05Å; F268-I284 HydrophobicContact CE1-CG1 3.66Å; F268-I284 HydrophobicContact CE2-CG1 4.11Å; F268-I284 HydrophobicContact CG-CG1 4.33Å; F268-I284 HydrophobicContact CZ-CD1 4.19Å; F268-I284 HydrophobicContact CZ-CG1 3.75Å; F268-N287 HydrophobicContact CB-CB 4.39Å; F268-F288 HydrophobicContact CB-CD2 4.3Å; F268-F288 HydrophobicContact CB-CE2 3.52Å; F268-F288 HydrophobicContact CB-CZ 4.16Å; F268-F288 AromaticContact CD1-CE2 3.99Å; F268-F288 HydrophobicContact CD1-CE2 3.99Å; F268-F288 HydrophobicContact CG-CE2 4.04Å; F268-F299 PolarHBondContact N-O 2.81Å; F268-L300 HydrophobicContact CD1-CD1 3.71Å; F268-L300 HydrophobicContact CE1-CD1 4.34Å; F268-R301 PolarHBondContact O-N 2.9Å; F268-R301 VanDerWaalsContact O-N 3.08Å; F268-V322 HydrophobicContact CD1-CG2 4.22Å; F268-V322 HydrophobicContact CE1-CG2 4.25Å |
| 269 | P | 96 | Very high | 93.7 | Very high | 23 Ų | 23 | 19.7 Ų | 19.7 | 15% | 0.149 | 13% | 0.125 | C | C | . | . | trans | -110.2 | 75.4 | -174.3 | 38.4 | -30.2 | 0 | 0 | 0 | 114.7 | R267 R301 | R267-P269 HydrophobicContact CG-CG 4.44Å; R267-P269 WeakPolarHBondContact O-CD 3.39Å; P269-R301 WeakPolarHBondContact CA-O 3.43Å | ||
| 270 | P | 94.2 | Very high | 93.8 | Very high | 9 Ų | 9 | 19.8 Ų | 19.8 | 6% | 0.058 | 12% | 0.124 | C | C | . | . | trans | -78.7 | 151.2 | 176.6 | 33.8 | -34.9 | 0 | 0 | 0 | 112 | F268 L276 L300 F302 D303 I318 | F268-P270 VanDerWaalsContact C-CD 3.41Å; F268-P270 HydrophobicContact CD1-CG 4.06Å; F268-P270 HydrophobicContact CE1-CB 4.04Å; F268-P270 HydrophobicContact CE1-CG 3.7Å; F268-P270 HydrophobicContact CZ-CB 4.01Å; F268-P270 HydrophobicContact CZ-CG 4.18Å; F268-P270 WeakPolarHBondContact O-CD 3.27Å; P270-L276 HydrophobicContact CB-CD2 4.3Å; P270-L300 HydrophobicContact CG-CD1 3.87Å; P270-F302 HydrophobicContact CG-CD1 4.34Å; P270-F302 HydrophobicContact CG-CE1 4.34Å; P270-F302 WeakPolarHBondContact O-CA 3.29Å; P270-D303 PolarHBondContact O-N 2.69Å; P270-I318 HydrophobicContact CB-CD1 4.31Å; P270-I318 HydrophobicContact CB-CG2 4.42Å; P270-I318 HydrophobicContact CG-CD1 4.47Å; P270-I318 HydrophobicContact CG-CG2 3.71Å | ||
| 271 | E | 91.3 | Very high | 93.8 | Very high | 104 Ų | 104 | 19.7 Ų | 19.7 | 49% | 0.486 | 12% | 0.123 | S | C | . | . | trans | -64.4 | 135.5 | 164.2 | -67.1 | 176.4 | -163 | 0 | 0 | 109.7 | N273 G274 D303 I318 | E271-N273 PolarHBondContact O-N 3.07Å; E271-G274 PolarHBondContact O-N 3.13Å; E271-D303 HydrophobicContact CG-CB 4.46Å; E271-I318 WeakPolarHBondContact O-CD1 3.38Å | ||
| 272 | P | 88.1 | Confident | 93.8 | Very high | 7 Ų | 7 | 18 Ų | 18 | 5% | 0.045 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -24 | -176.8 | 27.2 | -35.2 | 0 | 0 | 0 | 113.2 | F302 D303 D304 F314 F315 | P272-F302 HydrophobicContact CB-CB 4.44Å; P272-F302 HydrophobicContact CB-CD1 3.77Å; P272-F302 HydrophobicContact CB-CE1 4.44Å; P272-F302 HydrophobicContact CB-CG 4.4Å; P272-D303 WeakPolarHBondContact CD-O 3.32Å; P272-D304 HydrophobicContact CG-CB 4.14Å; P272-F314 CarbonylContact O-C 3.28Å; P272-F314 WeakPolarHBondContact O-CB 3.49Å; P272-F315 HydrophobicContact CB-CD2 4.4Å; P272-F315 PolarHBondContact O-N 3.17Å |
| 273 | N | 85.3 | Confident | 93.7 | Very high | 6 Ų | 6 | 16.8 Ų | 16.8 | 3% | 0.032 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96 | 6.9 | 176.3 | -66.1 | -33.6 | 0 | 0 | 0 | 112.8 | E271 E308 E310 E311 K496 | E271-N273 PolarHBondContact O-N 3.07Å; N273-E308 WeakPolarHBondContact ND2-CB 3.34Å; N273-E308 PolarHBondContact ND2-OE2 3.33Å; N273-E310 WeakPolarHBondContact OD1-CA 3.39Å; N273-E311 PolarHBondContact OD1-N 3.49Å; N273-K496 WeakPolarHBondContact O-CD 3.25Å; N273-K496 WeakPolarHBondContact O-CE 3.13Å; N273-K496 PolarHBondContact O-NZ 2.9Å |
| 274 | G | 85.6 | Confident | 93.8 | Very high | 16 Ų | 16 | 15.7 Ų | 15.7 | 17% | 0.165 | 9% | 0.085 | C | C | . | . | trans | -76.7 | 154.7 | -177 | 0 | 0 | 0 | 0 | 0 | 113.4 | E271 | E271-G274 PolarHBondContact O-N 3.13Š| ||
| 275 | I | 92.2 | Very high | 93.5 | Very high | 10 Ų | 10 | 15.4 Ų | 15.4 | 5% | 0.051 | 8% | 0.083 | C | C | . | . | trans | -103.1 | 115.5 | 170 | -60.3 | 177.2 | 0 | 0 | 0 | 108.2 | F314 K496 I499 W511 T518 | I275-F314 HydrophobicContact CD1-CE1 3.98Å; I275-F314 HydrophobicContact CD1-CZ 4.33Å; I275-F314 HydrophobicContact CG1-CD1 4.02Å; I275-F314 HydrophobicContact CG1-CE1 3.68Å; I275-F314 HydrophobicContact CG1-CZ 4.3Å; I275-K496 HydrophobicContact CD1-CB 4.46Å; I275-K496 HydrophobicContact CD1-CG 4.03Å; I275-K496 HydrophobicContact CG1-CG 4.27Å; I275-I499 HydrophobicContact CD1-CG2 4.19Å; I275-I499 HydrophobicContact CG2-CD1 4.47Å; I275-W511 HydrophobicContact CD1-CB 4.21Å; I275-W511 HydrophobicContact CG2-CE3 4.02Å; I275-T518 HydrophobicContact CG2-CG2 3.5Å | ||
| 276 | L | 95.5 | Very high | 93.2 | Very high | 8 Ų | 8 | 14.5 Ų | 14.5 | 4% | 0.042 | 8% | 0.08 | C | C | . | . | trans | -70.9 | 141.2 | 175.9 | -59.2 | -177.1 | 0 | 0 | 0 | 110.9 | F268 P270 H280 I284 I318 M321 T518 L519 | F268-L276 HydrophobicContact CE1-CD2 4.44Å; F268-L276 HydrophobicContact CZ-CD2 3.95Å; P270-L276 HydrophobicContact CB-CD2 4.3Å; L276-H280 HydrophobicContact CB-CB 4.27Å; L276-H280 HydrophobicContact CD2-CB 3.95Å; L276-I284 HydrophobicContact CD1-CD1 4.25Å; L276-I318 HydrophobicContact CD1-CB 4.2Å; L276-I318 HydrophobicContact CD1-CG1 3.94Å; L276-I318 HydrophobicContact CD1-CG2 4.2Å; L276-I318 HydrophobicContact CD2-CG1 4.26Å; L276-I318 HydrophobicContact CG-CG1 3.84Å; L276-M321 HydrophobicContact CD1-CB 3.88Å; L276-M321 HydrophobicContact CD1-CG 4.37Å; L276-T518 CarbonylContact O-C 3.52Å; L276-T518 VanDerWaalsContact O-CA 3.28Å; L276-T518 WeakPolarHBondContact O-CA 3.46Å; L276-T518 WeakPolarHBondContact O-CB 3.31Å; L276-L519 HydrophobicContact CB-CB 4.42Å; L276-L519 HydrophobicContact CB-CD1 3.9Å; L276-L519 HydrophobicContact CB-CG 4.16Å; L276-L519 HydrophobicContact CD1-CD1 4.39Å; L276-L519 PolarHBondContact O-N 2.97Å | ||
| 277 | H | 95.2 | Very high | 93.1 | Very high | 14 Ų | 14 | 14.6 Ų | 14.6 | 7% | 0.065 | 8% | 0.08 | C | C | . | . | B | Isolated β-bridge | trans | -136.3 | 173.6 | -177 | 60.6 | 57 | 0 | 0 | 0 | 110.6 | G279 H280 A281 V494 F517 | H277-G279 PolarHBondContact ND1-N 3.29Å; H277-G279 VanDerWaalsContact ND1-N 3.13Å; H277-G279 PolarHBondContact O-N 3.46Å; H277-G279 VanDerWaalsContact O-N 3.08Å; H277-H280 AromaticContact CD2-CE1 3.43Å; H277-H280 PolarHBondContact CD2-CE1 2.89Å; H277-H280 VanDerWaalsContact CD2-CE1 3.43Å; H277-H280 AromaticContact CD2-ND1 3.34Å; H277-H280 PolarHBondContact CD2-ND1 3.4Å; H277-H280 VanDerWaalsContact CD2-ND1 3.34Å; H277-H280 AromaticContact CE1-CE1 3.54Å; H277-H280 AromaticContact CE1-ND1 3.27Å; H277-H280 PolarHBondContact CE1-ND1 2.86Å; H277-H280 VanDerWaalsContact CE1-ND1 3.27Å; H277-H280 AromaticContact CG-CE1 3.92Å; H277-H280 AromaticContact CG-ND1 3.33Å; H277-H280 VanDerWaalsContact CG-ND1 3.33Å; H277-H280 PolarHBondContact N-ND1 2.92Å; H277-H280 VanDerWaalsContact N-ND1 3.18Å; H277-H280 AromaticContact ND1-CE1 3.95Å; H277-H280 AromaticContact ND1-ND1 3.27Å; H277-H280 PolarHBondContact ND1-ND1 2.84Å; H277-H280 AromaticContact NE2-CE1 3.2Å; H277-H280 PolarHBondContact NE2-CE1 3.12Å; H277-H280 AromaticContact NE2-ND1 3.34Å; H277-H280 PolarHBondContact NE2-ND1 3.1Å; H277-H280 WeakPolarHBondContact O-CA 3.34Å; H277-H280 VanDerWaalsContact O-CB 3.25Å; H277-H280 WeakPolarHBondContact O-CB 3.34Å; H277-H280 PolarHBondContact O-N 3.07Å; H277-A281 PolarHBondContact O-N 2.77Å; H277-V494 HydrophobicContact CB-CB 4Å; H277-V494 HydrophobicContact CB-CG1 3.95Å; H277-V494 VanDerWaalsContact CD2-CB 3.48Å; H277-V494 WeakPolarHBondContact CD2-CB 3.26Å; H277-F517 WeakPolarHBondContact CA-O 3.39Å; H277-F517 WeakPolarHBondContact CB-O 3.11Å |
| 278 | I | 93.9 | Very high | 93 | Very high | 1 Ų | 1 | 14.5 Ų | 14.5 | 1% | 0.005 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -52.3 | -37.4 | -175.8 | -169.9 | 59.2 | 0 | 0 | 0 | 114.1 | H280 A281 L487 L489 F517 L522 I532 F535 L553 | I278-H280 PolarHBondContact O-N 3.16Å; I278-A281 HydrophobicContact CD1-CB 4.27Å; I278-A281 VanDerWaalsContact O-CB 3.3Å; I278-A281 WeakPolarHBondContact O-CB 3.29Å; I278-A281 PolarHBondContact O-N 2.82Å; I278-L487 HydrophobicContact CG1-CD2 4.49Å; I278-L489 HydrophobicContact CB-CD1 4.41Å; I278-L489 HydrophobicContact CG1-CD1 4.14Å; I278-L489 HydrophobicContact CG2-CD1 3.83Å; I278-L489 HydrophobicContact CG2-CG 3.91Å; I278-F517 HydrophobicContact CG2-CB 4.35Å; I278-F517 PolarHBondContact N-O 2.71Å; I278-L522 HydrophobicContact CB-CD1 4.23Å; I278-L522 HydrophobicContact CD1-CD1 3.94Å; I278-L522 HydrophobicContact CG1-CD1 4.46Å; I278-I532 HydrophobicContact CD1-CG2 4.04Å; I278-F535 HydrophobicContact CD1-CD1 4.47Å; I278-F535 HydrophobicContact CG1-CE1 4.42Å; I278-L553 HydrophobicContact CD1-CD2 4Å; I278-L553 HydrophobicContact CG1-CD2 4.25Å |
| 279 | G | 91.7 | Very high | 92.7 | Very high | 11 Ų | 11 | 14.1 Ų | 14.1 | 11% | 0.113 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -58.3 | -32.1 | 172 | 0 | 0 | 0 | 0 | 0 | 114.7 | H277 A281 K282 L487 | H277-G279 PolarHBondContact ND1-N 3.29Å; H277-G279 VanDerWaalsContact ND1-N 3.13Å; H277-G279 PolarHBondContact O-N 3.46Å; H277-G279 VanDerWaalsContact O-N 3.08Å; G279-A281 VanDerWaalsContact C-N 3.35Å; G279-K282 WeakPolarHBondContact O-CB 3.28Å; G279-K282 PolarHBondContact O-N 2.83Å; G279-L487 VanDerWaalsContact CA-O 3.26Å; G279-L487 WeakPolarHBondContact CA-O 3.41Å |
| 280 | H | 94.6 | Very high | 92.6 | Very high | 52 Ų | 52 | 13.2 Ų | 13.2 | 24% | 0.241 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -72.2 | -25.2 | 173.6 | -65.5 | 101.6 | 0 | 0 | 0 | 112.7 | L276 H277 I278 K282 A283 I284 | L276-H280 HydrophobicContact CB-CB 4.27Å; L276-H280 HydrophobicContact CD2-CB 3.95Å; H277-H280 AromaticContact CD2-CE1 3.43Å; H277-H280 PolarHBondContact CD2-CE1 2.89Å; H277-H280 VanDerWaalsContact CD2-CE1 3.43Å; H277-H280 AromaticContact CD2-ND1 3.34Å; H277-H280 PolarHBondContact CD2-ND1 3.4Å; H277-H280 VanDerWaalsContact CD2-ND1 3.34Å; H277-H280 AromaticContact CE1-CE1 3.54Å; H277-H280 AromaticContact CE1-ND1 3.27Å; H277-H280 PolarHBondContact CE1-ND1 2.86Å; H277-H280 VanDerWaalsContact CE1-ND1 3.27Å; H277-H280 AromaticContact CG-CE1 3.92Å; H277-H280 AromaticContact CG-ND1 3.33Å; H277-H280 VanDerWaalsContact CG-ND1 3.33Å; H277-H280 PolarHBondContact N-ND1 2.92Å; H277-H280 VanDerWaalsContact N-ND1 3.18Å; H277-H280 AromaticContact ND1-CE1 3.95Å; H277-H280 AromaticContact ND1-ND1 3.27Å; H277-H280 PolarHBondContact ND1-ND1 2.84Å; H277-H280 AromaticContact NE2-CE1 3.2Å; H277-H280 PolarHBondContact NE2-CE1 3.12Å; H277-H280 AromaticContact NE2-ND1 3.34Å; H277-H280 PolarHBondContact NE2-ND1 3.1Å; H277-H280 WeakPolarHBondContact O-CA 3.34Å; H277-H280 VanDerWaalsContact O-CB 3.25Å; H277-H280 WeakPolarHBondContact O-CB 3.34Å; H277-H280 PolarHBondContact O-N 3.07Å; I278-H280 PolarHBondContact O-N 3.16Å; H280-K282 PolarHBondContact O-N 3.27Å; H280-A283 WeakPolarHBondContact O-CB 3.34Å; H280-A283 PolarHBondContact O-N 2.92Å; H280-I284 WeakPolarHBondContact O-CG1 3.44Å; H280-I284 PolarHBondContact O-N 2.8Å |
| 281 | A | 94.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -61.2 | -35.4 | 172 | 0 | 0 | 0 | 0 | 0 | 111.6 | H277 I278 G279 I284 N285 L325 L519 I532 | H277-A281 PolarHBondContact O-N 2.77Å; I278-A281 HydrophobicContact CD1-CB 4.27Å; I278-A281 VanDerWaalsContact O-CB 3.3Å; I278-A281 WeakPolarHBondContact O-CB 3.29Å; I278-A281 PolarHBondContact O-N 2.82Å; G279-A281 VanDerWaalsContact C-N 3.35Å; A281-I284 PolarHBondContact O-N 3.44Å; A281-N285 VanDerWaalsContact O-CB 3.32Å; A281-N285 WeakPolarHBondContact O-CB 3.36Å; A281-N285 PolarHBondContact O-N 3.43Å; A281-N285 PolarHBondContact O-ND2 3.32Å; A281-L325 HydrophobicContact CB-CD1 4.16Å; A281-L519 HydrophobicContact CB-CD1 4.48Å; A281-L519 HydrophobicContact CB-CD2 3.88Å; A281-I532 HydrophobicContact CB-CG2 3.47Å; A281-I532 VanDerWaalsContact CB-CG2 3.47Å |
| 282 | K | 91.3 | Very high | 92.7 | Very high | 9 Ų | 9 | 13.7 Ų | 13.7 | 4% | 0.039 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -64.1 | -42.4 | 171.9 | -172.6 | 173.9 | -177.4 | 179.8 | 0 | 111.2 | G279 H280 F286 Y484 G485 L487 G540 | G279-K282 WeakPolarHBondContact O-CB 3.28Å; G279-K282 PolarHBondContact O-N 2.83Å; H280-K282 PolarHBondContact O-N 3.27Å; K282-F286 WeakPolarHBondContact O-CB 3.27Å; K282-F286 PolarHBondContact O-N 2.97Å; K282-Y484 HydrophobicContact CD-CD2 4.24Å; K282-Y484 HydrophobicContact CD-CE2 4.4Å; K282-Y484 HydrophobicContact CG-CD2 4.44Å; K282-Y484 HydrophobicContact CG-CE2 4.26Å; K282-G485 PolarHBondContact NZ-O 2.87Å; K282-L487 HydrophobicContact CB-CB 4.34Å; K282-L487 HydrophobicContact CB-CD2 4.21Å; K282-L487 HydrophobicContact CD-CB 3.87Å; K282-G540 WeakPolarHBondContact CE-O 3.27Å; K282-G540 PolarHBondContact NZ-O 2.82Å |
| 283 | A | 92.7 | Very high | 92.7 | Very high | 8 Ų | 8 | 14.1 Ų | 14.1 | 7% | 0.066 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -63.5 | -43 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | F268 H280 N287 Y484 | F268-A283 HydrophobicContact CD2-CB 4.11Å; F268-A283 HydrophobicContact CE2-CB 3.78Å; H280-A283 WeakPolarHBondContact O-CB 3.34Å; H280-A283 PolarHBondContact O-N 2.92Å; A283-N287 WeakPolarHBondContact O-CB 2.94Å; A283-N287 PolarHBondContact O-N 2.86Å; A283-N287 PolarHBondContact O-ND2 2.93Å; A283-Y484 VanDerWaalsContact CA-OH 3.27Å; A283-Y484 WeakPolarHBondContact CA-OH 3.42Å; A283-Y484 WeakPolarHBondContact CB-OH 3.36Å |
| 284 | I | 95.8 | Very high | 93 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -64.2 | -55.2 | 176.7 | -68.1 | 167.7 | 0 | 0 | 0 | 109.7 | F268 L276 H280 A281 F286 N287 F288 V322 L325 Y327 L519 | F268-I284 HydrophobicContact CD1-CG1 3.97Å; F268-I284 HydrophobicContact CD2-CG1 4.38Å; F268-I284 HydrophobicContact CE1-CD1 4.05Å; F268-I284 HydrophobicContact CE1-CG1 3.66Å; F268-I284 HydrophobicContact CE2-CG1 4.11Å; F268-I284 HydrophobicContact CG-CG1 4.33Å; F268-I284 HydrophobicContact CZ-CD1 4.19Å; F268-I284 HydrophobicContact CZ-CG1 3.75Å; L276-I284 HydrophobicContact CD1-CD1 4.25Å; H280-I284 WeakPolarHBondContact O-CG1 3.44Å; H280-I284 PolarHBondContact O-N 2.8Å; A281-I284 PolarHBondContact O-N 3.44Å; I284-F286 PolarHBondContact O-N 2.76Å; I284-N287 PolarHBondContact O-N 2.85Å; I284-F288 HydrophobicContact CB-CD2 4.39Å; I284-F288 HydrophobicContact CG2-CD2 3.79Å; I284-F288 HydrophobicContact CG2-CE2 4.29Å; I284-F288 WeakPolarHBondContact O-CB 3.27Å; I284-F288 WeakPolarHBondContact O-CD2 3.49Å; I284-F288 PolarHBondContact O-N 3.29Å; I284-V322 HydrophobicContact CD1-CG2 4.13Å; I284-V322 HydrophobicContact CG1-CG2 4.42Å; I284-L325 HydrophobicContact CB-CD1 4.28Å; I284-L325 HydrophobicContact CD1-CD1 3.94Å; I284-L325 HydrophobicContact CG2-CD1 4.01Å; I284-Y327 HydrophobicContact CG2-CD2 3.57Å; I284-Y327 HydrophobicContact CG2-CE2 4Å; I284-Y327 HydrophobicContact CG2-CG 4.45Å; I284-L519 HydrophobicContact CD1-CD1 4.13Å |
| 285 | N | 93.3 | Very high | 93.2 | Very high | 3 Ų | 3 | 21.5 Ų | 21.5 | 2% | 0.016 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -58.1 | -36.7 | 179.5 | -84.8 | -77.8 | 0 | 0 | 0 | 112.2 | L220 A281 G289 Y327 N533 C536 | L220-N285 HydrophobicContact CD2-CB 4.5Å; L220-N285 WeakPolarHBondContact CD2-OD1 3.38Å; A281-N285 VanDerWaalsContact O-CB 3.32Å; A281-N285 WeakPolarHBondContact O-CB 3.36Å; A281-N285 PolarHBondContact O-N 3.43Å; A281-N285 PolarHBondContact O-ND2 3.32Å; N285-G289 WeakPolarHBondContact O-CA 3.45Å; N285-G289 PolarHBondContact O-N 2.8Å; N285-Y327 PolarHBondContact OD1-OH 2.82Å; N285-N533 PolarHBondContact ND2-OD1 3.27Å; N285-N533 PolarHBondContact OD1-OD1 3.27Å; N285-N533 VanDerWaalsContact OD1-OD1 3.08Å; N285-C536 HydrophobicContact CB-CB 4.21Å |
| 286 | F | 91.2 | Very high | 93.3 | Very high | 7 Ų | 7 | 21.9 Ų | 21.9 | 3% | 0.031 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -74.7 | -47.2 | -179.5 | -162 | -138.5 | 0 | 0 | 0 | 112.3 | L224 L229 F231 K282 I284 Y290 L455 Y484 V541 | L224-F286 HydrophobicContact CD2-CD2 3.52Å; L224-F286 HydrophobicContact CD2-CE2 3.72Å; L229-F286 HydrophobicContact CD1-CE2 3.83Å; L229-F286 HydrophobicContact CD1-CZ 4.36Å; F231-F286 HydrophobicContact CE2-CE2 4.42Å; F231-F286 AromaticContact CE2-CZ 3.76Å; F231-F286 HydrophobicContact CE2-CZ 3.76Å; F231-F286 AromaticContact CZ-CZ 3.82Å; F231-F286 HydrophobicContact CZ-CZ 3.82Å; K282-F286 WeakPolarHBondContact O-CB 3.27Å; K282-F286 PolarHBondContact O-N 2.97Å; I284-F286 PolarHBondContact O-N 2.76Å; F286-Y290 WeakPolarHBondContact O-CB 3.37Å; F286-Y290 PolarHBondContact O-N 2.89Å; F286-L455 HydrophobicContact CD1-CB 3.92Å; F286-L455 HydrophobicContact CD1-CD1 3.59Å; F286-L455 HydrophobicContact CD1-CG 4.21Å; F286-L455 HydrophobicContact CD2-CD1 4.47Å; F286-L455 HydrophobicContact CE1-CB 4.01Å; F286-L455 HydrophobicContact CE1-CD1 3.66Å; F286-L455 HydrophobicContact CE1-CD2 3.93Å; F286-L455 HydrophobicContact CE1-CG 4.06Å; F286-L455 HydrophobicContact CE2-CD1 4.49Å; F286-L455 HydrophobicContact CG-CD1 4.02Å; F286-L455 HydrophobicContact CZ-CD1 4.11Å; F286-L455 HydrophobicContact CZ-CD2 4.37Å; F286-Y484 AromaticContact CD1-CD1 3.42Å; F286-Y484 HydrophobicContact CD1-CD1 3.42Å; F286-Y484 VanDerWaalsContact CD1-CD1 3.42Å; F286-Y484 AromaticContact CD1-CE1 3.7Å; F286-Y484 HydrophobicContact CD1-CE1 3.7Å; F286-Y484 AromaticContact CD1-CG 3.99Å; F286-Y484 HydrophobicContact CD1-CG 3.99Å; F286-Y484 AromaticContact CE1-CD1 3.62Å; F286-Y484 HydrophobicContact CE1-CD1 3.62Å; F286-Y484 HydrophobicContact CE1-CE1 4.3Å; F286-Y484 HydrophobicContact CE1-CG 4.13Å; F286-V541 HydrophobicContact CD2-CG1 4.46Å; F286-V541 HydrophobicContact CD2-CG2 3.71Å; F286-V541 HydrophobicContact CE1-CG1 4.07Å; F286-V541 HydrophobicContact CE2-CB 4.18Å; F286-V541 HydrophobicContact CE2-CG1 3.67Å; F286-V541 HydrophobicContact CE2-CG2 3.43Å; F286-V541 VanDerWaalsContact CE2-CG2 3.43Å; F286-V541 HydrophobicContact CZ-CB 4.42Å; F286-V541 HydrophobicContact CZ-CG1 3.43Å; F286-V541 VanDerWaalsContact CZ-CG1 3.43Å; F286-V541 HydrophobicContact CZ-CG2 4.11Å |
| 287 | N | 95.4 | Very high | 93.4 | Very high | 2 Ų | 2 | 22.2 Ų | 22.2 | 1% | 0.011 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -71.2 | -50.7 | -179.1 | -75.7 | -78.8 | 0 | 0 | 0 | 112.6 | T266 R267 F268 A283 I284 A291 L455 | T266-N287 PolarHBondContact OG1-O 3.37Å; R267-N287 VanDerWaalsContact O-CG 3.23Å; R267-N287 PolarHBondContact O-OD1 3.36Å; F268-N287 HydrophobicContact CB-CB 4.39Å; A283-N287 WeakPolarHBondContact O-CB 2.94Å; A283-N287 PolarHBondContact O-N 2.86Å; A283-N287 PolarHBondContact O-ND2 2.93Å; I284-N287 PolarHBondContact O-N 2.85Å; N287-A291 PolarHBondContact O-N 3.39Å; N287-L455 WeakPolarHBondContact OD1-CB 3.3Å |
| 288 | F | 96.4 | Very high | 93.6 | Very high | 7 Ų | 7 | 21.9 Ų | 21.9 | 3% | 0.031 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -75 | -41.6 | -179.9 | -69.8 | -88.7 | 0 | 0 | 0 | 111.9 | F268 I284 A291 K292 C298 L300 V322 Y327 P329 | F268-F288 HydrophobicContact CB-CD2 4.3Å; F268-F288 HydrophobicContact CB-CE2 3.52Å; F268-F288 HydrophobicContact CB-CZ 4.16Å; F268-F288 AromaticContact CD1-CE2 3.99Å; F268-F288 HydrophobicContact CD1-CE2 3.99Å; F268-F288 HydrophobicContact CG-CE2 4.04Å; I284-F288 HydrophobicContact CB-CD2 4.39Å; I284-F288 HydrophobicContact CG2-CD2 3.79Å; I284-F288 HydrophobicContact CG2-CE2 4.29Å; I284-F288 WeakPolarHBondContact O-CB 3.27Å; I284-F288 WeakPolarHBondContact O-CD2 3.49Å; I284-F288 PolarHBondContact O-N 3.29Å; F288-A291 PolarHBondContact O-N 3.48Å; F288-K292 WeakPolarHBondContact O-CB 3.4Å; F288-K292 PolarHBondContact O-N 2.83Å; F288-C298 HydrophobicContact CB-CB 4.5Å; F288-C298 HydrophobicContact CD1-CB 3.45Å; F288-C298 VanDerWaalsContact CD1-CB 3.45Å; F288-C298 VanDerWaalsContact CD1-SG 3.56Å; F288-C298 HydrophobicContact CE1-CB 3.74Å; F288-C298 VanDerWaalsContact CE1-SG 3.58Å; F288-C298 HydrophobicContact CG-CB 4Å; F288-L300 HydrophobicContact CZ-CB 4.4Å; F288-V322 HydrophobicContact CE1-CG1 4.08Å; F288-V322 HydrophobicContact CE2-CG1 3.94Å; F288-V322 HydrophobicContact CE2-CG2 4.32Å; F288-V322 HydrophobicContact CZ-CG1 3.67Å; F288-Y327 HydrophobicContact CB-CD1 3.32Å; F288-Y327 HydrophobicContact CB-CD2 4.1Å; F288-Y327 HydrophobicContact CB-CE1 3.8Å; F288-Y327 HydrophobicContact CB-CG 3.47Å; F288-Y327 VanDerWaalsContact CB-CG 3.47Å; F288-Y327 HydrophobicContact CD1-CG 4.47Å; F288-Y327 HydrophobicContact CG-CD1 4.26Å; F288-Y327 AromaticContact CG-CG 3.99Å; F288-Y327 HydrophobicContact CG-CG 3.99Å; F288-P329 HydrophobicContact CE1-CB 4.13Å; F288-P329 HydrophobicContact CZ-CB 4.5Å |
| 289 | G | 92.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -65.8 | -37.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | N285 K292 A293 | N285-G289 WeakPolarHBondContact O-CA 3.45Å; N285-G289 PolarHBondContact O-N 2.8Å; G289-K292 PolarHBondContact O-N 2.96Å; G289-A293 WeakPolarHBondContact O-CB 3.4Å; G289-A293 PolarHBondContact O-N 2.83Å |
| 290 | Y | 93.3 | Very high | 94.1 | Very high | 4 Ų | 4 | 21.7 Ų | 21.7 | 2% | 0.016 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -65.5 | -41.4 | 174.8 | -174.8 | -98.2 | 0 | 0 | 0 | 112.1 | L224 L229 F231 V264 T266 F286 N294 H453 | L224-Y290 VanDerWaalsContact O-CD2 3.22Å; L224-Y290 WeakPolarHBondContact O-CD2 3.35Å; L229-Y290 HydrophobicContact CD1-CD2 3.99Å; L229-Y290 HydrophobicContact CD1-CE2 4.11Å; F231-Y290 WeakPolarHBondContact CB-OH 3.16Å; F231-Y290 HydrophobicContact CD2-CD2 4.23Å; F231-Y290 HydrophobicContact CD2-CE1 4.41Å; F231-Y290 AromaticContact CD2-CE2 3.53Å; F231-Y290 HydrophobicContact CD2-CE2 3.53Å; F231-Y290 AromaticContact CD2-CZ 3.63Å; F231-Y290 HydrophobicContact CE2-CD2 4.49Å; F231-Y290 HydrophobicContact CE2-CE2 4.21Å; F231-Y290 HydrophobicContact CG-CE2 4.48Å; V264-Y290 HydrophobicContact CG1-CD1 3.84Å; V264-Y290 HydrophobicContact CG1-CE1 3.68Å; T266-Y290 HydrophobicContact CG2-CD1 3.84Å; F286-Y290 WeakPolarHBondContact O-CB 3.37Å; F286-Y290 PolarHBondContact O-N 2.89Å; Y290-N294 WeakPolarHBondContact CD2-ND2 3.38Å; Y290-N294 WeakPolarHBondContact CE2-ND2 3.18Å; Y290-N294 PolarHBondContact O-N 3.25Å; Y290-N294 PolarHBondContact O-ND2 3.34Å; Y290-H453 HydrophobicContact CD1-CB 4.45Å; Y290-H453 HydrophobicContact CE1-CB 4.13Å; Y290-H453 AromaticContact CE1-CD2 3.56Å; Y290-H453 AromaticContact CE1-CE1 3.77Å; Y290-H453 AromaticContact CE1-CG 3.53Å; Y290-H453 AromaticContact CE1-ND1 3.64Å; Y290-H453 AromaticContact CE1-NE2 3.72Å; Y290-H453 AromaticContact CZ-CD2 3.75Å; Y290-H453 AromaticContact CZ-NE2 3.68Å; Y290-H453 PolarHBondContact OH-CD2 2.99Å; Y290-H453 PolarHBondContact OH-CE1 2.9Å; Y290-H453 PolarHBondContact OH-NE2 3.06Å |
| 291 | A | 94.9 | Very high | 94.3 | Very high | 2 Ų | 2 | 19.2 Ų | 19.2 | 2% | 0.017 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -59.7 | -52.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | N287 F288 A293 N294 N295 G296 C298 | N287-A291 PolarHBondContact O-N 3.39Å; F288-A291 PolarHBondContact O-N 3.48Å; A291-A293 VanDerWaalsContact C-N 3.32Å; A291-A293 PolarHBondContact O-N 2.82Å; A291-N294 CarbonylContact O-C 3.57Å; A291-N294 PolarHBondContact O-N 2.77Å; A291-N294 VanDerWaalsContact O-N 3.13Å; A291-N295 PolarHBondContact O-N 3.44Å; A291-G296 WeakPolarHBondContact O-CA 3.48Å; A291-G296 PolarHBondContact O-N 3.47Å; A291-C298 HydrophobicContact CB-CB 4Å |
| 292 | K | 92.3 | Very high | 94.3 | Very high | 120 Ų | 120 | 19.2 Ų | 19.2 | 52% | 0.522 | 10% | 0.103 | S | C | . | . | H | α-helix | trans | -57.9 | -43 | -179.8 | -161.9 | 179.3 | -177 | 170.7 | 0 | 112.2 | M221 F288 G289 N294 | M221-K292 HydrophobicContact CE-CB 3.96Å; M221-K292 HydrophobicContact CE-CD 4.1Å; M221-K292 HydrophobicContact CE-CG 3.71Å; M221-K292 HydrophobicContact SD-CB 4.31Å; M221-K292 HydrophobicContact SD-CD 4.3Å; M221-K292 HydrophobicContact SD-CG 4.37Å; F288-K292 WeakPolarHBondContact O-CB 3.4Å; F288-K292 PolarHBondContact O-N 2.83Å; G289-K292 PolarHBondContact O-N 2.96Å; K292-N294 PolarHBondContact O-N 3.19Å |
| 293 | A | 89.3 | Confident | 94.5 | Very high | 16 Ų | 16 | 19.2 Ų | 19.2 | 13% | 0.132 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -69.8 | -18 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114 | M221 L224 G289 A291 | M221-A293 VanDerWaalsContact CE-CA 3.44Å; M221-A293 HydrophobicContact CE-CB 3.9Å; M221-A293 WeakPolarHBondContact O-CB 3.44Å; M221-A293 HydrophobicContact SD-CB 4.1Å; L224-A293 HydrophobicContact CB-CB 3.94Å; G289-A293 WeakPolarHBondContact O-CB 3.4Å; G289-A293 PolarHBondContact O-N 2.83Å; A291-A293 VanDerWaalsContact C-N 3.32Å; A291-A293 PolarHBondContact O-N 2.82Å |
| 294 | N | 90.8 | Very high | 94.6 | Very high | 41 Ų | 41 | 18.9 Ų | 18.9 | 22% | 0.219 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125.1 | 30 | -176 | -59.7 | -85.8 | 0 | 0 | 0 | 112.1 | L224 G226 V264 Y290 A291 K292 G296 | L224-N294 PolarHBondContact O-ND2 3.48Å; G226-N294 PolarHBondContact N-OD1 2.89Å; V264-N294 HydrophobicContact CB-CB 4.38Å; V264-N294 HydrophobicContact CG2-CB 3.87Å; Y290-N294 WeakPolarHBondContact CD2-ND2 3.38Å; Y290-N294 WeakPolarHBondContact CE2-ND2 3.18Å; Y290-N294 PolarHBondContact O-N 3.25Å; Y290-N294 PolarHBondContact O-ND2 3.34Å; A291-N294 CarbonylContact O-C 3.57Å; A291-N294 PolarHBondContact O-N 2.77Å; A291-N294 VanDerWaalsContact O-N 3.13Å; K292-N294 PolarHBondContact O-N 3.19Å; N294-G296 PolarHBondContact O-N 3.27Å; N294-G296 VanDerWaalsContact O-N 3.13Å |
| 295 | N | 89.8 | Confident | 94.4 | Very high | 137 Ų | 137 | 19.5 Ų | 19.5 | 73% | 0.733 | 10% | 0.104 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 36.6 | 177.5 | -57.9 | 98.4 | 0 | 0 | 0 | 113.5 | Q263 A291 | Q263-N295 WeakPolarHBondContact CG-O 3.3Å; Q263-N295 PolarHBondContact NE2-O 3.02Å; A291-N295 PolarHBondContact O-N 3.44Å |
| 296 | G | 94.6 | Very high | 94.2 | Very high | 17 Ų | 17 | 22 Ų | 22 | 18% | 0.175 | 12% | 0.118 | C | C | . | . | trans | -107 | -178.3 | -177 | 0 | 0 | 0 | 0 | 0 | 114 | V264 A291 N294 | V264-G296 CarbonylContact O-C 3.34Å; V264-G296 WeakPolarHBondContact O-CA 3.33Å; A291-G296 WeakPolarHBondContact O-CA 3.48Å; A291-G296 PolarHBondContact O-N 3.47Å; N294-G296 PolarHBondContact O-N 3.27Å; N294-G296 VanDerWaalsContact O-N 3.13Å | ||
| 297 | I | 97.7 | Very high | 93.9 | Very high | 16 Ų | 16 | 21.8 Ų | 21.8 | 8% | 0.082 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 148.6 | 176.3 | 54.7 | 169.5 | 0 | 0 | 0 | 111 | V264 R265 T266 F299 Y330 | V264-I297 PolarHBondContact O-N 2.94Å; R265-I297 WeakPolarHBondContact CA-O 3.47Å; R265-I297 HydrophobicContact CB-CG1 4.41Å; R265-I297 HydrophobicContact CG-CD1 3.96Å; R265-I297 HydrophobicContact CG-CG1 3.71Å; T266-I297 PolarHBondContact N-O 3.4Å; I297-F299 HydrophobicContact CD1-CE2 3.94Å; I297-F299 HydrophobicContact CD1-CZ 4.14Å; I297-F299 HydrophobicContact CG1-CE2 4.45Å; I297-Y330 HydrophobicContact CB-CD1 4.15Å; I297-Y330 HydrophobicContact CB-CD2 4.3Å; I297-Y330 HydrophobicContact CB-CG 3.77Å; I297-Y330 HydrophobicContact CD1-CD1 3.52Å; I297-Y330 HydrophobicContact CD1-CD2 4.4Å; I297-Y330 HydrophobicContact CD1-CE1 3.6Å; I297-Y330 HydrophobicContact CD1-CE2 4.48Å; I297-Y330 HydrophobicContact CD1-CG 3.93Å; I297-Y330 HydrophobicContact CG1-CD1 4.35Å; I297-Y330 HydrophobicContact CG1-CG 4.43Å; I297-Y330 HydrophobicContact CG2-CD1 4.47Å; I297-Y330 HydrophobicContact CG2-CD2 3.77Å; I297-Y330 HydrophobicContact CG2-CE2 4.47Å; I297-Y330 HydrophobicContact CG2-CG 3.77Å |
| 298 | C | 98.6 | Very high | 93.1 | Very high | 6 Ų | 6 | 24.9 Ų | 24.9 | 4% | 0.041 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 128.6 | 174.4 | -175.1 | 0 | 0 | 0 | 0 | 110 | T266 F288 A291 Y330 | T266-C298 WeakPolarHBondContact O-CA 3.47Å; T266-C298 VanDerWaalsContact OG1-CB 3.31Å; T266-C298 WeakPolarHBondContact OG1-CB 3.17Å; T266-C298 PolarHBondContact OG1-SG 2.9Å; T266-C298 VanDerWaalsContact OG1-SG 3.38Å; F288-C298 HydrophobicContact CB-CB 4.5Å; F288-C298 HydrophobicContact CD1-CB 3.45Å; F288-C298 VanDerWaalsContact CD1-CB 3.45Å; F288-C298 VanDerWaalsContact CD1-SG 3.56Å; F288-C298 HydrophobicContact CE1-CB 3.74Å; F288-C298 VanDerWaalsContact CE1-SG 3.58Å; F288-C298 HydrophobicContact CG-CB 4Å; A291-C298 HydrophobicContact CB-CB 4Å; C298-Y330 PolarHBondContact O-N 2.72Å |
| 299 | F | 98.7 | Very high | 91.9 | Very high | 7 Ų | 7 | 33.6 Ų | 33.6 | 3% | 0.031 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 135.9 | 172.1 | -67.1 | -96.8 | 0 | 0 | 0 | 110.2 | T266 R267 F268 I297 Y330 K331 T333 I451 | T266-F299 PolarHBondContact O-N 3.2Å; R267-F299 CarbonylContact C-O 3.54Å; R267-F299 VanDerWaalsContact CA-O 3.29Å; R267-F299 WeakPolarHBondContact CA-O 3.41Å; R267-F299 HydrophobicContact CB-CB 3.96Å; F268-F299 PolarHBondContact N-O 2.81Å; I297-F299 HydrophobicContact CD1-CE2 3.94Å; I297-F299 HydrophobicContact CD1-CZ 4.14Å; I297-F299 HydrophobicContact CG1-CE2 4.45Å; F299-Y330 HydrophobicContact CD1-CD1 4.46Å; F299-Y330 AromaticContact CE1-CD1 3.91Å; F299-Y330 HydrophobicContact CE1-CD1 3.91Å; F299-Y330 AromaticContact CE1-CE1 3.98Å; F299-Y330 HydrophobicContact CE1-CE1 3.98Å; F299-Y330 HydrophobicContact CE2-CD1 4.35Å; F299-Y330 AromaticContact CZ-CD1 3.84Å; F299-Y330 HydrophobicContact CZ-CD1 3.84Å; F299-Y330 AromaticContact CZ-CE1 3.82Å; F299-Y330 HydrophobicContact CZ-CE1 3.82Å; F299-K331 HydrophobicContact CD1-CB 3.98Å; F299-K331 HydrophobicContact CE1-CB 3.99Å; F299-K331 HydrophobicContact CE1-CD 4.49Å; F299-T333 HydrophobicContact CD1-CG2 4.04Å; F299-T333 HydrophobicContact CE1-CG2 4.49Å; F299-I451 HydrophobicContact CD2-CD1 3.89Å; F299-I451 HydrophobicContact CE2-CD1 4.34Å |
| 300 | L | 98.3 | Very high | 90.6 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 97.4 | 160.5 | 174.9 | 61.4 | 0 | 0 | 0 | 107 | F268 P270 F288 F302 I318 V322 P329 K331 V332 T333 | F268-L300 HydrophobicContact CD1-CD1 3.71Å; F268-L300 HydrophobicContact CE1-CD1 4.34Å; P270-L300 HydrophobicContact CG-CD1 3.87Å; F288-L300 HydrophobicContact CZ-CB 4.4Å; L300-F302 HydrophobicContact CD2-CE2 3.91Å; L300-F302 HydrophobicContact CD2-CZ 4.04Å; L300-F302 HydrophobicContact CG-CD2 4.48Å; L300-F302 HydrophobicContact CG-CE2 3.92Å; L300-F302 HydrophobicContact CG-CZ 4.26Å; L300-I318 HydrophobicContact CD1-CG2 4.24Å; L300-V322 HydrophobicContact CD1-CG2 4.45Å; L300-P329 HydrophobicContact CB-CB 3.62Å; L300-P329 HydrophobicContact CB-CG 4.18Å; L300-P329 HydrophobicContact CD2-CG 4.4Å; L300-K331 PolarHBondContact N-O 3.01Å; L300-K331 VanDerWaalsContact N-O 3.08Å; L300-V332 HydrophobicContact CB-CG2 4.4Å; L300-V332 HydrophobicContact CD2-CG2 4.29Å; L300-V332 WeakPolarHBondContact O-CA 3.37Å; L300-T333 PolarHBondContact O-N 3.3Å |
| 301 | R | 98.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 103 | -174.5 | -176.2 | 176 | 65.7 | -152.8 | 5.6 | 110.8 | F268 P269 D303 T333 H442 C445 D446 E449 | F268-R301 PolarHBondContact O-N 2.9Å; F268-R301 VanDerWaalsContact O-N 3.08Å; P269-R301 WeakPolarHBondContact CA-O 3.43Å; R301-D303 PolarHBondContact O-N 2.65Å; R301-T333 CarbonylContact C-O 3.55Å; R301-T333 VanDerWaalsContact CA-O 3.3Å; R301-T333 WeakPolarHBondContact CA-O 3.27Å; R301-T333 WeakPolarHBondContact CB-OG1 3.5Å; R301-T333 WeakPolarHBondContact CG-OG1 3.35Å; R301-H442 PolarHBondContact NH2-ND1 3.02Å; R301-H442 VanDerWaalsContact NH2-ND1 3.1Å; R301-C445 VanDerWaalsContact NH1-C 3.31Å; R301-C445 VanDerWaalsContact NH1-CB 3.32Å; R301-C445 PolarHBondContact NH1-O 3.1Å; R301-D446 IonicContact CZ-OD1 3.67Å; R301-D446 VanDerWaalsContact CZ-OD1 3.24Å; R301-D446 IonicContact NH1-OD1 3.93Å; R301-D446 PolarHBondContact NH1-OD1 2.82Å; R301-D446 IonicContact NH2-OD1 3.15Å; R301-D446 PolarHBondContact NH2-OD1 3.44Å; R301-E449 WeakPolarHBondContact CD-OE2 3.32Å; R301-E449 IonicContact CZ-OE2 3.58Å; R301-E449 IonicContact NE-OE2 2.8Å; R301-E449 IonicContact NH1-OE2 2.67Å; R301-E449 PolarHBondContact NH1-OE2 2.69Å |
| 302 | F | 95.9 | Very high | 89 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 128.2 | 178.2 | -73.5 | -81.3 | 0 | 0 | 0 | 111.4 | P270 P272 L300 D304 F315 I318 V332 T333 Y334 A335 | P270-F302 HydrophobicContact CG-CD1 4.34Å; P270-F302 HydrophobicContact CG-CE1 4.34Å; P270-F302 WeakPolarHBondContact O-CA 3.29Å; P272-F302 HydrophobicContact CB-CB 4.44Å; P272-F302 HydrophobicContact CB-CD1 3.77Å; P272-F302 HydrophobicContact CB-CE1 4.44Å; P272-F302 HydrophobicContact CB-CG 4.4Å; L300-F302 HydrophobicContact CD2-CE2 3.91Å; L300-F302 HydrophobicContact CD2-CZ 4.04Å; L300-F302 HydrophobicContact CG-CD2 4.48Å; L300-F302 HydrophobicContact CG-CE2 3.92Å; L300-F302 HydrophobicContact CG-CZ 4.26Å; F302-D304 VanDerWaalsContact C-N 3.32Å; F302-D304 PolarHBondContact O-N 2.72Å; F302-D304 VanDerWaalsContact O-N 3.14Å; F302-F315 HydrophobicContact CD1-CD2 4.03Å; F302-F315 HydrophobicContact CD1-CE2 4.16Å; F302-F315 HydrophobicContact CD2-CD2 4.19Å; F302-F315 AromaticContact CD2-CE2 3.49Å; F302-F315 HydrophobicContact CD2-CE2 3.49Å; F302-F315 VanDerWaalsContact CD2-CE2 3.49Å; F302-F315 HydrophobicContact CD2-CZ 4.33Å; F302-F315 AromaticContact CE1-CD2 3.61Å; F302-F315 HydrophobicContact CE1-CD2 3.61Å; F302-F315 AromaticContact CE1-CE2 3.84Å; F302-F315 HydrophobicContact CE1-CE2 3.84Å; F302-F315 HydrophobicContact CE1-CG 4.49Å; F302-F315 AromaticContact CE2-CD2 3.82Å; F302-F315 HydrophobicContact CE2-CD2 3.82Å; F302-F315 AromaticContact CE2-CE2 3.13Å; F302-F315 HydrophobicContact CE2-CE2 3.13Å; F302-F315 AromaticContact CE2-CZ 3.69Å; F302-F315 HydrophobicContact CE2-CZ 3.69Å; F302-F315 HydrophobicContact CG-CD2 4.27Å; F302-F315 AromaticContact CG-CE2 3.98Å; F302-F315 HydrophobicContact CG-CE2 3.98Å; F302-F315 AromaticContact CZ-CD2 3.5Å; F302-F315 HydrophobicContact CZ-CD2 3.5Å; F302-F315 VanDerWaalsContact CZ-CD2 3.5Å; F302-F315 AromaticContact CZ-CE2 3.31Å; F302-F315 HydrophobicContact CZ-CE2 3.31Å; F302-F315 HydrophobicContact CZ-CG 4.32Å; F302-F315 AromaticContact CZ-CZ 3.97Å; F302-F315 HydrophobicContact CZ-CZ 3.97Å; F302-I318 HydrophobicContact CE1-CB 4.05Å; F302-I318 HydrophobicContact CE1-CD1 3.88Å; F302-I318 HydrophobicContact CE1-CG2 3.69Å; F302-I318 HydrophobicContact CZ-CB 4.32Å; F302-I318 HydrophobicContact CZ-CG2 3.85Å; F302-V332 HydrophobicContact CD2-CG1 3.84Å; F302-V332 HydrophobicContact CE2-CG1 3.67Å; F302-T333 PolarHBondContact N-O 3.38Å; F302-Y334 HydrophobicContact CB-CD1 3.76Å; F302-Y334 HydrophobicContact CB-CE1 4.07Å; F302-Y334 HydrophobicContact CD2-CD1 4.39Å; F302-Y334 AromaticContact CD2-CE1 3.96Å; F302-Y334 HydrophobicContact CD2-CE1 3.96Å; F302-Y334 HydrophobicContact CG-CD1 4.41Å; F302-Y334 HydrophobicContact CG-CE1 4.23Å; F302-A335 PolarHBondContact O-N 2.79Å |
| 303 | D | 94.6 | Very high | 88.6 | Confident | 10 Ų | 10 | 42.7 Ų | 42.7 | 5% | 0.053 | 22% | 0.224 | C | C | . | . | trans | -82.2 | 81.3 | 170.9 | 180 | 16.8 | 0 | 0 | 0 | 109.9 | P270 E271 P272 R301 T305 Y438 H442 | P270-D303 PolarHBondContact O-N 2.69Å; E271-D303 HydrophobicContact CG-CB 4.46Å; P272-D303 WeakPolarHBondContact CD-O 3.32Å; R301-D303 PolarHBondContact O-N 2.65Å; D303-T305 VanDerWaalsContact C-N 3.32Å; D303-T305 WeakPolarHBondContact OD1-CB 3.45Å; D303-T305 WeakPolarHBondContact OD1-CG2 3.29Å; D303-T305 PolarHBondContact OD1-N 3.16Å; D303-T305 PolarHBondContact OD1-OG1 3.45Å; D303-Y438 WeakPolarHBondContact OD2-CD2 3.06Å; D303-H442 WeakPolarHBondContact CB-NE2 3.43Å; D303-H442 IonicContact OD1-NE2 3.8Å; D303-H442 IonicContact OD2-NE2 2.69Å; D303-H442 PolarHBondContact OD2-NE2 3.33Å | ||
| 304 | D | 94 | Very high | 88.4 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | trans | -96.8 | 31.8 | 172.7 | 64.3 | -20.5 | 0 | 0 | 0 | 111.6 | P272 F302 N306 A335 S336 H425 H426 R427 | P272-D304 HydrophobicContact CG-CB 4.14Å; F302-D304 VanDerWaalsContact C-N 3.32Å; F302-D304 PolarHBondContact O-N 2.72Å; F302-D304 VanDerWaalsContact O-N 3.14Å; D304-N306 PolarHBondContact O-N 3.04Å; D304-A335 WeakPolarHBondContact OD1-CA 3.19Å; D304-A335 WeakPolarHBondContact OD1-CB 3.42Å; D304-A335 PolarHBondContact OD1-N 3.42Å; D304-S336 PolarHBondContact OD1-N 3.46Å; D304-S336 WeakPolarHBondContact OD2-CB 3.32Å; D304-S336 PolarHBondContact OD2-OG 3.48Å; D304-H425 PolarHBondContact O-NE2 3.13Å; D304-H425 IonicContact OD2-CE1 3.26Å; D304-H425 PolarHBondContact OD2-CE1 3.27Å; D304-H425 IonicContact OD2-NE2 2.96Å; D304-H426 WeakPolarHBondContact CB-NE2 3.35Å; D304-H426 IonicContact OD2-NE2 2.77Å; D304-H426 PolarHBondContact OD2-NE2 3.13Å; D304-R427 WeakPolarHBondContact OD2-CD 3.47Å | ||
| 305 | T | 91.8 | Very high | 88.3 | Confident | 12 Ų | 12 | 42.2 Ų | 42.2 | 7% | 0.074 | 22% | 0.217 | C | C | . | . | trans | -64.4 | -27.4 | 176.7 | 52.5 | 0 | 0 | 0 | 0 | 113.3 | D303 A335 Y435 T441 | D303-T305 VanDerWaalsContact C-N 3.32Å; D303-T305 WeakPolarHBondContact OD1-CB 3.45Å; D303-T305 WeakPolarHBondContact OD1-CG2 3.29Å; D303-T305 PolarHBondContact OD1-N 3.16Å; D303-T305 PolarHBondContact OD1-OG1 3.45Å; T305-A335 HydrophobicContact CG2-CB 3.81Å; T305-Y435 WeakPolarHBondContact O-CD1 3.31Å; T305-T441 HydrophobicContact CG2-CG2 3.35Å; T305-T441 VanDerWaalsContact CG2-OG1 3.22Å; T305-T441 WeakPolarHBondContact CG2-OG1 3.46Å | ||
| 306 | N | 89.4 | Confident | 88.3 | Confident | 57 Ų | 57 | 38.3 Ų | 38.3 | 31% | 0.305 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -91.2 | 121.4 | 177.9 | -168.7 | 24.4 | 0 | 0 | 0 | 110.8 | D304 E308 K421 | D304-N306 PolarHBondContact O-N 3.04Å; N306-E308 HydrophobicContact CB-CG 4.23Å; N306-E308 VanDerWaalsContact ND2-CG 3.27Å; N306-E308 WeakPolarHBondContact ND2-CG 3.39Å; N306-E308 PolarHBondContact ND2-OE1 3.27Å; N306-E308 PolarHBondContact O-N 2.95Å; N306-K421 PolarHBondContact OD1-NZ 2.9Å |
| 307 | P | 86.1 | Confident | 88.2 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.006 | 20% | 0.197 | C | C | . | . | trans | -68.3 | 102.8 | 170.4 | 29.5 | -35.4 | 0 | 0 | 0 | 109.4 | K421 I423 H425 Y435 | P307-K421 HydrophobicContact CG-CB 3.89Å; P307-K421 HydrophobicContact CG-CD 3.74Å; P307-K421 HydrophobicContact CG-CG 4.46Å; P307-I423 HydrophobicContact CB-CB 4.24Å; P307-I423 HydrophobicContact CB-CG2 4.37Å; P307-I423 VanDerWaalsContact CB-O 3.27Å; P307-I423 WeakPolarHBondContact CB-O 3.27Å; P307-I423 HydrophobicContact CG-CB 4.38Å; P307-H425 HydrophobicContact CB-CB 4.42Å; P307-Y435 HydrophobicContact CB-CE1 4.06Å; P307-Y435 HydrophobicContact CB-CE2 4.25Å; P307-Y435 HydrophobicContact CG-CD1 4.25Å; P307-Y435 HydrophobicContact CG-CD2 3.88Å; P307-Y435 HydrophobicContact CG-CE1 4.03Å; P307-Y435 HydrophobicContact CG-CE2 3.66Å; P307-Y435 HydrophobicContact CG-CG 4.17Å | ||
| 308 | E | 78.1 | Confident | 88.1 | Confident | 68 Ų | 68 | 37.4 Ų | 37.4 | 32% | 0.318 | 19% | 0.193 | S | C | . | . | trans | -122.3 | 158.7 | 174.9 | -65.7 | -172.4 | 172.8 | 0 | 0 | 110.3 | N273 N306 E310 | N273-E308 WeakPolarHBondContact ND2-CB 3.34Å; N273-E308 PolarHBondContact ND2-OE2 3.33Å; N306-E308 HydrophobicContact CB-CG 4.23Å; N306-E308 VanDerWaalsContact ND2-CG 3.27Å; N306-E308 WeakPolarHBondContact ND2-CG 3.39Å; N306-E308 PolarHBondContact ND2-OE1 3.27Å; N306-E308 PolarHBondContact O-N 2.95Å; E308-E310 PolarHBondContact O-N 2.94Å; E308-E310 VanDerWaalsContact O-N 3.13Å | ||
| 309 | K | 70.6 | Confident | 87.9 | Confident | 190 Ų | 190 | 38.9 Ų | 38.9 | 83% | 0.826 | 20% | 0.203 | S | C | * | . | trans | -67.1 | 113.3 | 166.4 | -71.3 | -173.5 | 178.6 | -177.5 | 0 | 108 | ||||
| 310 | E | 66.6 | Low | 87.8 | Confident | 77 Ų | 77 | 42.6 Ų | 42.6 | 36% | 0.36 | 22% | 0.224 | S | C | . | . | trans | -68 | 132.4 | 179.2 | -174.7 | 174.3 | -149.6 | 0 | 0 | 110.8 | N273 E308 H426 | N273-E310 WeakPolarHBondContact OD1-CA 3.39Å; E308-E310 PolarHBondContact O-N 2.94Å; E308-E310 VanDerWaalsContact O-N 3.13Å; E310-H426 HydrophobicContact CB-CB 3.91Å; E310-H426 IonicContact OE1-CE1 3.5Å; E310-H426 IonicContact OE1-ND1 3.52Å; E310-H426 PolarHBondContact OE1-ND1 2.77Å; E310-H426 IonicContact OE2-CE1 3.61Å; E310-H426 IonicContact OE2-CG 2.71Å; E310-H426 IonicContact OE2-ND1 3.34Å; E310-H426 PolarHBondContact OE2-ND1 3.44Å | ||
| 311 | E | 72.9 | Confident | 87.8 | Confident | 71 Ų | 71 | 42.7 Ų | 42.7 | 33% | 0.332 | 22% | 0.224 | S | C | . | . | trans | -106 | 96 | 168 | -72.2 | -179.2 | -107.3 | 0 | 0 | 108.1 | N273 K313 F314 | N273-E311 PolarHBondContact OD1-N 3.49Å; E311-K313 HydrophobicContact CB-CG 4.34Å; E311-K313 PolarHBondContact O-N 3.42Å; E311-K313 WeakPolarHBondContact OE2-CE 3.28Å; E311-K313 IonicContact OE2-NZ 2.59Å; E311-K313 PolarHBondContact OE2-NZ 3.14Å; E311-F314 HydrophobicContact CB-CD2 3.63Å; E311-F314 HydrophobicContact CB-CE2 3.94Å; E311-F314 VanDerWaalsContact CD-CE2 3.46Å; E311-F314 HydrophobicContact CG-CD2 4.44Å; E311-F314 HydrophobicContact CG-CE2 4.31Å; E311-F314 PolarHBondContact O-N 3.05Å; E311-F314 WeakPolarHBondContact OE1-CE2 3.36Å; E311-F314 WeakPolarHBondContact OE2-CE2 3.44Å | ||
| 312 | A | 80.8 | Confident | 87.7 | Confident | 71 Ų | 71 | 42.7 Ų | 42.7 | 59% | 0.587 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -48.8 | -28.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | F314 F315 S316 | A312-F314 VanDerWaalsContact C-N 3.32Å; A312-F314 PolarHBondContact O-N 3.5Å; A312-F315 PolarHBondContact O-N 2.99Å; A312-S316 PolarHBondContact O-N 3.46Å; A312-S316 PolarHBondContact O-OG 2.84Å |
| 313 | K | 84.4 | Confident | 87.8 | Confident | 98 Ų | 98 | 45.8 Ų | 45.8 | 43% | 0.426 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -60.7 | -34 | 175.8 | 69 | -176.7 | -178 | -164.5 | 0 | 113.9 | E311 S316 A317 | E311-K313 HydrophobicContact CB-CG 4.34Å; E311-K313 PolarHBondContact O-N 3.42Å; E311-K313 WeakPolarHBondContact OE2-CE 3.28Å; E311-K313 IonicContact OE2-NZ 2.59Å; E311-K313 PolarHBondContact OE2-NZ 3.14Å; K313-S316 PolarHBondContact O-OG 3.26Å; K313-S316 VanDerWaalsContact O-OG 3.13Å; K313-A317 WeakPolarHBondContact O-CB 3Å; K313-A317 PolarHBondContact O-N 3.38Å; K313-A317 VanDerWaalsContact O-N 3.1Å |
| 314 | F | 85.3 | Confident | 88 | Confident | 1 Ų | 1 | 47.2 Ų | 47.2 | 0% | 0.004 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -78.6 | -39.8 | 179.6 | -65.1 | -50.6 | 0 | 0 | 0 | 111 | P272 I275 E311 A312 A317 I318 W511 | P272-F314 CarbonylContact O-C 3.28Å; P272-F314 WeakPolarHBondContact O-CB 3.49Å; I275-F314 HydrophobicContact CD1-CE1 3.98Å; I275-F314 HydrophobicContact CD1-CZ 4.33Å; I275-F314 HydrophobicContact CG1-CD1 4.02Å; I275-F314 HydrophobicContact CG1-CE1 3.68Å; I275-F314 HydrophobicContact CG1-CZ 4.3Å; E311-F314 HydrophobicContact CB-CD2 3.63Å; E311-F314 HydrophobicContact CB-CE2 3.94Å; E311-F314 VanDerWaalsContact CD-CE2 3.46Å; E311-F314 HydrophobicContact CG-CD2 4.44Å; E311-F314 HydrophobicContact CG-CE2 4.31Å; E311-F314 PolarHBondContact O-N 3.05Å; E311-F314 WeakPolarHBondContact OE1-CE2 3.36Å; E311-F314 WeakPolarHBondContact OE2-CE2 3.44Å; A312-F314 VanDerWaalsContact C-N 3.32Å; A312-F314 PolarHBondContact O-N 3.5Å; F314-A317 PolarHBondContact O-N 3Å; F314-I318 WeakPolarHBondContact O-CG1 3.37Å; F314-I318 PolarHBondContact O-N 3.35Å; F314-W511 HydrophobicContact CE1-CD2 4.25Å; F314-W511 HydrophobicContact CE1-CG 4.44Å |
| 315 | F | 87.4 | Confident | 88.1 | Confident | 46 Ų | 46 | 47.3 Ų | 47.3 | 20% | 0.202 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -57.1 | -52.2 | 173 | 177.1 | -88.8 | 0 | 0 | 0 | 111.4 | P272 F302 A312 A317 I318 C319 Y334 | P272-F315 HydrophobicContact CB-CD2 4.4Å; P272-F315 PolarHBondContact O-N 3.17Å; F302-F315 HydrophobicContact CD1-CD2 4.03Å; F302-F315 HydrophobicContact CD1-CE2 4.16Å; F302-F315 HydrophobicContact CD2-CD2 4.19Å; F302-F315 AromaticContact CD2-CE2 3.49Å; F302-F315 HydrophobicContact CD2-CE2 3.49Å; F302-F315 VanDerWaalsContact CD2-CE2 3.49Å; F302-F315 HydrophobicContact CD2-CZ 4.33Å; F302-F315 AromaticContact CE1-CD2 3.61Å; F302-F315 HydrophobicContact CE1-CD2 3.61Å; F302-F315 AromaticContact CE1-CE2 3.84Å; F302-F315 HydrophobicContact CE1-CE2 3.84Å; F302-F315 HydrophobicContact CE1-CG 4.49Å; F302-F315 AromaticContact CE2-CD2 3.82Å; F302-F315 HydrophobicContact CE2-CD2 3.82Å; F302-F315 AromaticContact CE2-CE2 3.13Å; F302-F315 HydrophobicContact CE2-CE2 3.13Å; F302-F315 AromaticContact CE2-CZ 3.69Å; F302-F315 HydrophobicContact CE2-CZ 3.69Å; F302-F315 HydrophobicContact CG-CD2 4.27Å; F302-F315 AromaticContact CG-CE2 3.98Å; F302-F315 HydrophobicContact CG-CE2 3.98Å; F302-F315 AromaticContact CZ-CD2 3.5Å; F302-F315 HydrophobicContact CZ-CD2 3.5Å; F302-F315 VanDerWaalsContact CZ-CD2 3.5Å; F302-F315 AromaticContact CZ-CE2 3.31Å; F302-F315 HydrophobicContact CZ-CE2 3.31Å; F302-F315 HydrophobicContact CZ-CG 4.32Å; F302-F315 AromaticContact CZ-CZ 3.97Å; F302-F315 HydrophobicContact CZ-CZ 3.97Å; A312-F315 PolarHBondContact O-N 2.99Å; F315-A317 VanDerWaalsContact C-N 3.33Å; F315-A317 PolarHBondContact O-N 3.15Å; F315-I318 PolarHBondContact O-N 3.49Å; F315-C319 PolarHBondContact O-N 3.23Å; F315-Y334 AromaticContact CE2-CE1 3.8Å; F315-Y334 HydrophobicContact CE2-CE1 3.8Å; F315-Y334 AromaticContact CE2-CZ 3.91Å; F315-Y334 VanDerWaalsContact CE2-OH 3.26Å; F315-Y334 WeakPolarHBondContact CE2-OH 3.15Å; F315-Y334 WeakPolarHBondContact CZ-OH 3.22Å |
| 316 | S | 90.4 | Very high | 88.3 | Confident | 54 Ų | 54 | 49.1 Ų | 49.1 | 38% | 0.378 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.6 | -41.3 | 178.3 | 63.7 | 0 | 0 | 0 | 0 | 111.5 | A312 K313 I318 C319 D320 | A312-S316 PolarHBondContact O-N 3.46Å; A312-S316 PolarHBondContact O-OG 2.84Å; K313-S316 PolarHBondContact O-OG 3.26Å; K313-S316 VanDerWaalsContact O-OG 3.13Å; S316-I318 VanDerWaalsContact C-N 3.32Å; S316-I318 PolarHBondContact O-N 3Å; S316-C319 PolarHBondContact O-N 2.99Å; S316-D320 WeakPolarHBondContact O-CB 3.46Å; S316-D320 PolarHBondContact O-N 3.23Å |
| 317 | A | 92.7 | Very high | 88.6 | Confident | 12 Ų | 12 | 47.2 Ų | 47.2 | 10% | 0.099 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.6 | -37.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | K313 F314 F315 D320 M321 W511 | K313-A317 WeakPolarHBondContact O-CB 3Å; K313-A317 PolarHBondContact O-N 3.38Å; K313-A317 VanDerWaalsContact O-N 3.1Å; F314-A317 PolarHBondContact O-N 3Å; F315-A317 VanDerWaalsContact C-N 3.33Å; F315-A317 PolarHBondContact O-N 3.15Å; A317-D320 PolarHBondContact O-N 3.24Å; A317-M321 WeakPolarHBondContact O-CB 3.23Å; A317-M321 VanDerWaalsContact O-CG 3.22Å; A317-M321 WeakPolarHBondContact O-CG 3.36Å; A317-M321 PolarHBondContact O-N 3.19Å; A317-W511 HydrophobicContact CB-CH2 3.58Å; A317-W511 HydrophobicContact CB-CZ2 4.36Å; A317-W511 HydrophobicContact CB-CZ3 4.38Å |
| 318 | I | 95.3 | Very high | 89.1 | Confident | 2 Ų | 2 | 53.2 Ų | 53.2 | 1% | 0.01 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.5 | -49.9 | 175.4 | -73.1 | 161.3 | 0 | 0 | 0 | 110.3 | P270 E271 L276 L300 F302 F314 F315 S316 D320 M321 V322 | P270-I318 HydrophobicContact CB-CD1 4.31Å; P270-I318 HydrophobicContact CB-CG2 4.42Å; P270-I318 HydrophobicContact CG-CD1 4.47Å; P270-I318 HydrophobicContact CG-CG2 3.71Å; E271-I318 WeakPolarHBondContact O-CD1 3.38Å; L276-I318 HydrophobicContact CD1-CB 4.2Å; L276-I318 HydrophobicContact CD1-CG1 3.94Å; L276-I318 HydrophobicContact CD1-CG2 4.2Å; L276-I318 HydrophobicContact CD2-CG1 4.26Å; L276-I318 HydrophobicContact CG-CG1 3.84Å; L300-I318 HydrophobicContact CD1-CG2 4.24Å; F302-I318 HydrophobicContact CE1-CB 4.05Å; F302-I318 HydrophobicContact CE1-CD1 3.88Å; F302-I318 HydrophobicContact CE1-CG2 3.69Å; F302-I318 HydrophobicContact CZ-CB 4.32Å; F302-I318 HydrophobicContact CZ-CG2 3.85Å; F314-I318 WeakPolarHBondContact O-CG1 3.37Å; F314-I318 PolarHBondContact O-N 3.35Å; F315-I318 PolarHBondContact O-N 3.49Å; S316-I318 VanDerWaalsContact C-N 3.32Å; S316-I318 PolarHBondContact O-N 3Å; I318-D320 VanDerWaalsContact C-N 3.34Å; I318-D320 PolarHBondContact O-N 3.32Å; I318-M321 PolarHBondContact O-N 3.25Å; I318-V322 WeakPolarHBondContact O-CG2 3.18Å; I318-V322 PolarHBondContact O-N 3.15Å |
| 319 | C | 94.9 | Very high | 90 | Very high | 37 Ų | 37 | 51.7 Ų | 51.7 | 25% | 0.25 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.7 | -46.2 | 176.5 | -67 | 0 | 0 | 0 | 0 | 111.4 | F315 S316 M321 V322 A323 | F315-C319 PolarHBondContact O-N 3.23Å; S316-C319 PolarHBondContact O-N 2.99Å; C319-M321 VanDerWaalsContact C-N 3.32Å; C319-M321 PolarHBondContact O-N 3.12Å; C319-V322 PolarHBondContact O-N 3.09Å; C319-A323 PolarHBondContact O-N 2.99Å |
| 320 | D | 96.3 | Very high | 91.3 | Very high | 85 Ų | 85 | 46.4 Ų | 46.4 | 46% | 0.455 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.1 | -38.7 | 178.7 | -70.9 | -18.4 | 0 | 0 | 0 | 112.2 | S316 A317 I318 W324 | S316-D320 WeakPolarHBondContact O-CB 3.46Å; S316-D320 PolarHBondContact O-N 3.23Å; A317-D320 PolarHBondContact O-N 3.24Å; I318-D320 VanDerWaalsContact C-N 3.34Å; I318-D320 PolarHBondContact O-N 3.32Å; D320-W324 WeakPolarHBondContact O-CA 3.37Å; D320-W324 WeakPolarHBondContact O-CB 3.15Å; D320-W324 PolarHBondContact O-N 2.62Å |
| 321 | M | 97.7 | Very high | 92.7 | Very high | 3 Ų | 3 | 47.7 Ų | 47.7 | 2% | 0.015 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -73.4 | -35.1 | 179.3 | -69.2 | -54.4 | 90.9 | 0 | 0 | 112.7 | L276 A317 I318 C319 W324 L325 L519 | L276-M321 HydrophobicContact CD1-CB 3.88Å; L276-M321 HydrophobicContact CD1-CG 4.37Å; A317-M321 WeakPolarHBondContact O-CB 3.23Å; A317-M321 VanDerWaalsContact O-CG 3.22Å; A317-M321 WeakPolarHBondContact O-CG 3.36Å; A317-M321 PolarHBondContact O-N 3.19Å; I318-M321 PolarHBondContact O-N 3.25Å; C319-M321 VanDerWaalsContact C-N 3.32Å; C319-M321 PolarHBondContact O-N 3.12Å; M321-W324 HydrophobicContact CE-CB 4.32Å; M321-W324 HydrophobicContact CE-CE3 4.46Å; M321-W324 HydrophobicContact SD-CE3 3.86Å; M321-W324 HydrophobicContact SD-CZ3 4.31Å; M321-L325 WeakPolarHBondContact O-CG 3.15Å; M321-L325 PolarHBondContact O-N 2.9Å; M321-L325 VanDerWaalsContact O-N 3.11Å; M321-L519 HydrophobicContact CB-CB 4.44Å; M321-L519 HydrophobicContact CB-CD1 4.2Å; M321-L519 HydrophobicContact CG-CB 3.83Å; M321-L519 HydrophobicContact CG-CD1 4.45Å; M321-L519 VanDerWaalsContact SD-C 3.59Å; M321-L519 HydrophobicContact SD-CB 3.62Å |
| 322 | V | 97.5 | Very high | 93.8 | Very high | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.006 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.6 | -49 | 172.5 | 172.3 | 0 | 0 | 0 | 0 | 109.8 | F268 I284 F288 L300 I318 C319 L325 Y327 | F268-V322 HydrophobicContact CD1-CG2 4.22Å; F268-V322 HydrophobicContact CE1-CG2 4.25Å; I284-V322 HydrophobicContact CD1-CG2 4.13Å; I284-V322 HydrophobicContact CG1-CG2 4.42Å; F288-V322 HydrophobicContact CE1-CG1 4.08Å; F288-V322 HydrophobicContact CE2-CG1 3.94Å; F288-V322 HydrophobicContact CE2-CG2 4.32Å; F288-V322 HydrophobicContact CZ-CG1 3.67Å; L300-V322 HydrophobicContact CD1-CG2 4.45Å; I318-V322 WeakPolarHBondContact O-CG2 3.18Å; I318-V322 PolarHBondContact O-N 3.15Å; C319-V322 PolarHBondContact O-N 3.09Å; V322-L325 PolarHBondContact O-N 2.81Å; V322-Y327 CarbonylContact C-O 3.59Å; V322-Y327 PolarHBondContact O-N 3.32Å |
| 323 | A | 97.4 | Very high | 94.6 | Very high | 64 Ų | 64 | 44 Ų | 44 | 53% | 0.529 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63.3 | -43.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | C319 L325 G326 Y327 | C319-A323 PolarHBondContact O-N 2.99Å; A323-L325 VanDerWaalsContact C-N 3.29Å; A323-L325 PolarHBondContact O-N 2.77Å; A323-G326 WeakPolarHBondContact O-CA 3.5Å; A323-G326 PolarHBondContact O-N 2.92Å; A323-Y327 WeakPolarHBondContact CA-O 3.36Å |
| 324 | W | 97.9 | Very high | 95.2 | Very high | 41 Ų | 41 | 41 Ų | 41 | 16% | 0.155 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.4 | -36.3 | -179.8 | 175.1 | 64 | 0 | 0 | 0 | 112.7 | D320 M321 G326 R523 F527 P529 I532 | D320-W324 WeakPolarHBondContact O-CA 3.37Å; D320-W324 WeakPolarHBondContact O-CB 3.15Å; D320-W324 PolarHBondContact O-N 2.62Å; M321-W324 HydrophobicContact CE-CB 4.32Å; M321-W324 HydrophobicContact CE-CE3 4.46Å; M321-W324 HydrophobicContact SD-CE3 3.86Å; M321-W324 HydrophobicContact SD-CZ3 4.31Å; W324-G326 PolarHBondContact O-N 2.84Å; W324-R523 HydrophobicContact CD2-CB 4.31Å; W324-R523 HydrophobicContact CD2-CG 4.22Å; W324-R523 HydrophobicContact CE3-CB 4.47Å; W324-R523 HydrophobicContact CH2-CB 3.76Å; W324-R523 HydrophobicContact CH2-CG 4.45Å; W324-R523 HydrophobicContact CZ2-CB 3.6Å; W324-R523 HydrophobicContact CZ2-CG 3.8Å; W324-R523 HydrophobicContact CZ3-CB 4.21Å; W324-F527 VanDerWaalsContact CZ2-O 3.27Å; W324-F527 WeakPolarHBondContact CZ2-O 3.4Å; W324-P529 HydrophobicContact CD2-CB 4.21Å; W324-P529 HydrophobicContact CZ2-CB 4.32Å; W324-P529 WeakPolarHBondContact O-CB 3.31Å; W324-P529 WeakPolarHBondContact O-CG 3.36Å; W324-I532 HydrophobicContact CH2-CD1 3.38Å; W324-I532 HydrophobicContact CZ3-CD1 3.6Å |
| 325 | L | 97.2 | Very high | 95.8 | Very high | 2 Ų | 2 | 40.9 Ų | 40.9 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | 2.9 | 174.1 | -66.8 | 178.3 | 0 | 0 | 0 | 113.7 | A281 I284 M321 V322 A323 Y327 L519 P529 I532 N533 | A281-L325 HydrophobicContact CB-CD1 4.16Å; I284-L325 HydrophobicContact CB-CD1 4.28Å; I284-L325 HydrophobicContact CD1-CD1 3.94Å; I284-L325 HydrophobicContact CG2-CD1 4.01Å; M321-L325 WeakPolarHBondContact O-CG 3.15Å; M321-L325 PolarHBondContact O-N 2.9Å; M321-L325 VanDerWaalsContact O-N 3.11Å; V322-L325 PolarHBondContact O-N 2.81Å; A323-L325 VanDerWaalsContact C-N 3.29Å; A323-L325 PolarHBondContact O-N 2.77Å; L325-Y327 HydrophobicContact CB-CD2 4.06Å; L325-Y327 HydrophobicContact CB-CE2 4.34Å; L325-L519 HydrophobicContact CD1-CD1 4.25Å; L325-P529 HydrophobicContact CD2-CB 4.17Å; L325-I532 HydrophobicContact CD2-CB 4.1Å; L325-I532 HydrophobicContact CD2-CD1 4.46Å; L325-I532 HydrophobicContact CD2-CG2 3.95Å; L325-N533 PolarHBondContact O-ND2 3.34Å |
| 326 | G | 95.4 | Very high | 96.3 | Very high | 50 Ų | 50 | 39 Ų | 39 | 52% | 0.515 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.9 | 23.1 | 174 | 0 | 0 | 0 | 0 | 0 | 114.6 | A323 W324 | A323-G326 WeakPolarHBondContact O-CA 3.5Å; A323-G326 PolarHBondContact O-N 2.92Å; W324-G326 PolarHBondContact O-N 2.84Å |
| 327 | Y | 96.8 | Very high | 96.6 | Very high | 18 Ų | 18 | 40 Ų | 40 | 7% | 0.071 | 23% | 0.231 | C | C | . | . | trans | -117.4 | 143.7 | 178.9 | -61.3 | -70.3 | 0 | 0 | 0 | 111.5 | I284 N285 F288 V322 A323 L325 | I284-Y327 HydrophobicContact CG2-CD2 3.57Å; I284-Y327 HydrophobicContact CG2-CE2 4Å; I284-Y327 HydrophobicContact CG2-CG 4.45Å; N285-Y327 PolarHBondContact OD1-OH 2.82Å; F288-Y327 HydrophobicContact CB-CD1 3.32Å; F288-Y327 HydrophobicContact CB-CD2 4.1Å; F288-Y327 HydrophobicContact CB-CE1 3.8Å; F288-Y327 HydrophobicContact CB-CG 3.47Å; F288-Y327 VanDerWaalsContact CB-CG 3.47Å; F288-Y327 HydrophobicContact CD1-CG 4.47Å; F288-Y327 HydrophobicContact CG-CD1 4.26Å; F288-Y327 AromaticContact CG-CG 3.99Å; F288-Y327 HydrophobicContact CG-CG 3.99Å; V322-Y327 CarbonylContact C-O 3.59Å; V322-Y327 PolarHBondContact O-N 3.32Å; A323-Y327 WeakPolarHBondContact CA-O 3.36Å; L325-Y327 HydrophobicContact CB-CD2 4.06Å; L325-Y327 HydrophobicContact CB-CE2 4.34Å | ||
| 328 | T | 95.9 | Very high | 96.9 | Very high | 126 Ų | 126 | 41.4 Ų | 41.4 | 77% | 0.773 | 23% | 0.234 | S | C | * | . | trans | -119.3 | 126.6 | 175.7 | -53.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 329 | P | 97.5 | Very high | 97 | Very high | 36 Ų | 36 | 41.5 Ų | 41.5 | 23% | 0.234 | 24% | 0.235 | C | C | . | . | trans | -67.8 | 134.3 | 172.1 | 28.3 | -32.1 | 0 | 0 | 0 | 110.9 | F288 L300 K331 V332 | F288-P329 HydrophobicContact CE1-CB 4.13Å; F288-P329 HydrophobicContact CZ-CB 4.5Å; L300-P329 HydrophobicContact CB-CB 3.62Å; L300-P329 HydrophobicContact CB-CG 4.18Å; L300-P329 HydrophobicContact CD2-CG 4.4Å; P329-K331 PolarHBondContact O-N 3.04Å; P329-V332 HydrophobicContact CB-CG2 4.35Å; P329-V332 HydrophobicContact CG-CG2 3.9Å | ||
| 330 | Y | 96.4 | Very high | 97.2 | Very high | 79 Ų | 79 | 44 Ų | 44 | 31% | 0.31 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -60.1 | -41.1 | 171 | 160.5 | -104.4 | 0 | 0 | 0 | 110.8 | H175 I297 C298 F299 | H175-Y330 AromaticContact CE1-CE2 3.9Å; H175-Y330 AromaticContact ND1-CE2 3.5Å; H175-Y330 WeakPolarHBondContact ND1-CE2 3.36Å; H175-Y330 AromaticContact ND1-CZ 3.98Å; I297-Y330 HydrophobicContact CB-CD1 4.15Å; I297-Y330 HydrophobicContact CB-CD2 4.3Å; I297-Y330 HydrophobicContact CB-CG 3.77Å; I297-Y330 HydrophobicContact CD1-CD1 3.52Å; I297-Y330 HydrophobicContact CD1-CD2 4.4Å; I297-Y330 HydrophobicContact CD1-CE1 3.6Å; I297-Y330 HydrophobicContact CD1-CE2 4.48Å; I297-Y330 HydrophobicContact CD1-CG 3.93Å; I297-Y330 HydrophobicContact CG1-CD1 4.35Å; I297-Y330 HydrophobicContact CG1-CG 4.43Å; I297-Y330 HydrophobicContact CG2-CD1 4.47Å; I297-Y330 HydrophobicContact CG2-CD2 3.77Å; I297-Y330 HydrophobicContact CG2-CE2 4.47Å; I297-Y330 HydrophobicContact CG2-CG 3.77Å; C298-Y330 PolarHBondContact O-N 2.72Å; F299-Y330 HydrophobicContact CD1-CD1 4.46Å; F299-Y330 AromaticContact CE1-CD1 3.91Å; F299-Y330 HydrophobicContact CE1-CD1 3.91Å; F299-Y330 AromaticContact CE1-CE1 3.98Å; F299-Y330 HydrophobicContact CE1-CE1 3.98Å; F299-Y330 HydrophobicContact CE2-CD1 4.35Å; F299-Y330 AromaticContact CZ-CD1 3.84Å; F299-Y330 HydrophobicContact CZ-CD1 3.84Å; F299-Y330 AromaticContact CZ-CE1 3.82Å; F299-Y330 HydrophobicContact CZ-CE1 3.82Å |
| 331 | K | 95.8 | Very high | 97.3 | Very high | 105 Ų | 105 | 44 Ų | 44 | 46% | 0.457 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 140.5 | 174.4 | -167.3 | 171.9 | -68.2 | -174 | 0 | 109.8 | F299 L300 P329 T333 | F299-K331 HydrophobicContact CD1-CB 3.98Å; F299-K331 HydrophobicContact CE1-CB 3.99Å; F299-K331 HydrophobicContact CE1-CD 4.49Å; L300-K331 PolarHBondContact N-O 3.01Å; L300-K331 VanDerWaalsContact N-O 3.08Å; P329-K331 PolarHBondContact O-N 3.04Å; K331-T333 HydrophobicContact CB-CG2 4.46Å; K331-T333 HydrophobicContact CD-CG2 3.97Å; K331-T333 HydrophobicContact CG-CG2 3.89Å |
| 332 | V | 97.6 | Very high | 97.4 | Very high | 59 Ų | 59 | 43.9 Ų | 43.9 | 36% | 0.358 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 121.5 | 167.2 | -177.6 | 0 | 0 | 0 | 0 | 107.8 | L300 F302 P329 Y334 | L300-V332 HydrophobicContact CB-CG2 4.4Å; L300-V332 HydrophobicContact CD2-CG2 4.29Å; L300-V332 WeakPolarHBondContact O-CA 3.37Å; F302-V332 HydrophobicContact CD2-CG1 3.84Å; F302-V332 HydrophobicContact CE2-CG1 3.67Å; P329-V332 HydrophobicContact CB-CG2 4.35Å; P329-V332 HydrophobicContact CG-CG2 3.9Å; V332-Y334 HydrophobicContact CG1-CE2 4.34Å |
| 333 | T | 97.6 | Very high | 97.4 | Very high | 6 Ų | 6 | 45.4 Ų | 45.4 | 4% | 0.037 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 166.9 | 180 | 57.1 | 0 | 0 | 0 | 0 | 110.3 | F299 L300 R301 F302 K331 E449 | F299-T333 HydrophobicContact CD1-CG2 4.04Å; F299-T333 HydrophobicContact CE1-CG2 4.49Å; L300-T333 PolarHBondContact O-N 3.3Å; R301-T333 CarbonylContact C-O 3.55Å; R301-T333 VanDerWaalsContact CA-O 3.3Å; R301-T333 WeakPolarHBondContact CA-O 3.27Å; R301-T333 WeakPolarHBondContact CB-OG1 3.5Å; R301-T333 WeakPolarHBondContact CG-OG1 3.35Å; F302-T333 PolarHBondContact N-O 3.38Å; K331-T333 HydrophobicContact CB-CG2 4.46Å; K331-T333 HydrophobicContact CD-CG2 3.97Å; K331-T333 HydrophobicContact CG-CG2 3.89Å; T333-E449 WeakPolarHBondContact CB-OE1 3.32Å; T333-E449 PolarHBondContact OG1-OE1 2.67Å |
| 334 | Y | 97.1 | Very high | 97.5 | Very high | 33 Ų | 33 | 44.4 Ų | 44.4 | 13% | 0.129 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 145.1 | 178.1 | -59.3 | -99.1 | 0 | 0 | 0 | 109.3 | F302 F315 V332 S336 D337 R427 | F302-Y334 HydrophobicContact CB-CD1 3.76Å; F302-Y334 HydrophobicContact CB-CE1 4.07Å; F302-Y334 HydrophobicContact CD2-CD1 4.39Å; F302-Y334 AromaticContact CD2-CE1 3.96Å; F302-Y334 HydrophobicContact CD2-CE1 3.96Å; F302-Y334 HydrophobicContact CG-CD1 4.41Å; F302-Y334 HydrophobicContact CG-CE1 4.23Å; F315-Y334 AromaticContact CE2-CE1 3.8Å; F315-Y334 HydrophobicContact CE2-CE1 3.8Å; F315-Y334 AromaticContact CE2-CZ 3.91Å; F315-Y334 VanDerWaalsContact CE2-OH 3.26Å; F315-Y334 WeakPolarHBondContact CE2-OH 3.15Å; F315-Y334 WeakPolarHBondContact CZ-OH 3.22Å; V332-Y334 HydrophobicContact CG1-CE2 4.34Å; Y334-S336 PolarHBondContact O-N 3.21Å; Y334-D337 PolarHBondContact N-OD2 3.46Å; Y334-D337 VanDerWaalsContact O-CB 3.32Å; Y334-D337 WeakPolarHBondContact O-CB 3.25Å; Y334-D337 PolarHBondContact O-N 2.98Å; Y334-D337 VanDerWaalsContact O-N 3.12Å; Y334-R427 VanDerWaalsContact CD1-CD 3.43Å |
| 335 | A | 97.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -58.9 | -33.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | F302 D304 T305 D337 Y338 T441 | F302-A335 PolarHBondContact O-N 2.79Å; D304-A335 WeakPolarHBondContact OD1-CA 3.19Å; D304-A335 WeakPolarHBondContact OD1-CB 3.42Å; D304-A335 PolarHBondContact OD1-N 3.42Å; T305-A335 HydrophobicContact CG2-CB 3.81Å; A335-D337 PolarHBondContact O-N 2.76Å; A335-Y338 PolarHBondContact O-N 3.28Å; A335-T441 HydrophobicContact CB-CG2 3.64Å |
| 336 | S | 96.9 | Very high | 97.6 | Very high | 7 Ų | 7 | 44.2 Ų | 44.2 | 5% | 0.049 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -64.9 | -22.2 | 176.6 | 68.4 | 0 | 0 | 0 | 0 | 114.7 | D304 Y334 Y338 F339 H425 R427 | D304-S336 PolarHBondContact OD1-N 3.46Å; D304-S336 WeakPolarHBondContact OD2-CB 3.32Å; D304-S336 PolarHBondContact OD2-OG 3.48Å; Y334-S336 PolarHBondContact O-N 3.21Å; S336-Y338 PolarHBondContact O-N 2.91Å; S336-Y338 VanDerWaalsContact O-N 3.14Å; S336-F339 VanDerWaalsContact CB-CE2 3.46Å; S336-F339 PolarHBondContact O-N 3.05Å; S336-H425 VanDerWaalsContact CB-CE1 3.49Å; S336-H425 WeakPolarHBondContact CB-CE1 3.36Å; S336-R427 PolarHBondContact OG-NE 3.28Å |
| 337 | D | 97.8 | Very high | 97.8 | Very high | 74 Ų | 74 | 42.6 Ų | 42.6 | 40% | 0.396 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -61.3 | -22 | 172.6 | -60.9 | -27.1 | 0 | 0 | 0 | 111 | Y334 A335 R427 | Y334-D337 PolarHBondContact N-OD2 3.46Å; Y334-D337 VanDerWaalsContact O-CB 3.32Å; Y334-D337 WeakPolarHBondContact O-CB 3.25Å; Y334-D337 PolarHBondContact O-N 2.98Å; Y334-D337 VanDerWaalsContact O-N 3.12Å; A335-D337 PolarHBondContact O-N 2.76Å; D337-R427 IonicContact OD1-CZ 2.74Å; D337-R427 IonicContact OD1-NE 2.66Å; D337-R427 IonicContact OD1-NH2 2.91Å; D337-R427 PolarHBondContact OD1-NH2 3.01Å |
| 338 | Y | 98.5 | Very high | 97.8 | Very high | 41 Ų | 41 | 44.2 Ų | 44.2 | 16% | 0.161 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -105.9 | 3.7 | -174.9 | -52.5 | -55.9 | 0 | 0 | 0 | 114.4 | A335 S336 D340 Q341 L342 C445 I448 E449 | A335-Y338 PolarHBondContact O-N 3.28Å; S336-Y338 PolarHBondContact O-N 2.91Å; S336-Y338 VanDerWaalsContact O-N 3.14Å; Y338-D340 VanDerWaalsContact C-N 3.3Å; Y338-D340 PolarHBondContact O-N 2.83Å; Y338-Q341 PolarHBondContact O-N 2.95Å; Y338-L342 WeakPolarHBondContact O-CB 3.27Å; Y338-L342 VanDerWaalsContact O-CG 3.28Å; Y338-L342 WeakPolarHBondContact O-CG 3.4Å; Y338-L342 PolarHBondContact O-N 3.34Å; Y338-C445 HydrophobicContact CD2-CB 4.15Å; Y338-C445 VanDerWaalsContact CD2-SG 3.53Å; Y338-C445 HydrophobicContact CE2-CB 4.44Å; Y338-I448 HydrophobicContact CD1-CD1 4.04Å; Y338-I448 HydrophobicContact CD1-CG2 3.76Å; Y338-I448 HydrophobicContact CE1-CG2 3.56Å; Y338-I448 HydrophobicContact CG-CD1 3.95Å; Y338-E449 HydrophobicContact CE2-CG 4.23Å; Y338-E449 WeakPolarHBondContact CE2-OE1 3.2Å; Y338-E449 WeakPolarHBondContact OH-CG 3.21Å; Y338-E449 PolarHBondContact OH-OE1 3.2Å |
| 339 | F | 98.6 | Very high | 98 | Very high | 5 Ų | 5 | 38.2 Ų | 38.2 | 2% | 0.022 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -56.1 | -38.9 | -176 | -74.4 | -15.3 | 0 | 0 | 0 | 114.1 | S336 L342 Y343 T428 W432 Y435 P436 | S336-F339 VanDerWaalsContact CB-CE2 3.46Å; S336-F339 PolarHBondContact O-N 3.05Å; F339-L342 HydrophobicContact CD1-CD1 4.25Å; F339-L342 PolarHBondContact O-N 3.24Å; F339-Y343 WeakPolarHBondContact O-CB 3.38Å; F339-Y343 PolarHBondContact O-N 2.87Å; F339-T428 HydrophobicContact CD2-CG2 4.28Å; F339-W432 HydrophobicContact CB-CZ2 4.01Å; F339-W432 AromaticContact CD2-CD1 3.78Å; F339-W432 HydrophobicContact CD2-CG 4.33Å; F339-W432 AromaticContact CD2-NE1 3.94Å; F339-Y435 HydrophobicContact CE2-CD1 4.05Å; F339-Y435 HydrophobicContact CE2-CE1 4.01Å; F339-Y435 AromaticContact CZ-CD1 3.98Å; F339-Y435 HydrophobicContact CZ-CD1 3.98Å; F339-Y435 HydrophobicContact CZ-CE1 4.35Å; F339-P436 HydrophobicContact CD1-CG 3.98Å; F339-P436 HydrophobicContact CE1-CG 3.87Å |
| 340 | D | 98.6 | Very high | 98 | Very high | 88 Ų | 88 | 36.6 Ų | 36.6 | 47% | 0.471 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -62.3 | -44.6 | 177.3 | -68.7 | -51.6 | 0 | 0 | 0 | 111.3 | Y338 Y343 A344 K431 W432 | Y338-D340 VanDerWaalsContact C-N 3.3Å; Y338-D340 PolarHBondContact O-N 2.83Å; D340-Y343 PolarHBondContact O-N 2.89Å; D340-A344 PolarHBondContact O-N 3.34Å; D340-K431 VanDerWaalsContact CG-NZ 3.31Å; D340-K431 IonicContact OD1-NZ 3.09Å; D340-K431 PolarHBondContact OD1-NZ 3.15Å; D340-K431 IonicContact OD2-NZ 3.6Å; D340-K431 PolarHBondContact OD2-NZ 3.33Å; D340-W432 VanDerWaalsContact OD1-CZ2 3.23Å; D340-W432 WeakPolarHBondContact OD1-CZ2 3.34Å |
| 341 | Q | 98.4 | Very high | 98.1 | Very high | 86 Ų | 86 | 40 Ų | 40 | 40% | 0.402 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -71.1 | -40.7 | 179 | -174.8 | 58.1 | 57.4 | 0 | 0 | 112.2 | Y338 Y343 A344 W345 I448 | Y338-Q341 PolarHBondContact O-N 2.95Å; Q341-Y343 VanDerWaalsContact C-N 3.28Å; Q341-Y343 PolarHBondContact O-N 3.43Å; Q341-A344 PolarHBondContact O-N 3.2Å; Q341-W345 HydrophobicContact CG-CD2 4.19Å; Q341-W345 HydrophobicContact CG-CE3 4.13Å; Q341-W345 HydrophobicContact CG-CH2 4.22Å; Q341-W345 HydrophobicContact CG-CZ2 4.21Å; Q341-W345 HydrophobicContact CG-CZ3 4.16Å; Q341-W345 VanDerWaalsContact NE2-CE2 3.26Å; Q341-W345 VanDerWaalsContact NE2-NE1 3.17Å; Q341-W345 PolarHBondContact O-N 2.95Å; Q341-I448 HydrophobicContact CB-CD1 4.3Å; Q341-I448 HydrophobicContact CG-CD1 3.95Å; Q341-I448 HydrophobicContact CG-CG1 4.43Å |
| 342 | L | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.5 | -38.4 | 175.3 | -69.1 | 171.8 | 0 | 0 | 0 | 111 | Y338 F339 A346 Y418 P436 Y440 T441 L444 | Y338-L342 WeakPolarHBondContact O-CB 3.27Å; Y338-L342 VanDerWaalsContact O-CG 3.28Å; Y338-L342 WeakPolarHBondContact O-CG 3.4Å; Y338-L342 PolarHBondContact O-N 3.34Å; F339-L342 HydrophobicContact CD1-CD1 4.25Å; F339-L342 PolarHBondContact O-N 3.24Å; L342-A346 WeakPolarHBondContact O-CB 3.45Å; L342-A346 PolarHBondContact O-N 3.41Å; L342-Y418 WeakPolarHBondContact CB-OH 3.47Å; L342-Y418 PolarHBondContact O-OH 2.7Å; L342-P436 HydrophobicContact CD1-CG 4.01Å; L342-Y440 HydrophobicContact CB-CE1 4.21Å; L342-Y440 HydrophobicContact CD2-CD1 4.39Å; L342-Y440 HydrophobicContact CD2-CE1 4.1Å; L342-Y440 PolarHBondContact O-OH 2.86Å; L342-Y440 VanDerWaalsContact O-OH 3.13Å; L342-T441 HydrophobicContact CD1-CG2 4Å; L342-L444 HydrophobicContact CD2-CB 3.49Å; L342-L444 VanDerWaalsContact CD2-CB 3.49Å; L342-L444 HydrophobicContact CD2-CD1 3.93Å; L342-L444 HydrophobicContact CD2-CG 4.35Å |
| 343 | Y | 98.8 | Very high | 98.2 | Very high | 33 Ų | 33 | 38.2 Ų | 38.2 | 13% | 0.129 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -68.5 | -43.2 | 175.6 | 173.1 | -93.3 | 0 | 0 | 0 | 111.2 | F339 D340 Q341 W345 A346 V347 F387 E388 R391 Y418 W432 I434 | F339-Y343 WeakPolarHBondContact O-CB 3.38Å; F339-Y343 PolarHBondContact O-N 2.87Å; D340-Y343 PolarHBondContact O-N 2.89Å; Q341-Y343 VanDerWaalsContact C-N 3.28Å; Q341-Y343 PolarHBondContact O-N 3.43Å; Y343-W345 VanDerWaalsContact C-N 3.3Å; Y343-W345 PolarHBondContact O-N 2.91Å; Y343-A346 WeakPolarHBondContact O-CB 3.45Å; Y343-A346 PolarHBondContact O-N 2.98Å; Y343-A346 VanDerWaalsContact O-N 3.09Å; Y343-V347 HydrophobicContact CD1-CG2 4.32Å; Y343-V347 HydrophobicContact CE1-CG2 3.76Å; Y343-V347 HydrophobicContact CE2-CG2 4.24Å; Y343-V347 WeakPolarHBondContact O-CG2 3.39Å; Y343-V347 PolarHBondContact O-N 3.39Å; Y343-F387 HydrophobicContact CD2-CD1 4.47Å; Y343-F387 AromaticContact CD2-CE1 3.54Å; Y343-F387 HydrophobicContact CD2-CE1 3.54Å; Y343-F387 AromaticContact CD2-CZ 3.8Å; Y343-F387 HydrophobicContact CD2-CZ 3.8Å; Y343-F387 AromaticContact CE2-CD1 3.79Å; Y343-F387 HydrophobicContact CE2-CD1 3.79Å; Y343-F387 AromaticContact CE2-CE1 3.29Å; Y343-F387 HydrophobicContact CE2-CE1 3.29Å; Y343-F387 AromaticContact CE2-CZ 3.84Å; Y343-F387 HydrophobicContact CE2-CZ 3.84Å; Y343-E388 PolarHBondContact OH-OE2 3.09Å; Y343-R391 HydrophobicContact CE2-CB 4.28Å; Y343-R391 VanDerWaalsContact CE2-CD 3.42Å; Y343-R391 HydrophobicContact CE2-CG 4.38Å; Y343-R391 VanDerWaalsContact CZ-CD 3.47Å; Y343-Y418 VanDerWaalsContact CA-OH 3.32Å; Y343-Y418 WeakPolarHBondContact CA-OH 3.39Å; Y343-Y418 PolarHBondContact N-OH 2.9Å; Y343-W432 HydrophobicContact CD1-CH2 4.34Å; Y343-W432 HydrophobicContact CD2-CH2 4.35Å; Y343-W432 AromaticContact CD2-CZ3 3.92Å; Y343-W432 HydrophobicContact CD2-CZ3 3.92Å; Y343-W432 AromaticContact CG-CH2 3.84Å; Y343-W432 HydrophobicContact CG-CH2 3.84Å; Y343-W432 AromaticContact CG-CZ3 3.9Å; Y343-W432 HydrophobicContact CG-CZ3 3.9Å; Y343-I434 HydrophobicContact CD2-CD1 3.94Å; Y343-I434 HydrophobicContact CE2-CD1 4Å |
| 344 | A | 98.8 | Very high | 98.2 | Very high | 43 Ų | 43 | 40.2 Ų | 40.2 | 36% | 0.355 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -58.7 | -42.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | D340 Q341 V347 E348 | D340-A344 PolarHBondContact O-N 3.34Å; Q341-A344 PolarHBondContact O-N 3.2Å; A344-V347 PolarHBondContact O-N 2.92Å; A344-E348 PolarHBondContact O-N 3.25Å |
| 345 | W | 98.8 | Very high | 98.3 | Very high | 39 Ų | 39 | 38.9 Ų | 38.9 | 15% | 0.148 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -68.9 | -31.9 | 174.5 | -76.2 | -24.7 | 0 | 0 | 0 | 113.5 | Q341 Y343 E348 L349 Y440 L444 I448 L474 I476 | Q341-W345 HydrophobicContact CG-CD2 4.19Å; Q341-W345 HydrophobicContact CG-CE3 4.13Å; Q341-W345 HydrophobicContact CG-CH2 4.22Å; Q341-W345 HydrophobicContact CG-CZ2 4.21Å; Q341-W345 HydrophobicContact CG-CZ3 4.16Å; Q341-W345 VanDerWaalsContact NE2-CE2 3.26Å; Q341-W345 VanDerWaalsContact NE2-NE1 3.17Å; Q341-W345 PolarHBondContact O-N 2.95Å; Y343-W345 VanDerWaalsContact C-N 3.3Å; Y343-W345 PolarHBondContact O-N 2.91Å; W345-E348 PolarHBondContact O-N 2.97Å; W345-L349 WeakPolarHBondContact O-CG 3.45Å; W345-L349 PolarHBondContact O-N 3.14Å; W345-Y440 VanDerWaalsContact C-OH 3.3Å; W345-L444 HydrophobicContact CB-CD1 4.47Å; W345-L444 HydrophobicContact CE3-CB 3.87Å; W345-L444 HydrophobicContact CE3-CD1 3.92Å; W345-L444 HydrophobicContact CE3-CD2 3.95Å; W345-L444 HydrophobicContact CE3-CG 4.13Å; W345-L444 HydrophobicContact CZ3-CB 3.74Å; W345-L444 HydrophobicContact CZ3-CD2 4.1Å; W345-L444 HydrophobicContact CZ3-CG 4.36Å; W345-I448 HydrophobicContact CE3-CD1 4.45Å; W345-I448 HydrophobicContact CH2-CD1 3.98Å; W345-I448 HydrophobicContact CH2-CG1 3.39Å; W345-I448 HydrophobicContact CZ3-CD1 3.56Å; W345-I448 HydrophobicContact CZ3-CG1 3.49Å; W345-I448 VanDerWaalsContact CZ3-CG1 3.49Å; W345-L474 HydrophobicContact CB-CD1 3.81Å; W345-L474 HydrophobicContact CB-CD2 4.1Å; W345-L474 HydrophobicContact CD2-CD1 4.36Å; W345-L474 HydrophobicContact CG-CD1 3.98Å; W345-L474 HydrophobicContact CG-CD2 4.26Å; W345-I476 HydrophobicContact CE3-CD1 4.44Å; W345-I476 HydrophobicContact CH2-CD1 3.81Å; W345-I476 HydrophobicContact CZ2-CD1 3.97Å; W345-I476 HydrophobicContact CZ2-CG2 3.81Å; W345-I476 HydrophobicContact CZ3-CD1 4.07Å |
| 346 | A | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.1 | -42.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | L342 Y343 E348 L349 I350 F387 L402 Y418 Y440 | L342-A346 WeakPolarHBondContact O-CB 3.45Å; L342-A346 PolarHBondContact O-N 3.41Å; Y343-A346 WeakPolarHBondContact O-CB 3.45Å; Y343-A346 PolarHBondContact O-N 2.98Å; Y343-A346 VanDerWaalsContact O-N 3.09Å; A346-E348 VanDerWaalsContact C-N 3.33Å; A346-E348 PolarHBondContact O-N 3.26Å; A346-L349 PolarHBondContact O-N 2.92Å; A346-I350 WeakPolarHBondContact O-CG1 3.31Å; A346-I350 PolarHBondContact O-N 3.34Å; A346-I350 VanDerWaalsContact O-N 3.17Å; A346-F387 HydrophobicContact CB-CE1 3.81Å; A346-F387 HydrophobicContact CB-CZ 3.95Å; A346-L402 HydrophobicContact CB-CD2 3.78Å; A346-Y418 HydrophobicContact CB-CD2 4.14Å; A346-Y418 HydrophobicContact CB-CE2 3.5Å; A346-Y418 VanDerWaalsContact CB-CE2 3.5Å; A346-Y440 VanDerWaalsContact CA-OH 3.29Å; A346-Y440 WeakPolarHBondContact CA-OH 3.46Å; A346-Y440 PolarHBondContact N-OH 3.24Å |
| 347 | V | 98.8 | Very high | 98.4 | Very high | 16 Ų | 16 | 38.7 Ų | 38.7 | 10% | 0.097 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.5 | -42.2 | 173.2 | 173.7 | 0 | 0 | 0 | 0 | 111.1 | Y343 A344 L349 I350 R351 L384 F387 | Y343-V347 HydrophobicContact CD1-CG2 4.32Å; Y343-V347 HydrophobicContact CE1-CG2 3.76Å; Y343-V347 HydrophobicContact CE2-CG2 4.24Å; Y343-V347 WeakPolarHBondContact O-CG2 3.39Å; Y343-V347 PolarHBondContact O-N 3.39Å; A344-V347 PolarHBondContact O-N 2.92Å; V347-L349 PolarHBondContact O-N 3.41Å; V347-I350 WeakPolarHBondContact O-CB 3.37Å; V347-I350 PolarHBondContact O-N 3.25Å; V347-R351 WeakPolarHBondContact O-CG 3.16Å; V347-R351 PolarHBondContact O-N 3.11Å; V347-L384 HydrophobicContact CG1-CD2 3.81Å; V347-F387 HydrophobicContact CG2-CD1 4.09Å; V347-F387 HydrophobicContact CG2-CE1 4.13Å |
| 348 | E | 98.6 | Very high | 98.4 | Very high | 53 Ų | 53 | 35.2 Ų | 35.2 | 25% | 0.248 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.3 | -39.9 | 177.1 | -177.4 | 59.3 | -165.8 | 0 | 0 | 112.5 | A344 W345 A346 I350 R351 R352 L474 | A344-E348 PolarHBondContact O-N 3.25Å; W345-E348 PolarHBondContact O-N 2.97Å; A346-E348 VanDerWaalsContact C-N 3.33Å; A346-E348 PolarHBondContact O-N 3.26Å; E348-I350 VanDerWaalsContact C-N 3.3Å; E348-I350 PolarHBondContact O-N 2.93Å; E348-R351 PolarHBondContact O-N 3.06Å; E348-R351 IonicContact OE2-NH1 3.24Å; E348-R352 WeakPolarHBondContact O-CG 3.33Å; E348-R352 PolarHBondContact O-N 2.75Å; E348-R352 IonicContact OE1-CZ 3.58Å; E348-R352 IonicContact OE1-NE 3Å; E348-R352 PolarHBondContact OE1-NE 2.72Å; E348-R352 IonicContact OE1-NH2 3.18Å; E348-R352 PolarHBondContact OE1-NH2 3.47Å; E348-L474 HydrophobicContact CB-CD2 3.93Å; E348-L474 HydrophobicContact CG-CD2 3.82Å |
| 349 | L | 98.4 | Very high | 98.3 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.9 | -40.4 | 172.9 | -74 | 172.3 | 0 | 0 | 0 | 112.2 | W345 A346 V347 R352 G353 L354 A355 Y440 L470 A473 L474 | W345-L349 WeakPolarHBondContact O-CG 3.45Å; W345-L349 PolarHBondContact O-N 3.14Å; A346-L349 PolarHBondContact O-N 2.92Å; V347-L349 PolarHBondContact O-N 3.41Å; L349-R352 PolarHBondContact O-N 3.23Å; L349-G353 PolarHBondContact O-N 2.86Å; L349-L354 HydrophobicContact CD2-CB 4.02Å; L349-L354 HydrophobicContact CD2-CD1 4.36Å; L349-L354 WeakPolarHBondContact O-CA 3.38Å; L349-L354 PolarHBondContact O-N 3.14Å; L349-A355 HydrophobicContact CB-CB 3.77Å; L349-A355 PolarHBondContact O-N 3.11Å; L349-Y440 HydrophobicContact CD1-CE2 3.67Å; L349-L470 HydrophobicContact CD1-CD1 3.75Å; L349-A473 HydrophobicContact CD2-CB 3.84Å; L349-L474 HydrophobicContact CD2-CD1 4.46Å; L349-L474 HydrophobicContact CD2-CD2 4.07Å; L349-L474 HydrophobicContact CD2-CG 3.91Å; L349-L474 HydrophobicContact CG-CD1 4.38Å; L349-L474 HydrophobicContact CG-CD2 3.96Å; L349-L474 HydrophobicContact CG-CG 4.15Å |
| 350 | I | 98.6 | Very high | 98 | Very high | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62 | -47.8 | 175.5 | -61.7 | 166.6 | 0 | 0 | 0 | 109.7 | A346 V347 E348 R352 G353 A355 T380 L384 F387 L402 | A346-I350 WeakPolarHBondContact O-CG1 3.31Å; A346-I350 PolarHBondContact O-N 3.34Å; A346-I350 VanDerWaalsContact O-N 3.17Å; V347-I350 WeakPolarHBondContact O-CB 3.37Å; V347-I350 PolarHBondContact O-N 3.25Å; E348-I350 VanDerWaalsContact C-N 3.3Å; E348-I350 PolarHBondContact O-N 2.93Å; I350-R352 VanDerWaalsContact C-N 3.26Å; I350-R352 PolarHBondContact O-N 3.46Å; I350-G353 WeakPolarHBondContact O-CA 3.35Å; I350-G353 PolarHBondContact O-N 2.98Å; I350-A355 HydrophobicContact CG1-CB 3.99Å; I350-T380 HydrophobicContact CG2-CG2 4.19Å; I350-T380 WeakPolarHBondContact O-CG2 3.47Å; I350-L384 HydrophobicContact CB-CD2 4.02Å; I350-L384 HydrophobicContact CD1-CD2 4.44Å; I350-L384 HydrophobicContact CG2-CD2 3.76Å; I350-L384 HydrophobicContact CG2-CG 3.78Å; I350-F387 HydrophobicContact CD1-CB 3.83Å; I350-F387 HydrophobicContact CD1-CD1 3.7Å; I350-F387 HydrophobicContact CD1-CG 3.9Å; I350-L402 HydrophobicContact CD1-CD1 3.63Å; I350-L402 HydrophobicContact CD1-CD2 4.44Å; I350-L402 HydrophobicContact CG1-CD1 3.85Å |
| 351 | R | 98.4 | Very high | 97.3 | Very high | 150 Ų | 150 | 39.7 Ų | 39.7 | 57% | 0.566 | 18% | 0.184 | S | C | * | . | H | α-helix | trans | -58.3 | -37 | 178.5 | -70.8 | -178.1 | -175.6 | 133.5 | 0.7 | 113 | V347 E348 G353 L384 | V347-R351 WeakPolarHBondContact O-CG 3.16Å; V347-R351 PolarHBondContact O-N 3.11Å; E348-R351 PolarHBondContact O-N 3.06Å; E348-R351 IonicContact OE2-NH1 3.24Å; R351-G353 PolarHBondContact O-N 3.01Å; R351-L384 HydrophobicContact CG-CD1 4.33Å; R351-L384 HydrophobicContact CG-CD2 4.27Å |
| 352 | R | 98.2 | Very high | 96.3 | Very high | 94 Ų | 94 | 38.7 Ų | 38.7 | 36% | 0.355 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | -1.6 | 175.7 | -66.3 | 179.2 | -174.6 | -144.7 | -2.8 | 113.7 | E348 L349 I350 L354 A473 D475 | E348-R352 WeakPolarHBondContact O-CG 3.33Å; E348-R352 PolarHBondContact O-N 2.75Å; E348-R352 IonicContact OE1-CZ 3.58Å; E348-R352 IonicContact OE1-NE 3Å; E348-R352 PolarHBondContact OE1-NE 2.72Å; E348-R352 IonicContact OE1-NH2 3.18Å; E348-R352 PolarHBondContact OE1-NH2 3.47Å; L349-R352 PolarHBondContact O-N 3.23Å; I350-R352 VanDerWaalsContact C-N 3.26Å; I350-R352 PolarHBondContact O-N 3.46Å; R352-L354 HydrophobicContact CB-CD1 4.01Å; R352-L354 HydrophobicContact CB-CG 4Å; R352-L354 PolarHBondContact O-N 3.3Å; R352-A473 VanDerWaalsContact CD-O 3.22Å; R352-A473 WeakPolarHBondContact CD-O 3.36Å; R352-A473 PolarHBondContact NH1-O 3.08Å; R352-D475 IonicContact CZ-OD2 2.81Å; R352-D475 IonicContact NH1-OD2 2.92Å; R352-D475 PolarHBondContact NH1-OD2 2.87Å; R352-D475 IonicContact NH2-OD2 2.77Å |
| 353 | G | 97.8 | Very high | 95 | Very high | 33 Ų | 33 | 44.7 Ų | 44.7 | 34% | 0.34 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.2 | 19.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | L349 I350 R351 | L349-G353 PolarHBondContact O-N 2.86Å; I350-G353 WeakPolarHBondContact O-CA 3.35Å; I350-G353 PolarHBondContact O-N 2.98Å; R351-G353 PolarHBondContact O-N 3.01Å |
| 354 | L | 98.1 | Very high | 93.8 | Very high | 48 Ų | 48 | 48.1 Ų | 48.1 | 25% | 0.251 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -104.7 | 1.1 | -175.6 | -60.8 | 179.2 | 0 | 0 | 0 | 113.1 | L349 R352 K405 W469 A473 | L349-L354 HydrophobicContact CD2-CB 4.02Å; L349-L354 HydrophobicContact CD2-CD1 4.36Å; L349-L354 WeakPolarHBondContact O-CA 3.38Å; L349-L354 PolarHBondContact O-N 3.14Å; R352-L354 HydrophobicContact CB-CD1 4.01Å; R352-L354 HydrophobicContact CB-CG 4Å; R352-L354 PolarHBondContact O-N 3.3Å; L354-K405 WeakPolarHBondContact O-CB 3.36Å; L354-K405 PolarHBondContact O-N 2.96Å; L354-W469 HydrophobicContact CB-CH2 4.24Å; L354-W469 HydrophobicContact CB-CZ2 4.15Å; L354-W469 HydrophobicContact CD2-CZ2 4.37Å; L354-A473 HydrophobicContact CD1-CB 3.62Å |
| 355 | A | 98.3 | Very high | 92.4 | Very high | 6 Ų | 6 | 47.9 Ų | 47.9 | 5% | 0.05 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 154.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | L349 I350 L402 R403 | L349-A355 HydrophobicContact CB-CB 3.77Å; L349-A355 PolarHBondContact O-N 3.11Å; I350-A355 HydrophobicContact CG1-CB 3.99Å; A355-L402 HydrophobicContact CB-CD1 4.3Å; A355-L402 HydrophobicContact CB-CG 4.43Å; A355-R403 CarbonylContact C-O 3.6Å; A355-R403 WeakPolarHBondContact CA-O 3.16Å; A355-R403 WeakPolarHBondContact CB-O 3.26Å |
| 356 | Y | 98.4 | Very high | 90.8 | Very high | 3 Ų | 3 | 53.3 Ų | 53.3 | 1% | 0.012 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 153.9 | 179.7 | 67 | -83.7 | 0 | 0 | 0 | 111.2 | C358 S373 W375 R376 S383 R403 K405 D414 | Y356-C358 HydrophobicContact CD2-CB 4.26Å; Y356-C358 HydrophobicContact CE2-CB 3.8Å; Y356-S373 WeakPolarHBondContact OH-CB 3.49Å; Y356-W375 HydrophobicContact CD2-CB 4.36Å; Y356-W375 WeakPolarHBondContact CD2-O 3.46Å; Y356-W375 HydrophobicContact CE2-CB 4.48Å; Y356-R376 HydrophobicContact CD1-CG 4.37Å; Y356-R376 HydrophobicContact CE1-CB 4.16Å; Y356-R376 HydrophobicContact CE1-CG 3.81Å; Y356-R376 VanDerWaalsContact CE2-CA 3.48Å; Y356-R376 HydrophobicContact CE2-CB 4.17Å; Y356-S383 WeakPolarHBondContact CA-OG 3.38Å; Y356-R403 HydrophobicContact CE1-CB 4.07Å; Y356-R403 HydrophobicContact CE2-CB 4.43Å; Y356-R403 PolarHBondContact N-O 3.08Å; Y356-R403 PolarHBondContact O-N 3.27Å; Y356-K405 HydrophobicContact CD1-CB 4.1Å; Y356-K405 HydrophobicContact CD1-CD 4.42Å; Y356-K405 HydrophobicContact CD1-CG 4.28Å; Y356-K405 HydrophobicContact CE1-CB 4.32Å; Y356-K405 HydrophobicContact CE1-CG 4.36Å; Y356-D414 HydrophobicContact CE1-CB 4.1Å; Y356-D414 WeakPolarHBondContact CE1-OD2 3.37Å; Y356-D414 WeakPolarHBondContact OH-CB 3.18Å; Y356-D414 PolarHBondContact OH-OD2 3.19Å |
| 357 | V | 98.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 136.6 | 172.3 | 177.3 | 0 | 0 | 0 | 0 | 109.5 | R378 S383 L386 F387 M390 A400 T401 L402 | V357-R378 VanDerWaalsContact O-CD 3.28Å; V357-R378 WeakPolarHBondContact O-CD 3.5Å; V357-R378 PolarHBondContact O-NH1 3.15Å; V357-S383 WeakPolarHBondContact CG2-O 3.37Å; V357-S383 PolarHBondContact N-OG 2.87Å; V357-L386 HydrophobicContact CB-CB 4.02Å; V357-L386 HydrophobicContact CB-CD1 4.35Å; V357-L386 HydrophobicContact CG1-CB 3.97Å; V357-L386 HydrophobicContact CG1-CD1 4.35Å; V357-L386 HydrophobicContact CG2-CB 3.91Å; V357-F387 HydrophobicContact CG2-CB 3.86Å; V357-M390 HydrophobicContact CG1-SD 3.76Å; V357-M390 HydrophobicContact CG2-SD 4.04Å; V357-A400 HydrophobicContact CG1-CB 4.31Å; V357-T401 CarbonylContact C-O 3.56Å; V357-T401 WeakPolarHBondContact CA-O 3.19Å; V357-L402 HydrophobicContact CG2-CD1 4.06Å |
| 358 | C | 96.8 | Very high | 86.8 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 143.4 | -176.3 | -178.7 | 0 | 0 | 0 | 0 | 110.6 | Y356 Q360 S373 A400 T401 R403 | Y356-C358 HydrophobicContact CD2-CB 4.26Å; Y356-C358 HydrophobicContact CE2-CB 3.8Å; C358-Q360 PolarHBondContact SG-N 2.83Å; C358-Q360 VanDerWaalsContact SG-N 3.39Å; C358-S373 PolarHBondContact SG-OG 3.22Å; C358-A400 CarbonylContact O-C 3.5Å; C358-A400 WeakPolarHBondContact O-CA 3.31Å; C358-T401 PolarHBondContact N-O 3.32Å; C358-T401 PolarHBondContact O-N 2.87Å; C358-T401 PolarHBondContact O-OG1 2.77Å; C358-R403 VanDerWaalsContact CB-CD 3.41Å; C358-R403 HydrophobicContact CB-CG 3.95Å |
| 359 | H | 95.8 | Very high | 84.8 | Confident | 44 Ų | 44 | 67.5 Ų | 67.5 | 20% | 0.204 | 33% | 0.332 | C | S | . | . | trans | -113.7 | 13.7 | 177.4 | -57.6 | -71.6 | 0 | 0 | 0 | 113.2 | W375 R378 F395 E399 | H359-W375 HydrophobicContact CB-CD2 4.18Å; H359-W375 HydrophobicContact CB-CE3 4.12Å; H359-W375 HydrophobicContact CB-CH2 3.76Å; H359-W375 HydrophobicContact CB-CZ2 3.82Å; H359-W375 HydrophobicContact CB-CZ3 3.91Å; H359-W375 AromaticContact CD2-CE2 3.86Å; H359-W375 AromaticContact CD2-NE1 3.83Å; H359-R378 PolarHBondContact CD2-NH1 2.66Å; H359-R378 PolarHBondContact NE2-NH1 2.97Å; H359-R378 VanDerWaalsContact NE2-NH1 3.11Å; H359-F395 AromaticContact CE1-CE1 3.89Å; H359-E399 PolarHBondContact ND1-O 2.85Å | ||
| 360 | Q | 92.1 | Very high | 83.1 | Confident | 12 Ų | 12 | 68.7 Ų | 68.7 | 6% | 0.056 | 34% | 0.339 | C | S | . | . | trans | -67.3 | 138.2 | 170.7 | -70.4 | 179.4 | -69.9 | 0 | 0 | 109.5 | C358 E364 L365 L371 S373 W375 | C358-Q360 PolarHBondContact SG-N 2.83Å; C358-Q360 VanDerWaalsContact SG-N 3.39Å; Q360-E364 VanDerWaalsContact CA-OE2 3.27Å; Q360-E364 WeakPolarHBondContact CA-OE2 3.45Å; Q360-E364 HydrophobicContact CB-CB 4.4Å; Q360-L365 HydrophobicContact CB-CD2 4.12Å; Q360-L365 HydrophobicContact CB-CG 4.25Å; Q360-L371 PolarHBondContact NE2-O 3.32Å; Q360-S373 VanDerWaalsContact OE1-CA 3.26Å; Q360-S373 PolarHBondContact OE1-OG 3.3Å; Q360-W375 HydrophobicContact CB-CZ3 4.46Å; Q360-W375 HydrophobicContact CG-CE3 4.1Å; Q360-W375 HydrophobicContact CG-CZ3 3.66Å | ||
| 361 | R | 85.3 | Confident | 81.8 | Confident | 172 Ų | 172 | 75.2 Ų | 75.2 | 65% | 0.649 | 37% | 0.374 | S | S | * | . | trans | -77.1 | 162.5 | 177 | -62.3 | -171.8 | 176.1 | -171.8 | -0.8 | 111.1 | E363 E364 L365 | R361-E363 WeakPolarHBondContact CB-OE2 3.04Å; R361-E363 PolarHBondContact O-N 2.86Å; R361-E364 HydrophobicContact CB-CG 4.44Å; R361-E364 PolarHBondContact N-OE2 2.78Å; R361-E364 PolarHBondContact O-N 3.25Å; R361-E364 VanDerWaalsContact O-N 3.07Å; R361-L365 WeakPolarHBondContact O-CG 3.5Å; R361-L365 PolarHBondContact O-N 3.12Å | ||
| 362 | V | 76.7 | Confident | 80.9 | Confident | 65 Ų | 65 | 72.4 Ų | 72.4 | 39% | 0.394 | 38% | 0.375 | S | S | . | . | G | 310 helix | trans | -58.9 | -34.6 | -178.7 | 179 | 0 | 0 | 0 | 0 | 111.6 | E364 L365 K366 | V362-E364 VanDerWaalsContact C-N 3.33Å; V362-E364 PolarHBondContact O-N 3.37Å; V362-L365 PolarHBondContact O-N 3.1Å; V362-K366 PolarHBondContact O-N 2.9Å |
| 363 | E | 72.6 | Confident | 80.6 | Confident | 126 Ų | 126 | 68.3 Ų | 68.3 | 59% | 0.589 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | -65.1 | -36.4 | 178.4 | -61.5 | 69.9 | -146.5 | 0 | 0 | 112.1 | R361 L365 K366 | R361-E363 WeakPolarHBondContact CB-OE2 3.04Å; R361-E363 PolarHBondContact O-N 2.86Å; E363-L365 PolarHBondContact O-N 2.94Å; E363-K366 PolarHBondContact O-N 3.1Å |
| 364 | E | 72.3 | Confident | 80.4 | Confident | 106 Ų | 106 | 71.6 Ų | 71.6 | 50% | 0.495 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -77 | -15.2 | 179.1 | -57.8 | 174.2 | 145.5 | 0 | 0 | 112.2 | Q360 R361 V362 | Q360-E364 VanDerWaalsContact CA-OE2 3.27Å; Q360-E364 WeakPolarHBondContact CA-OE2 3.45Å; Q360-E364 HydrophobicContact CB-CB 4.4Å; R361-E364 HydrophobicContact CB-CG 4.44Å; R361-E364 PolarHBondContact N-OE2 2.78Å; R361-E364 PolarHBondContact O-N 3.25Å; R361-E364 VanDerWaalsContact O-N 3.07Å; V362-E364 VanDerWaalsContact C-N 3.33Å; V362-E364 PolarHBondContact O-N 3.37Å |
| 365 | L | 69.6 | Low | 80.3 | Confident | 38 Ų | 38 | 73.1 Ų | 73.1 | 20% | 0.199 | 38% | 0.378 | C | S | . | . | G | 310 helix | trans | -94.2 | -1.1 | 176.8 | -62.5 | 169.6 | 0 | 0 | 0 | 112.7 | Q360 R361 V362 E363 T370 R403 | Q360-L365 HydrophobicContact CB-CD2 4.12Å; Q360-L365 HydrophobicContact CB-CG 4.25Å; R361-L365 WeakPolarHBondContact O-CG 3.5Å; R361-L365 PolarHBondContact O-N 3.12Å; V362-L365 PolarHBondContact O-N 3.1Å; E363-L365 PolarHBondContact O-N 2.94Å; L365-T370 WeakPolarHBondContact O-CG2 3.46Å; L365-R403 VanDerWaalsContact CD2-NH1 3.28Å |
| 366 | K | 64.4 | Low | 80.1 | Confident | 152 Ų | 152 | 75.1 Ų | 75.1 | 66% | 0.661 | 39% | 0.385 | S | S | * | . | trans | -85.8 | 128.8 | 179 | -76.5 | 178.5 | -178.3 | 174.8 | 0 | 111.3 | V362 E363 | V362-K366 PolarHBondContact O-N 2.9Å; E363-K366 PolarHBondContact O-N 3.1Å | ||
| 367 | G | 59.2 | Low | 80 | Confident | 59 Ų | 59 | 81 Ų | 81 | 61% | 0.608 | 42% | 0.416 | S | S | * | . | S | Bend | trans | 117.8 | 167.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 368 | H | 55.3 | Low | 79.9 | Confident | 146 Ų | 146 | 82.6 Ų | 82.6 | 68% | 0.676 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -81.9 | -23.5 | 176.6 | -75.4 | -83.7 | 0 | 0 | 0 | 112.9 | ||
| 369 | N | 55.7 | Low | 80 | Confident | 163 Ų | 163 | 86.5 Ų | 86.5 | 87% | 0.872 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -102.6 | 58.6 | 175.9 | -71.8 | -2 | 0 | 0 | 0 | 110.9 | ||
| 370 | T | 63.8 | Low | 80.1 | Confident | 24 Ų | 24 | 87 Ų | 87 | 15% | 0.147 | 45% | 0.454 | C | S | . | . | P | Polyproline II helix | trans | -71.5 | 132.8 | 176.5 | 40.3 | 0 | 0 | 0 | 0 | 110.3 | L365 | L365-T370 WeakPolarHBondContact O-CG2 3.46Š|
| 371 | L | 70.8 | Confident | 80.3 | Confident | 139 Ų | 139 | 93.1 Ų | 93.1 | 73% | 0.728 | 48% | 0.483 | S | S | * | . | P | Polyproline II helix | trans | -59.3 | 136.9 | 172.8 | -78.5 | 160.3 | 0 | 0 | 0 | 109.4 | Q360 S373 | Q360-L371 PolarHBondContact NE2-O 3.32Å; L371-S373 PolarHBondContact O-N 3.4Å |
| 372 | P | 80 | Confident | 81 | Confident | 91 Ų | 91 | 88.6 Ų | 88.6 | 59% | 0.591 | 47% | 0.469 | S | S | * | . | P | Polyproline II helix | trans | -58.1 | 138.1 | 178.2 | 25.7 | -33.4 | 0 | 0 | 0 | 109.2 | P374 | P372-P374 WeakPolarHBondContact O-CD 3.47Š|
| 373 | S | 90.6 | Very high | 82 | Confident | 8 Ų | 8 | 85.6 Ų | 85.6 | 6% | 0.056 | 45% | 0.45 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 128.6 | -176.2 | -161.9 | 0 | 0 | 0 | 0 | 110.8 | Y356 C358 Q360 L371 W375 R376 | Y356-S373 WeakPolarHBondContact OH-CB 3.49Å; C358-S373 PolarHBondContact SG-OG 3.22Å; Q360-S373 VanDerWaalsContact OE1-CA 3.26Å; Q360-S373 PolarHBondContact OE1-OG 3.3Å; L371-S373 PolarHBondContact O-N 3.4Å; S373-W375 PolarHBondContact O-N 3.49Å; S373-R376 VanDerWaalsContact O-CB 3.27Å; S373-R376 WeakPolarHBondContact O-CB 3.49Å; S373-R376 PolarHBondContact O-N 3.41Å |
| 374 | P | 93.8 | Very high | 83.2 | Confident | 101 Ų | 101 | 81.3 Ų | 81.3 | 66% | 0.656 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -22 | 173.8 | -25.6 | 34.5 | 0 | 0 | 0 | 113.2 | P372 | P372-P374 WeakPolarHBondContact O-CD 3.47Š|
| 375 | W | 96.4 | Very high | 84.5 | Confident | 80 Ų | 80 | 82.3 Ų | 82.3 | 30% | 0.303 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 2.9 | -176.5 | -59.9 | -73.9 | 0 | 0 | 0 | 113.9 | Y356 H359 Q360 S373 D377 R378 | Y356-W375 HydrophobicContact CD2-CB 4.36Å; Y356-W375 WeakPolarHBondContact CD2-O 3.46Å; Y356-W375 HydrophobicContact CE2-CB 4.48Å; H359-W375 HydrophobicContact CB-CD2 4.18Å; H359-W375 HydrophobicContact CB-CE3 4.12Å; H359-W375 HydrophobicContact CB-CH2 3.76Å; H359-W375 HydrophobicContact CB-CZ2 3.82Å; H359-W375 HydrophobicContact CB-CZ3 3.91Å; H359-W375 AromaticContact CD2-CE2 3.86Å; H359-W375 AromaticContact CD2-NE1 3.83Å; Q360-W375 HydrophobicContact CB-CZ3 4.46Å; Q360-W375 HydrophobicContact CG-CE3 4.1Å; Q360-W375 HydrophobicContact CG-CZ3 3.66Å; S373-W375 PolarHBondContact O-N 3.49Å; W375-D377 VanDerWaalsContact C-N 3.25Å; W375-D377 PolarHBondContact O-N 2.86Å; W375-R378 WeakPolarHBondContact O-CB 3.42Å; W375-R378 WeakPolarHBondContact O-CD 3.43Å; W375-R378 WeakPolarHBondContact O-CG 3.32Å; W375-R378 PolarHBondContact O-N 3Å |
| 376 | R | 95.1 | Very high | 85.8 | Confident | 49 Ų | 49 | 81.9 Ų | 81.9 | 19% | 0.185 | 44% | 0.437 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -34.3 | -176.1 | -174.4 | 174.5 | -153 | -84.9 | -3.8 | 113.7 | Y356 S373 K405 D414 | Y356-R376 HydrophobicContact CD1-CG 4.37Å; Y356-R376 HydrophobicContact CE1-CB 4.16Å; Y356-R376 HydrophobicContact CE1-CG 3.81Å; Y356-R376 VanDerWaalsContact CE2-CA 3.48Å; Y356-R376 HydrophobicContact CE2-CB 4.17Å; S373-R376 VanDerWaalsContact O-CB 3.27Å; S373-R376 WeakPolarHBondContact O-CB 3.49Å; S373-R376 PolarHBondContact O-N 3.41Å; R376-K405 HydrophobicContact CG-CD 4.34Å; R376-K405 HydrophobicContact CG-CG 4.23Å; R376-K405 VanDerWaalsContact NH1-CE 3.27Å; R376-K405 VanDerWaalsContact NH2-CG 3.33Å; R376-K405 WeakPolarHBondContact O-CE 3.32Å; R376-K405 PolarHBondContact O-NZ 3.22Å; R376-D414 VanDerWaalsContact CD-OD2 3.31Å; R376-D414 WeakPolarHBondContact CD-OD2 3.38Å; R376-D414 IonicContact CZ-OD1 2.77Å; R376-D414 IonicContact CZ-OD2 3.92Å; R376-D414 IonicContact NE-OD1 2.69Å; R376-D414 PolarHBondContact NE-OD1 2.82Å; R376-D414 VanDerWaalsContact NE-OD1 3.13Å; R376-D414 IonicContact NE-OD2 3.38Å; R376-D414 PolarHBondContact NE-OD2 2.9Å; R376-D414 IonicContact NH2-OD1 3.13Å; R376-D414 PolarHBondContact NH2-OD1 3.05Å; R376-D414 IonicContact NH2-OD2 2.79Å |
| 377 | D | 95.7 | Very high | 87.5 | Confident | 126 Ų | 126 | 74.7 Ų | 74.7 | 67% | 0.674 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.6 | 18 | -175.2 | -60.9 | -49.7 | 0 | 0 | 0 | 112.8 | W375 K405 | W375-D377 VanDerWaalsContact C-N 3.25Å; W375-D377 PolarHBondContact O-N 2.86Å; D377-K405 WeakPolarHBondContact OD1-CE 3.25Å; D377-K405 IonicContact OD1-NZ 2.84Å; D377-K405 PolarHBondContact OD1-NZ 2.87Å |
| 378 | R | 96.9 | Very high | 89.3 | Confident | 33 Ų | 33 | 74.7 Ų | 74.7 | 13% | 0.125 | 39% | 0.39 | C | S | . | . | trans | -63.2 | 148.9 | 175 | 82.3 | -162.4 | -35.1 | 179.5 | 1.3 | 111 | V357 H359 W375 E382 S383 L386 | V357-R378 VanDerWaalsContact O-CD 3.28Å; V357-R378 WeakPolarHBondContact O-CD 3.5Å; V357-R378 PolarHBondContact O-NH1 3.15Å; H359-R378 PolarHBondContact CD2-NH1 2.66Å; H359-R378 PolarHBondContact NE2-NH1 2.97Å; H359-R378 VanDerWaalsContact NE2-NH1 3.11Å; W375-R378 WeakPolarHBondContact O-CB 3.42Å; W375-R378 WeakPolarHBondContact O-CD 3.43Å; W375-R378 WeakPolarHBondContact O-CG 3.32Å; W375-R378 PolarHBondContact O-N 3Å; R378-E382 IonicContact CZ-OE1 2.9Å; R378-E382 IonicContact NE-OE1 3.75Å; R378-E382 PolarHBondContact NE-OE1 3.49Å; R378-E382 IonicContact NH2-OE1 2.68Å; R378-E382 PolarHBondContact NH2-OE1 3.04Å; R378-S383 WeakPolarHBondContact CD-OG 3.32Å; R378-S383 VanDerWaalsContact CG-OG 3.29Å; R378-S383 WeakPolarHBondContact CG-OG 3.36Å; R378-L386 VanDerWaalsContact NH1-CD1 3.31Å | ||
| 379 | P | 97.8 | Very high | 91.4 | Very high | 83 Ų | 83 | 68.3 Ų | 68.3 | 54% | 0.539 | 36% | 0.363 | S | S | . | . | trans | -56 | 147.3 | 179.1 | -25.5 | 34.6 | 0 | 0 | 0 | 113.2 | E381 E382 S383 | P379-E381 VanDerWaalsContact C-N 3.33Å; P379-E381 PolarHBondContact O-N 2.91Å; P379-E382 HydrophobicContact CB-CB 4.43Å; P379-E382 WeakPolarHBondContact CD-OE2 3.27Å; P379-E382 WeakPolarHBondContact O-CB 3.02Å; P379-E382 PolarHBondContact O-N 3.19Å; P379-E382 VanDerWaalsContact O-N 3.11Å; P379-S383 PolarHBondContact O-N 3.13Å; P379-S383 VanDerWaalsContact O-N 3.17Å | ||
| 380 | T | 97.6 | Very high | 93.4 | Very high | 53 Ų | 53 | 60.6 Ų | 60.6 | 33% | 0.325 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -54.2 | -46.9 | 178.2 | -61.2 | 0 | 0 | 0 | 0 | 112.5 | I350 E382 S383 L384 | I350-T380 HydrophobicContact CG2-CG2 4.19Å; I350-T380 WeakPolarHBondContact O-CG2 3.47Å; T380-E382 VanDerWaalsContact C-N 3.27Å; T380-E382 PolarHBondContact O-N 2.71Å; T380-S383 PolarHBondContact O-N 3.29Å; T380-S383 VanDerWaalsContact O-N 3.13Å; T380-L384 HydrophobicContact CG2-CD1 4.18Å; T380-L384 HydrophobicContact CG2-CG 4.46Å; T380-L384 WeakPolarHBondContact O-CG 3.37Å; T380-L384 PolarHBondContact O-N 3.41Å |
| 381 | E | 97.7 | Very high | 95.1 | Very high | 142 Ų | 142 | 63 Ų | 63 | 66% | 0.664 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -59.7 | -36.4 | 179 | -64.5 | -55.2 | 139.3 | 0 | 0 | 112.7 | P379 L384 L385 | P379-E381 VanDerWaalsContact C-N 3.33Å; P379-E381 PolarHBondContact O-N 2.91Å; E381-L384 PolarHBondContact O-N 3.42Å; E381-L385 WeakPolarHBondContact O-CB 3.41Å; E381-L385 PolarHBondContact O-N 3.25Å |
| 382 | E | 98.1 | Very high | 96.4 | Very high | 77 Ų | 77 | 62.9 Ų | 62.9 | 36% | 0.36 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -67.1 | -43.7 | 176.4 | -167.4 | -172.4 | 143 | 0 | 0 | 110.8 | R378 P379 T380 L384 L385 L386 | R378-E382 IonicContact CZ-OE1 2.9Å; R378-E382 IonicContact NE-OE1 3.75Å; R378-E382 PolarHBondContact NE-OE1 3.49Å; R378-E382 IonicContact NH2-OE1 2.68Å; R378-E382 PolarHBondContact NH2-OE1 3.04Å; P379-E382 HydrophobicContact CB-CB 4.43Å; P379-E382 WeakPolarHBondContact CD-OE2 3.27Å; P379-E382 WeakPolarHBondContact O-CB 3.02Å; P379-E382 PolarHBondContact O-N 3.19Å; P379-E382 VanDerWaalsContact O-N 3.11Å; T380-E382 VanDerWaalsContact C-N 3.27Å; T380-E382 PolarHBondContact O-N 2.71Å; E382-L384 PolarHBondContact O-N 3.01Å; E382-L385 PolarHBondContact O-N 3.43Å; E382-L386 HydrophobicContact CG-CD1 3.95Å; E382-L386 HydrophobicContact CG-CG 4.49Å; E382-L386 WeakPolarHBondContact O-CB 3.38Å; E382-L386 WeakPolarHBondContact O-CG 3.46Å; E382-L386 PolarHBondContact O-N 2.93Å |
| 383 | S | 98.4 | Very high | 97.2 | Very high | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.007 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.5 | -38 | 175.9 | -70.5 | 0 | 0 | 0 | 0 | 112.5 | Y356 V357 R378 P379 T380 L386 F387 | Y356-S383 WeakPolarHBondContact CA-OG 3.38Å; V357-S383 WeakPolarHBondContact CG2-O 3.37Å; V357-S383 PolarHBondContact N-OG 2.87Å; R378-S383 WeakPolarHBondContact CD-OG 3.32Å; R378-S383 VanDerWaalsContact CG-OG 3.29Å; R378-S383 WeakPolarHBondContact CG-OG 3.36Å; P379-S383 PolarHBondContact O-N 3.13Å; P379-S383 VanDerWaalsContact O-N 3.17Å; T380-S383 PolarHBondContact O-N 3.29Å; T380-S383 VanDerWaalsContact O-N 3.13Å; S383-L386 PolarHBondContact O-N 3.3Å; S383-F387 VanDerWaalsContact O-CB 3.23Å; S383-F387 WeakPolarHBondContact O-CB 3.49Å; S383-F387 PolarHBondContact O-N 3.1Å |
| 384 | L | 98.4 | Very high | 97.5 | Very high | 37 Ų | 37 | 67.1 Ų | 67.1 | 19% | 0.194 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.8 | -48 | 175.4 | -72.1 | 173.3 | 0 | 0 | 0 | 111.4 | V347 I350 R351 T380 E381 E382 L386 F387 E388 | V347-L384 HydrophobicContact CG1-CD2 3.81Å; I350-L384 HydrophobicContact CB-CD2 4.02Å; I350-L384 HydrophobicContact CD1-CD2 4.44Å; I350-L384 HydrophobicContact CG2-CD2 3.76Å; I350-L384 HydrophobicContact CG2-CG 3.78Å; R351-L384 HydrophobicContact CG-CD1 4.33Å; R351-L384 HydrophobicContact CG-CD2 4.27Å; T380-L384 HydrophobicContact CG2-CD1 4.18Å; T380-L384 HydrophobicContact CG2-CG 4.46Å; T380-L384 WeakPolarHBondContact O-CG 3.37Å; T380-L384 PolarHBondContact O-N 3.41Å; E381-L384 PolarHBondContact O-N 3.42Å; E382-L384 PolarHBondContact O-N 3.01Å; L384-L386 PolarHBondContact O-N 2.86Å; L384-F387 PolarHBondContact O-N 3.26Å; L384-E388 PolarHBondContact O-N 3.24Å; L384-E388 VanDerWaalsContact O-N 3.1Å |
| 385 | L | 98.5 | Very high | 97.7 | Very high | 126 Ų | 126 | 64.1 Ų | 64.1 | 66% | 0.66 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -58.8 | -47.6 | 177.2 | 177.1 | 64.9 | 0 | 0 | 0 | 111.4 | E381 E382 A389 | E381-L385 WeakPolarHBondContact O-CB 3.41Å; E381-L385 PolarHBondContact O-N 3.25Å; E382-L385 PolarHBondContact O-N 3.43Å; L385-A389 WeakPolarHBondContact O-CB 3.46Å; L385-A389 PolarHBondContact O-N 3.37Å |
| 386 | L | 98.5 | Very high | 97.7 | Very high | 29 Ų | 29 | 63.2 Ų | 63.2 | 15% | 0.152 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -69.9 | -36.8 | -177.6 | -68.6 | 171.8 | 0 | 0 | 0 | 112.2 | V357 R378 E382 S383 L384 A389 M390 F395 | V357-L386 HydrophobicContact CB-CB 4.02Å; V357-L386 HydrophobicContact CB-CD1 4.35Å; V357-L386 HydrophobicContact CG1-CB 3.97Å; V357-L386 HydrophobicContact CG1-CD1 4.35Å; V357-L386 HydrophobicContact CG2-CB 3.91Å; R378-L386 VanDerWaalsContact NH1-CD1 3.31Å; E382-L386 HydrophobicContact CG-CD1 3.95Å; E382-L386 HydrophobicContact CG-CG 4.49Å; E382-L386 WeakPolarHBondContact O-CB 3.38Å; E382-L386 WeakPolarHBondContact O-CG 3.46Å; E382-L386 PolarHBondContact O-N 2.93Å; S383-L386 PolarHBondContact O-N 3.3Å; L384-L386 PolarHBondContact O-N 2.86Å; L386-A389 CarbonylContact O-C 3.55Å; L386-A389 WeakPolarHBondContact O-CB 3.47Å; L386-A389 PolarHBondContact O-N 2.76Å; L386-M390 VanDerWaalsContact O-CG 3.3Å; L386-M390 WeakPolarHBondContact O-CG 3.44Å; L386-M390 PolarHBondContact O-N 2.95Å; L386-F395 HydrophobicContact CD2-CE2 4.28Å; L386-F395 HydrophobicContact CD2-CZ 3.81Å |
| 387 | F | 98.7 | Very high | 97.7 | Very high | 1 Ų | 1 | 65.7 Ų | 65.7 | 0% | 0.004 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -70 | -37.2 | 179.2 | -171.7 | -127.2 | 0 | 0 | 0 | 111.9 | Y343 A346 V347 I350 V357 S383 L384 M390 R391 L402 Y418 I434 | Y343-F387 HydrophobicContact CD2-CD1 4.47Å; Y343-F387 AromaticContact CD2-CE1 3.54Å; Y343-F387 HydrophobicContact CD2-CE1 3.54Å; Y343-F387 AromaticContact CD2-CZ 3.8Å; Y343-F387 HydrophobicContact CD2-CZ 3.8Å; Y343-F387 AromaticContact CE2-CD1 3.79Å; Y343-F387 HydrophobicContact CE2-CD1 3.79Å; Y343-F387 AromaticContact CE2-CE1 3.29Å; Y343-F387 HydrophobicContact CE2-CE1 3.29Å; Y343-F387 AromaticContact CE2-CZ 3.84Å; Y343-F387 HydrophobicContact CE2-CZ 3.84Å; A346-F387 HydrophobicContact CB-CE1 3.81Å; A346-F387 HydrophobicContact CB-CZ 3.95Å; V347-F387 HydrophobicContact CG2-CD1 4.09Å; V347-F387 HydrophobicContact CG2-CE1 4.13Å; I350-F387 HydrophobicContact CD1-CB 3.83Å; I350-F387 HydrophobicContact CD1-CD1 3.7Å; I350-F387 HydrophobicContact CD1-CG 3.9Å; V357-F387 HydrophobicContact CG2-CB 3.86Å; S383-F387 VanDerWaalsContact O-CB 3.23Å; S383-F387 WeakPolarHBondContact O-CB 3.49Å; S383-F387 PolarHBondContact O-N 3.1Å; L384-F387 PolarHBondContact O-N 3.26Å; F387-M390 HydrophobicContact CD2-CE 4.28Å; F387-M390 HydrophobicContact CD2-SD 4Å; F387-M390 WeakPolarHBondContact O-CB 3.21Å; F387-M390 PolarHBondContact O-N 3.03Å; F387-R391 PolarHBondContact O-N 2.72Å; F387-L402 HydrophobicContact CD2-CB 4.09Å; F387-L402 HydrophobicContact CD2-CD1 4.15Å; F387-L402 HydrophobicContact CD2-CD2 4.18Å; F387-L402 HydrophobicContact CD2-CG 4.37Å; F387-L402 HydrophobicContact CE1-CD2 4.13Å; F387-L402 HydrophobicContact CE2-CB 3.91Å; F387-L402 HydrophobicContact CE2-CD2 3.78Å; F387-L402 HydrophobicContact CE2-CG 4.29Å; F387-L402 HydrophobicContact CG-CD1 4.33Å; F387-L402 HydrophobicContact CZ-CD2 3.75Å; F387-Y418 HydrophobicContact CE2-CD1 4.29Å; F387-Y418 HydrophobicContact CE2-CD2 4.24Å; F387-Y418 AromaticContact CE2-CG 3.9Å; F387-Y418 HydrophobicContact CE2-CG 3.9Å; F387-Y418 HydrophobicContact CZ-CD1 4.13Å; F387-Y418 AromaticContact CZ-CD2 3.94Å; F387-Y418 HydrophobicContact CZ-CD2 3.94Å; F387-Y418 HydrophobicContact CZ-CE1 4.37Å; F387-Y418 HydrophobicContact CZ-CE2 4.21Å; F387-Y418 AromaticContact CZ-CG 3.91Å; F387-Y418 HydrophobicContact CZ-CG 3.91Å; F387-I434 HydrophobicContact CD2-CD1 4.48Å; F387-I434 HydrophobicContact CE2-CD1 3.71Å; F387-I434 HydrophobicContact CZ-CD1 3.79Å |
| 388 | E | 98.6 | Very high | 97.5 | Very high | 59 Ų | 59 | 61.2 Ų | 61.2 | 28% | 0.276 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -66.9 | -37.4 | 169.6 | -179.7 | 60.3 | -172.5 | 0 | 0 | 111.5 | Y343 L384 M390 R391 K392 | Y343-E388 PolarHBondContact OH-OE2 3.09Å; L384-E388 PolarHBondContact O-N 3.24Å; L384-E388 VanDerWaalsContact O-N 3.1Å; E388-M390 VanDerWaalsContact C-N 3.34Å; E388-M390 PolarHBondContact O-N 3.22Å; E388-R391 WeakPolarHBondContact O-CB 3.3Å; E388-R391 PolarHBondContact O-N 3.08Å; E388-R391 IonicContact OE1-NH1 3.16Å; E388-R391 PolarHBondContact OE1-NH1 3.07Å; E388-R391 IonicContact OE2-NH1 2.72Å; E388-R391 PolarHBondContact OE2-NH1 3.27Å; E388-K392 HydrophobicContact CG-CG 4.49Å; E388-K392 VanDerWaalsContact O-CG 3.3Å; E388-K392 WeakPolarHBondContact O-CG 3.44Å; E388-K392 PolarHBondContact O-N 2.92Å; E388-K392 WeakPolarHBondContact OE1-CE 3.46Å; E388-K392 IonicContact OE1-NZ 2.65Å |
| 389 | A | 98.4 | Very high | 97.4 | Very high | 13 Ų | 13 | 64.1 Ų | 64.1 | 11% | 0.107 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.7 | -39.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L385 L386 K392 G393 K394 F395 | L385-A389 WeakPolarHBondContact O-CB 3.46Å; L385-A389 PolarHBondContact O-N 3.37Å; L386-A389 CarbonylContact O-C 3.55Å; L386-A389 WeakPolarHBondContact O-CB 3.47Å; L386-A389 PolarHBondContact O-N 2.76Å; A389-K392 CarbonylContact O-C 3.59Å; A389-K392 PolarHBondContact O-N 3.36Å; A389-G393 PolarHBondContact O-N 3.28Å; A389-K394 HydrophobicContact CB-CB 4.2Å; A389-K394 HydrophobicContact CB-CD 3.88Å; A389-K394 HydrophobicContact CB-CG 4.41Å; A389-K394 WeakPolarHBondContact O-CB 3.45Å; A389-K394 PolarHBondContact O-N 3.45Å; A389-F395 HydrophobicContact CB-CE2 3.91Å |
| 390 | M | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60 | -47.3 | 171.5 | -68.2 | 167.8 | 60.9 | 0 | 0 | 111.1 | V357 L386 F387 E388 K392 G393 F395 A400 V420 C433 I434 | V357-M390 HydrophobicContact CG1-SD 3.76Å; V357-M390 HydrophobicContact CG2-SD 4.04Å; L386-M390 VanDerWaalsContact O-CG 3.3Å; L386-M390 WeakPolarHBondContact O-CG 3.44Å; L386-M390 PolarHBondContact O-N 2.95Å; F387-M390 HydrophobicContact CD2-CE 4.28Å; F387-M390 HydrophobicContact CD2-SD 4Å; F387-M390 WeakPolarHBondContact O-CB 3.21Å; F387-M390 PolarHBondContact O-N 3.03Å; E388-M390 VanDerWaalsContact C-N 3.34Å; E388-M390 PolarHBondContact O-N 3.22Å; M390-K392 PolarHBondContact O-N 2.92Å; M390-G393 PolarHBondContact O-N 2.88Å; M390-F395 HydrophobicContact CB-CD2 4.31Å; M390-F395 HydrophobicContact CG-CD2 3.57Å; M390-F395 HydrophobicContact CG-CE2 4.01Å; M390-F395 HydrophobicContact CG-CG 4.44Å; M390-A400 HydrophobicContact CE-CB 4.23Å; M390-A400 HydrophobicContact CG-CB 3.76Å; M390-A400 HydrophobicContact SD-CB 3.77Å; M390-V420 HydrophobicContact CB-CG2 4.36Å; M390-V420 HydrophobicContact CE-CG2 4.05Å; M390-V420 HydrophobicContact CG-CG2 4.42Å; M390-C433 PolarHBondContact O-SG 3.27Å; M390-I434 HydrophobicContact CB-CG2 3.84Å; M390-I434 HydrophobicContact CE-CG2 4.5Å; M390-I434 WeakPolarHBondContact O-CG2 3.32Å |
| 391 | R | 98 | Very high | 97.4 | Very high | 76 Ų | 76 | 58 Ų | 58 | 29% | 0.287 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.8 | -31 | 176.6 | -178.7 | 172.6 | 168.9 | -116.1 | 5.4 | 113.2 | Y343 F387 E388 G393 W432 C433 I434 | Y343-R391 HydrophobicContact CE2-CB 4.28Å; Y343-R391 VanDerWaalsContact CE2-CD 3.42Å; Y343-R391 HydrophobicContact CE2-CG 4.38Å; Y343-R391 VanDerWaalsContact CZ-CD 3.47Å; F387-R391 PolarHBondContact O-N 2.72Å; E388-R391 WeakPolarHBondContact O-CB 3.3Å; E388-R391 PolarHBondContact O-N 3.08Å; E388-R391 IonicContact OE1-NH1 3.16Å; E388-R391 PolarHBondContact OE1-NH1 3.07Å; E388-R391 IonicContact OE2-NH1 2.72Å; E388-R391 PolarHBondContact OE2-NH1 3.27Å; R391-G393 VanDerWaalsContact C-N 3.28Å; R391-W432 HydrophobicContact CG-CE3 4.47Å; R391-W432 HydrophobicContact CG-CZ3 4.24Å; R391-C433 PolarHBondContact O-SG 3.44Å; R391-I434 HydrophobicContact CB-CD1 3.68Å; R391-I434 HydrophobicContact CB-CG1 4.23Å; R391-I434 HydrophobicContact CG-CD1 4.19Å; R391-I434 HydrophobicContact CG-CG1 4.46Å |
| 392 | K | 98.1 | Very high | 97.4 | Very high | 135 Ų | 135 | 51.3 Ų | 51.3 | 59% | 0.587 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | 8.4 | 176.9 | -65.5 | -67.7 | 177.8 | -178.4 | 0 | 113.9 | E388 A389 M390 K394 | E388-K392 HydrophobicContact CG-CG 4.49Å; E388-K392 VanDerWaalsContact O-CG 3.3Å; E388-K392 WeakPolarHBondContact O-CG 3.44Å; E388-K392 PolarHBondContact O-N 2.92Å; E388-K392 WeakPolarHBondContact OE1-CE 3.46Å; E388-K392 IonicContact OE1-NZ 2.65Å; A389-K392 CarbonylContact O-C 3.59Å; A389-K392 PolarHBondContact O-N 3.36Å; M390-K392 PolarHBondContact O-N 2.92Å; K392-K394 HydrophobicContact CB-CG 4.47Å |
| 393 | G | 97.2 | Very high | 97.3 | Very high | 29 Ų | 29 | 48 Ų | 48 | 30% | 0.299 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.8 | 30.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | A389 M390 R391 F395 Y422 C433 | A389-G393 PolarHBondContact O-N 3.28Å; M390-G393 PolarHBondContact O-N 2.88Å; R391-G393 VanDerWaalsContact C-N 3.28Å; G393-F395 VanDerWaalsContact C-N 3.34Å; G393-Y422 VanDerWaalsContact C-OH 3.25Å; G393-Y422 VanDerWaalsContact CA-OH 3.24Å; G393-Y422 WeakPolarHBondContact CA-OH 3.28Å; G393-Y422 PolarHBondContact O-OH 3.22Å; G393-Y422 VanDerWaalsContact O-OH 3.11Å; G393-C433 PolarHBondContact N-SG 2.96Å |
| 394 | K | 98.1 | Very high | 97.2 | Very high | 159 Ų | 159 | 48.3 Ų | 48.3 | 69% | 0.691 | 25% | 0.248 | S | C | * | . | trans | -85.6 | -1.3 | 179.6 | -63.5 | -171.2 | 175.5 | -179 | 0 | 114.7 | A389 K392 | A389-K394 HydrophobicContact CB-CB 4.2Å; A389-K394 HydrophobicContact CB-CD 3.88Å; A389-K394 HydrophobicContact CB-CG 4.41Å; A389-K394 WeakPolarHBondContact O-CB 3.45Å; A389-K394 PolarHBondContact O-N 3.45Å; K392-K394 HydrophobicContact CB-CG 4.47Å | ||
| 395 | F | 97.3 | Very high | 97.1 | Very high | 38 Ų | 38 | 49 Ų | 49 | 17% | 0.167 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -128 | 142.1 | -178.1 | -70.7 | -75.3 | 0 | 0 | 0 | 110.4 | H359 L386 A389 M390 G393 E399 A400 V420 Y422 | H359-F395 AromaticContact CE1-CE1 3.89Å; L386-F395 HydrophobicContact CD2-CE2 4.28Å; L386-F395 HydrophobicContact CD2-CZ 3.81Å; A389-F395 HydrophobicContact CB-CE2 3.91Å; M390-F395 HydrophobicContact CB-CD2 4.31Å; M390-F395 HydrophobicContact CG-CD2 3.57Å; M390-F395 HydrophobicContact CG-CE2 4.01Å; M390-F395 HydrophobicContact CG-CG 4.44Å; G393-F395 VanDerWaalsContact C-N 3.34Å; F395-E399 HydrophobicContact CB-CB 4.28Å; F395-E399 HydrophobicContact CD1-CB 4.28Å; F395-A400 HydrophobicContact CB-CB 4.15Å; F395-A400 HydrophobicContact CD1-CB 4.06Å; F395-A400 HydrophobicContact CD2-CB 4.06Å; F395-A400 HydrophobicContact CG-CB 3.82Å; F395-V420 HydrophobicContact CB-CG2 4.46Å; F395-Y422 WeakPolarHBondContact O-CE2 3.37Å; F395-Y422 PolarHBondContact O-OH 2.91Å |
| 396 | S | 97.1 | Very high | 96.8 | Very high | 62 Ų | 62 | 43.9 Ų | 43.9 | 43% | 0.434 | 22% | 0.223 | S | C | . | . | trans | -70.6 | 165.1 | 172.3 | -43.6 | 0 | 0 | 0 | 0 | 111.4 | G398 E399 | S396-G398 PolarHBondContact O-N 3.05Å; S396-E399 WeakPolarHBondContact CB-OE1 3.39Å; S396-E399 VanDerWaalsContact N-CD 3.31Å; S396-E399 PolarHBondContact N-OE2 2.88Å; S396-E399 WeakPolarHBondContact O-CB 3.25Å; S396-E399 PolarHBondContact O-N 3.41Å; S396-E399 VanDerWaalsContact O-N 3.15Å; S396-E399 VanDerWaalsContact OG-CD 3.25Å; S396-E399 PolarHBondContact OG-OE1 3.21Å | ||
| 397 | E | 95.1 | Very high | 96.4 | Very high | 100 Ų | 100 | 46.4 Ų | 46.4 | 47% | 0.467 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | 128.1 | 174.2 | -57.7 | -166.1 | 170.9 | 0 | 0 | 110.9 | E399 K421 Y422 | E397-E399 VanDerWaalsContact C-N 3.3Å; E397-E399 PolarHBondContact O-N 3.06Å; E397-K421 VanDerWaalsContact OE1-CA 3.31Å; E397-K421 WeakPolarHBondContact OE1-CA 3.44Å; E397-Y422 HydrophobicContact CG-CD2 3.77Å; E397-Y422 HydrophobicContact CG-CE2 4.32Å; E397-Y422 PolarHBondContact OE1-N 3.34Å |
| 398 | G | 91.1 | Very high | 95.8 | Very high | 32 Ų | 32 | 46.9 Ų | 46.9 | 33% | 0.33 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.4 | -7.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | S396 | S396-G398 PolarHBondContact O-N 3.05Š|
| 399 | E | 95.1 | Very high | 95.1 | Very high | 95 Ų | 95 | 50.9 Ų | 50.9 | 44% | 0.444 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -26.6 | 176.2 | -74.3 | 179.7 | -175.2 | 0 | 0 | 113.5 | H359 F395 S396 E397 | H359-E399 PolarHBondContact ND1-O 2.85Å; F395-E399 HydrophobicContact CB-CB 4.28Å; F395-E399 HydrophobicContact CD1-CB 4.28Å; S396-E399 WeakPolarHBondContact CB-OE1 3.39Å; S396-E399 VanDerWaalsContact N-CD 3.31Å; S396-E399 PolarHBondContact N-OE2 2.88Å; S396-E399 WeakPolarHBondContact O-CB 3.25Å; S396-E399 PolarHBondContact O-N 3.41Å; S396-E399 VanDerWaalsContact O-N 3.15Å; S396-E399 VanDerWaalsContact OG-CD 3.25Å; S396-E399 PolarHBondContact OG-OE1 3.21Å; E397-E399 VanDerWaalsContact C-N 3.3Å; E397-E399 PolarHBondContact O-N 3.06Å |
| 400 | A | 96.8 | Very high | 94.3 | Very high | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.008 | 27% | 0.273 | C | S | . | . | trans | -144.5 | 142.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | V357 C358 M390 F395 | V357-A400 HydrophobicContact CG1-CB 4.31Å; C358-A400 CarbonylContact O-C 3.5Å; C358-A400 WeakPolarHBondContact O-CA 3.31Å; M390-A400 HydrophobicContact CE-CB 4.23Å; M390-A400 HydrophobicContact CG-CB 3.76Å; M390-A400 HydrophobicContact SD-CB 3.77Å; F395-A400 HydrophobicContact CB-CB 4.15Å; F395-A400 HydrophobicContact CD1-CB 4.06Å; F395-A400 HydrophobicContact CD2-CB 4.06Å; F395-A400 HydrophobicContact CG-CB 3.82Å | ||
| 401 | T | 97.1 | Very high | 93.6 | Very high | 6 Ų | 6 | 55.3 Ų | 55.3 | 4% | 0.037 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 148.7 | 174.4 | 56.3 | 0 | 0 | 0 | 0 | 110.1 | V357 C358 V416 Y418 | V357-T401 CarbonylContact C-O 3.56Å; V357-T401 WeakPolarHBondContact CA-O 3.19Å; C358-T401 PolarHBondContact N-O 3.32Å; C358-T401 PolarHBondContact O-N 2.87Å; C358-T401 PolarHBondContact O-OG1 2.77Å; T401-V416 HydrophobicContact CG2-CG1 4.32Å; T401-Y418 WeakPolarHBondContact CA-O 3.35Å |
| 402 | L | 98.2 | Very high | 92.9 | Very high | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 129.7 | 164.9 | -172 | 71.4 | 0 | 0 | 0 | 108.2 | A346 I350 A355 V357 F387 V416 A417 Y418 | A346-L402 HydrophobicContact CB-CD2 3.78Å; I350-L402 HydrophobicContact CD1-CD1 3.63Å; I350-L402 HydrophobicContact CD1-CD2 4.44Å; I350-L402 HydrophobicContact CG1-CD1 3.85Å; A355-L402 HydrophobicContact CB-CD1 4.3Å; A355-L402 HydrophobicContact CB-CG 4.43Å; V357-L402 HydrophobicContact CG2-CD1 4.06Å; F387-L402 HydrophobicContact CD2-CB 4.09Å; F387-L402 HydrophobicContact CD2-CD1 4.15Å; F387-L402 HydrophobicContact CD2-CD2 4.18Å; F387-L402 HydrophobicContact CD2-CG 4.37Å; F387-L402 HydrophobicContact CE1-CD2 4.13Å; F387-L402 HydrophobicContact CE2-CB 3.91Å; F387-L402 HydrophobicContact CE2-CD2 3.78Å; F387-L402 HydrophobicContact CE2-CG 4.29Å; F387-L402 HydrophobicContact CG-CD1 4.33Å; F387-L402 HydrophobicContact CZ-CD2 3.75Å; L402-V416 CarbonylContact O-C 3.55Å; L402-A417 HydrophobicContact CD2-CB 4.29Å; L402-A417 HydrophobicContact CG-CB 4.47Å; L402-A417 PolarHBondContact O-N 2.87Å; L402-Y418 HydrophobicContact CB-CD2 4.47Å; L402-Y418 HydrophobicContact CD2-CD2 3.89Å; L402-Y418 PolarHBondContact N-O 2.89Å; L402-Y418 VanDerWaalsContact N-O 3.11Å; L402-Y418 PolarHBondContact O-N 3.34Å |
| 403 | R | 96.4 | Very high | 92.5 | Very high | 7 Ų | 7 | 52 Ų | 52 | 3% | 0.026 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 140.4 | 178.6 | -63.5 | 178.3 | 71.3 | -179.5 | 3.6 | 110.6 | A355 Y356 C358 L365 M413 D414 P415 V416 | A355-R403 CarbonylContact C-O 3.6Å; A355-R403 WeakPolarHBondContact CA-O 3.16Å; A355-R403 WeakPolarHBondContact CB-O 3.26Å; Y356-R403 HydrophobicContact CE1-CB 4.07Å; Y356-R403 HydrophobicContact CE2-CB 4.43Å; Y356-R403 PolarHBondContact N-O 3.08Å; Y356-R403 PolarHBondContact O-N 3.27Å; C358-R403 VanDerWaalsContact CB-CD 3.41Å; C358-R403 HydrophobicContact CB-CG 3.95Å; L365-R403 VanDerWaalsContact CD2-NH1 3.28Å; R403-M413 PolarHBondContact NH2-O 2.72Å; R403-D414 HydrophobicContact CB-CB 4.25Å; R403-D414 PolarHBondContact NE-O 2.92Å; R403-D414 PolarHBondContact NH2-O 3.04Å; R403-D414 VanDerWaalsContact NH2-O 3.12Å; R403-P415 WeakPolarHBondContact CA-O 3.41Å; R403-V416 HydrophobicContact CG-CG2 4.16Å |
| 404 | M | 96.5 | Very high | 92.2 | Very high | 8 Ų | 8 | 50.7 Ų | 50.7 | 4% | 0.039 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 140.8 | 169.4 | -62.8 | 176.6 | -84.7 | 0 | 0 | 108.8 | L406 D414 P415 A417 Y440 W469 L470 | M404-L406 HydrophobicContact CB-CD2 3.33Å; M404-L406 HydrophobicContact CG-CD2 4.49Å; M404-L406 PolarHBondContact O-N 2.84Å; M404-D414 CarbonylContact O-C 3.47Å; M404-D414 WeakPolarHBondContact O-CA 3.04Å; M404-D414 WeakPolarHBondContact O-CB 3.18Å; M404-P415 HydrophobicContact CB-CG 4.37Å; M404-P415 HydrophobicContact CE-CB 3.79Å; M404-P415 HydrophobicContact CE-CG 3.6Å; M404-P415 PolarHBondContact N-O 2.98Å; M404-A417 HydrophobicContact CG-CB 4.08Å; M404-Y440 HydrophobicContact SD-CD2 4.14Å; M404-W469 HydrophobicContact CB-CH2 3.89Å; M404-W469 HydrophobicContact CB-CZ3 3.87Å; M404-W469 HydrophobicContact CG-CH2 4.35Å; M404-W469 HydrophobicContact CG-CZ3 4Å; M404-W469 HydrophobicContact SD-CE3 4.41Å; M404-W469 HydrophobicContact SD-CZ3 3.7Å; M404-L470 HydrophobicContact SD-CD1 4.02Å; M404-L470 HydrophobicContact SD-CD2 4.38Å |
| 405 | K | 95.6 | Very high | 91.9 | Very high | 53 Ų | 53 | 43.4 Ų | 43.4 | 23% | 0.23 | 24% | 0.235 | C | C | . | . | trans | -94.9 | 76.7 | -174.5 | -167.1 | 172.5 | 176.7 | 161.2 | 0 | 110.7 | L354 Y356 R376 D377 D414 | L354-K405 WeakPolarHBondContact O-CB 3.36Å; L354-K405 PolarHBondContact O-N 2.96Å; Y356-K405 HydrophobicContact CD1-CB 4.1Å; Y356-K405 HydrophobicContact CD1-CD 4.42Å; Y356-K405 HydrophobicContact CD1-CG 4.28Å; Y356-K405 HydrophobicContact CE1-CB 4.32Å; Y356-K405 HydrophobicContact CE1-CG 4.36Å; R376-K405 HydrophobicContact CG-CD 4.34Å; R376-K405 HydrophobicContact CG-CG 4.23Å; R376-K405 VanDerWaalsContact NH1-CE 3.27Å; R376-K405 VanDerWaalsContact NH2-CG 3.33Å; R376-K405 WeakPolarHBondContact O-CE 3.32Å; R376-K405 PolarHBondContact O-NZ 3.22Å; D377-K405 WeakPolarHBondContact OD1-CE 3.25Å; D377-K405 IonicContact OD1-NZ 2.84Å; D377-K405 PolarHBondContact OD1-NZ 2.87Å; K405-D414 WeakPolarHBondContact CA-OD1 3.48Å | ||
| 406 | L | 92.8 | Very high | 91.7 | Very high | 17 Ų | 17 | 42.6 Ų | 42.6 | 9% | 0.089 | 23% | 0.233 | C | C | . | . | trans | -150.4 | 166 | 179.1 | 74.3 | 156.3 | 0 | 0 | 0 | 112.6 | M404 D414 P415 W469 | M404-L406 HydrophobicContact CB-CD2 3.33Å; M404-L406 HydrophobicContact CG-CD2 4.49Å; M404-L406 PolarHBondContact O-N 2.84Å; L406-D414 PolarHBondContact N-OD1 2.96Å; L406-D414 WeakPolarHBondContact O-CA 3.39Å; L406-D414 PolarHBondContact O-N 3.27Å; L406-P415 HydrophobicContact CD2-CG 3.7Å; L406-P415 HydrophobicContact CG-CG 4.37Å; L406-W469 HydrophobicContact CB-CD2 4.47Å; L406-W469 HydrophobicContact CB-CZ2 4.15Å; L406-W469 HydrophobicContact CD1-CB 4.44Å; L406-W469 HydrophobicContact CD1-CD2 3.79Å; L406-W469 HydrophobicContact CD1-CE3 4.01Å; L406-W469 HydrophobicContact CD1-CG 3.96Å; L406-W469 HydrophobicContact CD2-CD2 4.32Å; L406-W469 HydrophobicContact CD2-CE3 4.03Å; L406-W469 HydrophobicContact CD2-CH2 3.91Å; L406-W469 HydrophobicContact CD2-CZ2 4.15Å; L406-W469 HydrophobicContact CD2-CZ3 3.83Å; L406-W469 HydrophobicContact CG-CD2 4.43Å | ||
| 407 | V | 89.8 | Confident | 91.7 | Very high | 83 Ų | 83 | 39.7 Ų | 39.7 | 50% | 0.503 | 21% | 0.213 | S | C | . | . | B | Isolated β-bridge | trans | -108.5 | 124.4 | 167.1 | -167.8 | 0 | 0 | 0 | 0 | 107.6 | M413 | V407-M413 HydrophobicContact CB-SD 3.97Å; V407-M413 HydrophobicContact CG1-SD 3.65Å; V407-M413 HydrophobicContact CG2-CE 3.91Å; V407-M413 HydrophobicContact CG2-SD 3.3Å; V407-M413 WeakPolarHBondContact CG2-SD 3.29Å |
| 408 | M | 85.8 | Confident | 91.9 | Very high | 11 Ų | 11 | 35 Ų | 35 | 5% | 0.054 | 19% | 0.191 | C | C | . | . | trans | -75 | 162 | 176 | -62.6 | -174.4 | 64.7 | 0 | 0 | 111 | D410 G411 K412 P415 R463 | M408-D410 VanDerWaalsContact CB-OD1 3.23Å; M408-D410 WeakPolarHBondContact CB-OD1 3.32Å; M408-D410 PolarHBondContact O-N 3.37Å; M408-G411 PolarHBondContact O-N 3.14Å; M408-K412 HydrophobicContact CB-CB 4.15Å; M408-K412 WeakPolarHBondContact CB-O 3.22Å; M408-K412 HydrophobicContact CG-CB 4.37Å; M408-K412 WeakPolarHBondContact CG-O 3.47Å; M408-K412 PolarHBondContact N-O 3.05Å; M408-K412 HydrophobicContact SD-CB 4.11Å; M408-K412 HydrophobicContact SD-CD 4.02Å; M408-K412 HydrophobicContact SD-CG 4.33Å; M408-P415 HydrophobicContact CG-CG 4.18Å; M408-P415 HydrophobicContact SD-CB 4.07Å; M408-P415 HydrophobicContact SD-CG 3.88Å; M408-R463 HydrophobicContact CE-CB 4.32Å; M408-R463 HydrophobicContact CE-CG 4.01Å | ||
| 409 | E | 83.6 | Confident | 92.1 | Very high | 143 Ų | 143 | 37.8 Ų | 37.8 | 67% | 0.668 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -29.7 | -179.8 | -77.3 | 174.1 | 157.4 | 0 | 0 | 113.6 | G411 S465 | E409-G411 PolarHBondContact O-N 2.87Å; E409-S465 VanDerWaalsContact CG-OG 3.31Å; E409-S465 WeakPolarHBondContact CG-OG 3.37Å; E409-S465 WeakPolarHBondContact OE1-CB 3.41Å; E409-S465 WeakPolarHBondContact OE2-CB 3.25Å; E409-S465 PolarHBondContact OE2-OG 2.82Å |
| 410 | D | 82.5 | Confident | 92.2 | Very high | 70 Ų | 70 | 33.5 Ų | 33.5 | 37% | 0.374 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | 7.9 | 175.7 | 69 | -12 | 0 | 0 | 0 | 113.4 | M408 K412 | M408-D410 VanDerWaalsContact CB-OD1 3.23Å; M408-D410 WeakPolarHBondContact CB-OD1 3.32Å; M408-D410 PolarHBondContact O-N 3.37Å; D410-K412 VanDerWaalsContact C-N 3.28Å; D410-K412 PolarHBondContact O-N 3.49Å; D410-K412 WeakPolarHBondContact OD1-CB 3.43Å; D410-K412 PolarHBondContact OD1-N 2.81Å |
| 411 | G | 83.8 | Confident | 92.2 | Very high | 36 Ų | 36 | 36.1 Ų | 36.1 | 37% | 0.371 | 18% | 0.183 | S | C | . | . | S | Bend | trans | 81.6 | -1.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | M408 E409 M413 | M408-G411 PolarHBondContact O-N 3.14Å; E409-G411 PolarHBondContact O-N 2.87Å; G411-M413 PolarHBondContact O-N 3.38Å |
| 412 | K | 84.1 | Confident | 92.1 | Very high | 93 Ų | 93 | 40.7 Ų | 40.7 | 40% | 0.404 | 20% | 0.2 | S | C | . | . | trans | -66.3 | 121.1 | 179 | -173 | 177.1 | 179.9 | -178.4 | 0 | 110.6 | M408 D410 | M408-K412 HydrophobicContact CB-CB 4.15Å; M408-K412 WeakPolarHBondContact CB-O 3.22Å; M408-K412 HydrophobicContact CG-CB 4.37Å; M408-K412 WeakPolarHBondContact CG-O 3.47Å; M408-K412 PolarHBondContact N-O 3.05Å; M408-K412 HydrophobicContact SD-CB 4.11Å; M408-K412 HydrophobicContact SD-CD 4.02Å; M408-K412 HydrophobicContact SD-CG 4.33Å; D410-K412 VanDerWaalsContact C-N 3.28Å; D410-K412 PolarHBondContact O-N 3.49Å; D410-K412 WeakPolarHBondContact OD1-CB 3.43Å; D410-K412 PolarHBondContact OD1-N 2.81Å | ||
| 413 | M | 87.9 | Confident | 91.9 | Very high | 48 Ų | 48 | 44.5 Ų | 44.5 | 24% | 0.236 | 22% | 0.22 | C | C | . | . | B | Isolated β-bridge | trans | -84.6 | 132.5 | -179.4 | -66.5 | -71.1 | -63.9 | 0 | 0 | 111.8 | R403 V407 G411 | R403-M413 PolarHBondContact NH2-O 2.72Å; V407-M413 HydrophobicContact CB-SD 3.97Å; V407-M413 HydrophobicContact CG1-SD 3.65Å; V407-M413 HydrophobicContact CG2-CE 3.91Å; V407-M413 HydrophobicContact CG2-SD 3.3Å; V407-M413 WeakPolarHBondContact CG2-SD 3.29Å; G411-M413 PolarHBondContact O-N 3.38Å |
| 414 | D | 92.1 | Very high | 91.8 | Very high | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.011 | 24% | 0.242 | C | C | . | . | S | Bend | trans | 46.1 | 72.8 | 167 | -57.9 | -25.6 | 0 | 0 | 0 | 114.3 | Y356 R376 R403 M404 K405 L406 | Y356-D414 HydrophobicContact CE1-CB 4.1Å; Y356-D414 WeakPolarHBondContact CE1-OD2 3.37Å; Y356-D414 WeakPolarHBondContact OH-CB 3.18Å; Y356-D414 PolarHBondContact OH-OD2 3.19Å; R376-D414 VanDerWaalsContact CD-OD2 3.31Å; R376-D414 WeakPolarHBondContact CD-OD2 3.38Å; R376-D414 IonicContact CZ-OD1 2.77Å; R376-D414 IonicContact CZ-OD2 3.92Å; R376-D414 IonicContact NE-OD1 2.69Å; R376-D414 PolarHBondContact NE-OD1 2.82Å; R376-D414 VanDerWaalsContact NE-OD1 3.13Å; R376-D414 IonicContact NE-OD2 3.38Å; R376-D414 PolarHBondContact NE-OD2 2.9Å; R376-D414 IonicContact NH2-OD1 3.13Å; R376-D414 PolarHBondContact NH2-OD1 3.05Å; R376-D414 IonicContact NH2-OD2 2.79Å; R403-D414 HydrophobicContact CB-CB 4.25Å; R403-D414 PolarHBondContact NE-O 2.92Å; R403-D414 PolarHBondContact NH2-O 3.04Å; R403-D414 VanDerWaalsContact NH2-O 3.12Å; M404-D414 CarbonylContact O-C 3.47Å; M404-D414 WeakPolarHBondContact O-CA 3.04Å; M404-D414 WeakPolarHBondContact O-CB 3.18Å; K405-D414 WeakPolarHBondContact CA-OD1 3.48Å; L406-D414 PolarHBondContact N-OD1 2.96Å; L406-D414 WeakPolarHBondContact O-CA 3.39Å; L406-D414 PolarHBondContact O-N 3.27Å |
| 415 | P | 91.6 | Very high | 91.7 | Very high | 6 Ų | 6 | 47.5 Ų | 47.5 | 4% | 0.039 | 24% | 0.241 | C | C | . | . | trans | -57.6 | 143.2 | 178.6 | 21.2 | -31.7 | 0 | 0 | 0 | 112.5 | R403 M404 L406 M408 | R403-P415 WeakPolarHBondContact CA-O 3.41Å; M404-P415 HydrophobicContact CB-CG 4.37Å; M404-P415 HydrophobicContact CE-CB 3.79Å; M404-P415 HydrophobicContact CE-CG 3.6Å; M404-P415 PolarHBondContact N-O 2.98Å; L406-P415 HydrophobicContact CD2-CG 3.7Å; L406-P415 HydrophobicContact CG-CG 4.37Å; M408-P415 HydrophobicContact CG-CG 4.18Å; M408-P415 HydrophobicContact SD-CB 4.07Å; M408-P415 HydrophobicContact SD-CG 3.88Å | ||
| 416 | V | 93.9 | Very high | 91.5 | Very high | 20 Ų | 20 | 47.7 Ų | 47.7 | 12% | 0.121 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 128.3 | -179.9 | 179 | 0 | 0 | 0 | 0 | 110 | T401 L402 R403 Y418 R419 T437 | T401-V416 HydrophobicContact CG2-CG1 4.32Å; L402-V416 CarbonylContact O-C 3.55Å; R403-V416 HydrophobicContact CG-CG2 4.16Å; V416-Y418 WeakPolarHBondContact CG1-O 3.4Å; V416-R419 HydrophobicContact CG1-CG 3.83Å; V416-T437 HydrophobicContact CB-CG2 4.31Å; V416-T437 HydrophobicContact CG1-CG2 3.94Å; V416-T437 WeakPolarHBondContact O-CB 3.41Å; V416-T437 VanDerWaalsContact O-CG2 3.26Å; V416-T437 WeakPolarHBondContact O-CG2 3.2Å; V416-T437 PolarHBondContact O-OG1 3.19Å |
| 417 | A | 96.8 | Very high | 91.5 | Very high | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.008 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | -40.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L402 M404 P436 T437 Y440 | L402-A417 HydrophobicContact CD2-CB 4.29Å; L402-A417 HydrophobicContact CG-CB 4.47Å; L402-A417 PolarHBondContact O-N 2.87Å; M404-A417 HydrophobicContact CG-CB 4.08Å; A417-P436 CarbonylContact O-C 3.58Å; A417-P436 WeakPolarHBondContact O-CA 3.33Å; A417-T437 PolarHBondContact O-N 3.07Å; A417-T437 PolarHBondContact O-OG1 2.88Å; A417-Y440 HydrophobicContact CB-CD2 3.72Å; A417-Y440 HydrophobicContact CB-CE2 4.19Å; A417-Y440 HydrophobicContact CB-CG 4.08Å |
| 418 | Y | 98.2 | Very high | 91.7 | Very high | 3 Ų | 3 | 49.9 Ų | 49.9 | 1% | 0.012 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 148.2 | 179.6 | -78.8 | -106.2 | 0 | 0 | 0 | 113.2 | L342 Y343 A346 F387 T401 L402 V416 I434 Y435 P436 Y440 | L342-Y418 WeakPolarHBondContact CB-OH 3.47Å; L342-Y418 PolarHBondContact O-OH 2.7Å; Y343-Y418 VanDerWaalsContact CA-OH 3.32Å; Y343-Y418 WeakPolarHBondContact CA-OH 3.39Å; Y343-Y418 PolarHBondContact N-OH 2.9Å; A346-Y418 HydrophobicContact CB-CD2 4.14Å; A346-Y418 HydrophobicContact CB-CE2 3.5Å; A346-Y418 VanDerWaalsContact CB-CE2 3.5Å; F387-Y418 HydrophobicContact CE2-CD1 4.29Å; F387-Y418 HydrophobicContact CE2-CD2 4.24Å; F387-Y418 AromaticContact CE2-CG 3.9Å; F387-Y418 HydrophobicContact CE2-CG 3.9Å; F387-Y418 HydrophobicContact CZ-CD1 4.13Å; F387-Y418 AromaticContact CZ-CD2 3.94Å; F387-Y418 HydrophobicContact CZ-CD2 3.94Å; F387-Y418 HydrophobicContact CZ-CE1 4.37Å; F387-Y418 HydrophobicContact CZ-CE2 4.21Å; F387-Y418 AromaticContact CZ-CG 3.91Å; F387-Y418 HydrophobicContact CZ-CG 3.91Å; T401-Y418 WeakPolarHBondContact CA-O 3.35Å; L402-Y418 HydrophobicContact CB-CD2 4.47Å; L402-Y418 HydrophobicContact CD2-CD2 3.89Å; L402-Y418 PolarHBondContact N-O 2.89Å; L402-Y418 VanDerWaalsContact N-O 3.11Å; L402-Y418 PolarHBondContact O-N 3.34Å; V416-Y418 WeakPolarHBondContact CG1-O 3.4Å; Y418-I434 HydrophobicContact CD1-CB 4.16Å; Y418-I434 HydrophobicContact CD1-CD1 4.08Å; Y418-I434 HydrophobicContact CD1-CG1 4.19Å; Y418-I434 HydrophobicContact CE1-CD1 4.4Å; Y418-Y435 WeakPolarHBondContact CA-O 3.3Å; Y418-P436 HydrophobicContact CD1-CB 4.38Å; Y418-P436 HydrophobicContact CE1-CB 3.91Å; Y418-P436 HydrophobicContact CE1-CG 4.28Å; Y418-P436 HydrophobicContact CE2-CB 4.02Å; Y418-Y440 HydrophobicContact CE2-CD1 4.06Å; Y418-Y440 AromaticContact CE2-CE1 3.69Å; Y418-Y440 HydrophobicContact CE2-CE1 3.69Å |
| 419 | R | 96.7 | Very high | 92.1 | Very high | 90 Ų | 90 | 50.8 Ų | 50.8 | 34% | 0.34 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 148.3 | 173.9 | -60.5 | -179.9 | -176.4 | -85 | -1.1 | 110.8 | V416 I434 Y435 T437 | V416-R419 HydrophobicContact CG1-CG 3.83Å; R419-I434 CarbonylContact O-C 3.57Å; R419-I434 VanDerWaalsContact O-CA 3.31Å; R419-I434 WeakPolarHBondContact O-CA 3.33Å; R419-Y435 PolarHBondContact N-O 3.33Å; R419-Y435 PolarHBondContact O-N 2.86Å; R419-T437 HydrophobicContact CG-CG2 4.38Å |
| 420 | V | 96.8 | Very high | 92.7 | Very high | 5 Ų | 5 | 50.1 Ų | 50.1 | 3% | 0.03 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 130.2 | 170.6 | -177.5 | 0 | 0 | 0 | 0 | 109.6 | M390 F395 Y422 C433 I434 | M390-V420 HydrophobicContact CB-CG2 4.36Å; M390-V420 HydrophobicContact CE-CG2 4.05Å; M390-V420 HydrophobicContact CG-CG2 4.42Å; F395-V420 HydrophobicContact CB-CG2 4.46Å; V420-Y422 HydrophobicContact CG1-CD2 4.28Å; V420-Y422 HydrophobicContact CG1-CE2 3.62Å; V420-C433 CarbonylContact C-O 3.55Å; V420-C433 VanDerWaalsContact CA-O 3.32Å; V420-C433 WeakPolarHBondContact CA-O 3.39Å; V420-I434 HydrophobicContact CG2-CG2 4.12Å |
| 421 | K | 95.9 | Very high | 93.4 | Very high | 56 Ų | 56 | 52.5 Ų | 52.5 | 24% | 0.243 | 26% | 0.264 | C | S | . | . | trans | -144.5 | 136.8 | 171.3 | -65.5 | -177.9 | 173.2 | 175.5 | 0 | 109.8 | N306 P307 E397 C433 Y435 | N306-K421 PolarHBondContact OD1-NZ 2.9Å; P307-K421 HydrophobicContact CG-CB 3.89Å; P307-K421 HydrophobicContact CG-CD 3.74Å; P307-K421 HydrophobicContact CG-CG 4.46Å; E397-K421 VanDerWaalsContact OE1-CA 3.31Å; E397-K421 WeakPolarHBondContact OE1-CA 3.44Å; K421-C433 PolarHBondContact N-O 3.16Å; K421-C433 CarbonylContact O-C 3.59Å; K421-C433 WeakPolarHBondContact O-CA 3.4Å; K421-Y435 HydrophobicContact CB-CD2 3.8Å; K421-Y435 HydrophobicContact CB-CE2 4.01Å; K421-Y435 HydrophobicContact CG-CD2 4.47Å; K421-Y435 WeakPolarHBondContact O-CE2 3.34Å | ||
| 422 | Y | 95.9 | Very high | 94.1 | Very high | 101 Ų | 101 | 51.3 Ų | 51.3 | 40% | 0.396 | 25% | 0.248 | S | C | . | . | trans | -105.5 | -0.7 | -178.8 | -70.9 | -71.5 | 0 | 0 | 0 | 113.9 | G393 F395 E397 V420 P424 C433 | G393-Y422 VanDerWaalsContact C-OH 3.25Å; G393-Y422 VanDerWaalsContact CA-OH 3.24Å; G393-Y422 WeakPolarHBondContact CA-OH 3.28Å; G393-Y422 PolarHBondContact O-OH 3.22Å; G393-Y422 VanDerWaalsContact O-OH 3.11Å; F395-Y422 WeakPolarHBondContact O-CE2 3.37Å; F395-Y422 PolarHBondContact O-OH 2.91Å; E397-Y422 HydrophobicContact CG-CD2 3.77Å; E397-Y422 HydrophobicContact CG-CE2 4.32Å; E397-Y422 PolarHBondContact OE1-N 3.34Å; V420-Y422 HydrophobicContact CG1-CD2 4.28Å; V420-Y422 HydrophobicContact CG1-CE2 3.62Å; Y422-P424 WeakPolarHBondContact O-CD 3.4Å; Y422-C433 HydrophobicContact CD1-CB 3.91Å; Y422-C433 HydrophobicContact CE1-CB 3.77Å | ||
| 423 | I | 94.1 | Very high | 94.7 | Very high | 82 Ų | 82 | 47.7 Ų | 47.7 | 42% | 0.421 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -64.1 | 127.4 | 171.1 | -57.9 | 176.7 | 0 | 0 | 0 | 108 | P307 | P307-I423 HydrophobicContact CB-CB 4.24Å; P307-I423 HydrophobicContact CB-CG2 4.37Å; P307-I423 VanDerWaalsContact CB-O 3.27Å; P307-I423 WeakPolarHBondContact CB-O 3.27Å; P307-I423 HydrophobicContact CG-CB 4.38Å |
| 424 | P | 93.5 | Very high | 95.2 | Very high | 75 Ų | 75 | 45.4 Ų | 45.4 | 49% | 0.487 | 22% | 0.224 | S | C | . | . | P | Polyproline II helix | trans | -58.1 | 137.3 | 175.7 | -25.1 | 33.6 | 0 | 0 | 0 | 111.7 | Y422 D430 | Y422-P424 WeakPolarHBondContact O-CD 3.4Å; P424-D430 WeakPolarHBondContact CB-OD1 3Å; P424-D430 VanDerWaalsContact CG-OD1 3.27Å; P424-D430 WeakPolarHBondContact CG-OD1 3.31Å |
| 425 | H | 94.3 | Very high | 95.5 | Very high | 3 Ų | 3 | 45.6 Ų | 45.6 | 1% | 0.014 | 22% | 0.224 | C | C | . | . | B | Isolated β-bridge | trans | -80.3 | 137.1 | 176.5 | -168.6 | -93.8 | 0 | 0 | 0 | 111.3 | D304 P307 S336 R427 T428 G429 Y435 | D304-H425 PolarHBondContact O-NE2 3.13Å; D304-H425 IonicContact OD2-CE1 3.26Å; D304-H425 PolarHBondContact OD2-CE1 3.27Å; D304-H425 IonicContact OD2-NE2 2.96Å; P307-H425 HydrophobicContact CB-CB 4.42Å; S336-H425 VanDerWaalsContact CB-CE1 3.49Å; S336-H425 WeakPolarHBondContact CB-CE1 3.36Å; H425-R427 VanDerWaalsContact C-N 3.26Å; H425-R427 PolarHBondContact ND1-N 2.83Å; H425-R427 VanDerWaalsContact ND1-N 3.16Å; H425-R427 PolarHBondContact O-N 3.36Å; H425-R427 VanDerWaalsContact O-N 3.16Å; H425-T428 WeakPolarHBondContact CB-OG1 3.4Å; H425-T428 VanDerWaalsContact CG-OG1 3.27Å; H425-T428 PolarHBondContact ND1-N 3.34Å; H425-T428 PolarHBondContact ND1-OG1 3.32Å; H425-T428 PolarHBondContact O-N 2.94Å; H425-G429 PolarHBondContact N-O 3.44Å; H425-G429 VanDerWaalsContact O-CA 3.27Å; H425-G429 WeakPolarHBondContact O-CA 3.38Å; H425-G429 PolarHBondContact O-N 3.19Å; H425-Y435 HydrophobicContact CB-CE1 4.08Å; H425-Y435 AromaticContact CD2-CE1 3.73Å |
| 426 | H | 90.8 | Very high | 95.8 | Very high | 56 Ų | 56 | 45.6 Ų | 45.6 | 26% | 0.259 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -33.8 | -175.7 | 76.8 | 110.2 | 0 | 0 | 0 | 113.9 | D304 E310 | D304-H426 WeakPolarHBondContact CB-NE2 3.35Å; D304-H426 IonicContact OD2-NE2 2.77Å; D304-H426 PolarHBondContact OD2-NE2 3.13Å; E310-H426 HydrophobicContact CB-CB 3.91Å; E310-H426 IonicContact OE1-CE1 3.5Å; E310-H426 IonicContact OE1-ND1 3.52Å; E310-H426 PolarHBondContact OE1-ND1 2.77Å; E310-H426 IonicContact OE2-CE1 3.61Å; E310-H426 IonicContact OE2-CG 2.71Å; E310-H426 IonicContact OE2-ND1 3.34Å; E310-H426 PolarHBondContact OE2-ND1 3.44Å |
| 427 | R | 92.6 | Very high | 95.8 | Very high | 112 Ų | 112 | 45.7 Ų | 45.7 | 42% | 0.423 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | -36.9 | 177 | -73.8 | 171.4 | 66.6 | 77 | -1.4 | 115.6 | D304 Y334 S336 D337 H425 | D304-R427 WeakPolarHBondContact OD2-CD 3.47Å; Y334-R427 VanDerWaalsContact CD1-CD 3.43Å; S336-R427 PolarHBondContact OG-NE 3.28Å; D337-R427 IonicContact OD1-CZ 2.74Å; D337-R427 IonicContact OD1-NE 2.66Å; D337-R427 IonicContact OD1-NH2 2.91Å; D337-R427 PolarHBondContact OD1-NH2 3.01Å; H425-R427 VanDerWaalsContact C-N 3.26Å; H425-R427 PolarHBondContact ND1-N 2.83Å; H425-R427 VanDerWaalsContact ND1-N 3.16Å; H425-R427 PolarHBondContact O-N 3.36Å; H425-R427 VanDerWaalsContact O-N 3.16Å |
| 428 | T | 95.1 | Very high | 95.5 | Very high | 34 Ų | 34 | 49.1 Ų | 49.1 | 21% | 0.209 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107 | 1.9 | -169.4 | 58.7 | 0 | 0 | 0 | 0 | 112.2 | F339 H425 D430 K431 | F339-T428 HydrophobicContact CD2-CG2 4.28Å; H425-T428 WeakPolarHBondContact CB-OG1 3.4Å; H425-T428 VanDerWaalsContact CG-OG1 3.27Å; H425-T428 PolarHBondContact ND1-N 3.34Å; H425-T428 PolarHBondContact ND1-OG1 3.32Å; H425-T428 PolarHBondContact O-N 2.94Å; T428-D430 PolarHBondContact O-N 3.25Å; T428-K431 WeakPolarHBondContact O-CB 3.17Å; T428-K431 PolarHBondContact O-N 2.92Å; T428-K431 VanDerWaalsContact O-N 3.13Å |
| 429 | G | 94.4 | Very high | 95.2 | Very high | 30 Ų | 30 | 51 Ų | 51 | 31% | 0.309 | 25% | 0.248 | S | C | . | . | B | Isolated β-bridge | trans | 54.9 | -130.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | H425 | H425-G429 PolarHBondContact N-O 3.44Å; H425-G429 VanDerWaalsContact O-CA 3.27Å; H425-G429 WeakPolarHBondContact O-CA 3.38Å; H425-G429 PolarHBondContact O-N 3.19Å |
| 430 | D | 95.9 | Very high | 95.1 | Very high | 129 Ų | 129 | 46.7 Ų | 46.7 | 69% | 0.69 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | 15.8 | -179.9 | -57 | -34.2 | 0 | 0 | 0 | 112.8 | P424 T428 W432 | P424-D430 WeakPolarHBondContact CB-OD1 3Å; P424-D430 VanDerWaalsContact CG-OD1 3.27Å; P424-D430 WeakPolarHBondContact CG-OD1 3.31Å; T428-D430 PolarHBondContact O-N 3.25Å; D430-W432 PolarHBondContact O-N 2.95Å |
| 431 | K | 97.4 | Very high | 95.1 | Very high | 121 Ų | 121 | 46.4 Ų | 46.4 | 53% | 0.526 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -60 | -31.6 | 176.7 | -178.4 | -178.4 | 168.9 | -171.6 | 0 | 111.5 | D340 T428 | D340-K431 VanDerWaalsContact CG-NZ 3.31Å; D340-K431 IonicContact OD1-NZ 3.09Å; D340-K431 PolarHBondContact OD1-NZ 3.15Å; D340-K431 IonicContact OD2-NZ 3.6Å; D340-K431 PolarHBondContact OD2-NZ 3.33Å; T428-K431 WeakPolarHBondContact O-CB 3.17Å; T428-K431 PolarHBondContact O-N 2.92Å; T428-K431 VanDerWaalsContact O-N 3.13Å |
| 432 | W | 97.8 | Very high | 95.1 | Very high | 10 Ų | 10 | 44.1 Ų | 44.1 | 4% | 0.038 | 22% | 0.22 | C | C | . | . | trans | -126.2 | 135.5 | -176.3 | -63.8 | 100.6 | 0 | 0 | 0 | 111.3 | F339 D340 Y343 R391 D430 I434 Y435 | F339-W432 HydrophobicContact CB-CZ2 4.01Å; F339-W432 AromaticContact CD2-CD1 3.78Å; F339-W432 HydrophobicContact CD2-CG 4.33Å; F339-W432 AromaticContact CD2-NE1 3.94Å; D340-W432 VanDerWaalsContact OD1-CZ2 3.23Å; D340-W432 WeakPolarHBondContact OD1-CZ2 3.34Å; Y343-W432 HydrophobicContact CD1-CH2 4.34Å; Y343-W432 HydrophobicContact CD2-CH2 4.35Å; Y343-W432 AromaticContact CD2-CZ3 3.92Å; Y343-W432 HydrophobicContact CD2-CZ3 3.92Å; Y343-W432 AromaticContact CG-CH2 3.84Å; Y343-W432 HydrophobicContact CG-CH2 3.84Å; Y343-W432 AromaticContact CG-CZ3 3.9Å; Y343-W432 HydrophobicContact CG-CZ3 3.9Å; R391-W432 HydrophobicContact CG-CE3 4.47Å; R391-W432 HydrophobicContact CG-CZ3 4.24Å; D430-W432 PolarHBondContact O-N 2.95Å; W432-I434 HydrophobicContact CE3-CG1 4.12Å; W432-I434 HydrophobicContact CZ3-CG1 4.49Å; W432-Y435 HydrophobicContact CB-CE1 4.34Å; W432-Y435 PolarHBondContact O-OH 3.09Å | ||
| 433 | C | 97.2 | Very high | 95.1 | Very high | 17 Ų | 17 | 39.4 Ų | 39.4 | 12% | 0.115 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -117.6 | 7.3 | 166.5 | 65.5 | 0 | 0 | 0 | 0 | 112.2 | M390 R391 G393 V420 K421 Y422 | M390-C433 PolarHBondContact O-SG 3.27Å; R391-C433 PolarHBondContact O-SG 3.44Å; G393-C433 PolarHBondContact N-SG 2.96Å; V420-C433 CarbonylContact C-O 3.55Å; V420-C433 VanDerWaalsContact CA-O 3.32Å; V420-C433 WeakPolarHBondContact CA-O 3.39Å; K421-C433 PolarHBondContact N-O 3.16Å; K421-C433 CarbonylContact O-C 3.59Å; K421-C433 WeakPolarHBondContact O-CA 3.4Å; Y422-C433 HydrophobicContact CD1-CB 3.91Å; Y422-C433 HydrophobicContact CE1-CB 3.77Å |
| 434 | I | 98.1 | Very high | 95.3 | Very high | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 136.8 | 171.5 | 59.2 | 168.1 | 0 | 0 | 0 | 108.6 | Y343 F387 M390 R391 Y418 R419 V420 W432 | Y343-I434 HydrophobicContact CD2-CD1 3.94Å; Y343-I434 HydrophobicContact CE2-CD1 4Å; F387-I434 HydrophobicContact CD2-CD1 4.48Å; F387-I434 HydrophobicContact CE2-CD1 3.71Å; F387-I434 HydrophobicContact CZ-CD1 3.79Å; M390-I434 HydrophobicContact CB-CG2 3.84Å; M390-I434 HydrophobicContact CE-CG2 4.5Å; M390-I434 WeakPolarHBondContact O-CG2 3.32Å; R391-I434 HydrophobicContact CB-CD1 3.68Å; R391-I434 HydrophobicContact CB-CG1 4.23Å; R391-I434 HydrophobicContact CG-CD1 4.19Å; R391-I434 HydrophobicContact CG-CG1 4.46Å; Y418-I434 HydrophobicContact CD1-CB 4.16Å; Y418-I434 HydrophobicContact CD1-CD1 4.08Å; Y418-I434 HydrophobicContact CD1-CG1 4.19Å; Y418-I434 HydrophobicContact CE1-CD1 4.4Å; R419-I434 CarbonylContact O-C 3.57Å; R419-I434 VanDerWaalsContact O-CA 3.31Å; R419-I434 WeakPolarHBondContact O-CA 3.33Å; V420-I434 HydrophobicContact CG2-CG2 4.12Å; W432-I434 HydrophobicContact CE3-CG1 4.12Å; W432-I434 HydrophobicContact CZ3-CG1 4.49Å |
| 435 | Y | 97.9 | Very high | 95.5 | Very high | 5 Ų | 5 | 31.9 Ų | 31.9 | 2% | 0.02 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 135.3 | -174.3 | -65.7 | -91.7 | 0 | 0 | 0 | 110.5 | T305 P307 F339 Y418 R419 K421 H425 W432 | T305-Y435 WeakPolarHBondContact O-CD1 3.31Å; P307-Y435 HydrophobicContact CB-CE1 4.06Å; P307-Y435 HydrophobicContact CB-CE2 4.25Å; P307-Y435 HydrophobicContact CG-CD1 4.25Å; P307-Y435 HydrophobicContact CG-CD2 3.88Å; P307-Y435 HydrophobicContact CG-CE1 4.03Å; P307-Y435 HydrophobicContact CG-CE2 3.66Å; P307-Y435 HydrophobicContact CG-CG 4.17Å; F339-Y435 HydrophobicContact CE2-CD1 4.05Å; F339-Y435 HydrophobicContact CE2-CE1 4.01Å; F339-Y435 AromaticContact CZ-CD1 3.98Å; F339-Y435 HydrophobicContact CZ-CD1 3.98Å; F339-Y435 HydrophobicContact CZ-CE1 4.35Å; Y418-Y435 WeakPolarHBondContact CA-O 3.3Å; R419-Y435 PolarHBondContact N-O 3.33Å; R419-Y435 PolarHBondContact O-N 2.86Å; K421-Y435 HydrophobicContact CB-CD2 3.8Å; K421-Y435 HydrophobicContact CB-CE2 4.01Å; K421-Y435 HydrophobicContact CG-CD2 4.47Å; K421-Y435 WeakPolarHBondContact O-CE2 3.34Å; H425-Y435 HydrophobicContact CB-CE1 4.08Å; H425-Y435 AromaticContact CD2-CE1 3.73Å; W432-Y435 HydrophobicContact CB-CE1 4.34Å; W432-Y435 PolarHBondContact O-OH 3.09Å |
| 436 | P | 97.9 | Very high | 95.7 | Very high | 6 Ų | 6 | 31.8 Ų | 31.8 | 4% | 0.039 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 153.1 | 176.3 | 30 | -33.7 | 0 | 0 | 0 | 111 | F339 L342 A417 Y418 Y440 T441 | F339-P436 HydrophobicContact CD1-CG 3.98Å; F339-P436 HydrophobicContact CE1-CG 3.87Å; L342-P436 HydrophobicContact CD1-CG 4.01Å; A417-P436 CarbonylContact O-C 3.58Å; A417-P436 WeakPolarHBondContact O-CA 3.33Å; Y418-P436 HydrophobicContact CD1-CB 4.38Å; Y418-P436 HydrophobicContact CE1-CB 3.91Å; Y418-P436 HydrophobicContact CE1-CG 4.28Å; Y418-P436 HydrophobicContact CE2-CB 4.02Å; P436-Y440 HydrophobicContact CB-CD1 3.84Å; P436-T441 WeakPolarHBondContact CB-OG1 3.49Å; P436-T441 WeakPolarHBondContact CG-OG1 3.41Å |
| 437 | T | 95.1 | Very high | 96.1 | Very high | 22 Ų | 22 | 29.3 Ų | 29.3 | 14% | 0.135 | 15% | 0.148 | C | C | . | . | trans | -84.8 | 158.3 | 176.7 | 60.6 | 0 | 0 | 0 | 0 | 111.9 | V416 A417 R419 D439 Y440 T441 | V416-T437 HydrophobicContact CB-CG2 4.31Å; V416-T437 HydrophobicContact CG1-CG2 3.94Å; V416-T437 WeakPolarHBondContact O-CB 3.41Å; V416-T437 VanDerWaalsContact O-CG2 3.26Å; V416-T437 WeakPolarHBondContact O-CG2 3.2Å; V416-T437 PolarHBondContact O-OG1 3.19Å; A417-T437 PolarHBondContact O-N 3.07Å; A417-T437 PolarHBondContact O-OG1 2.88Å; R419-T437 HydrophobicContact CG-CG2 4.38Å; T437-D439 VanDerWaalsContact C-N 3.34Å; T437-D439 PolarHBondContact O-N 3.19Å; T437-Y440 PolarHBondContact O-N 3.11Å; T437-Y440 VanDerWaalsContact O-N 3.1Å; T437-T441 WeakPolarHBondContact O-CB 3.49Å; T437-T441 PolarHBondContact O-N 2.98Å; T437-T441 PolarHBondContact O-OG1 3.36Å; T437-T441 VanDerWaalsContact O-OG1 3.06Å | ||
| 438 | Y | 90.8 | Very high | 96.3 | Very high | 74 Ų | 74 | 26.2 Ų | 26.2 | 29% | 0.29 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -45.5 | -51.7 | 178.6 | -177.8 | -86.1 | 0 | 0 | 0 | 114 | D303 Y440 T441 H442 F460 | D303-Y438 WeakPolarHBondContact OD2-CD2 3.06Å; Y438-Y440 VanDerWaalsContact C-N 3.33Å; Y438-Y440 PolarHBondContact O-N 3.05Å; Y438-T441 PolarHBondContact O-N 2.88Å; Y438-H442 AromaticContact CD2-CD2 3.33Å; Y438-H442 WeakPolarHBondContact CD2-CD2 3.5Å; Y438-H442 AromaticContact CD2-NE2 3.53Å; Y438-H442 AromaticContact CE1-CD2 3.91Å; Y438-H442 AromaticContact CE2-CD2 3.15Å; Y438-H442 WeakPolarHBondContact CE2-CD2 3.49Å; Y438-H442 AromaticContact CE2-NE2 3.26Å; Y438-H442 VanDerWaalsContact CE2-NE2 3.26Å; Y438-H442 WeakPolarHBondContact CE2-NE2 3.22Å; Y438-H442 AromaticContact CG-CD2 3.78Å; Y438-H442 AromaticContact CZ-CD2 3.45Å; Y438-H442 VanDerWaalsContact CZ-CD2 3.45Å; Y438-H442 AromaticContact CZ-NE2 3.96Å; Y438-H442 PolarHBondContact O-N 3.25Å; Y438-F460 HydrophobicContact CD1-CE1 4.09Å; Y438-F460 HydrophobicContact CE1-CD1 4.15Å; Y438-F460 AromaticContact CE1-CE1 3.48Å; Y438-F460 HydrophobicContact CE1-CE1 3.48Å; Y438-F460 VanDerWaalsContact CE1-CE1 3.48Å; Y438-F460 AromaticContact CE1-CZ 3.87Å; Y438-F460 HydrophobicContact CE1-CZ 3.87Å |
| 439 | D | 90 | Very high | 96.5 | Very high | 41 Ų | 41 | 24.8 Ų | 24.8 | 22% | 0.219 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -64.2 | -38.3 | -176.8 | -67 | -43.7 | 0 | 0 | 0 | 112.3 | T437 C443 R463 | T437-D439 VanDerWaalsContact C-N 3.34Å; T437-D439 PolarHBondContact O-N 3.19Å; D439-C443 WeakPolarHBondContact O-CB 3.4Å; D439-R463 WeakPolarHBondContact OD1-CD 3.32Å; D439-R463 IonicContact OD1-CZ 3.19Å; D439-R463 IonicContact OD1-NE 2.76Å; D439-R463 IonicContact OD1-NH1 3.71Å; D439-R463 PolarHBondContact OD1-NH1 3.11Å; D439-R463 IonicContact OD2-CZ 3.79Å; D439-R463 IonicContact OD2-NH1 3.19Å; D439-R463 PolarHBondContact OD2-NH1 3.34Å |
| 440 | Y | 95.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -70.5 | -48.6 | 178 | -175.5 | -94.3 | 0 | 0 | 0 | 110.8 | L342 W345 A346 L349 M404 A417 Y418 P436 T437 Y438 L444 L470 | L342-Y440 HydrophobicContact CB-CE1 4.21Å; L342-Y440 HydrophobicContact CD2-CD1 4.39Å; L342-Y440 HydrophobicContact CD2-CE1 4.1Å; L342-Y440 PolarHBondContact O-OH 2.86Å; L342-Y440 VanDerWaalsContact O-OH 3.13Å; W345-Y440 VanDerWaalsContact C-OH 3.3Å; A346-Y440 VanDerWaalsContact CA-OH 3.29Å; A346-Y440 WeakPolarHBondContact CA-OH 3.46Å; A346-Y440 PolarHBondContact N-OH 3.24Å; L349-Y440 HydrophobicContact CD1-CE2 3.67Å; M404-Y440 HydrophobicContact SD-CD2 4.14Å; A417-Y440 HydrophobicContact CB-CD2 3.72Å; A417-Y440 HydrophobicContact CB-CE2 4.19Å; A417-Y440 HydrophobicContact CB-CG 4.08Å; Y418-Y440 HydrophobicContact CE2-CD1 4.06Å; Y418-Y440 AromaticContact CE2-CE1 3.69Å; Y418-Y440 HydrophobicContact CE2-CE1 3.69Å; P436-Y440 HydrophobicContact CB-CD1 3.84Å; T437-Y440 PolarHBondContact O-N 3.11Å; T437-Y440 VanDerWaalsContact O-N 3.1Å; Y438-Y440 VanDerWaalsContact C-N 3.33Å; Y438-Y440 PolarHBondContact O-N 3.05Å; Y440-L444 HydrophobicContact CD1-CD1 3.93Å; Y440-L444 HydrophobicContact CD2-CD1 4.1Å; Y440-L444 HydrophobicContact CE1-CD1 3.42Å; Y440-L444 VanDerWaalsContact CE1-CD1 3.42Å; Y440-L444 HydrophobicContact CE2-CD1 3.61Å; Y440-L444 HydrophobicContact CG-CD1 4.24Å; Y440-L444 WeakPolarHBondContact O-CB 3.22Å; Y440-L444 WeakPolarHBondContact O-CG 3.41Å; Y440-L444 PolarHBondContact O-N 3.47Å; Y440-L444 WeakPolarHBondContact OH-CD1 3.45Å; Y440-L470 HydrophobicContact CD2-CD1 4.08Å; Y440-L470 HydrophobicContact CD2-CD2 3.81Å; Y440-L470 HydrophobicContact CE2-CD1 3.87Å; Y440-L470 HydrophobicContact CE2-CD2 4.28Å; Y440-L470 HydrophobicContact CG-CD2 4.4Å |
| 441 | T | 97.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -63.4 | -58.5 | -175.7 | -61.8 | 0 | 0 | 0 | 0 | 111.7 | T305 A335 L342 P436 T437 Y438 C443 L444 C445 | T305-T441 HydrophobicContact CG2-CG2 3.35Å; T305-T441 VanDerWaalsContact CG2-OG1 3.22Å; T305-T441 WeakPolarHBondContact CG2-OG1 3.46Å; A335-T441 HydrophobicContact CB-CG2 3.64Å; L342-T441 HydrophobicContact CD1-CG2 4Å; P436-T441 WeakPolarHBondContact CB-OG1 3.49Å; P436-T441 WeakPolarHBondContact CG-OG1 3.41Å; T437-T441 WeakPolarHBondContact O-CB 3.49Å; T437-T441 PolarHBondContact O-N 2.98Å; T437-T441 PolarHBondContact O-OG1 3.36Å; T437-T441 VanDerWaalsContact O-OG1 3.06Å; Y438-T441 PolarHBondContact O-N 2.88Å; T441-C443 VanDerWaalsContact C-N 3.31Å; T441-C443 PolarHBondContact O-N 2.98Å; T441-L444 PolarHBondContact O-N 3.47Å; T441-L444 VanDerWaalsContact O-N 3.16Å; T441-C445 VanDerWaalsContact CG2-SG 3.52Å; T441-C445 WeakPolarHBondContact O-CB 3.46Å; T441-C445 PolarHBondContact O-N 2.96Å; T441-C445 PolarHBondContact O-SG 2.98Å |
| 442 | H | 94.8 | Very high | 96.9 | Very high | 7 Ų | 7 | 13 Ų | 13 | 3% | 0.032 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -67.8 | -34.4 | -167.8 | -77.8 | -58.4 | 0 | 0 | 0 | 112.8 | R301 D303 Y438 D446 | R301-H442 PolarHBondContact NH2-ND1 3.02Å; R301-H442 VanDerWaalsContact NH2-ND1 3.1Å; D303-H442 WeakPolarHBondContact CB-NE2 3.43Å; D303-H442 IonicContact OD1-NE2 3.8Å; D303-H442 IonicContact OD2-NE2 2.69Å; D303-H442 PolarHBondContact OD2-NE2 3.33Å; Y438-H442 AromaticContact CD2-CD2 3.33Å; Y438-H442 WeakPolarHBondContact CD2-CD2 3.5Å; Y438-H442 AromaticContact CD2-NE2 3.53Å; Y438-H442 AromaticContact CE1-CD2 3.91Å; Y438-H442 AromaticContact CE2-CD2 3.15Å; Y438-H442 WeakPolarHBondContact CE2-CD2 3.49Å; Y438-H442 AromaticContact CE2-NE2 3.26Å; Y438-H442 VanDerWaalsContact CE2-NE2 3.26Å; Y438-H442 WeakPolarHBondContact CE2-NE2 3.22Å; Y438-H442 AromaticContact CG-CD2 3.78Å; Y438-H442 AromaticContact CZ-CD2 3.45Å; Y438-H442 VanDerWaalsContact CZ-CD2 3.45Å; Y438-H442 AromaticContact CZ-NE2 3.96Å; Y438-H442 PolarHBondContact O-N 3.25Å; H442-D446 WeakPolarHBondContact O-CB 3.36Å; H442-D446 PolarHBondContact O-N 3Å |
| 443 | C | 95.8 | Very high | 96.8 | Very high | 2 Ų | 2 | 12.5 Ų | 12.5 | 1% | 0.014 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -58.8 | -48.8 | 172.7 | 177.1 | 0 | 0 | 0 | 0 | 111.9 | D439 T441 D446 S447 Y467 L470 | D439-C443 WeakPolarHBondContact O-CB 3.4Å; T441-C443 VanDerWaalsContact C-N 3.31Å; T441-C443 PolarHBondContact O-N 2.98Å; C443-D446 PolarHBondContact O-N 3.05Å; C443-S447 PolarHBondContact O-N 2.97Å; C443-Y467 VanDerWaalsContact CA-CE2 3.4Å; C443-Y467 HydrophobicContact CB-CD2 3.58Å; C443-Y467 HydrophobicContact CB-CE2 3.69Å; C443-Y467 HydrophobicContact CB-CG 4.13Å; C443-Y467 PolarHBondContact SG-O 3.38Å; C443-L470 HydrophobicContact CB-CD2 4.04Å |
| 444 | L | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -76.3 | -35.5 | -177.3 | -67.9 | -178.9 | 0 | 0 | 0 | 112.9 | L342 W345 Y440 T441 D446 S447 I448 L470 L474 I476 | L342-L444 HydrophobicContact CD2-CB 3.49Å; L342-L444 VanDerWaalsContact CD2-CB 3.49Å; L342-L444 HydrophobicContact CD2-CD1 3.93Å; L342-L444 HydrophobicContact CD2-CG 4.35Å; W345-L444 HydrophobicContact CB-CD1 4.47Å; W345-L444 HydrophobicContact CE3-CB 3.87Å; W345-L444 HydrophobicContact CE3-CD1 3.92Å; W345-L444 HydrophobicContact CE3-CD2 3.95Å; W345-L444 HydrophobicContact CE3-CG 4.13Å; W345-L444 HydrophobicContact CZ3-CB 3.74Å; W345-L444 HydrophobicContact CZ3-CD2 4.1Å; W345-L444 HydrophobicContact CZ3-CG 4.36Å; Y440-L444 HydrophobicContact CD1-CD1 3.93Å; Y440-L444 HydrophobicContact CD2-CD1 4.1Å; Y440-L444 HydrophobicContact CE1-CD1 3.42Å; Y440-L444 VanDerWaalsContact CE1-CD1 3.42Å; Y440-L444 HydrophobicContact CE2-CD1 3.61Å; Y440-L444 HydrophobicContact CG-CD1 4.24Å; Y440-L444 WeakPolarHBondContact O-CB 3.22Å; Y440-L444 WeakPolarHBondContact O-CG 3.41Å; Y440-L444 PolarHBondContact O-N 3.47Å; Y440-L444 WeakPolarHBondContact OH-CD1 3.45Å; T441-L444 PolarHBondContact O-N 3.47Å; T441-L444 VanDerWaalsContact O-N 3.16Å; L444-D446 VanDerWaalsContact C-N 3.28Å; L444-D446 PolarHBondContact O-N 2.81Å; L444-S447 VanDerWaalsContact O-CB 3.31Å; L444-S447 WeakPolarHBondContact O-CB 3.46Å; L444-S447 PolarHBondContact O-N 3.31Å; L444-S447 VanDerWaalsContact O-N 3.14Å; L444-I448 WeakPolarHBondContact O-CG1 3.44Å; L444-I448 PolarHBondContact O-N 2.92Å; L444-L470 HydrophobicContact CD1-CD1 4.45Å; L444-L470 HydrophobicContact CD1-CD2 4.09Å; L444-L470 HydrophobicContact CD1-CG 4.33Å; L444-L470 HydrophobicContact CD2-CD2 4.21Å; L444-L470 HydrophobicContact CD2-CG 3.91Å; L444-L470 HydrophobicContact CG-CD2 3.83Å; L444-L470 HydrophobicContact CG-CG 4.08Å; L444-L474 HydrophobicContact CD1-CD1 4.23Å; L444-L474 HydrophobicContact CD2-CD1 3.72Å; L444-I476 HydrophobicContact CD2-CD1 3.42Å; L444-I476 VanDerWaalsContact CD2-CD1 3.42Å |
| 445 | C | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -63.7 | -36.5 | 172.6 | -65.7 | 0 | 0 | 0 | 0 | 111.3 | R301 Y338 T441 S447 I448 E449 | R301-C445 VanDerWaalsContact NH1-C 3.31Å; R301-C445 VanDerWaalsContact NH1-CB 3.32Å; R301-C445 PolarHBondContact NH1-O 3.1Å; Y338-C445 HydrophobicContact CD2-CB 4.15Å; Y338-C445 VanDerWaalsContact CD2-SG 3.53Å; Y338-C445 HydrophobicContact CE2-CB 4.44Å; T441-C445 VanDerWaalsContact CG2-SG 3.52Å; T441-C445 WeakPolarHBondContact O-CB 3.46Å; T441-C445 PolarHBondContact O-N 2.96Å; T441-C445 PolarHBondContact O-SG 2.98Å; C445-S447 VanDerWaalsContact C-N 3.27Å; C445-S447 PolarHBondContact O-N 3.46Å; C445-I448 PolarHBondContact O-N 2.86Å; C445-E449 WeakPolarHBondContact O-CB 3.47Å; C445-E449 PolarHBondContact O-N 2.81Å |
| 446 | D | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -63.6 | -35.7 | 173.9 | -69.1 | -14.5 | 0 | 0 | 0 | 112.1 | R267 R301 H442 C443 L444 H450 I451 S454 Y467 P479 | R267-D446 WeakPolarHBondContact CD-OD1 3.39Å; R267-D446 IonicContact CZ-OD1 3.24Å; R267-D446 IonicContact CZ-OD2 3.77Å; R267-D446 VanDerWaalsContact CZ-OD2 3.31Å; R267-D446 IonicContact NE-OD1 3.62Å; R267-D446 PolarHBondContact NE-OD1 2.76Å; R267-D446 IonicContact NE-OD2 3.76Å; R267-D446 PolarHBondContact NE-OD2 3.02Å; R267-D446 IonicContact NH2-OD1 3.36Å; R267-D446 IonicContact NH2-OD2 2.89Å; R267-D446 PolarHBondContact NH2-OD2 3.35Å; R301-D446 IonicContact CZ-OD1 3.67Å; R301-D446 VanDerWaalsContact CZ-OD1 3.24Å; R301-D446 IonicContact NH1-OD1 3.93Å; R301-D446 PolarHBondContact NH1-OD1 2.82Å; R301-D446 IonicContact NH2-OD1 3.15Å; R301-D446 PolarHBondContact NH2-OD1 3.44Å; H442-D446 WeakPolarHBondContact O-CB 3.36Å; H442-D446 PolarHBondContact O-N 3Å; C443-D446 PolarHBondContact O-N 3.05Å; L444-D446 VanDerWaalsContact C-N 3.28Å; L444-D446 PolarHBondContact O-N 2.81Å; D446-H450 PolarHBondContact O-N 2.98Å; D446-I451 HydrophobicContact CB-CB 3.95Å; D446-I451 HydrophobicContact CB-CG1 3.97Å; D446-I451 WeakPolarHBondContact O-CB 2.92Å; D446-I451 PolarHBondContact O-N 3.18Å; D446-S454 PolarHBondContact OD2-OG 3.44Å; D446-Y467 WeakPolarHBondContact CB-OH 3.39Å; D446-Y467 VanDerWaalsContact CG-OH 3.29Å; D446-Y467 PolarHBondContact OD2-OH 2.88Å; D446-P479 HydrophobicContact CB-CB 4.22Å; D446-P479 HydrophobicContact CB-CG 3.63Å |
| 447 | S | 98.5 | Very high | 95.7 | Very high | 5 Ų | 5 | 13.3 Ų | 13.3 | 4% | 0.035 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -64.7 | -48.7 | 172 | -171 | 0 | 0 | 0 | 0 | 111.7 | C443 L444 C445 E449 H450 I476 Y477 | C443-S447 PolarHBondContact O-N 2.97Å; L444-S447 VanDerWaalsContact O-CB 3.31Å; L444-S447 WeakPolarHBondContact O-CB 3.46Å; L444-S447 PolarHBondContact O-N 3.31Å; L444-S447 VanDerWaalsContact O-N 3.14Å; C445-S447 VanDerWaalsContact C-N 3.27Å; C445-S447 PolarHBondContact O-N 3.46Å; S447-E449 PolarHBondContact O-N 3.06Å; S447-H450 PolarHBondContact O-N 3.08Å; S447-H450 VanDerWaalsContact O-N 3.07Å; S447-I476 WeakPolarHBondContact OG-CD1 3.3Å; S447-Y477 VanDerWaalsContact CB-O 3.27Å; S447-Y477 WeakPolarHBondContact CB-O 3.45Å; S447-Y477 PolarHBondContact OG-O 3.46Å |
| 448 | I | 98.5 | Very high | 95.1 | Very high | 46 Ų | 46 | 16 Ų | 16 | 24% | 0.236 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -58.5 | -46.6 | 179.1 | -66.3 | 164.8 | 0 | 0 | 0 | 111.2 | Y338 Q341 W345 L444 C445 H450 | Y338-I448 HydrophobicContact CD1-CD1 4.04Å; Y338-I448 HydrophobicContact CD1-CG2 3.76Å; Y338-I448 HydrophobicContact CE1-CG2 3.56Å; Y338-I448 HydrophobicContact CG-CD1 3.95Å; Q341-I448 HydrophobicContact CB-CD1 4.3Å; Q341-I448 HydrophobicContact CG-CD1 3.95Å; Q341-I448 HydrophobicContact CG-CG1 4.43Å; W345-I448 HydrophobicContact CE3-CD1 4.45Å; W345-I448 HydrophobicContact CH2-CD1 3.98Å; W345-I448 HydrophobicContact CH2-CG1 3.39Å; W345-I448 HydrophobicContact CZ3-CD1 3.56Å; W345-I448 HydrophobicContact CZ3-CG1 3.49Å; W345-I448 VanDerWaalsContact CZ3-CG1 3.49Å; L444-I448 WeakPolarHBondContact O-CG1 3.44Å; L444-I448 PolarHBondContact O-N 2.92Å; C445-I448 PolarHBondContact O-N 2.86Å; I448-H450 PolarHBondContact O-CD2 3.24Å; I448-H450 PolarHBondContact O-N 3.26Å |
| 449 | E | 98.5 | Very high | 94.4 | Very high | 5 Ų | 5 | 16.2 Ų | 16.2 | 2% | 0.023 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | 3.5 | -179.1 | -68.9 | 178.8 | 159.7 | 0 | 0 | 112.9 | R265 R301 T333 Y338 C445 S447 I451 | R265-E449 PolarHBondContact NE-O 3.38Å; R265-E449 PolarHBondContact NH2-O 2.83Å; R301-E449 WeakPolarHBondContact CD-OE2 3.32Å; R301-E449 IonicContact CZ-OE2 3.58Å; R301-E449 IonicContact NE-OE2 2.8Å; R301-E449 IonicContact NH1-OE2 2.67Å; R301-E449 PolarHBondContact NH1-OE2 2.69Å; T333-E449 WeakPolarHBondContact CB-OE1 3.32Å; T333-E449 PolarHBondContact OG1-OE1 2.67Å; Y338-E449 HydrophobicContact CE2-CG 4.23Å; Y338-E449 WeakPolarHBondContact CE2-OE1 3.2Å; Y338-E449 WeakPolarHBondContact OH-CG 3.21Å; Y338-E449 PolarHBondContact OH-OE1 3.2Å; C445-E449 WeakPolarHBondContact O-CB 3.47Å; C445-E449 PolarHBondContact O-N 2.81Å; S447-E449 PolarHBondContact O-N 3.06Å; E449-I451 VanDerWaalsContact C-N 3.25Å; E449-I451 HydrophobicContact CB-CD1 4.06Å; E449-I451 HydrophobicContact CB-CG1 4.07Å; E449-I451 PolarHBondContact O-N 3.47Å |
| 450 | H | 98.5 | Very high | 93.7 | Very high | 31 Ų | 31 | 16.5 Ų | 16.5 | 14% | 0.144 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.4 | 44.9 | -178.1 | -73.8 | -83.1 | 0 | 0 | 0 | 112.7 | H256 I259 T260 R265 D446 S447 I448 T452 Y477 | H256-H450 PolarHBondContact CE1-O 2.72Å; H256-H450 AromaticContact ND1-CG 3.81Å; H256-H450 AromaticContact ND1-ND1 3.33Å; H256-H450 PolarHBondContact ND1-ND1 3.05Å; I259-H450 VanDerWaalsContact CD1-CE1 3.49Å; I259-H450 WeakPolarHBondContact CD1-CE1 3.25Å; I259-H450 WeakPolarHBondContact CD1-NE2 3.49Å; T260-H450 HydrophobicContact CG2-CB 3.76Å; R265-H450 WeakPolarHBondContact CD-O 3.36Å; D446-H450 PolarHBondContact O-N 2.98Å; S447-H450 PolarHBondContact O-N 3.08Å; S447-H450 VanDerWaalsContact O-N 3.07Å; I448-H450 PolarHBondContact O-CD2 3.24Å; I448-H450 PolarHBondContact O-N 3.26Å; H450-T452 PolarHBondContact O-N 3.12Å; H450-Y477 AromaticContact ND1-CD1 3.73Å; H450-Y477 AromaticContact ND1-CG 3.95Å |
| 451 | I | 98.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.097 | C | C | . | . | trans | -63.2 | 126.5 | 177.2 | -61 | -59.1 | 0 | 0 | 0 | 109.2 | R265 R267 F299 D446 E449 Y477 P479 | R265-I451 HydrophobicContact CB-CD1 4.49Å; R267-I451 HydrophobicContact CB-CD1 3.98Å; R267-I451 HydrophobicContact CG-CD1 4.39Å; F299-I451 HydrophobicContact CD2-CD1 3.89Å; F299-I451 HydrophobicContact CE2-CD1 4.34Å; D446-I451 HydrophobicContact CB-CB 3.95Å; D446-I451 HydrophobicContact CB-CG1 3.97Å; D446-I451 WeakPolarHBondContact O-CB 2.92Å; D446-I451 PolarHBondContact O-N 3.18Å; E449-I451 VanDerWaalsContact C-N 3.25Å; E449-I451 HydrophobicContact CB-CD1 4.06Å; E449-I451 HydrophobicContact CB-CG1 4.07Å; E449-I451 PolarHBondContact O-N 3.47Å; I451-Y477 WeakPolarHBondContact O-CE1 3.13Å; I451-Y477 PolarHBondContact O-OH 2.79Å; I451-Y477 VanDerWaalsContact O-OH 3.08Å; I451-P479 VanDerWaalsContact O-CB 3.24Å; I451-P479 WeakPolarHBondContact O-CB 3.44Å | ||
| 452 | T | 98.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -83 | -44 | 176.3 | 57.7 | 0 | 0 | 0 | 0 | 111 | H232 P234 R265 H450 | H232-T452 PolarHBondContact CE1-O 3.31Å; H232-T452 PolarHBondContact NE2-O 3.19Å; P234-T452 HydrophobicContact CB-CG2 4.11Å; P234-T452 HydrophobicContact CG-CG2 4.36Å; R265-T452 HydrophobicContact CB-CG2 4.33Å; R265-T452 PolarHBondContact N-OG1 2.97Å; R265-T452 PolarHBondContact O-N 3.46Å; R265-T452 PolarHBondContact O-OG1 3.39Å; H450-T452 PolarHBondContact O-N 3.12Å |
| 453 | H | 97.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 96.7 | -174.1 | -62.8 | 76.6 | 0 | 0 | 0 | 108.7 | F231 H232 R265 T266 Y290 L455 | F231-H453 AromaticContact CD2-CD2 3.81Å; H232-H453 AromaticContact CE1-CD2 3.66Å; H232-H453 AromaticContact CE1-CE1 3.65Å; H232-H453 AromaticContact CE1-NE2 3.42Å; H232-H453 PolarHBondContact CE1-NE2 3.47Å; H232-H453 AromaticContact ND1-CD2 3.8Å; H232-H453 AromaticContact ND1-CE1 3.95Å; H232-H453 AromaticContact ND1-NE2 3.36Å; H232-H453 PolarHBondContact ND1-NE2 3.44Å; H232-H453 PolarHBondContact O-CE1 2.87Å; H232-H453 PolarHBondContact O-NE2 2.99Å; H232-H453 VanDerWaalsContact O-NE2 3.08Å; R265-H453 PolarHBondContact O-N 3.32Å; T266-H453 HydrophobicContact CG2-CB 4.09Å; Y290-H453 HydrophobicContact CD1-CB 4.45Å; Y290-H453 HydrophobicContact CE1-CB 4.13Å; Y290-H453 AromaticContact CE1-CD2 3.56Å; Y290-H453 AromaticContact CE1-CE1 3.77Å; Y290-H453 AromaticContact CE1-CG 3.53Å; Y290-H453 AromaticContact CE1-ND1 3.64Å; Y290-H453 AromaticContact CE1-NE2 3.72Å; Y290-H453 AromaticContact CZ-CD2 3.75Å; Y290-H453 AromaticContact CZ-NE2 3.68Å; Y290-H453 PolarHBondContact OH-CD2 2.99Å; Y290-H453 PolarHBondContact OH-CE1 2.9Å; Y290-H453 PolarHBondContact OH-NE2 3.06Å; H453-L455 HydrophobicContact CB-CD2 4.06Å; H453-L455 HydrophobicContact CB-CG 4.34Å; H453-L455 PolarHBondContact O-N 2.99Å |
| 454 | S | 96.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 91.2 | 173.6 | 160.6 | 0 | 0 | 0 | 0 | 108.9 | R267 D446 V480 Q481 W482 | R267-S454 VanDerWaalsContact CZ-OG 3.32Å; R267-S454 PolarHBondContact NH2-OG 3.48Å; D446-S454 PolarHBondContact OD2-OG 3.44Å; S454-V480 PolarHBondContact N-O 3.35Å; S454-Q481 WeakPolarHBondContact O-CA 3.38Å; S454-W482 PolarHBondContact O-N 2.85Å |
| 455 | L | 93.2 | Very high | 89.5 | Confident | 3 Ų | 3 | 30.1 Ų | 30.1 | 2% | 0.016 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 122.9 | -178.3 | -47.1 | 175.7 | 0 | 0 | 0 | 109.6 | F231 T266 R267 F286 N287 H453 W482 Y484 | F231-L455 HydrophobicContact CE2-CD2 3.88Å; F231-L455 HydrophobicContact CZ-CD2 4.25Å; T266-L455 HydrophobicContact CG2-CD1 4.42Å; R267-L455 PolarHBondContact NH1-O 3.26Å; R267-L455 VanDerWaalsContact NH1-O 3.15Å; F286-L455 HydrophobicContact CD1-CB 3.92Å; F286-L455 HydrophobicContact CD1-CD1 3.59Å; F286-L455 HydrophobicContact CD1-CG 4.21Å; F286-L455 HydrophobicContact CD2-CD1 4.47Å; F286-L455 HydrophobicContact CE1-CB 4.01Å; F286-L455 HydrophobicContact CE1-CD1 3.66Å; F286-L455 HydrophobicContact CE1-CD2 3.93Å; F286-L455 HydrophobicContact CE1-CG 4.06Å; F286-L455 HydrophobicContact CE2-CD1 4.49Å; F286-L455 HydrophobicContact CG-CD1 4.02Å; F286-L455 HydrophobicContact CZ-CD1 4.11Å; F286-L455 HydrophobicContact CZ-CD2 4.37Å; N287-L455 WeakPolarHBondContact OD1-CB 3.3Å; H453-L455 HydrophobicContact CB-CD2 4.06Å; H453-L455 HydrophobicContact CB-CG 4.34Å; H453-L455 PolarHBondContact O-N 2.99Å; L455-W482 WeakPolarHBondContact CA-O 3.38Å; L455-W482 HydrophobicContact CD2-CB 3.84Å; L455-W482 HydrophobicContact CD2-CG 4.46Å; L455-Y484 HydrophobicContact CB-CD1 4.47Å; L455-Y484 HydrophobicContact CB-CE1 4.22Å |
| 456 | C | 91 | Very high | 89 | Confident | 12 Ų | 12 | 30.9 Ų | 30.9 | 8% | 0.081 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 173.5 | 178.7 | 66.4 | 0 | 0 | 0 | 0 | 111.9 | F460 Q481 W482 E483 Y484 | C456-F460 HydrophobicContact CB-CD2 4.49Å; C456-Q481 PolarHBondContact SG-NE2 3.05Å; C456-W482 PolarHBondContact N-O 2.75Å; C456-E483 CarbonylContact O-C 3.57Å; C456-E483 VanDerWaalsContact O-CA 3.24Å; C456-E483 WeakPolarHBondContact O-CA 3.06Å; C456-Y484 WeakPolarHBondContact O-CD1 3.41Å; C456-Y484 VanDerWaalsContact O-CE1 3.27Å; C456-Y484 WeakPolarHBondContact O-CE1 3.24Å; C456-Y484 PolarHBondContact O-N 3Å |
| 457 | T | 87 | Confident | 88.8 | Confident | 32 Ų | 32 | 31.7 Ų | 31.7 | 20% | 0.196 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 157.2 | 178.4 | 62.4 | 0 | 0 | 0 | 0 | 111.9 | E459 F460 Y484 | T457-E459 WeakPolarHBondContact CB-OE2 3.32Å; T457-E459 PolarHBondContact O-N 3.08Å; T457-E459 VanDerWaalsContact O-N 3.1Å; T457-E459 PolarHBondContact OG1-OE2 2.99Å; T457-F460 PolarHBondContact O-N 3.18Å; T457-F460 VanDerWaalsContact O-N 3.14Å; T457-Y484 CarbonylContact C-O 3.6Å; T457-Y484 VanDerWaalsContact CA-O 3.27Å; T457-Y484 WeakPolarHBondContact CA-O 3.28Å; T457-Y484 HydrophobicContact CG2-CE2 3.85Å |
| 458 | K | 80.9 | Confident | 88.6 | Confident | 79 Ų | 79 | 31.9 Ų | 31.9 | 34% | 0.343 | 16% | 0.158 | S | C | . | . | G | 310 helix | trans | -57.9 | -22.7 | -175.2 | -174.4 | 173 | 178.9 | -178.6 | 0 | 115.1 | F460 Q461 Y484 V543 | K458-F460 PolarHBondContact O-N 3.21Å; K458-Q461 VanDerWaalsContact CE-OE1 3.23Å; K458-Q461 HydrophobicContact CG-CB 4.35Å; K458-Q461 VanDerWaalsContact O-CB 3.22Å; K458-Q461 WeakPolarHBondContact O-CB 3.16Å; K458-Q461 PolarHBondContact O-N 2.88Å; K458-Y484 PolarHBondContact N-O 3.39Å; K458-V543 HydrophobicContact CD-CG1 4.12Å; K458-V543 VanDerWaalsContact CD-O 3.26Å; K458-V543 WeakPolarHBondContact CD-O 3.49Å |
| 459 | E | 76.7 | Confident | 88.5 | Confident | 77 Ų | 77 | 32.7 Ų | 32.7 | 36% | 0.36 | 16% | 0.159 | S | C | . | . | G | 310 helix | trans | -58.5 | -18.8 | 176.8 | -60.8 | 78.8 | -173.1 | 0 | 0 | 112.6 | T457 Q545 | T457-E459 WeakPolarHBondContact CB-OE2 3.32Å; T457-E459 PolarHBondContact O-N 3.08Å; T457-E459 VanDerWaalsContact O-N 3.1Å; T457-E459 PolarHBondContact OG1-OE2 2.99Å; E459-Q545 PolarHBondContact OE1-NE2 3Å |
| 460 | F | 75.1 | Confident | 88.4 | Confident | 47 Ų | 47 | 32.7 Ų | 32.7 | 21% | 0.206 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -98.3 | 2.7 | 177.3 | -59.6 | -80.7 | 0 | 0 | 0 | 114.1 | Y438 C456 T457 K458 A462 R463 | Y438-F460 HydrophobicContact CD1-CE1 4.09Å; Y438-F460 HydrophobicContact CE1-CD1 4.15Å; Y438-F460 AromaticContact CE1-CE1 3.48Å; Y438-F460 HydrophobicContact CE1-CE1 3.48Å; Y438-F460 VanDerWaalsContact CE1-CE1 3.48Å; Y438-F460 AromaticContact CE1-CZ 3.87Å; Y438-F460 HydrophobicContact CE1-CZ 3.87Å; C456-F460 HydrophobicContact CB-CD2 4.49Å; T457-F460 PolarHBondContact O-N 3.18Å; T457-F460 VanDerWaalsContact O-N 3.14Å; K458-F460 PolarHBondContact O-N 3.21Å; F460-A462 PolarHBondContact O-N 3.21Å; F460-R463 WeakPolarHBondContact O-CA 3.29Å; F460-R463 VanDerWaalsContact O-CB 3.3Å; F460-R463 WeakPolarHBondContact O-CB 3.49Å; F460-R463 PolarHBondContact O-N 3.44Å |
| 461 | Q | 75.9 | Confident | 88.4 | Confident | 77 Ų | 77 | 31.2 Ų | 31.2 | 36% | 0.36 | 15% | 0.152 | S | C | . | . | G | 310 helix | trans | -59 | -44.1 | -175.6 | -174.4 | -178.8 | 6.5 | 0 | 0 | 112.8 | K458 R463 R464 E483 | K458-Q461 VanDerWaalsContact CE-OE1 3.23Å; K458-Q461 HydrophobicContact CG-CB 4.35Å; K458-Q461 VanDerWaalsContact O-CB 3.22Å; K458-Q461 WeakPolarHBondContact O-CB 3.16Å; K458-Q461 PolarHBondContact O-N 2.88Å; Q461-R463 PolarHBondContact O-N 2.92Å; Q461-R464 WeakPolarHBondContact O-CB 3.36Å; Q461-R464 PolarHBondContact O-N 3.43Å; Q461-R464 VanDerWaalsContact O-N 3.09Å; Q461-E483 HydrophobicContact CB-CG 4Å; Q461-E483 HydrophobicContact CG-CG 4.36Å |
| 462 | A | 68.3 | Low | 88.3 | Confident | 48 Ų | 48 | 32.6 Ų | 32.6 | 40% | 0.397 | 16% | 0.159 | S | C | . | . | G | 310 helix | trans | -63.4 | -11.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | F460 | F460-A462 PolarHBondContact O-N 3.21Š|
| 463 | R | 79.4 | Confident | 88.3 | Confident | 79 Ų | 79 | 33.2 Ų | 33.2 | 30% | 0.298 | 16% | 0.164 | S | C | . | . | G | 310 helix | trans | -97 | -5 | 179.3 | -48.9 | -166.2 | -174.8 | -176.8 | -4.8 | 112.9 | M408 D439 F460 Q461 S465 S466 Y467 | M408-R463 HydrophobicContact CE-CB 4.32Å; M408-R463 HydrophobicContact CE-CG 4.01Å; D439-R463 WeakPolarHBondContact OD1-CD 3.32Å; D439-R463 IonicContact OD1-CZ 3.19Å; D439-R463 IonicContact OD1-NE 2.76Å; D439-R463 IonicContact OD1-NH1 3.71Å; D439-R463 PolarHBondContact OD1-NH1 3.11Å; D439-R463 IonicContact OD2-CZ 3.79Å; D439-R463 IonicContact OD2-NH1 3.19Å; D439-R463 PolarHBondContact OD2-NH1 3.34Å; F460-R463 WeakPolarHBondContact O-CA 3.29Å; F460-R463 VanDerWaalsContact O-CB 3.3Å; F460-R463 WeakPolarHBondContact O-CB 3.49Å; F460-R463 PolarHBondContact O-N 3.44Å; Q461-R463 PolarHBondContact O-N 2.92Å; R463-S465 VanDerWaalsContact C-N 3.32Å; R463-S465 PolarHBondContact O-N 3.47Å; R463-S466 WeakPolarHBondContact CA-OG 3.42Å; R463-S466 CarbonylContact O-C 3.53Å; R463-S466 PolarHBondContact O-N 2.87Å; R463-S466 VanDerWaalsContact O-N 3.07Å; R463-S466 PolarHBondContact O-OG 2.86Å; R463-Y467 PolarHBondContact O-N 2.73Å |
| 464 | R | 85.1 | Confident | 88.3 | Confident | 60 Ų | 60 | 33.6 Ų | 33.6 | 23% | 0.226 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.4 | -39.7 | -179.4 | -174.3 | 174.5 | 67.2 | -163.3 | 7.6 | 113.2 | Q461 S466 Y467 F468 Q481 E483 | Q461-R464 WeakPolarHBondContact O-CB 3.36Å; Q461-R464 PolarHBondContact O-N 3.43Å; Q461-R464 VanDerWaalsContact O-N 3.09Å; R464-S466 VanDerWaalsContact C-N 3.34Å; R464-S466 PolarHBondContact O-N 3.22Å; R464-Y467 WeakPolarHBondContact O-CB 3.36Å; R464-Y467 PolarHBondContact O-N 3.3Å; R464-F468 HydrophobicContact CG-CD2 4.28Å; R464-F468 HydrophobicContact CG-CE1 4.39Å; R464-F468 HydrophobicContact CG-CE2 3.77Å; R464-F468 HydrophobicContact CG-CZ 3.83Å; R464-F468 PolarHBondContact O-N 3.49Å; R464-Q481 HydrophobicContact CG-CB 4.25Å; R464-E483 WeakPolarHBondContact CD-OE1 3.31Å; R464-E483 IonicContact NE-OE1 3.84Å; R464-E483 IonicContact NH1-OE1 2.77Å; R464-E483 IonicContact NH1-OE2 3.43Å; R464-E483 PolarHBondContact NH1-OE2 2.94Å; R464-E483 VanDerWaalsContact NH1-OE2 3.15Å |
| 465 | S | 85.5 | Confident | 88.4 | Confident | 32 Ų | 32 | 35.7 Ų | 35.7 | 22% | 0.224 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.5 | -44.4 | 172.3 | 48.4 | 0 | 0 | 0 | 0 | 112 | E409 R463 Y467 F468 W469 | E409-S465 VanDerWaalsContact CG-OG 3.31Å; E409-S465 WeakPolarHBondContact CG-OG 3.37Å; E409-S465 WeakPolarHBondContact OE1-CB 3.41Å; E409-S465 WeakPolarHBondContact OE2-CB 3.25Å; E409-S465 PolarHBondContact OE2-OG 2.82Å; R463-S465 VanDerWaalsContact C-N 3.32Å; R463-S465 PolarHBondContact O-N 3.47Å; S465-Y467 VanDerWaalsContact C-N 3.32Å; S465-Y467 PolarHBondContact O-N 2.89Å; S465-F468 PolarHBondContact O-N 3.36Å; S465-W469 VanDerWaalsContact O-CB 3.31Å; S465-W469 WeakPolarHBondContact O-CB 3.42Å; S465-W469 PolarHBondContact O-N 3.01Å |
| 466 | S | 88.3 | Confident | 88.6 | Confident | 16 Ų | 16 | 36.6 Ų | 36.6 | 11% | 0.112 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67.2 | -31.4 | 175.2 | 65.3 | 0 | 0 | 0 | 0 | 113.5 | R463 R464 L470 | R463-S466 WeakPolarHBondContact CA-OG 3.42Å; R463-S466 CarbonylContact O-C 3.53Å; R463-S466 PolarHBondContact O-N 2.87Å; R463-S466 VanDerWaalsContact O-N 3.07Å; R463-S466 PolarHBondContact O-OG 2.86Å; R464-S466 VanDerWaalsContact C-N 3.34Å; R464-S466 PolarHBondContact O-N 3.22Å; S466-L470 WeakPolarHBondContact O-CB 3.44Å; S466-L470 PolarHBondContact O-N 3.17Å |
| 467 | Y | 93 | Very high | 89 | Confident | 16 Ų | 16 | 36.4 Ų | 36.4 | 6% | 0.063 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.4 | -52 | 173.8 | -171.8 | -76.1 | 0 | 0 | 0 | 110.5 | C443 D446 R463 R464 S465 W469 L470 C471 P479 Q481 | C443-Y467 VanDerWaalsContact CA-CE2 3.4Å; C443-Y467 HydrophobicContact CB-CD2 3.58Å; C443-Y467 HydrophobicContact CB-CE2 3.69Å; C443-Y467 HydrophobicContact CB-CG 4.13Å; C443-Y467 PolarHBondContact SG-O 3.38Å; D446-Y467 WeakPolarHBondContact CB-OH 3.39Å; D446-Y467 VanDerWaalsContact CG-OH 3.29Å; D446-Y467 PolarHBondContact OD2-OH 2.88Å; R463-Y467 PolarHBondContact O-N 2.73Å; R464-Y467 WeakPolarHBondContact O-CB 3.36Å; R464-Y467 PolarHBondContact O-N 3.3Å; S465-Y467 VanDerWaalsContact C-N 3.32Å; S465-Y467 PolarHBondContact O-N 2.89Å; Y467-W469 PolarHBondContact O-N 2.99Å; Y467-L470 PolarHBondContact O-N 2.9Å; Y467-C471 PolarHBondContact O-N 3.5Å; Y467-P479 HydrophobicContact CE1-CB 4.12Å; Y467-P479 HydrophobicContact CE1-CG 4.4Å; Y467-P479 WeakPolarHBondContact OH-CB 3.46Å; Y467-Q481 HydrophobicContact CD1-CB 4.49Å |
| 468 | F | 94.9 | Very high | 89.5 | Confident | 9 Ų | 9 | 35 Ų | 35 | 4% | 0.039 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.7 | -40.6 | 176.8 | -63.5 | -24.7 | 0 | 0 | 0 | 111.9 | G242 Y243 R464 S465 L470 C471 N472 | G242-F468 VanDerWaalsContact O-CD2 3.28Å; G242-F468 WeakPolarHBondContact O-CD2 3.48Å; G242-F468 WeakPolarHBondContact O-CE2 3.28Å; Y243-F468 HydrophobicContact CD2-CE1 4.32Å; Y243-F468 HydrophobicContact CD2-CZ 4.4Å; R464-F468 HydrophobicContact CG-CD2 4.28Å; R464-F468 HydrophobicContact CG-CE1 4.39Å; R464-F468 HydrophobicContact CG-CE2 3.77Å; R464-F468 HydrophobicContact CG-CZ 3.83Å; R464-F468 PolarHBondContact O-N 3.49Å; S465-F468 PolarHBondContact O-N 3.36Å; F468-L470 VanDerWaalsContact C-N 3.28Å; F468-L470 PolarHBondContact O-N 2.96Å; F468-C471 PolarHBondContact O-N 3.34Å; F468-N472 WeakPolarHBondContact O-CB 3.42Å; F468-N472 PolarHBondContact O-N 3Å; F468-N472 PolarHBondContact O-ND2 3.16Å |
| 469 | W | 96.6 | Very high | 90.3 | Very high | 64 Ų | 64 | 31.3 Ų | 31.3 | 24% | 0.242 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -54.4 | -45.6 | 176.3 | 176.4 | 89.4 | 0 | 0 | 0 | 111.6 | L354 M404 L406 S465 Y467 N472 A473 | L354-W469 HydrophobicContact CB-CH2 4.24Å; L354-W469 HydrophobicContact CB-CZ2 4.15Å; L354-W469 HydrophobicContact CD2-CZ2 4.37Å; M404-W469 HydrophobicContact CB-CH2 3.89Å; M404-W469 HydrophobicContact CB-CZ3 3.87Å; M404-W469 HydrophobicContact CG-CH2 4.35Å; M404-W469 HydrophobicContact CG-CZ3 4Å; M404-W469 HydrophobicContact SD-CE3 4.41Å; M404-W469 HydrophobicContact SD-CZ3 3.7Å; L406-W469 HydrophobicContact CB-CD2 4.47Å; L406-W469 HydrophobicContact CB-CZ2 4.15Å; L406-W469 HydrophobicContact CD1-CB 4.44Å; L406-W469 HydrophobicContact CD1-CD2 3.79Å; L406-W469 HydrophobicContact CD1-CE3 4.01Å; L406-W469 HydrophobicContact CD1-CG 3.96Å; L406-W469 HydrophobicContact CD2-CD2 4.32Å; L406-W469 HydrophobicContact CD2-CE3 4.03Å; L406-W469 HydrophobicContact CD2-CH2 3.91Å; L406-W469 HydrophobicContact CD2-CZ2 4.15Å; L406-W469 HydrophobicContact CD2-CZ3 3.83Å; L406-W469 HydrophobicContact CG-CD2 4.43Å; S465-W469 VanDerWaalsContact O-CB 3.31Å; S465-W469 WeakPolarHBondContact O-CB 3.42Å; S465-W469 PolarHBondContact O-N 3.01Å; Y467-W469 PolarHBondContact O-N 2.99Å; W469-N472 PolarHBondContact O-N 3.49Å; W469-A473 HydrophobicContact CD2-CB 4.43Å; W469-A473 HydrophobicContact CH2-CB 4.42Å; W469-A473 HydrophobicContact CZ2-CB 4.34Å; W469-A473 WeakPolarHBondContact O-CB 3.49Å; W469-A473 PolarHBondContact O-N 3.14Å |
| 470 | L | 96.9 | Very high | 91.2 | Very high | 4 Ų | 4 | 27.8 Ų | 27.8 | 2% | 0.021 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -66 | -45.3 | -174.3 | -177.6 | 56 | 0 | 0 | 0 | 112.7 | L349 M404 Y440 C443 L444 S466 Y467 F468 L474 | L349-L470 HydrophobicContact CD1-CD1 3.75Å; M404-L470 HydrophobicContact SD-CD1 4.02Å; M404-L470 HydrophobicContact SD-CD2 4.38Å; Y440-L470 HydrophobicContact CD2-CD1 4.08Å; Y440-L470 HydrophobicContact CD2-CD2 3.81Å; Y440-L470 HydrophobicContact CE2-CD1 3.87Å; Y440-L470 HydrophobicContact CE2-CD2 4.28Å; Y440-L470 HydrophobicContact CG-CD2 4.4Å; C443-L470 HydrophobicContact CB-CD2 4.04Å; L444-L470 HydrophobicContact CD1-CD1 4.45Å; L444-L470 HydrophobicContact CD1-CD2 4.09Å; L444-L470 HydrophobicContact CD1-CG 4.33Å; L444-L470 HydrophobicContact CD2-CD2 4.21Å; L444-L470 HydrophobicContact CD2-CG 3.91Å; L444-L470 HydrophobicContact CG-CD2 3.83Å; L444-L470 HydrophobicContact CG-CG 4.08Å; S466-L470 WeakPolarHBondContact O-CB 3.44Å; S466-L470 PolarHBondContact O-N 3.17Å; Y467-L470 PolarHBondContact O-N 2.9Å; F468-L470 VanDerWaalsContact C-N 3.28Å; F468-L470 PolarHBondContact O-N 2.96Å; L470-L474 HydrophobicContact CD1-CD1 4.32Å; L470-L474 PolarHBondContact O-N 2.93Å |
| 471 | C | 97.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -64.2 | -43.2 | 175.2 | -67.9 | 0 | 0 | 0 | 0 | 112 | Y467 F468 L474 D475 I476 C478 | Y467-C471 PolarHBondContact O-N 3.5Å; F468-C471 PolarHBondContact O-N 3.34Å; C471-L474 PolarHBondContact O-N 3.41Å; C471-D475 PolarHBondContact O-N 3.08Å; C471-D475 VanDerWaalsContact O-N 3.13Å; C471-I476 HydrophobicContact CB-CG1 4.12Å; C471-I476 WeakPolarHBondContact O-CG1 3.45Å; C471-I476 PolarHBondContact O-N 3.34Å; C471-C478 HydrophobicContact CB-CB 3.68Å |
| 472 | N | 97.4 | Very high | 92.8 | Very high | 30 Ų | 30 | 24.8 Ų | 24.8 | 16% | 0.16 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -68.9 | -36.7 | -179.4 | -66.5 | -33.4 | 0 | 0 | 0 | 112 | V244 T246 F468 W469 L474 D475 | V244-N472 WeakPolarHBondContact CB-ND2 3.37Å; T246-N472 HydrophobicContact CG2-CB 4.21Å; F468-N472 WeakPolarHBondContact O-CB 3.42Å; F468-N472 PolarHBondContact O-N 3Å; F468-N472 PolarHBondContact O-ND2 3.16Å; W469-N472 PolarHBondContact O-N 3.49Å; N472-L474 PolarHBondContact O-N 3.49Å; N472-D475 PolarHBondContact O-N 3.36Å; N472-D475 VanDerWaalsContact O-N 3.14Å |
| 473 | A | 97.4 | Very high | 93.8 | Very high | 12 Ų | 12 | 23.5 Ų | 23.5 | 10% | 0.099 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59.4 | -29.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L349 R352 L354 W469 | L349-A473 HydrophobicContact CD2-CB 3.84Å; R352-A473 VanDerWaalsContact CD-O 3.22Å; R352-A473 WeakPolarHBondContact CD-O 3.36Å; R352-A473 PolarHBondContact NH1-O 3.08Å; L354-A473 HydrophobicContact CD1-CB 3.62Å; W469-A473 HydrophobicContact CD2-CB 4.43Å; W469-A473 HydrophobicContact CH2-CB 4.42Å; W469-A473 HydrophobicContact CZ2-CB 4.34Å; W469-A473 WeakPolarHBondContact O-CB 3.49Å; W469-A473 PolarHBondContact O-N 3.14Å |
| 474 | L | 97.8 | Very high | 94.1 | Very high | 8 Ų | 8 | 20.2 Ų | 20.2 | 4% | 0.042 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -99 | -4.6 | 179.5 | -74.3 | 164.4 | 0 | 0 | 0 | 113.7 | W345 E348 L349 L444 L470 C471 N472 I476 | W345-L474 HydrophobicContact CB-CD1 3.81Å; W345-L474 HydrophobicContact CB-CD2 4.1Å; W345-L474 HydrophobicContact CD2-CD1 4.36Å; W345-L474 HydrophobicContact CG-CD1 3.98Å; W345-L474 HydrophobicContact CG-CD2 4.26Å; E348-L474 HydrophobicContact CB-CD2 3.93Å; E348-L474 HydrophobicContact CG-CD2 3.82Å; L349-L474 HydrophobicContact CD2-CD1 4.46Å; L349-L474 HydrophobicContact CD2-CD2 4.07Å; L349-L474 HydrophobicContact CD2-CG 3.91Å; L349-L474 HydrophobicContact CG-CD1 4.38Å; L349-L474 HydrophobicContact CG-CD2 3.96Å; L349-L474 HydrophobicContact CG-CG 4.15Å; L444-L474 HydrophobicContact CD1-CD1 4.23Å; L444-L474 HydrophobicContact CD2-CD1 3.72Å; L470-L474 HydrophobicContact CD1-CD1 4.32Å; L470-L474 PolarHBondContact O-N 2.93Å; C471-L474 PolarHBondContact O-N 3.41Å; N472-L474 PolarHBondContact O-N 3.49Å; L474-I476 VanDerWaalsContact C-N 3.29Å; L474-I476 HydrophobicContact CB-CD1 4.26Å; L474-I476 HydrophobicContact CB-CG1 4.12Å; L474-I476 HydrophobicContact CB-CG2 4.06Å; L474-I476 HydrophobicContact CD1-CD1 4.34Å; L474-I476 PolarHBondContact O-N 2.93Å |
| 475 | D | 97.4 | Very high | 94 | Very high | 45 Ų | 45 | 17.4 Ų | 17.4 | 24% | 0.241 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | 43.3 | -172.9 | -66 | -64.4 | 0 | 0 | 0 | 113.9 | R352 C471 N472 | R352-D475 IonicContact CZ-OD2 2.81Å; R352-D475 IonicContact NH1-OD2 2.92Å; R352-D475 PolarHBondContact NH1-OD2 2.87Å; R352-D475 IonicContact NH2-OD2 2.77Å; C471-D475 PolarHBondContact O-N 3.08Å; C471-D475 VanDerWaalsContact O-N 3.13Å; N472-D475 PolarHBondContact O-N 3.36Å; N472-D475 VanDerWaalsContact O-N 3.14Å |
| 476 | I | 98.3 | Very high | 94 | Very high | 22 Ų | 22 | 19.9 Ų | 19.9 | 11% | 0.113 | 9% | 0.091 | C | C | . | . | trans | -107.9 | 169.2 | 177.4 | 62.2 | 175.7 | 0 | 0 | 0 | 111.3 | L252 W345 L444 S447 C471 L474 C478 | L252-I476 WeakPolarHBondContact CD1-O 3.33Å; W345-I476 HydrophobicContact CE3-CD1 4.44Å; W345-I476 HydrophobicContact CH2-CD1 3.81Å; W345-I476 HydrophobicContact CZ2-CD1 3.97Å; W345-I476 HydrophobicContact CZ2-CG2 3.81Å; W345-I476 HydrophobicContact CZ3-CD1 4.07Å; L444-I476 HydrophobicContact CD2-CD1 3.42Å; L444-I476 VanDerWaalsContact CD2-CD1 3.42Å; S447-I476 WeakPolarHBondContact OG-CD1 3.3Å; C471-I476 HydrophobicContact CB-CG1 4.12Å; C471-I476 WeakPolarHBondContact O-CG1 3.45Å; C471-I476 PolarHBondContact O-N 3.34Å; L474-I476 VanDerWaalsContact C-N 3.29Å; L474-I476 HydrophobicContact CB-CD1 4.26Å; L474-I476 HydrophobicContact CB-CG1 4.12Å; L474-I476 HydrophobicContact CB-CG2 4.06Å; L474-I476 HydrophobicContact CD1-CD1 4.34Å; L474-I476 PolarHBondContact O-N 2.93Å; I476-C478 PolarHBondContact O-N 3.05Å | ||
| 477 | Y | 98.4 | Very high | 93.9 | Very high | 8 Ų | 8 | 19.2 Ų | 19.2 | 3% | 0.031 | 9% | 0.086 | C | C | . | . | trans | -54.2 | 132 | 174.5 | 169.7 | -109.9 | 0 | 0 | 0 | 110.4 | N237 L253 H256 S447 H450 I451 P479 | N237-Y477 PolarHBondContact ND2-OH 2.9Å; L253-Y477 HydrophobicContact CD2-CD2 4.36Å; L253-Y477 HydrophobicContact CD2-CE2 3.92Å; H256-Y477 HydrophobicContact CB-CD2 3.72Å; H256-Y477 HydrophobicContact CB-CE2 3.81Å; H256-Y477 HydrophobicContact CB-CG 4.33Å; H256-Y477 AromaticContact CD2-CE2 3.68Å; H256-Y477 AromaticContact CD2-CZ 3.96Å; H256-Y477 AromaticContact CE1-CE1 3.95Å; H256-Y477 AromaticContact CE1-CE2 3.93Å; H256-Y477 AromaticContact CE1-CZ 3.43Å; H256-Y477 VanDerWaalsContact CE1-CZ 3.43Å; H256-Y477 PolarHBondContact CE1-OH 3.02Å; H256-Y477 AromaticContact CG-CD2 3.84Å; H256-Y477 AromaticContact CG-CE2 3.42Å; H256-Y477 VanDerWaalsContact CG-CE2 3.42Å; H256-Y477 AromaticContact CG-CZ 3.74Å; H256-Y477 AromaticContact ND1-CE1 3.76Å; H256-Y477 AromaticContact ND1-CE2 3.63Å; H256-Y477 AromaticContact ND1-CZ 3.43Å; H256-Y477 AromaticContact NE2-CE2 3.98Å; H256-Y477 AromaticContact NE2-CZ 3.77Å; H256-Y477 PolarHBondContact NE2-OH 2.88Å; S447-Y477 VanDerWaalsContact CB-O 3.27Å; S447-Y477 WeakPolarHBondContact CB-O 3.45Å; S447-Y477 PolarHBondContact OG-O 3.46Å; H450-Y477 AromaticContact ND1-CD1 3.73Å; H450-Y477 AromaticContact ND1-CG 3.95Å; I451-Y477 WeakPolarHBondContact O-CE1 3.13Å; I451-Y477 PolarHBondContact O-OH 2.79Å; I451-Y477 VanDerWaalsContact O-OH 3.08Å; Y477-P479 HydrophobicContact CD1-CG 4.25Å; Y477-P479 HydrophobicContact CE1-CB 4.43Å; Y477-P479 HydrophobicContact CE1-CG 3.9Å; Y477-P479 WeakPolarHBondContact O-CD 3.27Å | ||
| 478 | C | 98.2 | Very high | 93.7 | Very high | 3 Ų | 3 | 20.6 Ų | 20.6 | 2% | 0.02 | 9% | 0.094 | C | C | . | . | trans | -110.8 | 106.8 | -177.6 | -171.3 | 0 | 0 | 0 | 0 | 109.8 | N237 Y243 C471 I476 | N237-C478 PolarHBondContact ND2-O 3.16Å; Y243-C478 HydrophobicContact CE2-CB 4.06Å; Y243-C478 WeakPolarHBondContact CE2-O 3.5Å; Y243-C478 WeakPolarHBondContact OH-CB 3.18Å; Y243-C478 PolarHBondContact OH-O 3.47Å; C471-C478 HydrophobicContact CB-CB 3.68Å; I476-C478 PolarHBondContact O-N 3.05Å | ||
| 479 | P | 97.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 10% | 0.095 | C | C | . | . | P | Polyproline II helix | trans | -61.5 | 157.8 | 172.7 | -24.2 | 35.1 | 0 | 0 | 0 | 112.1 | D446 I451 Y467 Y477 | D446-P479 HydrophobicContact CB-CB 4.22Å; D446-P479 HydrophobicContact CB-CG 3.63Å; I451-P479 VanDerWaalsContact O-CB 3.24Å; I451-P479 WeakPolarHBondContact O-CB 3.44Å; Y467-P479 HydrophobicContact CE1-CB 4.12Å; Y467-P479 HydrophobicContact CE1-CG 4.4Å; Y467-P479 WeakPolarHBondContact OH-CB 3.46Å; Y477-P479 HydrophobicContact CD1-CG 4.25Å; Y477-P479 HydrophobicContact CE1-CB 4.43Å; Y477-P479 HydrophobicContact CE1-CG 3.9Å; Y477-P479 WeakPolarHBondContact O-CD 3.27Å |
| 480 | V | 96.3 | Very high | 93.5 | Very high | 3 Ų | 3 | 19.2 Ų | 19.2 | 2% | 0.018 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 122.7 | 169.8 | -172.8 | 0 | 0 | 0 | 0 | 109.9 | H232 N237 T240 Y243 S454 W482 | H232-V480 WeakPolarHBondContact NE2-CG2 3.12Å; N237-V480 HydrophobicContact CB-CG2 3.6Å; T240-V480 HydrophobicContact CG2-CG1 3.96Å; T240-V480 HydrophobicContact CG2-CG2 4.06Å; Y243-V480 HydrophobicContact CD2-CG2 4.18Å; Y243-V480 HydrophobicContact CE2-CG2 4.21Å; S454-V480 PolarHBondContact N-O 3.35Å; V480-W482 HydrophobicContact CG1-CZ2 4.35Å; V480-W482 VanDerWaalsContact CG1-NE1 3.29Å |
| 481 | Q | 93.7 | Very high | 93.3 | Very high | 12 Ų | 12 | 19.9 Ų | 19.9 | 6% | 0.056 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 131.1 | 172 | -174.6 | 176.6 | 32.5 | 0 | 0 | 110.7 | S454 C456 R464 Y467 | S454-Q481 WeakPolarHBondContact O-CA 3.38Å; C456-Q481 PolarHBondContact SG-NE2 3.05Å; R464-Q481 HydrophobicContact CG-CB 4.25Å; Y467-Q481 HydrophobicContact CD1-CB 4.49Å |
| 482 | W | 90.6 | Very high | 93.1 | Very high | 50 Ų | 50 | 20.5 Ų | 20.5 | 19% | 0.189 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 135.6 | 173 | -70.3 | 99.3 | 0 | 0 | 0 | 110.5 | F231 H232 T240 P241 S454 L455 C456 V480 | F231-W482 AromaticContact CD1-CD2 3.99Å; F231-W482 HydrophobicContact CD1-CD2 3.99Å; F231-W482 AromaticContact CD1-CE2 3.88Å; F231-W482 HydrophobicContact CD1-CE3 4.41Å; F231-W482 HydrophobicContact CD1-CG 4.35Å; F231-W482 HydrophobicContact CD1-CZ2 4.2Å; F231-W482 HydrophobicContact CE1-CB 4.35Å; F231-W482 AromaticContact CE1-CD2 3.65Å; F231-W482 HydrophobicContact CE1-CD2 3.65Å; F231-W482 AromaticContact CE1-CE3 3.89Å; F231-W482 HydrophobicContact CE1-CE3 3.89Å; F231-W482 AromaticContact CE1-CG 3.87Å; F231-W482 HydrophobicContact CE1-CG 3.87Å; F231-W482 HydrophobicContact CE1-CZ3 4.45Å; F231-W482 HydrophobicContact CZ-CB 4.17Å; F231-W482 HydrophobicContact CZ-CD2 4.34Å; F231-W482 HydrophobicContact CZ-CG 4.08Å; H232-W482 AromaticContact ND1-NE1 3.91Å; T240-W482 HydrophobicContact CG2-CZ2 4Å; P241-W482 HydrophobicContact CG-CH2 4.16Å; S454-W482 PolarHBondContact O-N 2.85Å; L455-W482 WeakPolarHBondContact CA-O 3.38Å; L455-W482 HydrophobicContact CD2-CB 3.84Å; L455-W482 HydrophobicContact CD2-CG 4.46Å; C456-W482 PolarHBondContact N-O 2.75Å; V480-W482 HydrophobicContact CG1-CZ2 4.35Å; V480-W482 VanDerWaalsContact CG1-NE1 3.29Å |
| 483 | E | 88.6 | Confident | 92.9 | Very high | 21 Ų | 21 | 19.3 Ų | 19.3 | 10% | 0.098 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 138.1 | -179 | -53 | 85.1 | 175.5 | 0 | 0 | 112.6 | C456 Q461 R464 | C456-E483 CarbonylContact O-C 3.57Å; C456-E483 VanDerWaalsContact O-CA 3.24Å; C456-E483 WeakPolarHBondContact O-CA 3.06Å; Q461-E483 HydrophobicContact CB-CG 4Å; Q461-E483 HydrophobicContact CG-CG 4.36Å; R464-E483 WeakPolarHBondContact CD-OE1 3.31Å; R464-E483 IonicContact NE-OE1 3.84Å; R464-E483 IonicContact NH1-OE1 2.77Å; R464-E483 IonicContact NH1-OE2 3.43Å; R464-E483 PolarHBondContact NH1-OE2 2.94Å; R464-E483 VanDerWaalsContact NH1-OE2 3.15Å |
| 484 | Y | 86.7 | Confident | 92.4 | Very high | 10 Ų | 10 | 19.8 Ų | 19.8 | 4% | 0.039 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 155.9 | 170.2 | 63.2 | -88.6 | 0 | 0 | 0 | 111.6 | K282 A283 F286 L455 C456 T457 K458 R486 | K282-Y484 HydrophobicContact CD-CD2 4.24Å; K282-Y484 HydrophobicContact CD-CE2 4.4Å; K282-Y484 HydrophobicContact CG-CD2 4.44Å; K282-Y484 HydrophobicContact CG-CE2 4.26Å; A283-Y484 VanDerWaalsContact CA-OH 3.27Å; A283-Y484 WeakPolarHBondContact CA-OH 3.42Å; A283-Y484 WeakPolarHBondContact CB-OH 3.36Å; F286-Y484 AromaticContact CD1-CD1 3.42Å; F286-Y484 HydrophobicContact CD1-CD1 3.42Å; F286-Y484 VanDerWaalsContact CD1-CD1 3.42Å; F286-Y484 AromaticContact CD1-CE1 3.7Å; F286-Y484 HydrophobicContact CD1-CE1 3.7Å; F286-Y484 AromaticContact CD1-CG 3.99Å; F286-Y484 HydrophobicContact CD1-CG 3.99Å; F286-Y484 AromaticContact CE1-CD1 3.62Å; F286-Y484 HydrophobicContact CE1-CD1 3.62Å; F286-Y484 HydrophobicContact CE1-CE1 4.3Å; F286-Y484 HydrophobicContact CE1-CG 4.13Å; L455-Y484 HydrophobicContact CB-CD1 4.47Å; L455-Y484 HydrophobicContact CB-CE1 4.22Å; C456-Y484 WeakPolarHBondContact O-CD1 3.41Å; C456-Y484 VanDerWaalsContact O-CE1 3.27Å; C456-Y484 WeakPolarHBondContact O-CE1 3.24Å; C456-Y484 PolarHBondContact O-N 3Å; T457-Y484 CarbonylContact C-O 3.6Å; T457-Y484 VanDerWaalsContact CA-O 3.27Å; T457-Y484 WeakPolarHBondContact CA-O 3.28Å; T457-Y484 HydrophobicContact CG2-CE2 3.85Å; K458-Y484 PolarHBondContact N-O 3.39Å; Y484-R486 PolarHBondContact O-N 3.22Å |
| 485 | G | 83.6 | Confident | 92 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.109 | C | C | . | . | P | Polyproline II helix | trans | -68.4 | 130.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | K282 T542 V543 A544 | K282-G485 PolarHBondContact NZ-O 2.87Å; G485-T542 PolarHBondContact N-O 2.81Å; G485-V543 WeakPolarHBondContact CA-O 3.34Å; G485-A544 WeakPolarHBondContact CA-O 2.96Å |
| 486 | R | 83.6 | Confident | 91.5 | Very high | 84 Ų | 84 | 22.5 Ų | 22.5 | 32% | 0.317 | 11% | 0.11 | S | C | . | . | P | Polyproline II helix | trans | -59.6 | 140.7 | 172.6 | -176.4 | 176.6 | 175.4 | 158.3 | 8.2 | 110.4 | Y484 N488 Q545 T546 | Y484-R486 PolarHBondContact O-N 3.22Å; R486-N488 PolarHBondContact NE-OD1 3.49Å; R486-Q545 HydrophobicContact CB-CG 4.37Å; R486-T546 PolarHBondContact O-N 3.26Å; R486-T546 VanDerWaalsContact O-N 3.08Å |
| 487 | L | 87.6 | Confident | 91.1 | Very high | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.01 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 121 | 171.7 | 172.3 | 64.9 | 0 | 0 | 0 | 109.2 | I278 G279 K282 F535 V539 M548 | I278-L487 HydrophobicContact CG1-CD2 4.49Å; G279-L487 VanDerWaalsContact CA-O 3.26Å; G279-L487 WeakPolarHBondContact CA-O 3.41Å; K282-L487 HydrophobicContact CB-CB 4.34Å; K282-L487 HydrophobicContact CB-CD2 4.21Å; K282-L487 HydrophobicContact CD-CB 3.87Å; L487-F535 HydrophobicContact CD1-CE1 4.36Å; L487-F535 HydrophobicContact CD1-CZ 4.46Å; L487-F535 HydrophobicContact CD2-CE1 3.9Å; L487-V539 HydrophobicContact CD1-CG1 4.35Å; L487-V539 HydrophobicContact CD1-CG2 4.41Å; L487-M548 HydrophobicContact CD1-CG 4.47Å; L487-M548 HydrophobicContact CD1-SD 4.39Å |
| 488 | N | 88.7 | Confident | 90.9 | Very high | 46 Ų | 46 | 33.2 Ų | 33.2 | 25% | 0.246 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 158.6 | 170.5 | -69.3 | -34.4 | 0 | 0 | 0 | 109.6 | R486 T546 T547 M548 | R486-N488 PolarHBondContact NE-OD1 3.49Å; N488-T546 PolarHBondContact N-O 3.16Å; N488-T546 VanDerWaalsContact N-O 3.11Å; N488-T547 HydrophobicContact CB-CG2 4.35Å; N488-T547 WeakPolarHBondContact O-CA 3.49Å; N488-M548 PolarHBondContact O-N 3.16Å |
| 489 | L | 92.6 | Very high | 90.7 | Very high | 9 Ų | 9 | 33.1 Ų | 33.1 | 5% | 0.047 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 144.8 | 172.1 | -65.4 | -177.4 | 0 | 0 | 0 | 109.8 | I278 A492 F517 F535 M548 L553 | I278-L489 HydrophobicContact CB-CD1 4.41Å; I278-L489 HydrophobicContact CG1-CD1 4.14Å; I278-L489 HydrophobicContact CG2-CD1 3.83Å; I278-L489 HydrophobicContact CG2-CG 3.91Å; L489-A492 HydrophobicContact CB-CB 4.26Å; L489-A492 WeakPolarHBondContact O-CB 3.49Å; L489-F517 HydrophobicContact CD1-CD1 3.49Å; L489-F517 VanDerWaalsContact CD1-CD1 3.49Å; L489-F517 HydrophobicContact CD1-CE1 3.62Å; L489-F517 HydrophobicContact CD1-CG 4.34Å; L489-F535 HydrophobicContact CD2-CE1 4.46Å; L489-F535 HydrophobicContact CD2-CZ 4.15Å; L489-M548 CarbonylContact C-O 3.44Å; L489-M548 VanDerWaalsContact CA-O 3.29Å; L489-M548 WeakPolarHBondContact CA-O 3.43Å; L489-M548 HydrophobicContact CD2-CB 3.78Å; L489-M548 WeakPolarHBondContact CD2-O 3.36Å; L489-L553 HydrophobicContact CD1-CD2 4.1Å |
| 490 | H | 94.1 | Very high | 90.5 | Very high | 35 Ų | 35 | 36.3 Ų | 36.3 | 16% | 0.162 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | 158.9 | 165.7 | -68 | -60.8 | 0 | 0 | 0 | 110.4 | A492 T547 M548 E549 P550 K699 N700 | H490-A492 PolarHBondContact O-N 3.14Å; H490-A492 VanDerWaalsContact O-N 3.16Å; H490-T547 WeakPolarHBondContact CE1-CG2 3.24Å; H490-M548 PolarHBondContact N-O 3.13Å; H490-E549 IonicContact CD2-OE1 3.12Å; H490-P550 VanDerWaalsContact O-CG 3.31Å; H490-P550 WeakPolarHBondContact O-CG 3.26Å; H490-K699 WeakPolarHBondContact CA-O 3.35Å; H490-K699 HydrophobicContact CB-CB 4.3Å; H490-N700 PolarHBondContact ND1-OD1 3.19Å |
| 491 | Y | 93.9 | Very high | 90.4 | Very high | 18 Ų | 18 | 39.7 Ų | 39.7 | 7% | 0.071 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.1 | 21.1 | -178.1 | -48.4 | -86 | 0 | 0 | 0 | 114.1 | E549 P550 R694 F696 H698 K699 | Y491-E549 WeakPolarHBondContact CE2-OE2 3.19Å; Y491-P550 HydrophobicContact CD2-CG 4.14Å; Y491-R694 PolarHBondContact OH-NH1 3.1Å; Y491-R694 VanDerWaalsContact OH-NH1 3.16Å; Y491-F696 WeakPolarHBondContact O-CD2 3.41Å; Y491-H698 WeakPolarHBondContact CD1-O 3.27Å; Y491-H698 VanDerWaalsContact CE1-C 3.45Å; Y491-H698 WeakPolarHBondContact CE1-O 3.2Å; Y491-K699 HydrophobicContact CE1-CG 4.03Å; Y491-K699 HydrophobicContact CE2-CG 3.85Å; Y491-K699 VanDerWaalsContact CZ-CG 3.45Å; Y491-K699 PolarHBondContact N-O 3.32Å; Y491-K699 VanDerWaalsContact OH-CG 3.27Å; Y491-K699 WeakPolarHBondContact OH-CG 3.49Å |
| 492 | A | 92.9 | Very high | 90.4 | Very high | 12 Ų | 12 | 39.1 Ų | 39.1 | 10% | 0.099 | 18% | 0.179 | C | C | . | . | trans | -124.1 | 138.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | L489 H490 V494 F517 | L489-A492 HydrophobicContact CB-CB 4.26Å; L489-A492 WeakPolarHBondContact O-CB 3.49Å; H490-A492 PolarHBondContact O-N 3.14Å; H490-A492 VanDerWaalsContact O-N 3.16Å; A492-V494 HydrophobicContact CB-CG1 4.4Å; A492-F517 HydrophobicContact CB-CB 4.09Å; A492-F517 HydrophobicContact CB-CD2 3.5Å; A492-F517 HydrophobicContact CB-CE2 4.16Å; A492-F517 HydrophobicContact CB-CG 3.95Å | ||
| 493 | V | 92.1 | Very high | 90.6 | Very high | 5 Ų | 5 | 38.5 Ų | 38.5 | 3% | 0.03 | 18% | 0.181 | C | C | . | . | trans | -119.8 | 120.5 | 168.5 | 176.3 | 0 | 0 | 0 | 0 | 107.4 | K498 F696 P701 E702 F711 | V493-K498 HydrophobicContact CG1-CB 3.48Å; V493-K498 VanDerWaalsContact CG1-CB 3.48Å; V493-K498 HydrophobicContact CG1-CD 3.61Å; V493-K498 HydrophobicContact CG1-CG 4.17Å; V493-F696 HydrophobicContact CB-CE2 4.06Å; V493-F696 HydrophobicContact CB-CZ 4.08Å; V493-F696 HydrophobicContact CG2-CD2 4.41Å; V493-F696 HydrophobicContact CG2-CE1 4.21Å; V493-F696 HydrophobicContact CG2-CE2 3.62Å; V493-F696 HydrophobicContact CG2-CZ 3.5Å; V493-F696 VanDerWaalsContact CG2-CZ 3.5Å; V493-P701 HydrophobicContact CG2-CB 4.33Å; V493-P701 HydrophobicContact CG2-CG 3.72Å; V493-E702 HydrophobicContact CG2-CG 3.87Å; V493-F711 HydrophobicContact CG2-CD2 4.38Å | ||
| 494 | V | 87.7 | Confident | 90.9 | Very high | 23 Ų | 23 | 41.8 Ų | 41.8 | 14% | 0.139 | 21% | 0.211 | C | C | . | . | trans | -118.7 | -1.2 | -168.8 | -60.4 | 0 | 0 | 0 | 0 | 114.7 | H277 A492 K496 | H277-V494 HydrophobicContact CB-CB 4Å; H277-V494 HydrophobicContact CB-CG1 3.95Å; H277-V494 VanDerWaalsContact CD2-CB 3.48Å; H277-V494 WeakPolarHBondContact CD2-CB 3.26Å; A492-V494 HydrophobicContact CB-CG1 4.4Å; V494-K496 PolarHBondContact O-N 2.78Å | ||
| 495 | S | 89 | Confident | 91.2 | Very high | 53 Ų | 53 | 45.2 Ų | 45.2 | 37% | 0.371 | 23% | 0.233 | S | C | . | . | trans | -68.6 | 128.6 | 175.4 | 174.6 | 0 | 0 | 0 | 0 | 111.1 | R497 K498 I499 | S495-R497 VanDerWaalsContact C-N 3.29Å; S495-R497 PolarHBondContact O-N 2.52Å; S495-K498 PolarHBondContact O-N 3.34Å; S495-I499 PolarHBondContact O-N 2.75Å | ||
| 496 | K | 87.9 | Confident | 91.7 | Very high | 56 Ų | 56 | 48.1 Ų | 48.1 | 24% | 0.243 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -48.9 | -48.7 | 176.1 | 177.5 | -179.8 | 176.4 | 179.8 | 0 | 112.1 | N273 I275 V494 K498 I499 L500 | N273-K496 WeakPolarHBondContact O-CD 3.25Å; N273-K496 WeakPolarHBondContact O-CE 3.13Å; N273-K496 PolarHBondContact O-NZ 2.9Å; I275-K496 HydrophobicContact CD1-CB 4.46Å; I275-K496 HydrophobicContact CD1-CG 4.03Å; I275-K496 HydrophobicContact CG1-CG 4.27Å; V494-K496 PolarHBondContact O-N 2.78Å; K496-K498 VanDerWaalsContact C-N 3.32Å; K496-K498 PolarHBondContact O-N 3.34Å; K496-I499 PolarHBondContact O-N 3.35Å; K496-L500 HydrophobicContact CG-CD1 4.04Å; K496-L500 HydrophobicContact CG-CG 4.42Å; K496-L500 WeakPolarHBondContact O-CG 3.35Å; K496-L500 PolarHBondContact O-N 2.89Å |
| 497 | R | 90.1 | Very high | 92.2 | Very high | 205 Ų | 205 | 45.2 Ų | 45.2 | 77% | 0.774 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -57.9 | -43.3 | 179.2 | 178.4 | -179.8 | 167.3 | 179.6 | -2.2 | 111.9 | S495 Q501 | S495-R497 VanDerWaalsContact C-N 3.29Å; S495-R497 PolarHBondContact O-N 2.52Å; R497-Q501 WeakPolarHBondContact O-CB 3.39Å; R497-Q501 PolarHBondContact O-N 3.5Å; R497-Q501 VanDerWaalsContact O-N 3.09Å |
| 498 | K | 93.4 | Very high | 92.5 | Very high | 51 Ų | 51 | 45.3 Ų | 45.3 | 22% | 0.222 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -73.6 | -38.2 | -178.9 | -65.6 | -173.5 | 174.8 | -176.1 | 0 | 111.9 | V493 S495 K496 Q501 L502 E702 F711 | V493-K498 HydrophobicContact CG1-CB 3.48Å; V493-K498 VanDerWaalsContact CG1-CB 3.48Å; V493-K498 HydrophobicContact CG1-CD 3.61Å; V493-K498 HydrophobicContact CG1-CG 4.17Å; S495-K498 PolarHBondContact O-N 3.34Å; K496-K498 VanDerWaalsContact C-N 3.32Å; K496-K498 PolarHBondContact O-N 3.34Å; K498-Q501 WeakPolarHBondContact O-CB 3.32Å; K498-Q501 PolarHBondContact O-N 3.45Å; K498-L502 WeakPolarHBondContact O-CG 3.35Å; K498-L502 PolarHBondContact O-N 3.4Å; K498-E702 WeakPolarHBondContact CE-OE1 3.14Å; K498-E702 IonicContact NZ-OE1 2.69Å; K498-E702 PolarHBondContact NZ-OE1 3.17Å; K498-F711 HydrophobicContact CB-CE1 4.38Å; K498-F711 HydrophobicContact CB-CE2 4.05Å; K498-F711 HydrophobicContact CB-CZ 3.77Å; K498-F711 HydrophobicContact CD-CD1 4.16Å; K498-F711 HydrophobicContact CD-CE1 3.95Å; K498-F711 HydrophobicContact CD-CZ 4.16Å; K498-F711 HydrophobicContact CG-CE1 3.94Å; K498-F711 HydrophobicContact CG-CE2 4.46Å; K498-F711 HydrophobicContact CG-CZ 3.84Å |
| 499 | I | 94.4 | Very high | 92.7 | Very high | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.4 | -48.3 | 174.3 | -69.4 | 171.1 | 0 | 0 | 0 | 110.6 | I275 S495 K496 Q501 L502 V503 W511 L516 T518 | I275-I499 HydrophobicContact CD1-CG2 4.19Å; I275-I499 HydrophobicContact CG2-CD1 4.47Å; S495-I499 PolarHBondContact O-N 2.75Å; K496-I499 PolarHBondContact O-N 3.35Å; I499-Q501 PolarHBondContact O-N 3Å; I499-L502 WeakPolarHBondContact O-CB 3.26Å; I499-L502 PolarHBondContact O-N 3.22Å; I499-V503 WeakPolarHBondContact O-CG2 3.32Å; I499-V503 PolarHBondContact O-N 3.09Å; I499-W511 HydrophobicContact CG2-CB 3.91Å; I499-L516 HydrophobicContact CG2-CD1 4.06Å; I499-T518 HydrophobicContact CD1-CG2 3.59Å |
| 500 | L | 92.2 | Very high | 92.9 | Very high | 66 Ų | 66 | 51.5 Ų | 51.5 | 35% | 0.346 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61 | -33.1 | 176.3 | -69.3 | 177.8 | 0 | 0 | 0 | 112 | K496 V503 A504 | K496-L500 HydrophobicContact CG-CD1 4.04Å; K496-L500 HydrophobicContact CG-CG 4.42Å; K496-L500 WeakPolarHBondContact O-CG 3.35Å; K496-L500 PolarHBondContact O-N 2.89Å; L500-V503 PolarHBondContact O-N 3.35Å; L500-A504 VanDerWaalsContact O-CB 3.26Å; L500-A504 WeakPolarHBondContact O-CB 3.41Å; L500-A504 PolarHBondContact O-N 3.29Å |
| 501 | Q | 94.4 | Very high | 92.8 | Very high | 74 Ų | 74 | 51 Ų | 51 | 35% | 0.346 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65.5 | -41.1 | 172.4 | -171.5 | 175.6 | 2.7 | 0 | 0 | 112.1 | R497 K498 I499 V503 A504 T505 L712 | R497-Q501 WeakPolarHBondContact O-CB 3.39Å; R497-Q501 PolarHBondContact O-N 3.5Å; R497-Q501 VanDerWaalsContact O-N 3.09Å; K498-Q501 WeakPolarHBondContact O-CB 3.32Å; K498-Q501 PolarHBondContact O-N 3.45Å; I499-Q501 PolarHBondContact O-N 3Å; Q501-V503 VanDerWaalsContact C-N 3.33Å; Q501-V503 PolarHBondContact O-N 3.05Å; Q501-A504 PolarHBondContact O-N 2.83Å; Q501-T505 WeakPolarHBondContact O-CG2 3.38Å; Q501-T505 PolarHBondContact O-N 3.38Å; Q501-T505 PolarHBondContact O-OG1 3.01Å; Q501-T505 VanDerWaalsContact O-OG1 3.13Å; Q501-L712 HydrophobicContact CG-CD1 4.17Å |
| 502 | L | 95.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.4 | -38 | 175.2 | -67.2 | 169.1 | 0 | 0 | 0 | 112.5 | K498 I499 T505 G506 A507 V508 L516 L695 F696 F711 L712 L715 | K498-L502 WeakPolarHBondContact O-CG 3.35Å; K498-L502 PolarHBondContact O-N 3.4Å; I499-L502 WeakPolarHBondContact O-CB 3.26Å; I499-L502 PolarHBondContact O-N 3.22Å; L502-T505 PolarHBondContact O-OG1 3.13Å; L502-G506 PolarHBondContact O-N 2.99Å; L502-A507 HydrophobicContact CD2-CB 4.16Å; L502-A507 PolarHBondContact O-N 3.27Å; L502-V508 HydrophobicContact CB-CG2 3.76Å; L502-V508 PolarHBondContact O-N 3.23Å; L502-L516 HydrophobicContact CD1-CD2 4.12Å; L502-L695 HydrophobicContact CD1-CD2 4.34Å; L502-F696 HydrophobicContact CD1-CZ 4.17Å; L502-F696 HydrophobicContact CD2-CZ 4.46Å; L502-F711 HydrophobicContact CD2-CD2 4.48Å; L502-F711 HydrophobicContact CD2-CE2 3.97Å; L502-F711 HydrophobicContact CG-CE2 4.08Å; L502-L712 HydrophobicContact CD2-CD2 3.61Å; L502-L715 HydrophobicContact CD2-CD1 4.32Å; L502-L715 HydrophobicContact CD2-CD2 3.79Å |
| 503 | V | 94.6 | Very high | 93.1 | Very high | 38 Ų | 38 | 51 Ų | 51 | 23% | 0.23 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -67.6 | -47.5 | 174.9 | 177.4 | 0 | 0 | 0 | 0 | 109.9 | I499 L500 Q501 T505 G506 V508 | I499-V503 WeakPolarHBondContact O-CG2 3.32Å; I499-V503 PolarHBondContact O-N 3.09Å; L500-V503 PolarHBondContact O-N 3.35Å; Q501-V503 VanDerWaalsContact C-N 3.33Å; Q501-V503 PolarHBondContact O-N 3.05Å; V503-T505 VanDerWaalsContact C-N 3.29Å; V503-T505 PolarHBondContact O-N 3.31Å; V503-G506 PolarHBondContact O-N 3.12Å; V503-V508 HydrophobicContact CB-CG2 4.49Å; V503-V508 HydrophobicContact CG2-CG2 3.74Å |
| 504 | A | 94.5 | Very high | 93.4 | Very high | 89 Ų | 89 | 50.8 Ų | 50.8 | 74% | 0.736 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -63.3 | -32.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | L500 Q501 G506 | L500-A504 VanDerWaalsContact O-CB 3.26Å; L500-A504 WeakPolarHBondContact O-CB 3.41Å; L500-A504 PolarHBondContact O-N 3.29Å; Q501-A504 PolarHBondContact O-N 2.83Å; A504-G506 VanDerWaalsContact C-N 3.28Å |
| 505 | T | 93.3 | Very high | 93.8 | Very high | 83 Ų | 83 | 50.9 Ų | 50.9 | 51% | 0.509 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -3 | 174.7 | 59.5 | 0 | 0 | 0 | 0 | 113.5 | Q501 L502 V503 A507 L712 | Q501-T505 WeakPolarHBondContact O-CG2 3.38Å; Q501-T505 PolarHBondContact O-N 3.38Å; Q501-T505 PolarHBondContact O-OG1 3.01Å; Q501-T505 VanDerWaalsContact O-OG1 3.13Å; L502-T505 PolarHBondContact O-OG1 3.13Å; V503-T505 VanDerWaalsContact C-N 3.29Å; V503-T505 PolarHBondContact O-N 3.31Å; T505-A507 PolarHBondContact O-N 3.01Å; T505-L712 HydrophobicContact CG2-CD1 4.47Å |
| 506 | G | 93.4 | Very high | 94.2 | Very high | 60 Ų | 60 | 48.6 Ų | 48.6 | 62% | 0.619 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.1 | 12.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | L502 V503 A504 V508 | L502-G506 PolarHBondContact O-N 2.99Å; V503-G506 PolarHBondContact O-N 3.12Å; A504-G506 VanDerWaalsContact C-N 3.28Å; G506-V508 VanDerWaalsContact C-N 3.27Å; G506-V508 PolarHBondContact O-N 2.96Å |
| 507 | A | 93.1 | Very high | 94.6 | Very high | 24 Ų | 24 | 46.8 Ų | 46.8 | 20% | 0.198 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -65.9 | -34.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L502 T505 R515 L715 | L502-A507 HydrophobicContact CD2-CB 4.16Å; L502-A507 PolarHBondContact O-N 3.27Å; T505-A507 PolarHBondContact O-N 3.01Å; A507-R515 PolarHBondContact O-NH1 3.01Å; A507-R515 PolarHBondContact O-NH2 3.02Å; A507-L715 HydrophobicContact CB-CD1 3.63Å; A507-L715 HydrophobicContact CB-CD2 4.31Å |
| 508 | V | 95.6 | Very high | 94.9 | Very high | 4 Ų | 4 | 37.1 Ų | 37.1 | 2% | 0.024 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -125.7 | 151.5 | 172.8 | -60.9 | 0 | 0 | 0 | 0 | 109.9 | L502 V503 G506 D513 L516 L695 | L502-V508 HydrophobicContact CB-CG2 3.76Å; L502-V508 PolarHBondContact O-N 3.23Å; V503-V508 HydrophobicContact CB-CG2 4.49Å; V503-V508 HydrophobicContact CG2-CG2 3.74Å; G506-V508 VanDerWaalsContact C-N 3.27Å; G506-V508 PolarHBondContact O-N 2.96Å; V508-D513 HydrophobicContact CB-CB 3.82Å; V508-D513 HydrophobicContact CG1-CB 4.4Å; V508-L516 HydrophobicContact CG1-CD2 4.21Å; V508-L516 HydrophobicContact CG1-CG 4.37Å; V508-L516 HydrophobicContact CG2-CD1 4.26Å; V508-L695 HydrophobicContact CG1-CD1 4.07Å; V508-L695 HydrophobicContact CG1-CD2 3.79Å |
| 509 | R | 93 | Very high | 95.1 | Very high | 120 Ų | 120 | 34.7 Ų | 34.7 | 45% | 0.453 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -67.4 | -45.7 | -175.4 | -68.4 | -175.2 | 178 | -163.6 | 0.4 | 112.1 | D513 R690 | R509-D513 PolarHBondContact N-OD2 2.93Å; R509-R690 VanDerWaalsContact NH1-NH2 3.1Å |
| 510 | D | 94.9 | Very high | 95.2 | Very high | 65 Ų | 65 | 35.8 Ų | 35.8 | 35% | 0.348 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -158.6 | -178.6 | 176.6 | -158.2 | 0.8 | 0 | 0 | 0 | 109.5 | D512 D513 | D510-D512 PolarHBondContact O-N 3.31Å; D510-D513 VanDerWaalsContact O-CB 3.25Å; D510-D513 WeakPolarHBondContact O-CB 3.4Å; D510-D513 PolarHBondContact O-N 3.21Å; D510-D513 VanDerWaalsContact O-N 3.09Å |
| 511 | W | 93.9 | Very high | 95.5 | Very high | 24 Ų | 24 | 32.7 Ų | 32.7 | 9% | 0.091 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -7.8 | 179.6 | 66.1 | -86.3 | 0 | 0 | 0 | 114.2 | I275 F314 A317 I499 T518 T520 | I275-W511 HydrophobicContact CD1-CB 4.21Å; I275-W511 HydrophobicContact CG2-CE3 4.02Å; F314-W511 HydrophobicContact CE1-CD2 4.25Å; F314-W511 HydrophobicContact CE1-CG 4.44Å; A317-W511 HydrophobicContact CB-CH2 3.58Å; A317-W511 HydrophobicContact CB-CZ2 4.36Å; A317-W511 HydrophobicContact CB-CZ3 4.38Å; I499-W511 HydrophobicContact CG2-CB 3.91Å; W511-T518 PolarHBondContact O-OG1 3.14Å; W511-T520 HydrophobicContact CH2-CG2 3.7Å; W511-T520 WeakPolarHBondContact CH2-OG1 3.46Å; W511-T520 HydrophobicContact CZ2-CG2 4.5Å; W511-T520 HydrophobicContact CZ3-CG2 3.82Å; W511-T520 WeakPolarHBondContact CZ3-OG1 3.01Å |
| 512 | D | 95.8 | Very high | 95.7 | Very high | 27 Ų | 27 | 29.1 Ų | 29.1 | 14% | 0.144 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | 8.9 | 171.6 | 75.5 | -10.8 | 0 | 0 | 0 | 113.3 | D510 T520 A521 R524 | D510-D512 PolarHBondContact O-N 3.31Å; D512-T520 HydrophobicContact CB-CG2 3.85Å; D512-A521 VanDerWaalsContact O-CA 3.32Å; D512-A521 WeakPolarHBondContact O-CA 3.41Å; D512-R524 VanDerWaalsContact CG-NH1 3.28Å; D512-R524 WeakPolarHBondContact O-CD 3.23Å; D512-R524 IonicContact OD1-NH1 3.69Å; D512-R524 PolarHBondContact OD1-NH1 3.43Å; D512-R524 WeakPolarHBondContact OD2-CD 3.43Å; D512-R524 IonicContact OD2-CZ 2.94Å; D512-R524 IonicContact OD2-NE 3.34Å; D512-R524 IonicContact OD2-NH1 2.81Å; D512-R524 PolarHBondContact OD2-NH1 2.89Å |
| 513 | D | 97.4 | Very high | 95.8 | Very high | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.011 | 19% | 0.19 | C | C | . | . | trans | -57.2 | 126.4 | 177.7 | -174.4 | -60.7 | 0 | 0 | 0 | 110.6 | V508 R509 D510 R515 L516 A521 | V508-D513 HydrophobicContact CB-CB 3.82Å; V508-D513 HydrophobicContact CG1-CB 4.4Å; R509-D513 PolarHBondContact N-OD2 2.93Å; D510-D513 VanDerWaalsContact O-CB 3.25Å; D510-D513 WeakPolarHBondContact O-CB 3.4Å; D510-D513 PolarHBondContact O-N 3.21Å; D510-D513 VanDerWaalsContact O-N 3.09Å; D513-R515 PolarHBondContact O-N 2.9Å; D513-R515 WeakPolarHBondContact OD1-CB 3.39Å; D513-R515 IonicContact OD1-CZ 3.48Å; D513-R515 PolarHBondContact OD1-N 3.36Å; D513-R515 IonicContact OD1-NE 2.7Å; D513-R515 PolarHBondContact OD1-NE 3.48Å; D513-R515 IonicContact OD1-NH2 3.99Å; D513-R515 IonicContact OD2-CZ 2.87Å; D513-R515 IonicContact OD2-NE 3.68Å; D513-R515 IonicContact OD2-NH2 3.64Å; D513-R515 PolarHBondContact OD2-NH2 3.32Å; D513-L516 HydrophobicContact CB-CD1 4.35Å; D513-L516 HydrophobicContact CB-CG 4.42Å; D513-L516 WeakPolarHBondContact O-CB 3.39Å; D513-L516 PolarHBondContact O-N 2.97Å; D513-A521 WeakPolarHBondContact O-CB 3.47Å | ||
| 514 | P | 97.6 | Very high | 96 | Very high | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.013 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -12 | -175.2 | -34.4 | 41.3 | 0 | 0 | 0 | 117.1 | R524 R525 Y692 | P514-R524 HydrophobicContact CG-CG 4.23Å; P514-R525 HydrophobicContact CB-CB 3.76Å; P514-R525 HydrophobicContact CB-CG 4.05Å; P514-R525 HydrophobicContact CG-CB 4.45Å; P514-R525 WeakPolarHBondContact O-CD 3.33Å; P514-Y692 HydrophobicContact CB-CD1 4.22Å; P514-Y692 HydrophobicContact CB-CD2 3.9Å; P514-Y692 HydrophobicContact CB-CE1 3.93Å; P514-Y692 HydrophobicContact CB-CE2 3.66Å; P514-Y692 HydrophobicContact CB-CG 4.17Å; P514-Y692 HydrophobicContact CG-CE1 4.11Å; P514-Y692 HydrophobicContact CG-CE2 3.78Å; P514-Y692 WeakPolarHBondContact CG-OH 3.34Å |
| 515 | R | 96.3 | Very high | 96.2 | Very high | 25 Ų | 25 | 29 Ų | 29 | 9% | 0.094 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83 | -13.6 | 174.8 | -62.9 | 170.7 | -71.3 | 169.3 | 0.8 | 113.3 | A507 D513 Y692 L695 S719 | A507-R515 PolarHBondContact O-NH1 3.01Å; A507-R515 PolarHBondContact O-NH2 3.02Å; D513-R515 PolarHBondContact O-N 2.9Å; D513-R515 WeakPolarHBondContact OD1-CB 3.39Å; D513-R515 IonicContact OD1-CZ 3.48Å; D513-R515 PolarHBondContact OD1-N 3.36Å; D513-R515 IonicContact OD1-NE 2.7Å; D513-R515 PolarHBondContact OD1-NE 3.48Å; D513-R515 IonicContact OD1-NH2 3.99Å; D513-R515 IonicContact OD2-CZ 2.87Å; D513-R515 IonicContact OD2-NE 3.68Å; D513-R515 IonicContact OD2-NH2 3.64Å; D513-R515 PolarHBondContact OD2-NH2 3.32Å; R515-Y692 HydrophobicContact CG-CD1 3.49Å; R515-Y692 VanDerWaalsContact CG-CD1 3.49Å; R515-Y692 HydrophobicContact CG-CE1 4.26Å; R515-Y692 HydrophobicContact CG-CG 4.21Å; R515-L695 HydrophobicContact CB-CB 4.15Å; R515-L695 HydrophobicContact CB-CD1 4.49Å; R515-S719 WeakPolarHBondContact CD-O 3.34Å; R515-S719 PolarHBondContact NH1-OG 3.25Å |
| 516 | L | 96.8 | Very high | 96.4 | Very high | 5 Ų | 5 | 25 Ų | 25 | 3% | 0.026 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -84.5 | 157.9 | 174.8 | -61.4 | 175.5 | 0 | 0 | 0 | 111.2 | I499 L502 V508 D513 T518 A521 L695 | I499-L516 HydrophobicContact CG2-CD1 4.06Å; L502-L516 HydrophobicContact CD1-CD2 4.12Å; V508-L516 HydrophobicContact CG1-CD2 4.21Å; V508-L516 HydrophobicContact CG1-CG 4.37Å; V508-L516 HydrophobicContact CG2-CD1 4.26Å; D513-L516 HydrophobicContact CB-CD1 4.35Å; D513-L516 HydrophobicContact CB-CG 4.42Å; D513-L516 WeakPolarHBondContact O-CB 3.39Å; D513-L516 PolarHBondContact O-N 2.97Å; L516-T518 HydrophobicContact CB-CG2 4.29Å; L516-A521 HydrophobicContact CB-CB 3.87Å; L516-A521 WeakPolarHBondContact O-CB 3.09Å; L516-L695 HydrophobicContact CD2-CD2 3.93Å |
| 517 | F | 96.8 | Very high | 96.7 | Very high | 18 Ų | 18 | 22.3 Ų | 22.3 | 8% | 0.079 | 10% | 0.101 | C | C | . | . | trans | -103.8 | 28.3 | 174.7 | -70.1 | -91.1 | 0 | 0 | 0 | 112.4 | H277 I278 L489 A492 L522 P550 | H277-F517 WeakPolarHBondContact CA-O 3.39Å; H277-F517 WeakPolarHBondContact CB-O 3.11Å; I278-F517 HydrophobicContact CG2-CB 4.35Å; I278-F517 PolarHBondContact N-O 2.71Å; L489-F517 HydrophobicContact CD1-CD1 3.49Å; L489-F517 VanDerWaalsContact CD1-CD1 3.49Å; L489-F517 HydrophobicContact CD1-CE1 3.62Å; L489-F517 HydrophobicContact CD1-CG 4.34Å; A492-F517 HydrophobicContact CB-CB 4.09Å; A492-F517 HydrophobicContact CB-CD2 3.5Å; A492-F517 HydrophobicContact CB-CE2 4.16Å; A492-F517 HydrophobicContact CB-CG 3.95Å; F517-L522 HydrophobicContact CD1-CD2 4.02Å; F517-P550 HydrophobicContact CE1-CB 4.08Å; F517-P550 HydrophobicContact CE1-CG 4.37Å; F517-P550 HydrophobicContact CZ-CB 3.82Å; F517-P550 HydrophobicContact CZ-CG 3.85Å | ||
| 518 | T | 97.1 | Very high | 96.9 | Very high | 1 Ų | 1 | 21.2 Ų | 21.2 | 1% | 0.006 | 9% | 0.092 | C | C | . | . | B | Isolated β-bridge | trans | -69.7 | 149.4 | 164.3 | 69.6 | 0 | 0 | 0 | 0 | 108.6 | I275 L276 I499 W511 L516 T520 A521 L522 | I275-T518 HydrophobicContact CG2-CG2 3.5Å; L276-T518 CarbonylContact O-C 3.52Å; L276-T518 VanDerWaalsContact O-CA 3.28Å; L276-T518 WeakPolarHBondContact O-CA 3.46Å; L276-T518 WeakPolarHBondContact O-CB 3.31Å; I499-T518 HydrophobicContact CD1-CG2 3.59Å; W511-T518 PolarHBondContact O-OG1 3.14Å; L516-T518 HydrophobicContact CB-CG2 4.29Å; T518-T520 VanDerWaalsContact C-N 3.26Å; T518-T520 PolarHBondContact O-N 3.43Å; T518-A521 PolarHBondContact O-N 3.38Å; T518-A521 WeakPolarHBondContact OG1-CB 3.43Å; T518-A521 PolarHBondContact OG1-N 3.28Å; T518-L522 WeakPolarHBondContact O-CG 3.39Å; T518-L522 PolarHBondContact O-N 3.18Å |
| 519 | L | 97.5 | Very high | 97 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -62.6 | -38.2 | -179.4 | -67 | -175.1 | 0 | 0 | 0 | 111.5 | L276 A281 I284 M321 L325 L522 R523 | L276-L519 HydrophobicContact CB-CB 4.42Å; L276-L519 HydrophobicContact CB-CD1 3.9Å; L276-L519 HydrophobicContact CB-CG 4.16Å; L276-L519 HydrophobicContact CD1-CD1 4.39Å; L276-L519 PolarHBondContact O-N 2.97Å; A281-L519 HydrophobicContact CB-CD1 4.48Å; A281-L519 HydrophobicContact CB-CD2 3.88Å; I284-L519 HydrophobicContact CD1-CD1 4.13Å; M321-L519 HydrophobicContact CB-CB 4.44Å; M321-L519 HydrophobicContact CB-CD1 4.2Å; M321-L519 HydrophobicContact CG-CB 3.83Å; M321-L519 HydrophobicContact CG-CD1 4.45Å; M321-L519 VanDerWaalsContact SD-C 3.59Å; M321-L519 HydrophobicContact SD-CB 3.62Å; L325-L519 HydrophobicContact CD1-CD1 4.25Å; L519-L522 PolarHBondContact O-N 2.8Å; L519-R523 PolarHBondContact O-N 3.44Å |
| 520 | T | 96.8 | Very high | 97.1 | Very high | 25 Ų | 25 | 21.1 Ų | 21.1 | 15% | 0.153 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -66.3 | -37.7 | 176.6 | -49.6 | 0 | 0 | 0 | 0 | 111.8 | W511 D512 T518 R523 R524 | W511-T520 HydrophobicContact CH2-CG2 3.7Å; W511-T520 WeakPolarHBondContact CH2-OG1 3.46Å; W511-T520 HydrophobicContact CZ2-CG2 4.5Å; W511-T520 HydrophobicContact CZ3-CG2 3.82Å; W511-T520 WeakPolarHBondContact CZ3-OG1 3.01Å; D512-T520 HydrophobicContact CB-CG2 3.85Å; T518-T520 VanDerWaalsContact C-N 3.26Å; T518-T520 PolarHBondContact O-N 3.43Å; T520-R523 PolarHBondContact O-N 3.12Å; T520-R524 WeakPolarHBondContact O-CB 3.49Å; T520-R524 PolarHBondContact O-N 3.27Å |
| 521 | A | 97.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -64.1 | -43.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | D512 D513 L516 T518 R523 R524 R525 | D512-A521 VanDerWaalsContact O-CA 3.32Å; D512-A521 WeakPolarHBondContact O-CA 3.41Å; D513-A521 WeakPolarHBondContact O-CB 3.47Å; L516-A521 HydrophobicContact CB-CB 3.87Å; L516-A521 WeakPolarHBondContact O-CB 3.09Å; T518-A521 PolarHBondContact O-N 3.38Å; T518-A521 WeakPolarHBondContact OG1-CB 3.43Å; T518-A521 PolarHBondContact OG1-N 3.28Å; A521-R523 VanDerWaalsContact C-N 3.32Å; A521-R523 PolarHBondContact O-N 3.07Å; A521-R524 CarbonylContact O-C 3.51Å; A521-R524 PolarHBondContact O-N 2.96Å; A521-R525 VanDerWaalsContact O-CB 3.29Å; A521-R525 WeakPolarHBondContact O-CB 3.43Å; A521-R525 PolarHBondContact O-N 3.48Å |
| 522 | L | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -64.1 | -38.5 | 177.1 | -65.3 | -180 | 0 | 0 | 0 | 111.7 | I278 F517 T518 L519 R525 G526 F527 I532 L553 | I278-L522 HydrophobicContact CB-CD1 4.23Å; I278-L522 HydrophobicContact CD1-CD1 3.94Å; I278-L522 HydrophobicContact CG1-CD1 4.46Å; F517-L522 HydrophobicContact CD1-CD2 4.02Å; T518-L522 WeakPolarHBondContact O-CG 3.39Å; T518-L522 PolarHBondContact O-N 3.18Å; L519-L522 PolarHBondContact O-N 2.8Å; L522-R525 WeakPolarHBondContact O-CB 3.33Å; L522-R525 PolarHBondContact O-N 2.72Å; L522-G526 PolarHBondContact O-N 2.87Å; L522-F527 HydrophobicContact CB-CB 4.46Å; L522-F527 HydrophobicContact CB-CD2 4.09Å; L522-F527 HydrophobicContact CB-CG 4.38Å; L522-F527 HydrophobicContact CD1-CD2 4.43Å; L522-F527 HydrophobicContact CD2-CD2 3.93Å; L522-F527 HydrophobicContact CD2-CE2 3.74Å; L522-F527 HydrophobicContact CD2-CZ 4.33Å; L522-F527 HydrophobicContact CG-CD2 4.36Å; L522-F527 WeakPolarHBondContact O-CB 3.49Å; L522-F527 PolarHBondContact O-N 2.7Å; L522-I532 HydrophobicContact CB-CD1 4.33Å; L522-I532 HydrophobicContact CD1-CD1 4.29Å; L522-L553 HydrophobicContact CD1-CD2 4.31Å |
| 523 | R | 98.4 | Very high | 97.1 | Very high | 66 Ų | 66 | 17 Ų | 17 | 25% | 0.249 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -61.2 | -48 | 171 | -178.9 | -178.9 | 169.2 | -176.6 | -3.1 | 111.3 | W324 L519 T520 A521 R525 G526 F738 | W324-R523 HydrophobicContact CD2-CB 4.31Å; W324-R523 HydrophobicContact CD2-CG 4.22Å; W324-R523 HydrophobicContact CE3-CB 4.47Å; W324-R523 HydrophobicContact CH2-CB 3.76Å; W324-R523 HydrophobicContact CH2-CG 4.45Å; W324-R523 HydrophobicContact CZ2-CB 3.6Å; W324-R523 HydrophobicContact CZ2-CG 3.8Å; W324-R523 HydrophobicContact CZ3-CB 4.21Å; L519-R523 PolarHBondContact O-N 3.44Å; T520-R523 PolarHBondContact O-N 3.12Å; A521-R523 VanDerWaalsContact C-N 3.32Å; A521-R523 PolarHBondContact O-N 3.07Å; R523-R525 VanDerWaalsContact C-N 3.34Å; R523-R525 PolarHBondContact O-N 3.44Å; R523-G526 WeakPolarHBondContact O-CA 3.46Å; R523-G526 PolarHBondContact O-N 2.87Å; R523-F738 HydrophobicContact CG-CD1 4.1Å; R523-F738 HydrophobicContact CG-CE1 3.83Å |
| 524 | R | 98.3 | Very high | 96.7 | Very high | 29 Ų | 29 | 19.6 Ų | 19.6 | 11% | 0.109 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -65.2 | -34.5 | 178.1 | -171.9 | 173.2 | -178.3 | 162 | 6.5 | 113.2 | D512 P514 T520 A521 G526 D752 P753 D754 N763 | D512-R524 VanDerWaalsContact CG-NH1 3.28Å; D512-R524 WeakPolarHBondContact O-CD 3.23Å; D512-R524 IonicContact OD1-NH1 3.69Å; D512-R524 PolarHBondContact OD1-NH1 3.43Å; D512-R524 WeakPolarHBondContact OD2-CD 3.43Å; D512-R524 IonicContact OD2-CZ 2.94Å; D512-R524 IonicContact OD2-NE 3.34Å; D512-R524 IonicContact OD2-NH1 2.81Å; D512-R524 PolarHBondContact OD2-NH1 2.89Å; P514-R524 HydrophobicContact CG-CG 4.23Å; T520-R524 WeakPolarHBondContact O-CB 3.49Å; T520-R524 PolarHBondContact O-N 3.27Å; A521-R524 CarbonylContact O-C 3.51Å; A521-R524 PolarHBondContact O-N 2.96Å; R524-G526 PolarHBondContact O-N 2.87Å; R524-D752 IonicContact CZ-OD1 3Å; R524-D752 IonicContact CZ-OD2 3.84Å; R524-D752 IonicContact NE-OD1 3.76Å; R524-D752 IonicContact NE-OD2 3.82Å; R524-D752 PolarHBondContact NE-OD2 3.11Å; R524-D752 IonicContact NH2-OD1 3.58Å; R524-D752 PolarHBondContact NH2-OD1 3.11Å; R524-D752 IonicContact NH2-OD2 3.34Å; R524-D752 PolarHBondContact NH2-OD2 3.36Å; R524-P753 HydrophobicContact CG-CG 4.33Å; R524-D754 IonicContact NH2-OD1 3.63Å; R524-D754 PolarHBondContact NH2-OD1 3.35Å; R524-D754 IonicContact NH2-OD2 3.44Å; R524-D754 PolarHBondContact NH2-OD2 3.35Å; R524-N763 PolarHBondContact O-ND2 3.13Å |
| 525 | R | 98.4 | Very high | 96.5 | Very high | 28 Ų | 28 | 19.7 Ų | 19.7 | 11% | 0.106 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -60.8 | -26.3 | 171.6 | -174.1 | 173.9 | 177.4 | 178.6 | -8.8 | 112 | P514 A521 L522 R523 F527 E554 T765 | P514-R525 HydrophobicContact CB-CB 3.76Å; P514-R525 HydrophobicContact CB-CG 4.05Å; P514-R525 HydrophobicContact CG-CB 4.45Å; P514-R525 WeakPolarHBondContact O-CD 3.33Å; A521-R525 VanDerWaalsContact O-CB 3.29Å; A521-R525 WeakPolarHBondContact O-CB 3.43Å; A521-R525 PolarHBondContact O-N 3.48Å; L522-R525 WeakPolarHBondContact O-CB 3.33Å; L522-R525 PolarHBondContact O-N 2.72Å; R523-R525 VanDerWaalsContact C-N 3.34Å; R523-R525 PolarHBondContact O-N 3.44Å; R525-F527 HydrophobicContact CB-CD1 4.49Å; R525-F527 HydrophobicContact CG-CD1 4.22Å; R525-F527 HydrophobicContact CG-CE1 3.97Å; R525-E554 IonicContact CZ-OE1 3.65Å; R525-E554 IonicContact NH1-OE1 3.13Å; R525-E554 IonicContact NH2-OE1 3.51Å; R525-E554 PolarHBondContact NH2-OE1 2.68Å; R525-T765 PolarHBondContact NE-O 3.34Å; R525-T765 PolarHBondContact NH2-O 2.69Å; R525-T765 WeakPolarHBondContact O-CA 3.46Å; R525-T765 WeakPolarHBondContact O-CB 3.49Å; R525-T765 PolarHBondContact O-OG1 3.28Å |
| 526 | G | 98.1 | Very high | 96.2 | Very high | 1 Ų | 1 | 18.8 Ų | 18.8 | 1% | 0.01 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 108.3 | 14.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | L522 R523 R524 | L522-G526 PolarHBondContact O-N 2.87Å; R523-G526 WeakPolarHBondContact O-CA 3.46Å; R523-G526 PolarHBondContact O-N 2.87Å; R524-G526 PolarHBondContact O-N 2.87Å |
| 527 | F | 98.6 | Very high | 95.6 | Very high | 2 Ų | 2 | 19.2 Ų | 19.2 | 1% | 0.009 | 10% | 0.098 | C | C | . | . | trans | -66 | 135.2 | 177.6 | -74 | 15.4 | 0 | 0 | 0 | 108.7 | W324 L522 R525 L553 E554 V557 T765 | W324-F527 VanDerWaalsContact CZ2-O 3.27Å; W324-F527 WeakPolarHBondContact CZ2-O 3.4Å; L522-F527 HydrophobicContact CB-CB 4.46Å; L522-F527 HydrophobicContact CB-CD2 4.09Å; L522-F527 HydrophobicContact CB-CG 4.38Å; L522-F527 HydrophobicContact CD1-CD2 4.43Å; L522-F527 HydrophobicContact CD2-CD2 3.93Å; L522-F527 HydrophobicContact CD2-CE2 3.74Å; L522-F527 HydrophobicContact CD2-CZ 4.33Å; L522-F527 HydrophobicContact CG-CD2 4.36Å; L522-F527 WeakPolarHBondContact O-CB 3.49Å; L522-F527 PolarHBondContact O-N 2.7Å; R525-F527 HydrophobicContact CB-CD1 4.49Å; R525-F527 HydrophobicContact CG-CD1 4.22Å; R525-F527 HydrophobicContact CG-CE1 3.97Å; F527-L553 HydrophobicContact CD2-CD2 4.25Å; F527-L553 HydrophobicContact CD2-CG 4.3Å; F527-L553 HydrophobicContact CE2-CD1 4.44Å; F527-L553 HydrophobicContact CE2-CD2 3.71Å; F527-L553 HydrophobicContact CE2-CG 3.76Å; F527-E554 HydrophobicContact CZ-CG 4.09Å; F527-V557 HydrophobicContact CB-CG2 4.19Å; F527-V557 HydrophobicContact CD1-CG1 3.94Å; F527-V557 HydrophobicContact CD1-CG2 3.83Å; F527-V557 HydrophobicContact CD2-CG2 3.56Å; F527-V557 HydrophobicContact CE1-CG1 4.18Å; F527-V557 HydrophobicContact CE1-CG2 4.02Å; F527-V557 HydrophobicContact CE2-CG2 3.77Å; F527-V557 HydrophobicContact CG-CG1 4.4Å; F527-V557 HydrophobicContact CG-CG2 3.59Å; F527-V557 HydrophobicContact CZ-CG2 4Å; F527-T765 HydrophobicContact CD1-CG2 3.52Å; F527-T765 HydrophobicContact CE1-CG2 3.8Å | ||
| 528 | P | 97.8 | Very high | 95 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.006 | 12% | 0.12 | C | C | . | . | trans | -77.9 | 143.8 | 171 | 30.2 | -30.5 | 0 | 0 | 0 | 110 | E530 A531 V560 L561 | P528-E530 WeakPolarHBondContact CB-OE2 3.48Å; P528-E530 PolarHBondContact O-N 2.97Å; P528-A531 HydrophobicContact CG-CB 3.73Å; P528-A531 WeakPolarHBondContact O-CB 3.38Å; P528-A531 PolarHBondContact O-N 3.45Å; P528-A531 VanDerWaalsContact O-N 3.08Å; P528-V560 HydrophobicContact CB-CG1 3.87Å; P528-V560 HydrophobicContact CG-CB 3.86Å; P528-V560 HydrophobicContact CG-CG1 3.49Å; P528-V560 VanDerWaalsContact CG-CG1 3.49Å; P528-L561 HydrophobicContact CB-CD2 4.48Å; P528-L561 HydrophobicContact CG-CD2 3.94Å; P528-L561 HydrophobicContact CG-CG 4.13Å | ||
| 529 | P | 97.1 | Very high | 94.3 | Very high | 18 Ų | 18 | 25.8 Ų | 25.8 | 12% | 0.117 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.1 | -33.1 | -179.3 | 24 | -32.9 | 0 | 0 | 0 | 112.5 | W324 L325 A531 I532 N533 | W324-P529 HydrophobicContact CD2-CB 4.21Å; W324-P529 HydrophobicContact CZ2-CB 4.32Å; W324-P529 WeakPolarHBondContact O-CB 3.31Å; W324-P529 WeakPolarHBondContact O-CG 3.36Å; L325-P529 HydrophobicContact CD2-CB 4.17Å; P529-A531 PolarHBondContact O-N 3.43Å; P529-I532 PolarHBondContact O-N 2.76Å; P529-I532 VanDerWaalsContact O-N 3.14Å; P529-N533 PolarHBondContact O-N 3.04Å |
| 530 | E | 95.3 | Very high | 93.1 | Very high | 104 Ų | 104 | 26.1 Ų | 26.1 | 49% | 0.486 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -60.4 | -33.8 | 176.7 | -56.7 | 82.9 | 175.6 | 0 | 0 | 112.1 | P528 S534 V560 | P528-E530 WeakPolarHBondContact CB-OE2 3.48Å; P528-E530 PolarHBondContact O-N 2.97Å; E530-S534 WeakPolarHBondContact O-CB 3.44Å; E530-S534 PolarHBondContact O-N 3.34Å; E530-S534 PolarHBondContact O-OG 3.13Å; E530-V560 HydrophobicContact CB-CG1 4.22Å; E530-V560 HydrophobicContact CB-CG2 4.29Å |
| 531 | A | 95.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -71.3 | -38.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | P528 P529 F535 C556 V557 V560 | P528-A531 HydrophobicContact CG-CB 3.73Å; P528-A531 WeakPolarHBondContact O-CB 3.38Å; P528-A531 PolarHBondContact O-N 3.45Å; P528-A531 VanDerWaalsContact O-N 3.08Å; P529-A531 PolarHBondContact O-N 3.43Å; A531-F535 VanDerWaalsContact O-CB 3.3Å; A531-F535 WeakPolarHBondContact O-CB 3.47Å; A531-F535 PolarHBondContact O-N 2.85Å; A531-C556 HydrophobicContact CB-CB 4.24Å; A531-V557 HydrophobicContact CB-CB 4.29Å; A531-V557 HydrophobicContact CB-CG2 3.77Å; A531-V560 HydrophobicContact CB-CB 4.28Å; A531-V560 HydrophobicContact CB-CG2 3.95Å |
| 532 | I | 96.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -68.1 | -42.7 | 176.5 | -65.2 | -177.8 | 0 | 0 | 0 | 110.6 | I278 A281 W324 L325 L522 P529 F535 C536 L553 | I278-I532 HydrophobicContact CD1-CG2 4.04Å; A281-I532 HydrophobicContact CB-CG2 3.47Å; A281-I532 VanDerWaalsContact CB-CG2 3.47Å; W324-I532 HydrophobicContact CH2-CD1 3.38Å; W324-I532 HydrophobicContact CZ3-CD1 3.6Å; L325-I532 HydrophobicContact CD2-CB 4.1Å; L325-I532 HydrophobicContact CD2-CD1 4.46Å; L325-I532 HydrophobicContact CD2-CG2 3.95Å; L522-I532 HydrophobicContact CB-CD1 4.33Å; L522-I532 HydrophobicContact CD1-CD1 4.29Å; P529-I532 PolarHBondContact O-N 2.76Å; P529-I532 VanDerWaalsContact O-N 3.14Å; I532-F535 WeakPolarHBondContact O-CB 3.49Å; I532-F535 PolarHBondContact O-N 3.16Å; I532-C536 PolarHBondContact O-N 3.42Å; I532-C536 PolarHBondContact O-SG 3.33Å; I532-L553 HydrophobicContact CG1-CD1 4.43Å |
| 533 | N | 92.8 | Very high | 89.4 | Confident | 29 Ų | 29 | 33.8 Ų | 33.8 | 16% | 0.155 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.9 | -44.8 | 177 | -68.1 | -10.7 | 0 | 0 | 0 | 111.1 | N285 L325 P529 F535 C536 A537 | N285-N533 PolarHBondContact ND2-OD1 3.27Å; N285-N533 PolarHBondContact OD1-OD1 3.27Å; N285-N533 VanDerWaalsContact OD1-OD1 3.08Å; L325-N533 PolarHBondContact O-ND2 3.34Å; P529-N533 PolarHBondContact O-N 3.04Å; N533-F535 VanDerWaalsContact C-N 3.32Å; N533-F535 PolarHBondContact O-N 3.2Å; N533-C536 PolarHBondContact O-N 3.43Å; N533-A537 PolarHBondContact O-N 3.14Å |
| 534 | S | 89.9 | Confident | 88.3 | Confident | 57 Ų | 57 | 33.3 Ų | 33.3 | 40% | 0.399 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -61.7 | -38.8 | 174.2 | -63.9 | 0 | 0 | 0 | 0 | 112.3 | E530 A537 R538 | E530-S534 WeakPolarHBondContact O-CB 3.44Å; E530-S534 PolarHBondContact O-N 3.34Å; E530-S534 PolarHBondContact O-OG 3.13Å; S534-A537 WeakPolarHBondContact O-CB 3.44Å; S534-A537 PolarHBondContact O-N 3.08Å; S534-R538 WeakPolarHBondContact O-CG 3.49Å; S534-R538 PolarHBondContact O-N 3.11Å |
| 535 | F | 92.3 | Very high | 87.3 | Confident | 4 Ų | 4 | 37.6 Ų | 37.6 | 2% | 0.018 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61 | -48.5 | 172.8 | 177.2 | -115.9 | 0 | 0 | 0 | 111.1 | I278 L487 L489 A531 I532 N533 A537 R538 V539 M548 L552 L553 C556 | I278-F535 HydrophobicContact CD1-CD1 4.47Å; I278-F535 HydrophobicContact CG1-CE1 4.42Å; L487-F535 HydrophobicContact CD1-CE1 4.36Å; L487-F535 HydrophobicContact CD1-CZ 4.46Å; L487-F535 HydrophobicContact CD2-CE1 3.9Å; L489-F535 HydrophobicContact CD2-CE1 4.46Å; L489-F535 HydrophobicContact CD2-CZ 4.15Å; A531-F535 VanDerWaalsContact O-CB 3.3Å; A531-F535 WeakPolarHBondContact O-CB 3.47Å; A531-F535 PolarHBondContact O-N 2.85Å; I532-F535 WeakPolarHBondContact O-CB 3.49Å; I532-F535 PolarHBondContact O-N 3.16Å; N533-F535 VanDerWaalsContact C-N 3.32Å; N533-F535 PolarHBondContact O-N 3.2Å; F535-A537 VanDerWaalsContact C-N 3.28Å; F535-A537 PolarHBondContact O-N 2.87Å; F535-R538 PolarHBondContact O-N 3.23Å; F535-R538 VanDerWaalsContact O-N 3.15Å; F535-V539 HydrophobicContact CD1-CG2 4.41Å; F535-V539 HydrophobicContact CD2-CG2 4.19Å; F535-V539 HydrophobicContact CE1-CG2 4.1Å; F535-V539 HydrophobicContact CE2-CG2 3.83Å; F535-V539 HydrophobicContact CG-CG2 4.46Å; F535-V539 HydrophobicContact CZ-CG2 3.78Å; F535-V539 VanDerWaalsContact O-CG2 3.32Å; F535-V539 WeakPolarHBondContact O-CG2 3.38Å; F535-V539 PolarHBondContact O-N 2.86Å; F535-M548 HydrophobicContact CE2-SD 3.93Å; F535-M548 HydrophobicContact CZ-CB 4.49Å; F535-M548 HydrophobicContact CZ-SD 3.78Å; F535-L552 HydrophobicContact CE2-CB 4.16Å; F535-L553 HydrophobicContact CB-CD1 3.7Å; F535-L553 HydrophobicContact CD1-CB 4.3Å; F535-L553 HydrophobicContact CD1-CD1 3.76Å; F535-L553 HydrophobicContact CD1-CG 4.47Å; F535-L553 HydrophobicContact CD2-CB 4.11Å; F535-L553 HydrophobicContact CD2-CD1 4.37Å; F535-L553 HydrophobicContact CE1-CB 4.26Å; F535-L553 HydrophobicContact CE1-CD1 4.46Å; F535-L553 HydrophobicContact CE2-CB 4.12Å; F535-L553 HydrophobicContact CG-CB 4.21Å; F535-L553 HydrophobicContact CG-CD1 3.69Å; F535-L553 HydrophobicContact CZ-CB 4.2Å; F535-C556 HydrophobicContact CB-CB 4.37Å |
| 536 | C | 90.1 | Very high | 86.4 | Confident | 7 Ų | 7 | 38 Ų | 38 | 5% | 0.047 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59 | -38.7 | 176.9 | -65.5 | 0 | 0 | 0 | 0 | 112.4 | N285 I532 N533 V539 G540 | N285-C536 HydrophobicContact CB-CB 4.21Å; I532-C536 PolarHBondContact O-N 3.42Å; I532-C536 PolarHBondContact O-SG 3.33Å; N533-C536 PolarHBondContact O-N 3.43Å; C536-V539 PolarHBondContact O-N 3.39Å; C536-G540 PolarHBondContact O-N 3.41Å |
| 537 | A | 83.9 | Confident | 85.9 | Confident | 13 Ų | 13 | 41.2 Ų | 41.2 | 11% | 0.107 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.3 | -48 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L220 Q223 N533 S534 F535 V539 G540 | L220-A537 HydrophobicContact CB-CB 3.83Å; L220-A537 HydrophobicContact CD1-CB 3.74Å; L220-A537 HydrophobicContact CG-CB 4.3Å; Q223-A537 PolarHBondContact OE1-O 3.25Å; N533-A537 PolarHBondContact O-N 3.14Å; S534-A537 WeakPolarHBondContact O-CB 3.44Å; S534-A537 PolarHBondContact O-N 3.08Å; F535-A537 VanDerWaalsContact C-N 3.28Å; F535-A537 PolarHBondContact O-N 2.87Å; A537-V539 PolarHBondContact O-N 3.15Å; A537-G540 WeakPolarHBondContact O-CA 3.31Å; A537-G540 PolarHBondContact O-N 2.93Å; A537-G540 VanDerWaalsContact O-N 3.1Å |
| 538 | R | 83.9 | Confident | 85.5 | Confident | 141 Ų | 141 | 43.1 Ų | 43.1 | 53% | 0.532 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -64.4 | -37.8 | 178.5 | -71.4 | 176.8 | 65.8 | -162.8 | 1 | 113.2 | S534 F535 G540 C556 | S534-R538 WeakPolarHBondContact O-CG 3.49Å; S534-R538 PolarHBondContact O-N 3.11Å; F535-R538 PolarHBondContact O-N 3.23Å; F535-R538 VanDerWaalsContact O-N 3.15Å; R538-G540 VanDerWaalsContact C-N 3.28Å; R538-C556 PolarHBondContact NH1-SG 3.42Å |
| 539 | V | 83.1 | Confident | 85.2 | Confident | 16 Ų | 16 | 44.8 Ų | 44.8 | 10% | 0.097 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.4 | -38.9 | 172.9 | 176.7 | 0 | 0 | 0 | 0 | 110.6 | L487 F535 C536 A537 M548 | L487-V539 HydrophobicContact CD1-CG1 4.35Å; L487-V539 HydrophobicContact CD1-CG2 4.41Å; F535-V539 HydrophobicContact CD1-CG2 4.41Å; F535-V539 HydrophobicContact CD2-CG2 4.19Å; F535-V539 HydrophobicContact CE1-CG2 4.1Å; F535-V539 HydrophobicContact CE2-CG2 3.83Å; F535-V539 HydrophobicContact CG-CG2 4.46Å; F535-V539 HydrophobicContact CZ-CG2 3.78Å; F535-V539 VanDerWaalsContact O-CG2 3.32Å; F535-V539 WeakPolarHBondContact O-CG2 3.38Å; F535-V539 PolarHBondContact O-N 2.86Å; C536-V539 PolarHBondContact O-N 3.39Å; A537-V539 PolarHBondContact O-N 3.15Å; V539-M548 HydrophobicContact CB-CE 4.21Å; V539-M548 HydrophobicContact CB-SD 4.46Å; V539-M548 HydrophobicContact CG1-CE 3.98Å; V539-M548 HydrophobicContact CG1-SD 4.39Å; V539-M548 HydrophobicContact CG2-CE 3.71Å; V539-M548 HydrophobicContact CG2-SD 3.41Å; V539-M548 WeakPolarHBondContact CG2-SD 3.35Å |
| 540 | G | 73.4 | Confident | 85 | Confident | 7 Ų | 7 | 44.4 Ų | 44.4 | 7% | 0.072 | 25% | 0.245 | C | C | . | . | trans | 70 | -174.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q223 K282 C536 A537 R538 | Q223-G540 VanDerWaalsContact NE2-CA 3.27Å; K282-G540 WeakPolarHBondContact CE-O 3.27Å; K282-G540 PolarHBondContact NZ-O 2.82Å; C536-G540 PolarHBondContact O-N 3.41Å; A537-G540 WeakPolarHBondContact O-CA 3.31Å; A537-G540 PolarHBondContact O-N 2.93Å; A537-G540 VanDerWaalsContact O-N 3.1Å; R538-G540 VanDerWaalsContact C-N 3.28Å | ||
| 541 | V | 71.5 | Confident | 84.8 | Confident | 46 Ų | 46 | 42 Ų | 42 | 28% | 0.279 | 23% | 0.234 | S | C | . | . | trans | -103.8 | 93.6 | -176 | -174.1 | 0 | 0 | 0 | 0 | 108.9 | L224 L229 F286 | L224-V541 HydrophobicContact CD2-CG2 4.06Å; L229-V541 HydrophobicContact CD2-CB 4.03Å; L229-V541 HydrophobicContact CD2-CG1 4.3Å; L229-V541 HydrophobicContact CD2-CG2 4.26Å; F286-V541 HydrophobicContact CD2-CG1 4.46Å; F286-V541 HydrophobicContact CD2-CG2 3.71Å; F286-V541 HydrophobicContact CE1-CG1 4.07Å; F286-V541 HydrophobicContact CE2-CB 4.18Å; F286-V541 HydrophobicContact CE2-CG1 3.67Å; F286-V541 HydrophobicContact CE2-CG2 3.43Å; F286-V541 VanDerWaalsContact CE2-CG2 3.43Å; F286-V541 HydrophobicContact CZ-CB 4.42Å; F286-V541 HydrophobicContact CZ-CG1 3.43Å; F286-V541 VanDerWaalsContact CZ-CG1 3.43Å; F286-V541 HydrophobicContact CZ-CG2 4.11Å | ||
| 542 | T | 70.3 | Confident | 84.7 | Confident | 61 Ų | 61 | 44.8 Ų | 44.8 | 37% | 0.374 | 25% | 0.249 | S | C | . | . | trans | -114.3 | 154.7 | 172.7 | 63.6 | 0 | 0 | 0 | 0 | 110.1 | G485 | G485-T542 PolarHBondContact N-O 2.81Š| ||
| 543 | V | 71.7 | Confident | 84.6 | Confident | 79 Ų | 79 | 44.9 Ų | 44.9 | 48% | 0.479 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -79.3 | -24.2 | 175.9 | -175.2 | 0 | 0 | 0 | 0 | 111.1 | K458 G485 | K458-V543 HydrophobicContact CD-CG1 4.12Å; K458-V543 VanDerWaalsContact CD-O 3.26Å; K458-V543 WeakPolarHBondContact CD-O 3.49Å; G485-V543 WeakPolarHBondContact CA-O 3.34Å |
| 544 | A | 75.3 | Confident | 84.7 | Confident | 57 Ų | 57 | 45.3 Ų | 45.3 | 47% | 0.471 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -73.7 | 136.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112 | G485 T546 | G485-A544 WeakPolarHBondContact CA-O 2.96Å; A544-T546 PolarHBondContact O-N 2.98Å; A544-T546 PolarHBondContact O-OG1 2.88Å; A544-T546 VanDerWaalsContact O-OG1 3.14Å |
| 545 | Q | 78.3 | Confident | 85 | Confident | 118 Ų | 118 | 43.4 Ų | 43.4 | 55% | 0.551 | 24% | 0.238 | S | C | * | . | trans | -59.7 | 132.3 | 167.8 | -75.4 | 178.5 | -21.2 | 0 | 0 | 108.8 | E459 R486 | E459-Q545 PolarHBondContact OE1-NE2 3Å; R486-Q545 HydrophobicContact CB-CG 4.37Å | ||
| 546 | T | 78.8 | Confident | 85.1 | Confident | 37 Ų | 37 | 43.4 Ų | 43.4 | 23% | 0.227 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 119.8 | -177.2 | -38 | 0 | 0 | 0 | 0 | 108.8 | R486 N488 A544 M548 | R486-T546 PolarHBondContact O-N 3.26Å; R486-T546 VanDerWaalsContact O-N 3.08Å; N488-T546 PolarHBondContact N-O 3.16Å; N488-T546 VanDerWaalsContact N-O 3.11Å; A544-T546 PolarHBondContact O-N 2.98Å; A544-T546 PolarHBondContact O-OG1 2.88Å; A544-T546 VanDerWaalsContact O-OG1 3.14Å; T546-M548 HydrophobicContact CG2-CE 3.95Å; T546-M548 HydrophobicContact CG2-CG 4.07Å |
| 547 | T | 87.2 | Confident | 85.4 | Confident | 69 Ų | 69 | 43 Ų | 43 | 42% | 0.423 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 130.7 | 167.1 | -51.5 | 0 | 0 | 0 | 0 | 107.9 | N488 H490 | N488-T547 HydrophobicContact CB-CG2 4.35Å; N488-T547 WeakPolarHBondContact O-CA 3.49Å; H490-T547 WeakPolarHBondContact CE1-CG2 3.24Å |
| 548 | M | 89.9 | Confident | 86 | Confident | 42 Ų | 42 | 44.4 Ų | 44.4 | 21% | 0.207 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 156.8 | -176.6 | -71.6 | -168.7 | 162.4 | 0 | 0 | 112.2 | L487 N488 L489 H490 F535 V539 T546 L552 | L487-M548 HydrophobicContact CD1-CG 4.47Å; L487-M548 HydrophobicContact CD1-SD 4.39Å; N488-M548 PolarHBondContact O-N 3.16Å; L489-M548 CarbonylContact C-O 3.44Å; L489-M548 VanDerWaalsContact CA-O 3.29Å; L489-M548 WeakPolarHBondContact CA-O 3.43Å; L489-M548 HydrophobicContact CD2-CB 3.78Å; L489-M548 WeakPolarHBondContact CD2-O 3.36Å; H490-M548 PolarHBondContact N-O 3.13Å; F535-M548 HydrophobicContact CE2-SD 3.93Å; F535-M548 HydrophobicContact CZ-CB 4.49Å; F535-M548 HydrophobicContact CZ-SD 3.78Å; V539-M548 HydrophobicContact CB-CE 4.21Å; V539-M548 HydrophobicContact CB-SD 4.46Å; V539-M548 HydrophobicContact CG1-CE 3.98Å; V539-M548 HydrophobicContact CG1-SD 4.39Å; V539-M548 HydrophobicContact CG2-CE 3.71Å; V539-M548 HydrophobicContact CG2-SD 3.41Å; V539-M548 WeakPolarHBondContact CG2-SD 3.35Å; T546-M548 HydrophobicContact CG2-CE 3.95Å; T546-M548 HydrophobicContact CG2-CG 4.07Å; M548-L552 HydrophobicContact CB-CD1 4.37Å; M548-L552 HydrophobicContact SD-CD1 4.4Å |
| 549 | E | 92.2 | Very high | 86.5 | Confident | 36 Ų | 36 | 42.4 Ų | 42.4 | 17% | 0.168 | 24% | 0.238 | C | C | . | . | trans | -77.6 | 135.5 | 173.5 | -68.1 | -70.5 | 173.8 | 0 | 0 | 110.8 | H490 Y491 H551 L552 K699 | H490-E549 IonicContact CD2-OE1 3.12Å; Y491-E549 WeakPolarHBondContact CE2-OE2 3.19Å; E549-H551 WeakPolarHBondContact CB-CD2 3.42Å; E549-H551 WeakPolarHBondContact CB-NE2 3.27Å; E549-H551 PolarHBondContact O-N 2.94Å; E549-H551 VanDerWaalsContact O-N 3.14Å; E549-L552 WeakPolarHBondContact O-CB 3.29Å; E549-L552 PolarHBondContact O-N 3.05Å; E549-K699 WeakPolarHBondContact OE1-CE 3.14Å; E549-K699 IonicContact OE1-NZ 3.27Å; E549-K699 PolarHBondContact OE1-NZ 3.46Å | ||
| 550 | P | 93.9 | Very high | 87.2 | Confident | 9 Ų | 9 | 42.8 Ų | 42.8 | 6% | 0.058 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -56.3 | -30.4 | -178.2 | -29.8 | 36.2 | 0 | 0 | 0 | 115.4 | H490 Y491 F517 L552 L553 E554 | H490-P550 VanDerWaalsContact O-CG 3.31Å; H490-P550 WeakPolarHBondContact O-CG 3.26Å; Y491-P550 HydrophobicContact CD2-CG 4.14Å; F517-P550 HydrophobicContact CE1-CB 4.08Å; F517-P550 HydrophobicContact CE1-CG 4.37Å; F517-P550 HydrophobicContact CZ-CB 3.82Å; F517-P550 HydrophobicContact CZ-CG 3.85Å; P550-L552 PolarHBondContact O-N 3.33Å; P550-L553 WeakPolarHBondContact O-CB 3.45Å; P550-L553 PolarHBondContact O-N 3.06Å; P550-L553 VanDerWaalsContact O-N 3.07Å; P550-E554 PolarHBondContact O-N 3.33Å; P550-E554 VanDerWaalsContact O-N 3.09Å |
| 551 | H | 91.3 | Very high | 88.3 | Confident | 54 Ų | 54 | 42.5 Ų | 42.5 | 25% | 0.25 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.6 | -24.6 | -177.3 | 74.4 | 87.4 | 0 | 0 | 0 | 112.7 | E549 E554 A555 E770 | E549-H551 WeakPolarHBondContact CB-CD2 3.42Å; E549-H551 WeakPolarHBondContact CB-NE2 3.27Å; E549-H551 PolarHBondContact O-N 2.94Å; E549-H551 VanDerWaalsContact O-N 3.14Å; H551-E554 CarbonylContact O-C 3.58Å; H551-E554 PolarHBondContact O-N 3.19Å; H551-A555 PolarHBondContact O-N 3.43Å; H551-E770 IonicContact CG-OE1 3.97Å; H551-E770 IonicContact ND1-OE1 2.74Å; H551-E770 PolarHBondContact ND1-OE1 3.39Å; H551-E770 IonicContact ND1-OE2 2.72Å |
| 552 | L | 92.1 | Very high | 89.4 | Confident | 59 Ų | 59 | 43.6 Ų | 43.6 | 31% | 0.309 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -66.5 | -38.4 | 174.7 | -63.6 | 175.3 | 0 | 0 | 0 | 112.1 | F535 M548 E549 P550 A555 | F535-L552 HydrophobicContact CE2-CB 4.16Å; M548-L552 HydrophobicContact CB-CD1 4.37Å; M548-L552 HydrophobicContact SD-CD1 4.4Å; E549-L552 WeakPolarHBondContact O-CB 3.29Å; E549-L552 PolarHBondContact O-N 3.05Å; P550-L552 PolarHBondContact O-N 3.33Å; L552-A555 WeakPolarHBondContact O-CB 3.33Å |
| 553 | L | 94.9 | Very high | 90.6 | Very high | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -69.5 | -43.6 | 172.6 | 169.8 | 60.7 | 0 | 0 | 0 | 110.2 | I278 L489 L522 F527 I532 F535 P550 A555 C556 V557 | I278-L553 HydrophobicContact CD1-CD2 4Å; I278-L553 HydrophobicContact CG1-CD2 4.25Å; L489-L553 HydrophobicContact CD1-CD2 4.1Å; L522-L553 HydrophobicContact CD1-CD2 4.31Å; F527-L553 HydrophobicContact CD2-CD2 4.25Å; F527-L553 HydrophobicContact CD2-CG 4.3Å; F527-L553 HydrophobicContact CE2-CD1 4.44Å; F527-L553 HydrophobicContact CE2-CD2 3.71Å; F527-L553 HydrophobicContact CE2-CG 3.76Å; I532-L553 HydrophobicContact CG1-CD1 4.43Å; F535-L553 HydrophobicContact CB-CD1 3.7Å; F535-L553 HydrophobicContact CD1-CB 4.3Å; F535-L553 HydrophobicContact CD1-CD1 3.76Å; F535-L553 HydrophobicContact CD1-CG 4.47Å; F535-L553 HydrophobicContact CD2-CB 4.11Å; F535-L553 HydrophobicContact CD2-CD1 4.37Å; F535-L553 HydrophobicContact CE1-CB 4.26Å; F535-L553 HydrophobicContact CE1-CD1 4.46Å; F535-L553 HydrophobicContact CE2-CB 4.12Å; F535-L553 HydrophobicContact CG-CB 4.21Å; F535-L553 HydrophobicContact CG-CD1 3.69Å; F535-L553 HydrophobicContact CZ-CB 4.2Å; P550-L553 WeakPolarHBondContact O-CB 3.45Å; P550-L553 PolarHBondContact O-N 3.06Å; P550-L553 VanDerWaalsContact O-N 3.07Å; L553-A555 PolarHBondContact O-N 3.26Å; L553-C556 WeakPolarHBondContact O-CB 3.27Å; L553-C556 PolarHBondContact O-N 3.18Å; L553-C556 VanDerWaalsContact O-N 3.12Å; L553-V557 WeakPolarHBondContact O-CG2 3.46Å; L553-V557 PolarHBondContact O-N 2.87Å; L553-V557 VanDerWaalsContact O-N 3.1Å |
| 554 | E | 95.7 | Very high | 91.7 | Very high | 39 Ų | 39 | 45.1 Ų | 45.1 | 18% | 0.182 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62 | -27.7 | 176.8 | -70.1 | 174.7 | 168.3 | 0 | 0 | 112.9 | R525 F527 P550 H551 V557 R558 V766 | R525-E554 IonicContact CZ-OE1 3.65Å; R525-E554 IonicContact NH1-OE1 3.13Å; R525-E554 IonicContact NH2-OE1 3.51Å; R525-E554 PolarHBondContact NH2-OE1 2.68Å; F527-E554 HydrophobicContact CZ-CG 4.09Å; P550-E554 PolarHBondContact O-N 3.33Å; P550-E554 VanDerWaalsContact O-N 3.09Å; H551-E554 CarbonylContact O-C 3.58Å; H551-E554 PolarHBondContact O-N 3.19Å; E554-V557 PolarHBondContact O-N 3.41Å; E554-R558 WeakPolarHBondContact O-CG 3.03Å; E554-R558 PolarHBondContact O-N 2.91Å; E554-R558 PolarHBondContact O-NE 3.35Å; E554-V766 HydrophobicContact CB-CG2 3.8Å; E554-V766 HydrophobicContact CG-CG2 4.18Å |
| 555 | A | 94.6 | Very high | 92.8 | Very high | 16 Ų | 16 | 42.5 Ų | 42.5 | 13% | 0.132 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.4 | -49.5 | 171 | 0 | 0 | 0 | 0 | 0 | 111.6 | H551 L552 L553 V557 R558 D559 | H551-A555 PolarHBondContact O-N 3.43Å; L552-A555 WeakPolarHBondContact O-CB 3.33Å; L553-A555 PolarHBondContact O-N 3.26Å; A555-V557 PolarHBondContact O-N 3.08Å; A555-R558 WeakPolarHBondContact O-CB 3.47Å; A555-R558 PolarHBondContact O-N 3.04Å; A555-R558 VanDerWaalsContact O-N 3.1Å; A555-D559 VanDerWaalsContact O-CG 3.25Å; A555-D559 PolarHBondContact O-N 3.14Å |
| 556 | C | 94.9 | Very high | 93.7 | Very high | 4 Ų | 4 | 38.6 Ų | 38.6 | 3% | 0.027 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.2 | -37 | 174.2 | -61.4 | 0 | 0 | 0 | 0 | 111.9 | A531 F535 R538 L553 D559 V560 | A531-C556 HydrophobicContact CB-CB 4.24Å; F535-C556 HydrophobicContact CB-CB 4.37Å; R538-C556 PolarHBondContact NH1-SG 3.42Å; L553-C556 WeakPolarHBondContact O-CB 3.27Å; L553-C556 PolarHBondContact O-N 3.18Å; L553-C556 VanDerWaalsContact O-N 3.12Å; C556-D559 PolarHBondContact O-N 2.74Å; C556-V560 WeakPolarHBondContact O-CG2 3.48Å; C556-V560 PolarHBondContact O-N 2.71Å; C556-V560 VanDerWaalsContact O-N 3.14Å |
| 557 | V | 97.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.7 | -44.4 | 176.8 | 174.8 | 0 | 0 | 0 | 0 | 111 | F527 A531 L553 E554 A555 D559 V560 L561 T765 V766 | F527-V557 HydrophobicContact CB-CG2 4.19Å; F527-V557 HydrophobicContact CD1-CG1 3.94Å; F527-V557 HydrophobicContact CD1-CG2 3.83Å; F527-V557 HydrophobicContact CD2-CG2 3.56Å; F527-V557 HydrophobicContact CE1-CG1 4.18Å; F527-V557 HydrophobicContact CE1-CG2 4.02Å; F527-V557 HydrophobicContact CE2-CG2 3.77Å; F527-V557 HydrophobicContact CG-CG1 4.4Å; F527-V557 HydrophobicContact CG-CG2 3.59Å; F527-V557 HydrophobicContact CZ-CG2 4Å; A531-V557 HydrophobicContact CB-CB 4.29Å; A531-V557 HydrophobicContact CB-CG2 3.77Å; L553-V557 WeakPolarHBondContact O-CG2 3.46Å; L553-V557 PolarHBondContact O-N 2.87Å; L553-V557 VanDerWaalsContact O-N 3.1Å; E554-V557 PolarHBondContact O-N 3.41Å; A555-V557 PolarHBondContact O-N 3.08Å; V557-D559 VanDerWaalsContact C-N 3.35Å; V557-D559 PolarHBondContact O-N 2.72Å; V557-V560 PolarHBondContact O-N 3.25Å; V557-L561 HydrophobicContact CG1-CD1 3.55Å; V557-L561 HydrophobicContact CG1-CG 4.16Å; V557-L561 WeakPolarHBondContact O-CB 3.45Å; V557-L561 VanDerWaalsContact O-CG 3.25Å; V557-L561 WeakPolarHBondContact O-CG 3.37Å; V557-L561 PolarHBondContact O-N 3.13Å; V557-T765 HydrophobicContact CG1-CG2 3.99Å; V557-V766 HydrophobicContact CG1-CG1 3.97Å |
| 558 | R | 96.8 | Very high | 95 | Very high | 41 Ų | 41 | 34 Ų | 34 | 16% | 0.155 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60 | -44.6 | 175.7 | -79 | 177.9 | -87.8 | 128.4 | -12 | 111.8 | E554 A555 L561 N562 Y748 V766 T767 E770 | E554-R558 WeakPolarHBondContact O-CG 3.03Å; E554-R558 PolarHBondContact O-N 2.91Å; E554-R558 PolarHBondContact O-NE 3.35Å; A555-R558 WeakPolarHBondContact O-CB 3.47Å; A555-R558 PolarHBondContact O-N 3.04Å; A555-R558 VanDerWaalsContact O-N 3.1Å; R558-L561 PolarHBondContact O-N 3.26Å; R558-N562 VanDerWaalsContact O-CB 3.32Å; R558-N562 WeakPolarHBondContact O-CB 3.37Å; R558-N562 PolarHBondContact O-N 3.41Å; R558-Y748 HydrophobicContact CG-CD2 4.49Å; R558-Y748 HydrophobicContact CG-CE2 4.24Å; R558-V766 HydrophobicContact CG-CG1 3.76Å; R558-V766 HydrophobicContact CG-CG2 4.02Å; R558-T767 WeakPolarHBondContact CD-O 3.43Å; R558-E770 IonicContact NH2-OE1 2.73Å; R558-E770 PolarHBondContact NH2-OE1 3.08Å |
| 559 | D | 94.3 | Very high | 95.4 | Very high | 99 Ų | 99 | 32 Ų | 32 | 53% | 0.529 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -61.1 | -48.3 | -178.5 | -61.8 | -20.8 | 0 | 0 | 0 | 110.7 | A555 C556 V557 | A555-D559 VanDerWaalsContact O-CG 3.25Å; A555-D559 PolarHBondContact O-N 3.14Å; C556-D559 PolarHBondContact O-N 2.74Å; V557-D559 VanDerWaalsContact C-N 3.35Å; V557-D559 PolarHBondContact O-N 2.72Å |
| 560 | V | 96.4 | Very high | 95.6 | Very high | 25 Ų | 25 | 30.4 Ų | 30.4 | 15% | 0.152 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66.7 | -46.1 | 178.4 | 175.6 | 0 | 0 | 0 | 0 | 112 | P528 E530 A531 C556 V557 N562 D563 T564 | P528-V560 HydrophobicContact CB-CG1 3.87Å; P528-V560 HydrophobicContact CG-CB 3.86Å; P528-V560 HydrophobicContact CG-CG1 3.49Å; P528-V560 VanDerWaalsContact CG-CG1 3.49Å; E530-V560 HydrophobicContact CB-CG1 4.22Å; E530-V560 HydrophobicContact CB-CG2 4.29Å; A531-V560 HydrophobicContact CB-CB 4.28Å; A531-V560 HydrophobicContact CB-CG2 3.95Å; C556-V560 WeakPolarHBondContact O-CG2 3.48Å; C556-V560 PolarHBondContact O-N 2.71Å; C556-V560 VanDerWaalsContact O-N 3.14Å; V557-V560 PolarHBondContact O-N 3.25Å; V560-N562 VanDerWaalsContact C-N 3.27Å; V560-N562 PolarHBondContact O-N 2.81Å; V560-D563 PolarHBondContact O-N 3.21Å; V560-T564 HydrophobicContact CG1-CG2 4.22Å; V560-T564 WeakPolarHBondContact O-CB 3.22Å; V560-T564 WeakPolarHBondContact O-CG2 3.44Å; V560-T564 PolarHBondContact O-N 2.97Å; V560-T564 VanDerWaalsContact O-N 3.15Å; V560-T564 PolarHBondContact O-OG1 2.97Å |
| 561 | L | 97.3 | Very high | 95.8 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -69.1 | -26.7 | -176.7 | -68 | 178.7 | 0 | 0 | 0 | 112.5 | P528 V557 R558 D563 T564 A565 K740 Y748 T765 | P528-L561 HydrophobicContact CB-CD2 4.48Å; P528-L561 HydrophobicContact CG-CD2 3.94Å; P528-L561 HydrophobicContact CG-CG 4.13Å; V557-L561 HydrophobicContact CG1-CD1 3.55Å; V557-L561 HydrophobicContact CG1-CG 4.16Å; V557-L561 WeakPolarHBondContact O-CB 3.45Å; V557-L561 VanDerWaalsContact O-CG 3.25Å; V557-L561 WeakPolarHBondContact O-CG 3.37Å; V557-L561 PolarHBondContact O-N 3.13Å; R558-L561 PolarHBondContact O-N 3.26Å; L561-D563 PolarHBondContact O-N 3.28Å; L561-T564 PolarHBondContact O-N 2.7Å; L561-A565 HydrophobicContact CB-CB 4.24Å; L561-A565 HydrophobicContact CD2-CB 4.29Å; L561-A565 WeakPolarHBondContact O-CB 3.27Å; L561-A565 PolarHBondContact O-N 3.25Å; L561-K740 HydrophobicContact CD2-CB 3.95Å; L561-K740 HydrophobicContact CD2-CD 4.38Å; L561-K740 HydrophobicContact CD2-CG 4.03Å; L561-Y748 HydrophobicContact CB-CD1 3.55Å; L561-Y748 HydrophobicContact CB-CE1 3.66Å; L561-Y748 HydrophobicContact CB-CG 4Å; L561-Y748 HydrophobicContact CD1-CD1 4.14Å; L561-Y748 HydrophobicContact CD1-CG 3.9Å; L561-Y748 HydrophobicContact CG-CD1 4.46Å; L561-T765 HydrophobicContact CD1-CG2 4.06Å |
| 562 | N | 95.3 | Very high | 96.1 | Very high | 68 Ų | 68 | 28.4 Ų | 28.4 | 36% | 0.364 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -59.4 | -35.5 | 174.3 | -173.8 | 67.3 | 0 | 0 | 0 | 112 | R558 V560 R567 Y748 | R558-N562 VanDerWaalsContact O-CB 3.32Å; R558-N562 WeakPolarHBondContact O-CB 3.37Å; R558-N562 PolarHBondContact O-N 3.41Å; V560-N562 VanDerWaalsContact C-N 3.27Å; V560-N562 PolarHBondContact O-N 2.81Å; N562-R567 VanDerWaalsContact O-CZ 3.24Å; N562-R567 PolarHBondContact O-NH1 3.06Å; N562-R567 PolarHBondContact O-NH2 3.46Å; N562-R567 PolarHBondContact OD1-NH2 3.5Å; N562-R567 VanDerWaalsContact OD1-NH2 3.13Å; N562-Y748 VanDerWaalsContact CA-OH 3.29Å; N562-Y748 WeakPolarHBondContact CA-OH 3.34Å; N562-Y748 WeakPolarHBondContact CB-OH 3.27Å; N562-Y748 PolarHBondContact OD1-OH 2.99Å |
| 563 | D | 94.1 | Very high | 96.1 | Very high | 94 Ų | 94 | 30.1 Ų | 30.1 | 50% | 0.503 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -97.5 | -16.4 | -174.4 | -60.3 | -15.1 | 0 | 0 | 0 | 113.1 | V560 L561 F595 K601 | V560-D563 PolarHBondContact O-N 3.21Å; L561-D563 PolarHBondContact O-N 3.28Å; D563-F595 VanDerWaalsContact O-CE1 3.24Å; D563-F595 WeakPolarHBondContact O-CE1 3.47Å; D563-K601 PolarHBondContact O-NZ 3.18Å |
| 564 | T | 95.7 | Very high | 96.1 | Very high | 79 Ų | 79 | 32 Ų | 32 | 49% | 0.485 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -116.2 | -26.4 | -173 | 60 | 0 | 0 | 0 | 0 | 114.9 | V560 L561 P566 F595 | V560-T564 HydrophobicContact CG1-CG2 4.22Å; V560-T564 WeakPolarHBondContact O-CB 3.22Å; V560-T564 WeakPolarHBondContact O-CG2 3.44Å; V560-T564 PolarHBondContact O-N 2.97Å; V560-T564 VanDerWaalsContact O-N 3.15Å; V560-T564 PolarHBondContact O-OG1 2.97Å; L561-T564 PolarHBondContact O-N 2.7Å; T564-P566 WeakPolarHBondContact O-CD 3.49Å; T564-F595 WeakPolarHBondContact O-CZ 3.26Å |
| 565 | A | 97.1 | Very high | 96.2 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.008 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -88.5 | 120 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | L561 R567 F595 K740 Y748 | L561-A565 HydrophobicContact CB-CB 4.24Å; L561-A565 HydrophobicContact CD2-CB 4.29Å; L561-A565 WeakPolarHBondContact O-CB 3.27Å; L561-A565 PolarHBondContact O-N 3.25Å; A565-R567 PolarHBondContact O-NH1 3.43Å; A565-F595 WeakPolarHBondContact O-CE1 3.23Å; A565-K740 HydrophobicContact CB-CB 4.25Å; A565-Y748 HydrophobicContact CB-CD1 4.19Å; A565-Y748 HydrophobicContact CB-CE1 4.38Å |
| 566 | P | 97.1 | Very high | 96.3 | Very high | 36 Ų | 36 | 34.9 Ų | 34.9 | 23% | 0.234 | 18% | 0.18 | C | C | . | . | P | Polyproline II helix | trans | -63.4 | 153.7 | 172 | 26.3 | -35.7 | 0 | 0 | 0 | 111.6 | T564 N594 F595 K740 F741 Q742 | T564-P566 WeakPolarHBondContact O-CD 3.49Å; P566-N594 CarbonylContact C-O 3.15Å; P566-N594 WeakPolarHBondContact CA-O 3.36Å; P566-N594 HydrophobicContact CB-CB 4.32Å; P566-F595 HydrophobicContact CB-CE2 4.2Å; P566-F595 HydrophobicContact CB-CZ 4.32Å; P566-K740 WeakPolarHBondContact CD-O 3.41Å; P566-F741 HydrophobicContact CG-CD1 3.78Å; P566-F741 HydrophobicContact CG-CE1 3.8Å; P566-F741 CarbonylContact O-C 3.54Å; P566-F741 WeakPolarHBondContact O-CA 3.27Å; P566-Q742 PolarHBondContact O-N 3.07Å |
| 567 | R | 96.7 | Very high | 96.5 | Very high | 11 Ų | 11 | 34.7 Ų | 34.7 | 4% | 0.042 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 139.4 | 179.8 | -78.8 | 58.9 | 178.1 | -175 | -0.4 | 109.3 | N562 A565 N594 P596 H604 Q742 E744 | N562-R567 VanDerWaalsContact O-CZ 3.24Å; N562-R567 PolarHBondContact O-NH1 3.06Å; N562-R567 PolarHBondContact O-NH2 3.46Å; N562-R567 PolarHBondContact OD1-NH2 3.5Å; N562-R567 VanDerWaalsContact OD1-NH2 3.13Å; A565-R567 PolarHBondContact O-NH1 3.43Å; R567-N594 WeakPolarHBondContact CD-O 3.46Å; R567-N594 PolarHBondContact N-O 3.42Å; R567-P596 HydrophobicContact CG-CG 4.12Å; R567-H604 PolarHBondContact O-CE1 2.6Å; R567-Q742 WeakPolarHBondContact CA-O 3.27Å; R567-Q742 HydrophobicContact CG-CB 4.14Å; R567-Q742 VanDerWaalsContact CZ-OE1 3.26Å; R567-E744 HydrophobicContact CB-CG 4.31Å; R567-E744 HydrophobicContact CG-CG 4.44Å |
| 568 | A | 97.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 152.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | D729 V732 F741 Q742 F743 E744 | A568-D729 WeakPolarHBondContact CA-OD2 3.17Å; A568-V732 HydrophobicContact CB-CG1 3.89Å; A568-F741 HydrophobicContact CB-CD1 4.35Å; A568-Q742 PolarHBondContact N-O 2.86Å; A568-F743 HydrophobicContact CB-CD1 4.29Å; A568-F743 HydrophobicContact CB-CE1 4.39Å; A568-F743 WeakPolarHBondContact O-CA 3.38Å; A568-E744 PolarHBondContact O-N 2.92Å |
| 569 | M | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | trans | -92.1 | 130.4 | 172.8 | -64.7 | -174 | -68 | 0 | 0 | 109.6 | V592 V606 R639 H679 W680 V681 D729 E744 | M569-V592 HydrophobicContact CE-CG2 4.4Å; M569-V606 HydrophobicContact CE-CB 4.45Å; M569-V606 HydrophobicContact CE-CG1 4.02Å; M569-V606 HydrophobicContact CE-CG2 4.39Å; M569-R639 HydrophobicContact SD-CB 4.5Å; M569-H679 HydrophobicContact CB-CB 4.46Å; M569-H679 HydrophobicContact CG-CB 4.17Å; M569-H679 HydrophobicContact SD-CB 4.3Å; M569-W680 VanDerWaalsContact CB-O 3.28Å; M569-W680 WeakPolarHBondContact CB-O 3.36Å; M569-W680 HydrophobicContact CE-CD2 4.41Å; M569-W680 HydrophobicContact CE-CZ2 3.93Å; M569-W680 WeakPolarHBondContact CE-O 2.95Å; M569-W680 VanDerWaalsContact SD-O 3.37Å; M569-V681 HydrophobicContact CB-CG1 4.08Å; M569-V681 VanDerWaalsContact O-CG1 3.29Å; M569-V681 WeakPolarHBondContact O-CG1 3.24Å; M569-D729 PolarHBondContact N-OD2 3.39Å; M569-D729 PolarHBondContact O-N 3.15Å; M569-E744 HydrophobicContact CG-CG 4.47Å | ||
| 570 | A | 97.6 | Very high | 96.6 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.008 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 149.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110 | H679 L727 V728 F743 L746 | A570-H679 PolarHBondContact O-CD2 3.06Å; A570-H679 PolarHBondContact O-NE2 2.7Å; A570-L727 CarbonylContact C-O 3.56Å; A570-L727 VanDerWaalsContact CA-O 3.27Å; A570-L727 WeakPolarHBondContact CA-O 3.48Å; A570-V728 HydrophobicContact CB-CB 4.11Å; A570-V728 HydrophobicContact CB-CG2 3.94Å; A570-F743 HydrophobicContact CB-CB 4.14Å; A570-F743 HydrophobicContact CB-CD1 3.94Å; A570-F743 HydrophobicContact CB-CD2 3.48Å; A570-F743 VanDerWaalsContact CB-CD2 3.48Å; A570-F743 HydrophobicContact CB-CE1 4.16Å; A570-F743 HydrophobicContact CB-CE2 3.74Å; A570-F743 HydrophobicContact CB-CG 3.6Å; A570-F743 HydrophobicContact CB-CZ 4.07Å; A570-L746 VanDerWaalsContact O-CD1 3.28Å; A570-L746 WeakPolarHBondContact O-CD1 3.37Å |
| 571 | V | 97.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 118.3 | 178.9 | 177 | 0 | 0 | 0 | 0 | 108.3 | I614 E615 V681 L727 | V571-I614 VanDerWaalsContact CG1-C 3.45Å; V571-I614 VanDerWaalsContact CG1-O 3.29Å; V571-I614 WeakPolarHBondContact CG1-O 3.33Å; V571-E615 VanDerWaalsContact CA-OE1 3.27Å; V571-E615 WeakPolarHBondContact CA-OE1 2.91Å; V571-E615 HydrophobicContact CG1-CG 4.29Å; V571-V681 HydrophobicContact CB-CG2 4.33Å; V571-V681 HydrophobicContact CG2-CG1 4.37Å; V571-V681 HydrophobicContact CG2-CG2 3.95Å; V571-L727 PolarHBondContact N-O 3.23Å; V571-L727 PolarHBondContact O-N 3.33Å |
| 572 | L | 96.4 | Very high | 96.4 | Very high | 21 Ų | 21 | 38.2 Ų | 38.2 | 11% | 0.11 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -83.1 | -51.1 | -178.3 | -54.2 | -172.4 | 0 | 0 | 0 | 111 | E615 V689 L691 V723 A726 L746 | L572-E615 PolarHBondContact N-OE1 3.03Å; L572-V689 HydrophobicContact CD2-CB 4Å; L572-V689 HydrophobicContact CD2-CG1 3.86Å; L572-V689 HydrophobicContact CD2-CG2 3.8Å; L572-L691 HydrophobicContact CD1-CD1 4.08Å; L572-L691 HydrophobicContact CD1-CD2 4.04Å; L572-V723 HydrophobicContact CB-CG1 4.46Å; L572-V723 WeakPolarHBondContact O-CG1 3.46Å; L572-A726 HydrophobicContact CD2-CB 4.05Å; L572-L746 HydrophobicContact CD1-CD1 4.3Å; L572-L746 HydrophobicContact CD2-CD1 4.29Å; L572-L746 HydrophobicContact CG-CD1 3.86Å |
| 573 | E | 93.9 | Very high | 96 | Very high | 96 Ų | 96 | 38 Ų | 38 | 45% | 0.449 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -104.9 | 87.1 | 176.3 | -69.5 | -175.9 | -164.2 | 0 | 0 | 109.5 | L575 E615 R616 | E573-L575 PolarHBondContact O-N 2.77Å; E573-E615 PolarHBondContact N-OE2 3.2Å; E573-E615 VanDerWaalsContact N-OE2 3.12Å; E573-R616 HydrophobicContact CB-CB 4Å; E573-R616 WeakPolarHBondContact O-CB 3.44Å; E573-R616 PolarHBondContact O-N 3.21Å |
| 574 | S | 94.9 | Very high | 95.7 | Very high | 41 Ų | 41 | 35.3 Ų | 35.3 | 29% | 0.287 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 136.1 | -172.5 | 75.9 | 0 | 0 | 0 | 0 | 114.1 | R616 | S574-R616 PolarHBondContact O-NH2 3.42Å; S574-R616 VanDerWaalsContact O-NH2 3.16Å |
| 575 | L | 96 | Very high | 95.2 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 122.8 | 165.4 | 178.8 | 60.5 | 0 | 0 | 0 | 108.9 | E573 F613 I614 R616 F619 V658 L661 | E573-L575 PolarHBondContact O-N 2.77Å; L575-F613 WeakPolarHBondContact O-CA 3.48Å; L575-I614 HydrophobicContact CB-CG1 4.32Å; L575-I614 PolarHBondContact N-O 3.13Å; L575-I614 PolarHBondContact O-N 3.25Å; L575-R616 HydrophobicContact CB-CB 4.44Å; L575-F619 HydrophobicContact CD2-CB 3.7Å; L575-F619 HydrophobicContact CD2-CD1 3.94Å; L575-F619 HydrophobicContact CD2-CG 4.06Å; L575-V658 HydrophobicContact CD1-CG1 4.03Å; L575-L661 HydrophobicContact CD2-CD1 3.65Å; L575-L661 HydrophobicContact CD2-CD2 4.44Å; L575-L661 HydrophobicContact CD2-CG 3.91Å; L575-L661 HydrophobicContact CG-CD1 4.38Å; L575-L661 HydrophobicContact CG-CG 4.28Å |
| 576 | R | 97.8 | Very high | 94.8 | Very high | 113 Ų | 113 | 45 Ų | 45 | 43% | 0.426 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 132.2 | -178.3 | -175.2 | 178.5 | 175 | -172.3 | -2.3 | 110.6 | I611 F613 S660 L661 | R576-I611 HydrophobicContact CG-CG2 4.06Å; R576-F613 HydrophobicContact CB-CD1 4.04Å; R576-F613 HydrophobicContact CB-CE1 3.81Å; R576-F613 HydrophobicContact CG-CD1 4.41Å; R576-F613 HydrophobicContact CG-CE1 3.9Å; R576-F613 HydrophobicContact CG-CZ 4.4Å; R576-S660 CarbonylContact O-C 3.39Å; R576-S660 WeakPolarHBondContact O-CA 3.44Å; R576-S660 WeakPolarHBondContact O-CB 3.43Å; R576-L661 PolarHBondContact O-N 3.01Å |
| 577 | V | 98 | Very high | 94.4 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 131.3 | 179.2 | -178.5 | 0 | 0 | 0 | 0 | 109.6 | I611 V612 I614 I645 L661 V663 | V577-I611 WeakPolarHBondContact O-CA 3.42Å; V577-V612 HydrophobicContact CB-CG2 3.81Å; V577-V612 HydrophobicContact CG1-CG2 4.16Å; V577-V612 PolarHBondContact N-O 2.89Å; V577-V612 PolarHBondContact O-N 3.44Å; V577-V612 VanDerWaalsContact O-O 3.12Å; V577-I614 HydrophobicContact CG2-CD1 3.8Å; V577-I614 HydrophobicContact CG2-CG1 3.74Å; V577-I614 HydrophobicContact CG2-CG2 4.38Å; V577-I645 HydrophobicContact CG1-CD1 4.4Å; V577-L661 CarbonylContact C-O 3.54Å; V577-L661 WeakPolarHBondContact CA-O 3.43Å; V577-L661 HydrophobicContact CG2-CB 4.26Å; V577-L661 HydrophobicContact CG2-CD1 4.24Å; V577-V663 HydrophobicContact CG1-CB 4.25Å; V577-V663 HydrophobicContact CG1-CG1 3.71Å; V577-V663 HydrophobicContact CG1-CG2 3.47Å; V577-V663 VanDerWaalsContact CG1-CG2 3.47Å |
| 578 | I | 97.9 | Very high | 94.3 | Very high | 44 Ų | 44 | 48 Ų | 48 | 23% | 0.226 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 118 | -178.6 | -55.9 | 171.4 | 0 | 0 | 0 | 108.5 | L661 E662 V663 | I578-L661 PolarHBondContact N-O 2.69Å; I578-E662 HydrophobicContact CB-CG 4.4Å; I578-E662 WeakPolarHBondContact O-CA 3.28Å; I578-V663 PolarHBondContact O-N 3.16Å |
| 579 | I | 97.3 | Very high | 94.1 | Very high | 6 Ų | 6 | 53 Ų | 53 | 3% | 0.031 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 109.6 | 177 | -55.9 | 173.4 | 0 | 0 | 0 | 108.5 | F582 F608 P610 V612 V663 C665 | I579-F582 HydrophobicContact CB-CB 4.49Å; I579-F582 HydrophobicContact CB-CD2 4.28Å; I579-F582 HydrophobicContact CD1-CD2 4.09Å; I579-F582 HydrophobicContact CD1-CE2 4.47Å; I579-F582 HydrophobicContact CG2-CB 4.19Å; I579-F582 HydrophobicContact CG2-CD2 4.25Å; I579-F608 HydrophobicContact CD1-CE2 3.68Å; I579-F608 HydrophobicContact CD1-CZ 3.67Å; I579-P610 PolarHBondContact N-O 3.39Å; I579-V612 HydrophobicContact CD1-CG1 4.42Å; I579-V663 WeakPolarHBondContact CA-O 3.43Å; I579-V663 HydrophobicContact CB-CG2 4.42Å; I579-V663 HydrophobicContact CG1-CG2 3.83Å; I579-C665 HydrophobicContact CG2-CB 3.76Å; I579-C665 VanDerWaalsContact CG2-SG 3.53Å |
| 580 | T | 96.2 | Very high | 94 | Very high | 84 Ų | 84 | 54 Ų | 54 | 52% | 0.515 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -27.1 | -172.4 | 56.7 | 0 | 0 | 0 | 0 | 113.5 | E662 V663 | T580-E662 HydrophobicContact CG2-CB 4.1Å; T580-E662 HydrophobicContact CG2-CG 4.47Å; T580-V663 PolarHBondContact N-O 3.05Å; T580-V663 PolarHBondContact OG1-O 3.34Å |
| 581 | N | 95.3 | Very high | 93.9 | Very high | 75 Ų | 75 | 59.7 Ų | 59.7 | 40% | 0.401 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.7 | 44.1 | 178.9 | 72.9 | -32.8 | 0 | 0 | 0 | 112.1 | T664 C665 | N581-T664 WeakPolarHBondContact OD1-CA 3.46Å; N581-C665 PolarHBondContact ND2-O 3.34Å; N581-C665 PolarHBondContact OD1-N 3.34Å |
| 582 | F | 94.5 | Very high | 93.8 | Very high | 31 Ų | 31 | 59.7 Ų | 59.7 | 14% | 0.136 | 33% | 0.327 | C | S | . | . | trans | -56.5 | 134.8 | -176.2 | -169.4 | -100 | 0 | 0 | 0 | 111.5 | I579 A584 F608 A609 P610 | I579-F582 HydrophobicContact CB-CB 4.49Å; I579-F582 HydrophobicContact CB-CD2 4.28Å; I579-F582 HydrophobicContact CD1-CD2 4.09Å; I579-F582 HydrophobicContact CD1-CE2 4.47Å; I579-F582 HydrophobicContact CG2-CB 4.19Å; I579-F582 HydrophobicContact CG2-CD2 4.25Å; F582-A584 VanDerWaalsContact C-N 3.28Å; F582-A584 HydrophobicContact CD1-CB 4.49Å; F582-A584 WeakPolarHBondContact CD1-O 3.43Å; F582-A584 HydrophobicContact CE1-CB 4.04Å; F582-A584 PolarHBondContact O-N 3.1Å; F582-F608 HydrophobicContact CD2-CE1 4.4Å; F582-F608 HydrophobicContact CD2-CZ 4.39Å; F582-F608 AromaticContact CE2-CD1 3.73Å; F582-F608 HydrophobicContact CE2-CD1 3.73Å; F582-F608 HydrophobicContact CE2-CD2 4.35Å; F582-F608 AromaticContact CE2-CE1 3.5Å; F582-F608 HydrophobicContact CE2-CE1 3.5Å; F582-F608 VanDerWaalsContact CE2-CE1 3.5Å; F582-F608 HydrophobicContact CE2-CE2 4.15Å; F582-F608 HydrophobicContact CE2-CG 4.15Å; F582-F608 AromaticContact CE2-CZ 3.73Å; F582-F608 HydrophobicContact CE2-CZ 3.73Å; F582-F608 AromaticContact CZ-CD1 3.92Å; F582-F608 HydrophobicContact CZ-CD1 3.92Å; F582-F608 HydrophobicContact CZ-CE1 4.08Å; F582-F608 HydrophobicContact CZ-CG 4.39Å; F582-F608 VanDerWaalsContact CZ-O 3.31Å; F582-F608 WeakPolarHBondContact CZ-O 3.49Å; F582-A609 VanDerWaalsContact CE2-C 3.46Å; F582-P610 HydrophobicContact CB-CB 4.12Å; F582-P610 HydrophobicContact CB-CG 4.02Å; F582-P610 HydrophobicContact CD1-CG 3.76Å; F582-P610 HydrophobicContact CD2-CB 4.32Å; F582-P610 HydrophobicContact CD2-CG 4.23Å; F582-P610 HydrophobicContact CE1-CG 4.33Å; F582-P610 HydrophobicContact CG-CB 4.1Å; F582-P610 HydrophobicContact CG-CG 3.73Å | ||
| 583 | P | 86.5 | Confident | 93.8 | Very high | 64 Ų | 64 | 59.4 Ų | 59.4 | 42% | 0.416 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -76.5 | -8 | -163.8 | 30 | -37.6 | 0 | 0 | 0 | 115 | L588 Y643 | P583-L588 HydrophobicContact CG-CD1 4.45Å; P583-Y643 HydrophobicContact CB-CE1 4.2Å; P583-Y643 HydrophobicContact CG-CE1 3.8Å |
| 584 | A | 87.2 | Confident | 93.8 | Very high | 37 Ų | 37 | 56.5 Ų | 56.5 | 31% | 0.306 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -136.4 | 158.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | F582 K586 L588 | F582-A584 VanDerWaalsContact C-N 3.28Å; F582-A584 HydrophobicContact CD1-CB 4.49Å; F582-A584 WeakPolarHBondContact CD1-O 3.43Å; F582-A584 HydrophobicContact CE1-CB 4.04Å; F582-A584 PolarHBondContact O-N 3.1Å; A584-K586 VanDerWaalsContact C-N 3.33Å; A584-K586 WeakPolarHBondContact CB-O 3.33Å; A584-L588 HydrophobicContact CB-CD1 4.39Å; A584-L588 HydrophobicContact CB-CD2 3.93Å; A584-L588 HydrophobicContact CB-CG 4.17Å |
| 585 | A | 85.1 | Confident | 93.7 | Very high | 111 Ų | 111 | 55.7 Ų | 55.7 | 92% | 0.917 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -76.9 | -19.3 | 177 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 586 | K | 89.1 | Confident | 93.5 | Very high | 174 Ų | 174 | 59 Ų | 59 | 76% | 0.757 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -131.1 | 167 | -179.5 | -66.3 | -175.5 | 179.5 | -179.1 | 0 | 110 | A584 | A584-K586 VanDerWaalsContact C-N 3.33Å; A584-K586 WeakPolarHBondContact CB-O 3.33Å |
| 587 | S | 90 | Very high | 93.1 | Very high | 52 Ų | 52 | 58.2 Ų | 58.2 | 36% | 0.364 | 35% | 0.345 | S | S | . | . | trans | -59.7 | 145 | 172.4 | 51.8 | 0 | 0 | 0 | 0 | 111.4 | F608 | S587-F608 CarbonylContact C-O 3.52Å; S587-F608 WeakPolarHBondContact CA-O 3.37Å; S587-F608 WeakPolarHBondContact CB-O 3.32Å | ||
| 588 | L | 93.1 | Very high | 92.7 | Very high | 57 Ų | 57 | 61 Ų | 61 | 30% | 0.298 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 136.2 | 175.5 | -61.5 | 174.3 | 0 | 0 | 0 | 109.1 | P583 A584 I590 P607 F608 | P583-L588 HydrophobicContact CG-CD1 4.45Å; A584-L588 HydrophobicContact CB-CD1 4.39Å; A584-L588 HydrophobicContact CB-CD2 3.93Å; A584-L588 HydrophobicContact CB-CG 4.17Å; L588-I590 HydrophobicContact CB-CD1 4.27Å; L588-I590 PolarHBondContact O-N 2.59Å; L588-P607 CarbonylContact O-C 3.57Å; L588-F608 HydrophobicContact CB-CB 4.41Å; L588-F608 HydrophobicContact CD1-CD1 4.23Å; L588-F608 PolarHBondContact N-O 3.2Å; L588-F608 PolarHBondContact O-N 2.97Å |
| 589 | D | 93.9 | Very high | 92.4 | Very high | 106 Ų | 106 | 64.5 Ų | 64.5 | 57% | 0.567 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 113.2 | 173.8 | -64 | -38 | 0 | 0 | 0 | 109.3 | ||
| 590 | I | 95.4 | Very high | 92.2 | Very high | 20 Ų | 20 | 70.3 Ų | 70.3 | 10% | 0.103 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 125.3 | 180 | -54.6 | -56.8 | 0 | 0 | 0 | 108.5 | L588 V592 Q605 V606 F608 H640 T641 W680 | L588-I590 HydrophobicContact CB-CD1 4.27Å; L588-I590 PolarHBondContact O-N 2.59Å; I590-V592 HydrophobicContact CG2-CG2 4.36Å; I590-Q605 WeakPolarHBondContact O-CA 3.27Å; I590-V606 WeakPolarHBondContact CB-O 3.32Å; I590-V606 PolarHBondContact N-O 2.92Å; I590-V606 PolarHBondContact O-N 2.77Å; I590-F608 HydrophobicContact CD1-CB 4.11Å; I590-F608 HydrophobicContact CD1-CD1 4.47Å; I590-F608 HydrophobicContact CG1-CB 3.56Å; I590-F608 HydrophobicContact CG1-CG 4.38Å; I590-H640 HydrophobicContact CG2-CB 3.82Å; I590-H640 WeakPolarHBondContact CG2-O 3.22Å; I590-T641 HydrophobicContact CG1-CG2 4.31Å; I590-W680 HydrophobicContact CG1-CH2 4.36Å; I590-W680 HydrophobicContact CG1-CZ2 4.4Å |
| 591 | Q | 95.4 | Very high | 91.9 | Very high | 120 Ų | 120 | 70.8 Ų | 70.8 | 56% | 0.561 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 121.3 | 176.3 | -168.1 | 174.2 | -1.9 | 0 | 0 | 109.5 | F603 | Q591-F603 HydrophobicContact CG-CB 3.6Å; Q591-F603 HydrophobicContact CG-CD1 3.66Å; Q591-F603 HydrophobicContact CG-CG 3.8Å |
| 592 | V | 95.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 126.8 | -178.6 | 179.3 | 0 | 0 | 0 | 0 | 108.7 | M569 I590 F603 H604 V606 H640 | M569-V592 HydrophobicContact CE-CG2 4.4Å; I590-V592 HydrophobicContact CG2-CG2 4.36Å; V592-F603 CarbonylContact O-C 3.57Å; V592-F603 VanDerWaalsContact O-CA 3.26Å; V592-F603 WeakPolarHBondContact O-CA 3.48Å; V592-F603 WeakPolarHBondContact O-CB 3.12Å; V592-H604 WeakPolarHBondContact CB-NE2 3.45Å; V592-H604 VanDerWaalsContact CG1-CE1 3.45Å; V592-H604 WeakPolarHBondContact CG1-CE1 3.18Å; V592-H604 WeakPolarHBondContact CG1-NE2 3.31Å; V592-H604 PolarHBondContact N-O 3.14Å; V592-H604 PolarHBondContact O-N 2.91Å; V592-H604 PolarHBondContact O-ND1 3.1Å; V592-V606 HydrophobicContact CB-CG2 4.45Å; V592-V606 HydrophobicContact CG2-CB 4.28Å; V592-V606 HydrophobicContact CG2-CG2 3.8Å; V592-H640 HydrophobicContact CG2-CB 3.96Å |
| 593 | P | 95.6 | Very high | 91.9 | Very high | 16 Ų | 16 | 70.9 Ų | 70.9 | 10% | 0.104 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 134.8 | 177.2 | 26.3 | -32.8 | 0 | 0 | 0 | 110.7 | F595 E599 F603 | P593-F595 VanDerWaalsContact C-N 3.26Å; P593-F595 PolarHBondContact O-N 2.6Å; P593-E599 HydrophobicContact CB-CG 4.29Å; P593-F603 VanDerWaalsContact CA-CD1 3.44Å; P593-F603 HydrophobicContact CB-CD1 3.9Å; P593-F603 HydrophobicContact CB-CE1 3.78Å |
| 594 | N | 94.2 | Very high | 92.3 | Very high | 35 Ų | 35 | 69 Ų | 69 | 19% | 0.187 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -64.3 | -35.4 | 175.7 | -68.8 | -22.1 | 0 | 0 | 0 | 111.4 | P566 R567 K601 G602 H604 | P566-N594 CarbonylContact C-O 3.15Å; P566-N594 WeakPolarHBondContact CA-O 3.36Å; P566-N594 HydrophobicContact CB-CB 4.32Å; R567-N594 WeakPolarHBondContact CD-O 3.46Å; R567-N594 PolarHBondContact N-O 3.42Å; N594-K601 PolarHBondContact ND2-O 3.32Å; N594-K601 VanDerWaalsContact ND2-O 3.13Å; N594-G602 WeakPolarHBondContact CB-O 3.18Å; N594-G602 PolarHBondContact N-O 3.24Å; N594-G602 VanDerWaalsContact ND2-C 3.34Å; N594-G602 PolarHBondContact ND2-O 2.87Å; N594-H604 PolarHBondContact OD1-ND1 2.87Å |
| 595 | F | 94.4 | Very high | 92.7 | Very high | 23 Ų | 23 | 73.2 Ų | 73.2 | 10% | 0.101 | 41% | 0.409 | C | S | . | . | S | Bend | trans | -134.1 | 105.5 | -179.7 | -67 | -96.9 | 0 | 0 | 0 | 109.2 | D563 T564 A565 P566 P593 A597 D598 K601 | D563-F595 VanDerWaalsContact O-CE1 3.24Å; D563-F595 WeakPolarHBondContact O-CE1 3.47Å; T564-F595 WeakPolarHBondContact O-CZ 3.26Å; A565-F595 WeakPolarHBondContact O-CE1 3.23Å; P566-F595 HydrophobicContact CB-CE2 4.2Å; P566-F595 HydrophobicContact CB-CZ 4.32Å; P593-F595 VanDerWaalsContact C-N 3.26Å; P593-F595 PolarHBondContact O-N 2.6Å; F595-A597 PolarHBondContact O-N 3.14Å; F595-A597 VanDerWaalsContact O-N 3.16Å; F595-D598 CarbonylContact O-C 3.51Å; F595-D598 PolarHBondContact O-N 3.27Å; F595-D598 VanDerWaalsContact O-O 3.11Å; F595-K601 HydrophobicContact CB-CB 4.28Å; F595-K601 HydrophobicContact CB-CD 4.18Å; F595-K601 HydrophobicContact CD1-CD 4.07Å; F595-K601 HydrophobicContact CD2-CB 3.4Å; F595-K601 VanDerWaalsContact CD2-CB 3.4Å; F595-K601 HydrophobicContact CD2-CD 3.6Å; F595-K601 HydrophobicContact CD2-CG 4.15Å; F595-K601 HydrophobicContact CE1-CD 4.45Å; F595-K601 HydrophobicContact CE2-CB 4.05Å; F595-K601 HydrophobicContact CE2-CD 3.97Å; F595-K601 HydrophobicContact CG-CB 4.07Å; F595-K601 HydrophobicContact CG-CD 3.67Å; F595-K601 HydrophobicContact CZ-CD 4.4Å |
| 596 | P | 90.4 | Very high | 93.2 | Very high | 70 Ų | 70 | 67.9 Ų | 67.9 | 46% | 0.455 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -25.9 | -176 | -27.3 | 35 | 0 | 0 | 0 | 115.1 | R567 | R567-P596 HydrophobicContact CG-CG 4.12Š|
| 597 | A | 89.9 | Confident | 93.5 | Very high | 97 Ų | 97 | 60.3 Ų | 60.3 | 80% | 0.802 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -16.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | F595 | F595-A597 PolarHBondContact O-N 3.14Å; F595-A597 VanDerWaalsContact O-N 3.16Å |
| 598 | D | 90.3 | Very high | 93.8 | Very high | 58 Ų | 58 | 57.9 Ų | 57.9 | 31% | 0.31 | 32% | 0.317 | S | S | . | . | trans | -150.9 | 89 | -175.2 | -178.8 | 8.3 | 0 | 0 | 0 | 110.6 | F595 T600 K601 | F595-D598 CarbonylContact O-C 3.51Å; F595-D598 PolarHBondContact O-N 3.27Å; F595-D598 VanDerWaalsContact O-O 3.11Å; D598-T600 PolarHBondContact O-N 2.7Å; D598-T600 VanDerWaalsContact OD1-CB 3.31Å; D598-T600 WeakPolarHBondContact OD1-CB 3.15Å; D598-T600 WeakPolarHBondContact OD1-CG2 3.33Å; D598-T600 PolarHBondContact OD1-N 3.04Å; D598-T600 VanDerWaalsContact OD1-N 3.12Å; D598-T600 PolarHBondContact OD1-OG1 3.02Å; D598-T600 PolarHBondContact OD2-OG1 2.67Å; D598-K601 PolarHBondContact O-N 3.49Å; D598-K601 WeakPolarHBondContact OD2-CE 3.19Å | ||
| 599 | E | 91.6 | Very high | 94 | Very high | 119 Ų | 119 | 55.7 Ų | 55.7 | 56% | 0.556 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -66.5 | -12.8 | 180 | -68.5 | -174.2 | -173.2 | 0 | 0 | 113.4 | P593 K601 G602 F603 | P593-E599 HydrophobicContact CB-CG 4.29Å; E599-K601 PolarHBondContact O-N 3.27Å; E599-G602 PolarHBondContact O-N 2.97Å; E599-G602 VanDerWaalsContact O-N 3.16Å; E599-F603 HydrophobicContact CB-CE2 4.35Å; E599-F603 HydrophobicContact CB-CZ 3.77Å; E599-F603 HydrophobicContact CG-CE1 4.38Å; E599-F603 HydrophobicContact CG-CZ 4.05Å |
| 600 | T | 92.3 | Very high | 94 | Very high | 127 Ų | 127 | 53.2 Ų | 53.2 | 78% | 0.779 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | -66.4 | -19.9 | 177.1 | 74.4 | 0 | 0 | 0 | 0 | 112.4 | D598 G602 | D598-T600 PolarHBondContact O-N 2.7Å; D598-T600 VanDerWaalsContact OD1-CB 3.31Å; D598-T600 WeakPolarHBondContact OD1-CB 3.15Å; D598-T600 WeakPolarHBondContact OD1-CG2 3.33Å; D598-T600 PolarHBondContact OD1-N 3.04Å; D598-T600 VanDerWaalsContact OD1-N 3.12Å; D598-T600 PolarHBondContact OD1-OG1 3.02Å; D598-T600 PolarHBondContact OD2-OG1 2.67Å; T600-G602 PolarHBondContact O-N 2.96Å |
| 601 | K | 90.3 | Very high | 94.1 | Very high | 95 Ų | 95 | 55.3 Ų | 55.3 | 41% | 0.413 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -79.3 | 11.9 | 175.5 | -64.8 | -176.9 | 176.8 | 180 | 0 | 114.1 | D563 N594 F595 D598 E599 | D563-K601 PolarHBondContact O-NZ 3.18Å; N594-K601 PolarHBondContact ND2-O 3.32Å; N594-K601 VanDerWaalsContact ND2-O 3.13Å; F595-K601 HydrophobicContact CB-CB 4.28Å; F595-K601 HydrophobicContact CB-CD 4.18Å; F595-K601 HydrophobicContact CD1-CD 4.07Å; F595-K601 HydrophobicContact CD2-CB 3.4Å; F595-K601 VanDerWaalsContact CD2-CB 3.4Å; F595-K601 HydrophobicContact CD2-CD 3.6Å; F595-K601 HydrophobicContact CD2-CG 4.15Å; F595-K601 HydrophobicContact CE1-CD 4.45Å; F595-K601 HydrophobicContact CE2-CB 4.05Å; F595-K601 HydrophobicContact CE2-CD 3.97Å; F595-K601 HydrophobicContact CG-CB 4.07Å; F595-K601 HydrophobicContact CG-CD 3.67Å; F595-K601 HydrophobicContact CZ-CD 4.4Å; D598-K601 PolarHBondContact O-N 3.49Å; D598-K601 WeakPolarHBondContact OD2-CE 3.19Å; E599-K601 PolarHBondContact O-N 3.27Å |
| 602 | G | 93.7 | Very high | 94.2 | Very high | 25 Ų | 25 | 49.6 Ų | 49.6 | 26% | 0.258 | 28% | 0.281 | S | S | . | . | trans | 86.7 | -176.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | N594 E599 T600 | N594-G602 WeakPolarHBondContact CB-O 3.18Å; N594-G602 PolarHBondContact N-O 3.24Å; N594-G602 VanDerWaalsContact ND2-C 3.34Å; N594-G602 PolarHBondContact ND2-O 2.87Å; E599-G602 PolarHBondContact O-N 2.97Å; E599-G602 VanDerWaalsContact O-N 3.16Å; T600-G602 PolarHBondContact O-N 2.96Å | ||
| 603 | F | 95.9 | Very high | 94.3 | Very high | 82 Ų | 82 | 51.6 Ų | 51.6 | 36% | 0.36 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 158.7 | -171.7 | -59.8 | -99.7 | 0 | 0 | 0 | 110.2 | Q591 V592 P593 E599 | Q591-F603 HydrophobicContact CG-CB 3.6Å; Q591-F603 HydrophobicContact CG-CD1 3.66Å; Q591-F603 HydrophobicContact CG-CG 3.8Å; V592-F603 CarbonylContact O-C 3.57Å; V592-F603 VanDerWaalsContact O-CA 3.26Å; V592-F603 WeakPolarHBondContact O-CA 3.48Å; V592-F603 WeakPolarHBondContact O-CB 3.12Å; P593-F603 VanDerWaalsContact CA-CD1 3.44Å; P593-F603 HydrophobicContact CB-CD1 3.9Å; P593-F603 HydrophobicContact CB-CE1 3.78Å; E599-F603 HydrophobicContact CB-CE2 4.35Å; E599-F603 HydrophobicContact CB-CZ 3.77Å; E599-F603 HydrophobicContact CG-CE1 4.38Å; E599-F603 HydrophobicContact CG-CZ 4.05Å |
| 604 | H | 95.4 | Very high | 94.4 | Very high | 24 Ų | 24 | 50.8 Ų | 50.8 | 11% | 0.111 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 160.1 | 167.3 | 59.6 | -83.5 | 0 | 0 | 0 | 110.1 | R567 V592 N594 S731 | R567-H604 PolarHBondContact O-CE1 2.6Å; V592-H604 WeakPolarHBondContact CB-NE2 3.45Å; V592-H604 VanDerWaalsContact CG1-CE1 3.45Å; V592-H604 WeakPolarHBondContact CG1-CE1 3.18Å; V592-H604 WeakPolarHBondContact CG1-NE2 3.31Å; V592-H604 PolarHBondContact N-O 3.14Å; V592-H604 PolarHBondContact O-N 2.91Å; V592-H604 PolarHBondContact O-ND1 3.1Å; N594-H604 PolarHBondContact OD1-ND1 2.87Å; H604-S731 VanDerWaalsContact CD2-CB 3.45Å; H604-S731 WeakPolarHBondContact CD2-CB 3.49Å |
| 605 | Q | 95.1 | Very high | 94.6 | Very high | 126 Ų | 126 | 49.5 Ų | 49.5 | 59% | 0.589 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 135.9 | 178.1 | -69.2 | -177.1 | -16.4 | 0 | 0 | 110.2 | I590 | I590-Q605 WeakPolarHBondContact O-CA 3.27Å |
| 606 | V | 95.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 128.1 | 175.9 | -177.3 | 0 | 0 | 0 | 0 | 108.7 | M569 I590 V592 W680 D729 | M569-V606 HydrophobicContact CE-CB 4.45Å; M569-V606 HydrophobicContact CE-CG1 4.02Å; M569-V606 HydrophobicContact CE-CG2 4.39Å; I590-V606 WeakPolarHBondContact CB-O 3.32Å; I590-V606 PolarHBondContact N-O 2.92Å; I590-V606 PolarHBondContact O-N 2.77Å; V592-V606 HydrophobicContact CB-CG2 4.45Å; V592-V606 HydrophobicContact CG2-CB 4.28Å; V592-V606 HydrophobicContact CG2-CG2 3.8Å; V606-W680 HydrophobicContact CG1-CH2 4.16Å; V606-D729 HydrophobicContact CG1-CB 4.05Å; V606-D729 HydrophobicContact CG2-CB 4.24Å |
| 607 | P | 96 | Very high | 94.8 | Very high | 15 Ų | 15 | 53.2 Ų | 53.2 | 10% | 0.097 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 139.2 | 178.9 | 27.7 | -33.9 | 0 | 0 | 0 | 110.4 | L588 W680 S682 Q683 C730 | L588-P607 CarbonylContact O-C 3.57Å; P607-W680 WeakPolarHBondContact O-CH2 3.06Å; P607-W680 VanDerWaalsContact O-CZ3 3.25Å; P607-W680 WeakPolarHBondContact O-CZ3 3.35Å; P607-S682 VanDerWaalsContact O-CB 3.29Å; P607-S682 WeakPolarHBondContact O-CB 3.49Å; P607-Q683 HydrophobicContact CG-CB 3.97Å; P607-Q683 HydrophobicContact CG-CG 4.46Å; P607-C730 VanDerWaalsContact CD-SG 3.53Å |
| 608 | F | 96.3 | Very high | 95 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 112.1 | 169.6 | 178.2 | -131 | 0 | 0 | 0 | 108.6 | I579 F582 S587 L588 I590 V612 L638 T641 Y643 W680 | I579-F608 HydrophobicContact CD1-CE2 3.68Å; I579-F608 HydrophobicContact CD1-CZ 3.67Å; F582-F608 HydrophobicContact CD2-CE1 4.4Å; F582-F608 HydrophobicContact CD2-CZ 4.39Å; F582-F608 AromaticContact CE2-CD1 3.73Å; F582-F608 HydrophobicContact CE2-CD1 3.73Å; F582-F608 HydrophobicContact CE2-CD2 4.35Å; F582-F608 AromaticContact CE2-CE1 3.5Å; F582-F608 HydrophobicContact CE2-CE1 3.5Å; F582-F608 VanDerWaalsContact CE2-CE1 3.5Å; F582-F608 HydrophobicContact CE2-CE2 4.15Å; F582-F608 HydrophobicContact CE2-CG 4.15Å; F582-F608 AromaticContact CE2-CZ 3.73Å; F582-F608 HydrophobicContact CE2-CZ 3.73Å; F582-F608 AromaticContact CZ-CD1 3.92Å; F582-F608 HydrophobicContact CZ-CD1 3.92Å; F582-F608 HydrophobicContact CZ-CE1 4.08Å; F582-F608 HydrophobicContact CZ-CG 4.39Å; F582-F608 VanDerWaalsContact CZ-O 3.31Å; F582-F608 WeakPolarHBondContact CZ-O 3.49Å; S587-F608 CarbonylContact C-O 3.52Å; S587-F608 WeakPolarHBondContact CA-O 3.37Å; S587-F608 WeakPolarHBondContact CB-O 3.32Å; L588-F608 HydrophobicContact CB-CB 4.41Å; L588-F608 HydrophobicContact CD1-CD1 4.23Å; L588-F608 PolarHBondContact N-O 3.2Å; L588-F608 PolarHBondContact O-N 2.97Å; I590-F608 HydrophobicContact CD1-CB 4.11Å; I590-F608 HydrophobicContact CD1-CD1 4.47Å; I590-F608 HydrophobicContact CG1-CB 3.56Å; I590-F608 HydrophobicContact CG1-CG 4.38Å; F608-V612 HydrophobicContact CD2-CG1 3.98Å; F608-V612 HydrophobicContact CE2-CG1 3.91Å; F608-L638 HydrophobicContact CE2-CD1 3.89Å; F608-L638 HydrophobicContact CZ-CD1 4.35Å; F608-T641 HydrophobicContact CD1-CG2 4.46Å; F608-T641 HydrophobicContact CD2-CG2 4.07Å; F608-T641 HydrophobicContact CE2-CG2 4.26Å; F608-T641 HydrophobicContact CG-CG2 4.19Å; F608-Y643 AromaticContact CE1-CD2 3.83Å; F608-Y643 HydrophobicContact CE1-CD2 3.83Å; F608-Y643 HydrophobicContact CE1-CE2 4.17Å; F608-Y643 HydrophobicContact CE1-CG 4.33Å; F608-Y643 HydrophobicContact CZ-CD2 4.45Å; F608-W680 HydrophobicContact CB-CH2 3.64Å; F608-W680 HydrophobicContact CB-CZ2 4.46Å; F608-W680 HydrophobicContact CB-CZ3 4.11Å; F608-W680 HydrophobicContact CD2-CE3 4.25Å; F608-W680 AromaticContact CD2-CH2 3.82Å; F608-W680 HydrophobicContact CD2-CH2 3.82Å; F608-W680 HydrophobicContact CD2-CZ2 4.35Å; F608-W680 AromaticContact CD2-CZ3 3.75Å; F608-W680 HydrophobicContact CD2-CZ3 3.75Å; F608-W680 HydrophobicContact CG-CH2 4.11Å; F608-W680 HydrophobicContact CG-CZ3 4.4Å |
| 609 | A | 95.8 | Very high | 95.3 | Very high | 11 Ų | 11 | 46.6 Ų | 46.6 | 9% | 0.091 | 24% | 0.24 | C | C | . | . | trans | -123.6 | 171.9 | -178 | 0 | 0 | 0 | 0 | 0 | 110.8 | F582 I611 V612 S682 | F582-A609 VanDerWaalsContact CE2-C 3.46Å; A609-I611 PolarHBondContact O-N 2.83Å; A609-V612 WeakPolarHBondContact O-CG1 3.35Å; A609-S682 VanDerWaalsContact CB-OG 3.32Å; A609-S682 WeakPolarHBondContact CB-OG 3.4Å; A609-S682 PolarHBondContact N-OG 3.33Å | ||
| 610 | P | 95.9 | Very high | 95.4 | Very high | 54 Ų | 54 | 44.5 Ų | 44.5 | 35% | 0.351 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -58.3 | -24.4 | -179.2 | -24.7 | 32.8 | 0 | 0 | 0 | 114.5 | I579 F582 | I579-P610 PolarHBondContact N-O 3.39Å; F582-P610 HydrophobicContact CB-CB 4.12Å; F582-P610 HydrophobicContact CB-CG 4.02Å; F582-P610 HydrophobicContact CD1-CG 3.76Å; F582-P610 HydrophobicContact CD2-CB 4.32Å; F582-P610 HydrophobicContact CD2-CG 4.23Å; F582-P610 HydrophobicContact CE1-CG 4.33Å; F582-P610 HydrophobicContact CG-CB 4.1Å; F582-P610 HydrophobicContact CG-CG 3.73Å |
| 611 | I | 96.9 | Very high | 95.4 | Very high | 64 Ų | 64 | 41.7 Ų | 41.7 | 33% | 0.328 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 120.5 | 176.3 | -58 | 168.6 | 0 | 0 | 0 | 108.1 | R576 V577 A609 F613 S682 | R576-I611 HydrophobicContact CG-CG2 4.06Å; V577-I611 WeakPolarHBondContact O-CA 3.42Å; A609-I611 PolarHBondContact O-N 2.83Å; I611-F613 HydrophobicContact CG2-CE2 4.23Å; I611-F613 HydrophobicContact CG2-CZ 4.28Å; I611-S682 PolarHBondContact O-OG 2.81Å |
| 612 | V | 97.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 159.4 | 174 | -55 | 0 | 0 | 0 | 0 | 109.6 | V577 I579 F608 A609 W680 V681 | V577-V612 HydrophobicContact CB-CG2 3.81Å; V577-V612 HydrophobicContact CG1-CG2 4.16Å; V577-V612 PolarHBondContact N-O 2.89Å; V577-V612 PolarHBondContact O-N 3.44Å; V577-V612 VanDerWaalsContact O-O 3.12Å; I579-V612 HydrophobicContact CD1-CG1 4.42Å; F608-V612 HydrophobicContact CD2-CG1 3.98Å; F608-V612 HydrophobicContact CE2-CG1 3.91Å; A609-V612 WeakPolarHBondContact O-CG1 3.35Å; V612-W680 HydrophobicContact CB-CE3 4.24Å; V612-W680 HydrophobicContact CG1-CE3 3.9Å; V612-W680 HydrophobicContact CG1-CZ3 4.33Å; V612-V681 CarbonylContact C-O 3.59Å; V612-V681 WeakPolarHBondContact CA-O 3.3Å |
| 613 | F | 98.3 | Very high | 95.2 | Very high | 42 Ų | 42 | 47.3 Ų | 47.3 | 18% | 0.184 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 138.5 | 173.4 | -58.1 | -93.8 | 0 | 0 | 0 | 108.8 | L575 R576 I611 W680 V681 P684 L727 | L575-F613 WeakPolarHBondContact O-CA 3.48Å; R576-F613 HydrophobicContact CB-CD1 4.04Å; R576-F613 HydrophobicContact CB-CE1 3.81Å; R576-F613 HydrophobicContact CG-CD1 4.41Å; R576-F613 HydrophobicContact CG-CE1 3.9Å; R576-F613 HydrophobicContact CG-CZ 4.4Å; I611-F613 HydrophobicContact CG2-CE2 4.23Å; I611-F613 HydrophobicContact CG2-CZ 4.28Å; F613-W680 CarbonylContact O-C 3.5Å; F613-W680 VanDerWaalsContact O-CA 3.28Å; F613-W680 WeakPolarHBondContact O-CA 3.26Å; F613-V681 HydrophobicContact CB-CG2 3.86Å; F613-V681 HydrophobicContact CD2-CG2 4.5Å; F613-V681 PolarHBondContact N-O 3.26Å; F613-V681 PolarHBondContact O-N 3.06Å; F613-P684 HydrophobicContact CD2-CG 4.02Å; F613-P684 HydrophobicContact CE2-CG 4.12Å; F613-L727 HydrophobicContact CB-CD1 3.89Å; F613-L727 HydrophobicContact CD1-CD1 3.68Å; F613-L727 HydrophobicContact CD2-CD1 3.89Å; F613-L727 HydrophobicContact CE1-CD1 4.14Å; F613-L727 HydrophobicContact CE2-CD1 4.34Å; F613-L727 HydrophobicContact CG-CD1 3.54Å; F613-L727 HydrophobicContact CZ-CD1 4.45Å |
| 614 | I | 97.9 | Very high | 95 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 167.3 | 176.2 | 65.5 | 172.9 | 0 | 0 | 0 | 109.2 | V571 L575 V577 R616 L630 L638 I678 W680 | V571-I614 VanDerWaalsContact CG1-C 3.45Å; V571-I614 VanDerWaalsContact CG1-O 3.29Å; V571-I614 WeakPolarHBondContact CG1-O 3.33Å; L575-I614 HydrophobicContact CB-CG1 4.32Å; L575-I614 PolarHBondContact N-O 3.13Å; L575-I614 PolarHBondContact O-N 3.25Å; V577-I614 HydrophobicContact CG2-CD1 3.8Å; V577-I614 HydrophobicContact CG2-CG1 3.74Å; V577-I614 HydrophobicContact CG2-CG2 4.38Å; I614-R616 PolarHBondContact O-N 2.9Å; I614-L630 HydrophobicContact CD1-CD2 4.29Å; I614-L638 HydrophobicContact CG2-CD2 4.49Å; I614-I678 HydrophobicContact CB-CD1 4.11Å; I614-I678 HydrophobicContact CD1-CD1 4.07Å; I614-I678 HydrophobicContact CG2-CD1 3.86Å; I614-W680 HydrophobicContact CG2-CB 4.11Å |
| 615 | E | 96.8 | Very high | 94.7 | Very high | 8 Ų | 8 | 53 Ų | 53 | 4% | 0.037 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 136.3 | 171.1 | -70.6 | -69.6 | 171.9 | 0 | 0 | 111 | V571 L572 E573 T617 D618 H679 | V571-E615 VanDerWaalsContact CA-OE1 3.27Å; V571-E615 WeakPolarHBondContact CA-OE1 2.91Å; V571-E615 HydrophobicContact CG1-CG 4.29Å; L572-E615 PolarHBondContact N-OE1 3.03Å; E573-E615 PolarHBondContact N-OE2 3.2Å; E573-E615 VanDerWaalsContact N-OE2 3.12Å; E615-T617 PolarHBondContact O-N 3.5Å; E615-D618 HydrophobicContact CB-CB 4.33Å; E615-D618 WeakPolarHBondContact O-CB 3.27Å; E615-D618 PolarHBondContact O-N 3.44Å; E615-H679 VanDerWaalsContact CG-CE1 3.42Å; E615-H679 WeakPolarHBondContact CG-CE1 3.24Å; E615-H679 VanDerWaalsContact CG-NE2 3.27Å; E615-H679 WeakPolarHBondContact CG-NE2 3.03Å; E615-H679 IonicContact OE1-NE2 3.82Å |
| 616 | R | 94.8 | Very high | 94.4 | Very high | 96 Ų | 96 | 50.2 Ų | 50.2 | 36% | 0.362 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -56.6 | -33.9 | 172.4 | -174.2 | 170 | -66.8 | -83.7 | -6.3 | 111.6 | E573 S574 L575 I614 D618 F619 V658 | E573-R616 HydrophobicContact CB-CB 4Å; E573-R616 WeakPolarHBondContact O-CB 3.44Å; E573-R616 PolarHBondContact O-N 3.21Å; S574-R616 PolarHBondContact O-NH2 3.42Å; S574-R616 VanDerWaalsContact O-NH2 3.16Å; L575-R616 HydrophobicContact CB-CB 4.44Å; I614-R616 PolarHBondContact O-N 2.9Å; R616-D618 PolarHBondContact O-N 2.92Å; R616-F619 PolarHBondContact O-N 3Å; R616-V658 PolarHBondContact NH1-O 3.15Å |
| 617 | T | 94.3 | Very high | 94.2 | Very high | 75 Ų | 75 | 50.6 Ų | 50.6 | 46% | 0.46 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -73.6 | -6.9 | 177.4 | 62.7 | 0 | 0 | 0 | 0 | 114.4 | E615 R629 | E615-T617 PolarHBondContact O-N 3.5Å; T617-R629 PolarHBondContact O-NH2 2.79Å |
| 618 | D | 95.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -93.5 | 1.4 | 174.1 | -73.7 | -34.4 | 0 | 0 | 0 | 113.5 | E615 R616 R629 L630 I678 R745 | E615-D618 HydrophobicContact CB-CB 4.33Å; E615-D618 WeakPolarHBondContact O-CB 3.27Å; E615-D618 PolarHBondContact O-N 3.44Å; R616-D618 PolarHBondContact O-N 2.92Å; D618-R629 HydrophobicContact CB-CB 4.16Å; D618-R629 HydrophobicContact CB-CG 4.41Å; D618-R629 WeakPolarHBondContact O-CB 3.32Å; D618-R629 WeakPolarHBondContact OD1-CG 3.32Å; D618-R629 IonicContact OD1-CZ 3.53Å; D618-R629 IonicContact OD1-NE 2.92Å; D618-R629 PolarHBondContact OD1-NE 3.03Å; D618-R629 VanDerWaalsContact OD1-NE 3.09Å; D618-R629 IonicContact OD1-NH2 2.72Å; D618-L630 WeakPolarHBondContact O-CB 3.21Å; D618-L630 PolarHBondContact O-N 3.37Å; D618-I678 HydrophobicContact CB-CD1 4.14Å; D618-I678 HydrophobicContact CB-CG2 4.17Å; D618-R745 IonicContact OD1-CZ 3.04Å; D618-R745 IonicContact OD1-NH1 3.67Å; D618-R745 IonicContact OD1-NH2 3.47Å; D618-R745 PolarHBondContact OD1-NH2 3.02Å; D618-R745 IonicContact OD2-CZ 2.88Å; D618-R745 IonicContact OD2-NH1 2.67Å; D618-R745 PolarHBondContact OD2-NH1 2.79Å; D618-R745 IonicContact OD2-NH2 3.52Å; D618-R745 PolarHBondContact OD2-NH2 2.71Å |
| 619 | F | 96.3 | Very high | 94 | Very high | 16 Ų | 16 | 59 Ų | 59 | 7% | 0.07 | 31% | 0.313 | C | S | . | . | B | Isolated β-bridge | trans | -121.9 | 134.9 | 171 | 172 | -107.2 | 0 | 0 | 0 | 111.6 | L575 R616 E621 L630 L647 V650 V658 L661 | L575-F619 HydrophobicContact CD2-CB 3.7Å; L575-F619 HydrophobicContact CD2-CD1 3.94Å; L575-F619 HydrophobicContact CD2-CG 4.06Å; R616-F619 PolarHBondContact O-N 3Å; F619-E621 HydrophobicContact CE1-CG 3.9Å; F619-E621 HydrophobicContact CZ-CG 3.65Å; F619-L630 WeakPolarHBondContact CA-O 3.49Å; F619-L630 HydrophobicContact CD2-CB 4.4Å; F619-L630 HydrophobicContact CD2-CD2 4.3Å; F619-L630 HydrophobicContact CD2-CG 4.16Å; F619-L630 WeakPolarHBondContact CD2-O 3.46Å; F619-L647 HydrophobicContact CE2-CD1 4.32Å; F619-L647 HydrophobicContact CE2-CD2 3.64Å; F619-L647 HydrophobicContact CZ-CD2 4.3Å; F619-V650 HydrophobicContact CE1-CG1 4.41Å; F619-V650 HydrophobicContact CE2-CG2 4.36Å; F619-V650 HydrophobicContact CZ-CG1 4.31Å; F619-V650 HydrophobicContact CZ-CG2 3.68Å; F619-V658 HydrophobicContact CD1-CG1 4.32Å; F619-V658 HydrophobicContact CE1-CG1 3.99Å; F619-V658 HydrophobicContact CE1-CG2 4.09Å; F619-L661 HydrophobicContact CB-CD1 3.97Å; F619-L661 HydrophobicContact CD1-CD1 4.16Å; F619-L661 HydrophobicContact CD1-CD2 4Å; F619-L661 HydrophobicContact CD2-CD1 3.66Å; F619-L661 HydrophobicContact CD2-CD2 4.24Å; F619-L661 HydrophobicContact CE1-CD2 3.78Å; F619-L661 HydrophobicContact CE2-CD1 4.23Å; F619-L661 HydrophobicContact CE2-CD2 4.05Å; F619-L661 HydrophobicContact CG-CD1 3.62Å; F619-L661 HydrophobicContact CG-CD2 4.22Å; F619-L661 HydrophobicContact CZ-CD2 3.8Å |
| 620 | K | 93.7 | Very high | 94.1 | Very high | 74 Ų | 74 | 58.5 Ų | 58.5 | 32% | 0.322 | 31% | 0.309 | S | S | . | . | trans | -140.4 | 137.1 | 168.4 | -73.5 | -169.4 | 167.9 | -175.5 | 0 | 110.7 | E624 F627 L630 A631 | K620-E624 VanDerWaalsContact CD-OE2 3.27Å; K620-E624 WeakPolarHBondContact CD-OE2 3.49Å; K620-E624 IonicContact NZ-OE1 2.72Å; K620-E624 PolarHBondContact NZ-OE1 3.24Å; K620-E624 IonicContact NZ-OE2 3.78Å; K620-E624 PolarHBondContact NZ-OE2 3.36Å; K620-F627 HydrophobicContact CB-CE1 4.15Å; K620-F627 HydrophobicContact CB-CZ 4.1Å; K620-F627 HydrophobicContact CD-CD2 4.05Å; K620-F627 HydrophobicContact CD-CE2 3.97Å; K620-F627 HydrophobicContact CD-CZ 4.37Å; K620-F627 HydrophobicContact CG-CE1 4.46Å; K620-F627 HydrophobicContact CG-CE2 3.98Å; K620-F627 HydrophobicContact CG-CZ 3.94Å; K620-L630 PolarHBondContact N-O 2.88Å; K620-A631 WeakPolarHBondContact O-CA 3.41Å; K620-A631 VanDerWaalsContact O-CB 3.3Å; K620-A631 WeakPolarHBondContact O-CB 3.34Å | ||
| 621 | E | 90.8 | Very high | 94 | Very high | 69 Ų | 69 | 56 Ų | 56 | 32% | 0.322 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -69.7 | -45.2 | 171.5 | -72.1 | -176.7 | -128.2 | 0 | 0 | 110.9 | F619 P623 K652 V658 | F619-E621 HydrophobicContact CE1-CG 3.9Å; F619-E621 HydrophobicContact CZ-CG 3.65Å; E621-P623 WeakPolarHBondContact O-CD 3.44Å; E621-K652 WeakPolarHBondContact OE1-CE 3.21Å; E621-K652 IonicContact OE1-NZ 3.57Å; E621-K652 PolarHBondContact OE1-NZ 2.65Å; E621-K652 WeakPolarHBondContact OE2-CE 3.42Å; E621-K652 IonicContact OE2-NZ 2.73Å; E621-K652 PolarHBondContact OE2-NZ 2.99Å; E621-V658 WeakPolarHBondContact OE1-CG2 3.29Å |
| 622 | E | 90 | Very high | 93.9 | Very high | 175 Ų | 175 | 59 Ų | 59 | 82% | 0.818 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -115.4 | 96.8 | 177 | -65.8 | -177.1 | 178.1 | 0 | 0 | 109.2 | ||
| 623 | P | 90.7 | Very high | 93.6 | Very high | 62 Ų | 62 | 62.3 Ų | 62.3 | 40% | 0.403 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -78.5 | 129.5 | -177.2 | 29.7 | -33.6 | 0 | 0 | 0 | 111.8 | E621 F627 A631 | E621-P623 WeakPolarHBondContact O-CD 3.44Å; P623-F627 HydrophobicContact CB-CB 3.89Å; P623-F627 HydrophobicContact CB-CD1 3.7Å; P623-F627 HydrophobicContact CB-CG 4.08Å; P623-A631 HydrophobicContact CB-CB 4.21Å; P623-A631 HydrophobicContact CG-CB 3.91Å |
| 624 | E | 91.7 | Very high | 93.4 | Very high | 89 Ų | 89 | 61.3 Ų | 61.3 | 42% | 0.416 | 33% | 0.33 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 157.1 | 167.8 | 62.3 | -83.9 | -176.2 | 0 | 0 | 112.7 | K620 G626 F627 | K620-E624 VanDerWaalsContact CD-OE2 3.27Å; K620-E624 WeakPolarHBondContact CD-OE2 3.49Å; K620-E624 IonicContact NZ-OE1 2.72Å; K620-E624 PolarHBondContact NZ-OE1 3.24Å; K620-E624 IonicContact NZ-OE2 3.78Å; K620-E624 PolarHBondContact NZ-OE2 3.36Å; E624-G626 PolarHBondContact O-N 3.3Å; E624-G626 VanDerWaalsContact O-N 3.15Å; E624-F627 WeakPolarHBondContact O-CB 3.32Å; E624-F627 PolarHBondContact O-N 3.31Å |
| 625 | P | 88.9 | Confident | 93.2 | Very high | 137 Ų | 137 | 62.7 Ų | 62.7 | 89% | 0.89 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | 122.3 | 173.8 | -25.8 | 34.6 | 0 | 0 | 0 | 111.6 | ||
| 626 | G | 88.5 | Confident | 93.2 | Very high | 67 Ų | 67 | 62.3 Ų | 62.3 | 69% | 0.691 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 100.1 | -6.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | E624 K628 | E624-G626 PolarHBondContact O-N 3.3Å; E624-G626 VanDerWaalsContact O-N 3.15Å; G626-K628 PolarHBondContact O-N 2.89Å |
| 627 | F | 92.1 | Very high | 93.3 | Very high | 8 Ų | 8 | 57.8 Ų | 57.8 | 4% | 0.035 | 32% | 0.32 | C | S | . | . | trans | -70.6 | 119.8 | 171.7 | -173.1 | -96.6 | 0 | 0 | 0 | 111.2 | K620 P623 E624 R629 A631 Q634 | K620-F627 HydrophobicContact CB-CE1 4.15Å; K620-F627 HydrophobicContact CB-CZ 4.1Å; K620-F627 HydrophobicContact CD-CD2 4.05Å; K620-F627 HydrophobicContact CD-CE2 3.97Å; K620-F627 HydrophobicContact CD-CZ 4.37Å; K620-F627 HydrophobicContact CG-CE1 4.46Å; K620-F627 HydrophobicContact CG-CE2 3.98Å; K620-F627 HydrophobicContact CG-CZ 3.94Å; P623-F627 HydrophobicContact CB-CB 3.89Å; P623-F627 HydrophobicContact CB-CD1 3.7Å; P623-F627 HydrophobicContact CB-CG 4.08Å; E624-F627 WeakPolarHBondContact O-CB 3.32Å; E624-F627 PolarHBondContact O-N 3.31Å; F627-R629 HydrophobicContact CE1-CB 3.87Å; F627-R629 HydrophobicContact CE2-CB 4.27Å; F627-R629 HydrophobicContact CZ-CB 3.67Å; F627-A631 HydrophobicContact CE1-CB 4.47Å; F627-Q634 PolarHBondContact O-NE2 3.38Å | ||
| 628 | K | 93.2 | Very high | 93.4 | Very high | 121 Ų | 121 | 54.2 Ų | 54.2 | 53% | 0.526 | 30% | 0.298 | S | S | . | . | trans | -108.3 | 1.3 | -173.7 | -61 | -179.8 | -176.1 | 179.5 | 0 | 114.9 | G626 Q634 K675 A676 | G626-K628 PolarHBondContact O-N 2.89Å; K628-Q634 VanDerWaalsContact C-NE2 3.34Å; K628-K675 HydrophobicContact CB-CB 4.1Å; K628-K675 HydrophobicContact CG-CB 4.5Å; K628-A676 HydrophobicContact CB-CB 4.03Å; K628-A676 WeakPolarHBondContact O-CB 3.4Å | ||
| 629 | R | 95.3 | Very high | 93.4 | Very high | 71 Ų | 71 | 58.2 Ų | 58.2 | 27% | 0.268 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -97 | -159.7 | -174.3 | -55.3 | 92.7 | 92.8 | -174.4 | 1.1 | 110.7 | T617 D618 F627 A631 Q634 I678 | T617-R629 PolarHBondContact O-NH2 2.79Å; D618-R629 HydrophobicContact CB-CB 4.16Å; D618-R629 HydrophobicContact CB-CG 4.41Å; D618-R629 WeakPolarHBondContact O-CB 3.32Å; D618-R629 WeakPolarHBondContact OD1-CG 3.32Å; D618-R629 IonicContact OD1-CZ 3.53Å; D618-R629 IonicContact OD1-NE 2.92Å; D618-R629 PolarHBondContact OD1-NE 3.03Å; D618-R629 VanDerWaalsContact OD1-NE 3.09Å; D618-R629 IonicContact OD1-NH2 2.72Å; F627-R629 HydrophobicContact CE1-CB 3.87Å; F627-R629 HydrophobicContact CE2-CB 4.27Å; F627-R629 HydrophobicContact CZ-CB 3.67Å; R629-A631 PolarHBondContact O-N 2.8Å; R629-Q634 PolarHBondContact O-NE2 3Å; R629-I678 HydrophobicContact CB-CG2 4.28Å; R629-I678 HydrophobicContact CG-CG2 3.82Å |
| 630 | L | 96.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 33% | 0.325 | C | S | . | . | B | Isolated β-bridge | trans | -70.8 | 124.3 | -169.3 | -172.5 | 62.7 | 0 | 0 | 0 | 111.7 | I614 D618 F619 K620 V636 I645 L647 L661 V663 | I614-L630 HydrophobicContact CD1-CD2 4.29Å; D618-L630 WeakPolarHBondContact O-CB 3.21Å; D618-L630 PolarHBondContact O-N 3.37Å; F619-L630 WeakPolarHBondContact CA-O 3.49Å; F619-L630 HydrophobicContact CD2-CB 4.4Å; F619-L630 HydrophobicContact CD2-CD2 4.3Å; F619-L630 HydrophobicContact CD2-CG 4.16Å; F619-L630 WeakPolarHBondContact CD2-O 3.46Å; K620-L630 PolarHBondContact N-O 2.88Å; L630-V636 HydrophobicContact CB-CB 4.46Å; L630-V636 HydrophobicContact CB-CG1 3.92Å; L630-V636 HydrophobicContact CD1-CG1 4.18Å; L630-I645 HydrophobicContact CD2-CD1 4.23Å; L630-L647 HydrophobicContact CD1-CB 4.21Å; L630-L661 HydrophobicContact CD2-CD1 3.64Å; L630-V663 HydrophobicContact CD2-CG1 4.32Å |
| 631 | A | 95.2 | Very high | 93.3 | Very high | 1 Ų | 1 | 57.8 Ų | 57.8 | 1% | 0.008 | 31% | 0.313 | C | S | . | . | B | Isolated β-bridge | trans | -151.6 | 174 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | K620 P623 F627 R629 G633 Q634 | K620-A631 WeakPolarHBondContact O-CA 3.41Å; K620-A631 VanDerWaalsContact O-CB 3.3Å; K620-A631 WeakPolarHBondContact O-CB 3.34Å; P623-A631 HydrophobicContact CB-CB 4.21Å; P623-A631 HydrophobicContact CG-CB 3.91Å; F627-A631 HydrophobicContact CE1-CB 4.47Å; R629-A631 PolarHBondContact O-N 2.8Å; A631-G633 PolarHBondContact O-N 2.59Å; A631-Q634 HydrophobicContact CB-CB 4.17Å; A631-Q634 PolarHBondContact N-O 3.04Å; A631-Q634 PolarHBondContact O-N 3.09Å |
| 632 | W | 93.7 | Very high | 93.4 | Very high | 129 Ų | 129 | 56.4 Ų | 56.4 | 49% | 0.489 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | 126.9 | 173.9 | -73.1 | 110.5 | 0 | 0 | 0 | 111.3 | Q634 L647 Q648 V650 | W632-Q634 PolarHBondContact O-N 2.95Å; W632-L647 HydrophobicContact CD2-CD2 3.55Å; W632-L647 HydrophobicContact CD2-CG 4.35Å; W632-L647 HydrophobicContact CE3-CD2 3.84Å; W632-L647 HydrophobicContact CE3-CG 4.16Å; W632-L647 HydrophobicContact CG-CD2 3.94Å; W632-L647 HydrophobicContact CH2-CD2 4.34Å; W632-L647 HydrophobicContact CH2-CG 4.32Å; W632-L647 HydrophobicContact CZ2-CD2 4.07Å; W632-L647 HydrophobicContact CZ2-CG 4.49Å; W632-L647 HydrophobicContact CZ3-CD2 4.22Å; W632-L647 HydrophobicContact CZ3-CG 4.14Å; W632-Q648 WeakPolarHBondContact CH2-O 3.47Å; W632-Q648 WeakPolarHBondContact CZ3-O 3.42Å; W632-V650 HydrophobicContact CZ2-CB 4.44Å; W632-V650 HydrophobicContact CZ2-CG2 3.63Å |
| 633 | G | 90.7 | Very high | 93.6 | Very high | 69 Ų | 69 | 50 Ų | 50 | 71% | 0.711 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.3 | 9.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115 | A631 | A631-G633 PolarHBondContact O-N 2.59Š|
| 634 | Q | 94.3 | Very high | 93.9 | Very high | 21 Ų | 21 | 47.1 Ų | 47.1 | 10% | 0.098 | 27% | 0.267 | C | S | . | . | B | Isolated β-bridge | trans | -125.7 | 94.6 | 179.3 | -173.3 | 166.7 | -87.9 | 0 | 0 | 111 | F627 K628 R629 A631 W632 K675 | F627-Q634 PolarHBondContact O-NE2 3.38Å; K628-Q634 VanDerWaalsContact C-NE2 3.34Å; R629-Q634 PolarHBondContact O-NE2 3Å; A631-Q634 HydrophobicContact CB-CB 4.17Å; A631-Q634 PolarHBondContact N-O 3.04Å; A631-Q634 PolarHBondContact O-N 3.09Å; W632-Q634 PolarHBondContact O-N 2.95Å; Q634-K675 HydrophobicContact CG-CD 4.48Å |
| 635 | P | 94.8 | Very high | 94.1 | Very high | 29 Ų | 29 | 42.9 Ų | 42.9 | 19% | 0.188 | 25% | 0.247 | C | C | . | . | trans | -73.5 | 156.3 | 178.7 | 30.2 | -35.2 | 0 | 0 | 0 | 112.5 | V644 I645 E646 | P635-V644 HydrophobicContact CB-CG1 3.77Å; P635-I645 VanDerWaalsContact CA-O 3.26Å; P635-I645 WeakPolarHBondContact CA-O 3.32Å; P635-I645 WeakPolarHBondContact CB-O 3.46Å; P635-E646 HydrophobicContact CB-CB 4.16Å; P635-E646 HydrophobicContact CB-CG 4.41Å | ||
| 636 | V | 96.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 143.9 | -179.8 | 76.3 | 0 | 0 | 0 | 0 | 111.3 | L630 V644 I645 A676 I678 | L630-V636 HydrophobicContact CB-CB 4.46Å; L630-V636 HydrophobicContact CB-CG1 3.92Å; L630-V636 HydrophobicContact CD1-CG1 4.18Å; V636-V644 WeakPolarHBondContact O-CA 3.39Å; V636-I645 HydrophobicContact CG1-CD1 3.99Å; V636-I645 HydrophobicContact CG1-CG1 3.65Å; V636-I645 PolarHBondContact N-O 3.1Å; V636-I645 WeakPolarHBondContact O-CG1 3.2Å; V636-I645 PolarHBondContact O-N 3.05Å; V636-A676 HydrophobicContact CG2-CB 4.44Å; V636-A676 WeakPolarHBondContact CG2-O 3.31Å; V636-I678 HydrophobicContact CG1-CD1 3.72Å; V636-I678 HydrophobicContact CG1-CG1 4.07Å; V636-I678 HydrophobicContact CG2-CB 4.4Å; V636-I678 HydrophobicContact CG2-CD1 4.28Å; V636-I678 HydrophobicContact CG2-CG1 4Å; V636-I678 HydrophobicContact CG2-CG2 3.73Å |
| 637 | G | 96.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 143.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A676 F677 I678 | G637-A676 PolarHBondContact N-O 3.41Å; G637-F677 CarbonylContact O-C 3.59Å; G637-F677 VanDerWaalsContact O-CA 3.26Å; G637-F677 WeakPolarHBondContact O-CA 3.33Å; G637-I678 PolarHBondContact O-N 3.01Å |
| 638 | L | 96.6 | Very high | 95 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 120.2 | 169.2 | -65.2 | -175.5 | 0 | 0 | 0 | 109.2 | F608 I614 T641 Y643 I645 I678 W680 | F608-L638 HydrophobicContact CE2-CD1 3.89Å; F608-L638 HydrophobicContact CZ-CD1 4.35Å; I614-L638 HydrophobicContact CG2-CD2 4.49Å; L638-T641 HydrophobicContact CB-CG2 4.03Å; L638-T641 WeakPolarHBondContact CB-OG1 3.34Å; L638-T641 PolarHBondContact O-N 2.82Å; L638-T641 PolarHBondContact O-OG1 3.4Å; L638-Y643 PolarHBondContact N-O 3.41Å; L638-I645 HydrophobicContact CD1-CG2 3.84Å; L638-I645 HydrophobicContact CD2-CD1 3.95Å; L638-I645 HydrophobicContact CD2-CG1 4.36Å; L638-I645 HydrophobicContact CG-CD1 4.4Å; L638-I645 HydrophobicContact CG-CG1 4.41Å; L638-I645 HydrophobicContact CG-CG2 4.11Å; L638-I678 HydrophobicContact CD2-CD1 4.36Å; L638-I678 HydrophobicContact CD2-CG1 4.08Å; L638-W680 HydrophobicContact CB-CG 4.33Å; L638-W680 HydrophobicContact CD2-CB 4.07Å; L638-W680 HydrophobicContact CD2-CG 4.11Å |
| 639 | R | 95.2 | Very high | 95.1 | Very high | 85 Ų | 85 | 42.1 Ų | 42.1 | 32% | 0.321 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | 142 | -177.2 | -77 | -177.7 | 169.4 | -117.6 | -9.1 | 112.2 | M569 T641 F677 I678 W680 E744 | M569-R639 HydrophobicContact SD-CB 4.5Å; R639-T641 PolarHBondContact O-N 3.06Å; R639-F677 HydrophobicContact CG-CB 3.87Å; R639-F677 PolarHBondContact NE-O 3Å; R639-I678 WeakPolarHBondContact CG-O 3.42Å; R639-I678 PolarHBondContact N-O 3.08Å; R639-W680 PolarHBondContact O-NE1 3.27Å; R639-E744 WeakPolarHBondContact CD-OE2 3.37Å; R639-E744 IonicContact CZ-OE2 2.76Å; R639-E744 IonicContact NE-OE2 3.62Å; R639-E744 IonicContact NH1-OE2 3.6Å; R639-E744 PolarHBondContact NH1-OE2 3.3Å |
| 640 | H | 94.7 | Very high | 95.1 | Very high | 68 Ų | 68 | 40 Ų | 40 | 32% | 0.315 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.4 | -23.3 | 177.6 | -46.2 | -54.6 | 0 | 0 | 0 | 116.9 | I590 V592 G642 E744 | I590-H640 HydrophobicContact CG2-CB 3.82Å; I590-H640 WeakPolarHBondContact CG2-O 3.22Å; V592-H640 HydrophobicContact CG2-CB 3.96Å; H640-G642 PolarHBondContact O-N 3.13Å; H640-E744 IonicContact CD2-OE1 2.63Å; H640-E744 IonicContact CE1-OE1 3.61Å; H640-E744 IonicContact NE2-OE1 3.04Å; H640-E744 PolarHBondContact NE2-OE1 2.9Å; H640-E744 IonicContact NE2-OE2 3.29Å |
| 641 | T | 93 | Very high | 95.1 | Very high | 13 Ų | 13 | 41.8 Ų | 41.8 | 8% | 0.08 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -28.4 | -177 | 64.6 | 0 | 0 | 0 | 0 | 114.2 | I590 F608 L638 R639 Y643 W680 | I590-T641 HydrophobicContact CG1-CG2 4.31Å; F608-T641 HydrophobicContact CD1-CG2 4.46Å; F608-T641 HydrophobicContact CD2-CG2 4.07Å; F608-T641 HydrophobicContact CE2-CG2 4.26Å; F608-T641 HydrophobicContact CG-CG2 4.19Å; L638-T641 HydrophobicContact CB-CG2 4.03Å; L638-T641 WeakPolarHBondContact CB-OG1 3.34Å; L638-T641 PolarHBondContact O-N 2.82Å; L638-T641 PolarHBondContact O-OG1 3.4Å; R639-T641 PolarHBondContact O-N 3.06Å; T641-Y643 VanDerWaalsContact C-N 3.28Å; T641-Y643 WeakPolarHBondContact O-CD2 3.47Å; T641-Y643 PolarHBondContact OG1-N 3.37Å; T641-W680 HydrophobicContact CG2-CD2 4.38Å; T641-W680 HydrophobicContact CG2-CH2 3.97Å; T641-W680 HydrophobicContact CG2-CZ2 3.1Å |
| 642 | G | 93.1 | Very high | 95 | Very high | 40 Ų | 40 | 46.6 Ų | 46.6 | 41% | 0.412 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.4 | 10.2 | -167.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | H640 A668 | H640-G642 PolarHBondContact O-N 3.13Å; G642-A668 VanDerWaalsContact O-CB 3.29Å; G642-A668 WeakPolarHBondContact O-CB 3.31Å; G642-A668 PolarHBondContact O-N 2.88Å |
| 643 | Y | 94.7 | Very high | 94.7 | Very high | 39 Ų | 39 | 41 Ų | 41 | 15% | 0.153 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 152.2 | 179.6 | -68.4 | -90.5 | 0 | 0 | 0 | 113.1 | P583 F608 L638 T641 R666 R667 | P583-Y643 HydrophobicContact CB-CE1 4.2Å; P583-Y643 HydrophobicContact CG-CE1 3.8Å; F608-Y643 AromaticContact CE1-CD2 3.83Å; F608-Y643 HydrophobicContact CE1-CD2 3.83Å; F608-Y643 HydrophobicContact CE1-CE2 4.17Å; F608-Y643 HydrophobicContact CE1-CG 4.33Å; F608-Y643 HydrophobicContact CZ-CD2 4.45Å; L638-Y643 PolarHBondContact N-O 3.41Å; T641-Y643 VanDerWaalsContact C-N 3.28Å; T641-Y643 WeakPolarHBondContact O-CD2 3.47Å; T641-Y643 PolarHBondContact OG1-N 3.37Å; Y643-R666 WeakPolarHBondContact CA-O 3.47Å; Y643-R667 HydrophobicContact CD1-CG 4.33Å; Y643-R667 HydrophobicContact CE1-CG 3.79Å |
| 644 | V | 96.4 | Very high | 94.5 | Very high | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.012 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 132.6 | 174.9 | 179.6 | 0 | 0 | 0 | 0 | 108.1 | P635 V636 C665 R666 A668 P674 | P635-V644 HydrophobicContact CB-CG1 3.77Å; V636-V644 WeakPolarHBondContact O-CA 3.39Å; V644-C665 CarbonylContact O-C 3.59Å; V644-C665 VanDerWaalsContact O-CA 3.25Å; V644-C665 WeakPolarHBondContact O-CA 3.43Å; V644-R666 HydrophobicContact CB-CG 4.28Å; V644-R666 PolarHBondContact N-O 3.48Å; V644-R666 PolarHBondContact O-N 3.34Å; V644-A668 HydrophobicContact CG2-CB 3.83Å; V644-P674 HydrophobicContact CG1-CB 4.11Å; V644-P674 HydrophobicContact CG1-CG 4.39Å; V644-P674 HydrophobicContact CG2-CB 4.45Å; V644-P674 HydrophobicContact CG2-CG 3.84Å |
| 645 | I | 96.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 144.5 | 177.9 | 61.4 | 169.7 | 0 | 0 | 0 | 111.6 | V577 L630 P635 V636 L638 V663 T664 C665 | V577-I645 HydrophobicContact CG1-CD1 4.4Å; L630-I645 HydrophobicContact CD2-CD1 4.23Å; P635-I645 VanDerWaalsContact CA-O 3.26Å; P635-I645 WeakPolarHBondContact CA-O 3.32Å; P635-I645 WeakPolarHBondContact CB-O 3.46Å; V636-I645 HydrophobicContact CG1-CD1 3.99Å; V636-I645 HydrophobicContact CG1-CG1 3.65Å; V636-I645 PolarHBondContact N-O 3.1Å; V636-I645 WeakPolarHBondContact O-CG1 3.2Å; V636-I645 PolarHBondContact O-N 3.05Å; L638-I645 HydrophobicContact CD1-CG2 3.84Å; L638-I645 HydrophobicContact CD2-CD1 3.95Å; L638-I645 HydrophobicContact CD2-CG1 4.36Å; L638-I645 HydrophobicContact CG-CD1 4.4Å; L638-I645 HydrophobicContact CG-CG1 4.41Å; L638-I645 HydrophobicContact CG-CG2 4.11Å; I645-V663 HydrophobicContact CB-CB 4.19Å; I645-V663 HydrophobicContact CB-CG2 3.96Å; I645-V663 HydrophobicContact CD1-CG2 4.49Å; I645-V663 HydrophobicContact CG2-CG2 4.04Å; I645-T664 CarbonylContact C-O 3.57Å; I645-T664 VanDerWaalsContact CA-O 3.26Å; I645-T664 WeakPolarHBondContact CA-O 3.22Å; I645-C665 HydrophobicContact CG2-CB 4.09Å |
| 646 | E | 95.8 | Very high | 93.6 | Very high | 75 Ų | 75 | 48.8 Ų | 48.8 | 35% | 0.35 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 134.1 | 179.7 | -174.1 | 170.8 | -169.9 | 0 | 0 | 110.6 | P635 Q648 V663 T664 | P635-E646 HydrophobicContact CB-CB 4.16Å; P635-E646 HydrophobicContact CB-CG 4.41Å; E646-Q648 PolarHBondContact O-N 3.25Å; E646-V663 CarbonylContact O-C 3.44Å; E646-V663 WeakPolarHBondContact O-CA 3.33Å; E646-V663 VanDerWaalsContact O-CB 3.22Å; E646-V663 WeakPolarHBondContact O-CB 3.3Å; E646-T664 PolarHBondContact N-O 2.98Å; E646-T664 PolarHBondContact O-N 2.89Å |
| 647 | L | 96.6 | Very high | 93.2 | Very high | 8 Ų | 8 | 51.6 Ų | 51.6 | 4% | 0.042 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 128.9 | -174.7 | -174.9 | 67.8 | 0 | 0 | 0 | 111.9 | F619 L630 W632 V650 L661 V663 | F619-L647 HydrophobicContact CE2-CD1 4.32Å; F619-L647 HydrophobicContact CE2-CD2 3.64Å; F619-L647 HydrophobicContact CZ-CD2 4.3Å; L630-L647 HydrophobicContact CD1-CB 4.21Å; W632-L647 HydrophobicContact CD2-CD2 3.55Å; W632-L647 HydrophobicContact CD2-CG 4.35Å; W632-L647 HydrophobicContact CE3-CD2 3.84Å; W632-L647 HydrophobicContact CE3-CG 4.16Å; W632-L647 HydrophobicContact CG-CD2 3.94Å; W632-L647 HydrophobicContact CH2-CD2 4.34Å; W632-L647 HydrophobicContact CH2-CG 4.32Å; W632-L647 HydrophobicContact CZ2-CD2 4.07Å; W632-L647 HydrophobicContact CZ2-CG 4.49Å; W632-L647 HydrophobicContact CZ3-CD2 4.22Å; W632-L647 HydrophobicContact CZ3-CG 4.14Å; L647-V650 HydrophobicContact CD1-CG2 4.12Å; L647-V650 HydrophobicContact CD2-CG2 3.93Å; L647-V650 HydrophobicContact CG-CG2 4.4Å; L647-L661 HydrophobicContact CD1-CB 4.1Å; L647-L661 HydrophobicContact CD1-CD1 4.4Å; L647-L661 HydrophobicContact CD1-CD2 4.07Å; L647-L661 HydrophobicContact CD1-CG 4.43Å; L647-V663 HydrophobicContact CD1-CG1 4.46Å |
| 648 | Q | 95.8 | Very high | 93 | Very high | 99 Ų | 99 | 52.6 Ų | 52.6 | 46% | 0.463 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | -44.5 | 174.2 | -65.8 | -62.8 | -40.9 | 0 | 0 | 111.9 | W632 E646 E662 T664 | W632-Q648 WeakPolarHBondContact CH2-O 3.47Å; W632-Q648 WeakPolarHBondContact CZ3-O 3.42Å; E646-Q648 PolarHBondContact O-N 3.25Å; Q648-E662 WeakPolarHBondContact CB-O 3.34Å; Q648-E662 PolarHBondContact N-O 2.83Å; Q648-T664 HydrophobicContact CG-CG2 3.77Å; Q648-T664 PolarHBondContact NE2-OG1 3.43Å; Q648-T664 VanDerWaalsContact NE2-OG1 3.08Å |
| 649 | R | 95.2 | Very high | 92.8 | Very high | 136 Ų | 136 | 57.5 Ų | 57.5 | 51% | 0.513 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 140 | -175.8 | -165.7 | 168.1 | 70.3 | 138.8 | 2.4 | 111.4 | E662 | R649-E662 HydrophobicContact CB-CB 4.08Å; R649-E662 IonicContact CZ-OE1 2.75Å; R649-E662 IonicContact CZ-OE2 3.51Å; R649-E662 PolarHBondContact N-O 3.16Å; R649-E662 VanDerWaalsContact N-O 3.1Å; R649-E662 IonicContact NE-OE1 2.86Å; R649-E662 IonicContact NE-OE2 3.77Å; R649-E662 PolarHBondContact NE-OE2 3.19Å; R649-E662 VanDerWaalsContact NH2-CD 3.25Å; R649-E662 IonicContact NH2-OE1 3.89Å; R649-E662 PolarHBondContact NH2-OE1 3.22Å; R649-E662 IonicContact NH2-OE2 3.04Å; R649-E662 PolarHBondContact NH2-OE2 3.36Å; R649-E662 PolarHBondContact O-N 2.78Å |
| 650 | V | 95.9 | Very high | 92.8 | Very high | 26 Ų | 26 | 54.3 Ų | 54.3 | 16% | 0.158 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 119.5 | 171.5 | -178.2 | 0 | 0 | 0 | 0 | 107.7 | F619 W632 L647 K652 V658 L661 | F619-V650 HydrophobicContact CE1-CG1 4.41Å; F619-V650 HydrophobicContact CE2-CG2 4.36Å; F619-V650 HydrophobicContact CZ-CG1 4.31Å; F619-V650 HydrophobicContact CZ-CG2 3.68Å; W632-V650 HydrophobicContact CZ2-CB 4.44Å; W632-V650 HydrophobicContact CZ2-CG2 3.63Å; L647-V650 HydrophobicContact CD1-CG2 4.12Å; L647-V650 HydrophobicContact CD2-CG2 3.93Å; L647-V650 HydrophobicContact CG-CG2 4.4Å; V650-K652 HydrophobicContact CG1-CG 4.19Å; V650-V658 HydrophobicContact CG1-CB 4.45Å; V650-V658 HydrophobicContact CG1-CG1 3.81Å; V650-V658 HydrophobicContact CG1-CG2 3.91Å; V650-L661 HydrophobicContact CB-CD2 4.47Å; V650-L661 HydrophobicContact CG1-CD2 4.19Å; V650-L661 HydrophobicContact CG2-CD2 4.17Å |
| 651 | V | 94.6 | Very high | 92.9 | Very high | 37 Ų | 37 | 51 Ų | 51 | 22% | 0.224 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 118.8 | 177 | -175 | 0 | 0 | 0 | 0 | 108.3 | E659 S660 | V651-E659 PolarHBondContact O-N 3.48Å; V651-S660 WeakPolarHBondContact CA-O 3.41Å; V651-S660 WeakPolarHBondContact CB-O 3.15Å; V651-S660 WeakPolarHBondContact CB-OG 3.4Å; V651-S660 PolarHBondContact N-O 3.19Å; V651-S660 PolarHBondContact O-N 3.44Å |
| 652 | K | 93.1 | Very high | 93.1 | Very high | 102 Ų | 102 | 52.5 Ų | 52.5 | 44% | 0.443 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 141.8 | -179.6 | -62.9 | -175 | -179 | -170.4 | 0 | 110.5 | E621 V650 S657 | E621-K652 WeakPolarHBondContact OE1-CE 3.21Å; E621-K652 IonicContact OE1-NZ 3.57Å; E621-K652 PolarHBondContact OE1-NZ 2.65Å; E621-K652 WeakPolarHBondContact OE2-CE 3.42Å; E621-K652 IonicContact OE2-NZ 2.73Å; E621-K652 PolarHBondContact OE2-NZ 2.99Å; V650-K652 HydrophobicContact CG1-CG 4.19Å; K652-S657 WeakPolarHBondContact CA-O 3.33Å |
| 653 | G | 88.7 | Confident | 93.4 | Very high | 11 Ų | 11 | 50.6 Ų | 50.6 | 11% | 0.113 | 28% | 0.28 | C | S | . | . | trans | -77.2 | 178.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | S655 G656 S657 E659 | G653-S655 PolarHBondContact O-N 3.22Å; G653-S655 VanDerWaalsContact O-N 3.14Å; G653-G656 PolarHBondContact O-N 3.14Å; G653-S657 PolarHBondContact N-O 3.37Å; G653-E659 WeakPolarHBondContact CA-OE1 3.43Å | ||
| 654 | P | 86.9 | Confident | 93.4 | Very high | 141 Ų | 141 | 50.3 Ų | 50.3 | 92% | 0.916 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -27.3 | 179.9 | -23.9 | 33.8 | 0 | 0 | 0 | 114.4 | G656 | P654-G656 VanDerWaalsContact C-N 3.32Š|
| 655 | S | 85.4 | Confident | 93.3 | Very high | 98 Ų | 98 | 50.8 Ų | 50.8 | 69% | 0.685 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -1.6 | 177.9 | 55.3 | 0 | 0 | 0 | 0 | 113.9 | G653 S657 | G653-S655 PolarHBondContact O-N 3.22Å; G653-S655 VanDerWaalsContact O-N 3.14Å; S655-S657 VanDerWaalsContact C-N 3.25Å; S655-S657 PolarHBondContact O-N 3.42Å; S655-S657 PolarHBondContact OG-OG 3.13Å |
| 656 | G | 83.7 | Confident | 93.2 | Very high | 45 Ų | 45 | 53.8 Ų | 53.8 | 46% | 0.464 | 30% | 0.297 | S | S | . | . | S | Bend | trans | 79.8 | -1.2 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | G653 P654 | G653-G656 PolarHBondContact O-N 3.14Å; P654-G656 VanDerWaalsContact C-N 3.32Å |
| 657 | S | 87.8 | Confident | 93 | Very high | 59 Ų | 59 | 57.1 Ų | 57.1 | 41% | 0.413 | 31% | 0.306 | S | S | . | . | trans | -73.4 | 143 | 174.3 | 60.8 | 0 | 0 | 0 | 0 | 111.8 | K652 G653 S655 E659 | K652-S657 WeakPolarHBondContact CA-O 3.33Å; G653-S657 PolarHBondContact N-O 3.37Å; S655-S657 VanDerWaalsContact C-N 3.25Å; S655-S657 PolarHBondContact O-N 3.42Å; S655-S657 PolarHBondContact OG-OG 3.13Å; S657-E659 PolarHBondContact O-N 3.44Å | ||
| 658 | V | 92.6 | Very high | 92.6 | Very high | 21 Ų | 21 | 57.9 Ų | 57.9 | 13% | 0.127 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 116.9 | 177.7 | -176.9 | 0 | 0 | 0 | 0 | 110.3 | L575 R616 F619 E621 V650 L661 | L575-V658 HydrophobicContact CD1-CG1 4.03Å; R616-V658 PolarHBondContact NH1-O 3.15Å; F619-V658 HydrophobicContact CD1-CG1 4.32Å; F619-V658 HydrophobicContact CE1-CG1 3.99Å; F619-V658 HydrophobicContact CE1-CG2 4.09Å; E621-V658 WeakPolarHBondContact OE1-CG2 3.29Å; V650-V658 HydrophobicContact CG1-CB 4.45Å; V650-V658 HydrophobicContact CG1-CG1 3.81Å; V650-V658 HydrophobicContact CG1-CG2 3.91Å; V658-L661 HydrophobicContact CG1-CD2 3.75Å |
| 659 | E | 92.7 | Very high | 92.2 | Very high | 103 Ų | 103 | 58.3 Ų | 58.3 | 48% | 0.481 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | -44.5 | -178.9 | -74.1 | -174.2 | 173 | 0 | 0 | 112.1 | V651 G653 S657 | V651-E659 PolarHBondContact O-N 3.48Å; G653-E659 WeakPolarHBondContact CA-OE1 3.43Å; S657-E659 PolarHBondContact O-N 3.44Å |
| 660 | S | 95.9 | Very high | 91.5 | Very high | 17 Ų | 17 | 55.5 Ų | 55.5 | 12% | 0.119 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 158.9 | 178.3 | 62.3 | 0 | 0 | 0 | 0 | 112.7 | R576 V651 | R576-S660 CarbonylContact O-C 3.39Å; R576-S660 WeakPolarHBondContact O-CA 3.44Å; R576-S660 WeakPolarHBondContact O-CB 3.43Å; V651-S660 WeakPolarHBondContact CA-O 3.41Å; V651-S660 WeakPolarHBondContact CB-O 3.15Å; V651-S660 WeakPolarHBondContact CB-OG 3.4Å; V651-S660 PolarHBondContact N-O 3.19Å; V651-S660 PolarHBondContact O-N 3.44Å |
| 661 | L | 97.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 140.2 | 174.9 | -52.3 | 179.6 | 0 | 0 | 0 | 110 | L575 R576 V577 I578 F619 L630 L647 V650 V658 V663 | L575-L661 HydrophobicContact CD2-CD1 3.65Å; L575-L661 HydrophobicContact CD2-CD2 4.44Å; L575-L661 HydrophobicContact CD2-CG 3.91Å; L575-L661 HydrophobicContact CG-CD1 4.38Å; L575-L661 HydrophobicContact CG-CG 4.28Å; R576-L661 PolarHBondContact O-N 3.01Å; V577-L661 CarbonylContact C-O 3.54Å; V577-L661 WeakPolarHBondContact CA-O 3.43Å; V577-L661 HydrophobicContact CG2-CB 4.26Å; V577-L661 HydrophobicContact CG2-CD1 4.24Å; I578-L661 PolarHBondContact N-O 2.69Å; F619-L661 HydrophobicContact CB-CD1 3.97Å; F619-L661 HydrophobicContact CD1-CD1 4.16Å; F619-L661 HydrophobicContact CD1-CD2 4Å; F619-L661 HydrophobicContact CD2-CD1 3.66Å; F619-L661 HydrophobicContact CD2-CD2 4.24Å; F619-L661 HydrophobicContact CE1-CD2 3.78Å; F619-L661 HydrophobicContact CE2-CD1 4.23Å; F619-L661 HydrophobicContact CE2-CD2 4.05Å; F619-L661 HydrophobicContact CG-CD1 3.62Å; F619-L661 HydrophobicContact CG-CD2 4.22Å; F619-L661 HydrophobicContact CZ-CD2 3.8Å; L630-L661 HydrophobicContact CD2-CD1 3.64Å; L647-L661 HydrophobicContact CD1-CB 4.1Å; L647-L661 HydrophobicContact CD1-CD1 4.4Å; L647-L661 HydrophobicContact CD1-CD2 4.07Å; L647-L661 HydrophobicContact CD1-CG 4.43Å; V650-L661 HydrophobicContact CB-CD2 4.47Å; V650-L661 HydrophobicContact CG1-CD2 4.19Å; V650-L661 HydrophobicContact CG2-CD2 4.17Å; V658-L661 HydrophobicContact CG1-CD2 3.75Å; L661-V663 HydrophobicContact CB-CG1 4.39Å |
| 662 | E | 97.6 | Very high | 89.9 | Confident | 43 Ų | 43 | 62.6 Ų | 62.6 | 20% | 0.201 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 129.7 | 164.7 | -65.8 | 175.8 | 174.6 | 0 | 0 | 108.9 | I578 T580 Q648 R649 | I578-E662 HydrophobicContact CB-CG 4.4Å; I578-E662 WeakPolarHBondContact O-CA 3.28Å; T580-E662 HydrophobicContact CG2-CB 4.1Å; T580-E662 HydrophobicContact CG2-CG 4.47Å; Q648-E662 WeakPolarHBondContact CB-O 3.34Å; Q648-E662 PolarHBondContact N-O 2.83Å; R649-E662 HydrophobicContact CB-CB 4.08Å; R649-E662 IonicContact CZ-OE1 2.75Å; R649-E662 IonicContact CZ-OE2 3.51Å; R649-E662 PolarHBondContact N-O 3.16Å; R649-E662 VanDerWaalsContact N-O 3.1Å; R649-E662 IonicContact NE-OE1 2.86Å; R649-E662 IonicContact NE-OE2 3.77Å; R649-E662 PolarHBondContact NE-OE2 3.19Å; R649-E662 VanDerWaalsContact NH2-CD 3.25Å; R649-E662 IonicContact NH2-OE1 3.89Å; R649-E662 PolarHBondContact NH2-OE1 3.22Å; R649-E662 IonicContact NH2-OE2 3.04Å; R649-E662 PolarHBondContact NH2-OE2 3.36Å; R649-E662 PolarHBondContact O-N 2.78Å |
| 663 | V | 97.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 153.7 | -175.2 | -56.5 | 0 | 0 | 0 | 0 | 110 | V577 I578 I579 T580 L630 I645 E646 L647 L661 | V577-V663 HydrophobicContact CG1-CB 4.25Å; V577-V663 HydrophobicContact CG1-CG1 3.71Å; V577-V663 HydrophobicContact CG1-CG2 3.47Å; V577-V663 VanDerWaalsContact CG1-CG2 3.47Å; I578-V663 PolarHBondContact O-N 3.16Å; I579-V663 WeakPolarHBondContact CA-O 3.43Å; I579-V663 HydrophobicContact CB-CG2 4.42Å; I579-V663 HydrophobicContact CG1-CG2 3.83Å; T580-V663 PolarHBondContact N-O 3.05Å; T580-V663 PolarHBondContact OG1-O 3.34Å; L630-V663 HydrophobicContact CD2-CG1 4.32Å; I645-V663 HydrophobicContact CB-CB 4.19Å; I645-V663 HydrophobicContact CB-CG2 3.96Å; I645-V663 HydrophobicContact CD1-CG2 4.49Å; I645-V663 HydrophobicContact CG2-CG2 4.04Å; E646-V663 CarbonylContact O-C 3.44Å; E646-V663 WeakPolarHBondContact O-CA 3.33Å; E646-V663 VanDerWaalsContact O-CB 3.22Å; E646-V663 WeakPolarHBondContact O-CB 3.3Å; L647-V663 HydrophobicContact CD1-CG1 4.46Å; L661-V663 HydrophobicContact CB-CG1 4.39Å |
| 664 | T | 96.1 | Very high | 89.7 | Confident | 34 Ų | 34 | 66.9 Ų | 66.9 | 21% | 0.209 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 154.3 | 160 | 45.8 | 0 | 0 | 0 | 0 | 109.2 | N581 I645 E646 Q648 | N581-T664 WeakPolarHBondContact OD1-CA 3.46Å; I645-T664 CarbonylContact C-O 3.57Å; I645-T664 VanDerWaalsContact CA-O 3.26Å; I645-T664 WeakPolarHBondContact CA-O 3.22Å; E646-T664 PolarHBondContact N-O 2.98Å; E646-T664 PolarHBondContact O-N 2.89Å; Q648-T664 HydrophobicContact CG-CG2 3.77Å; Q648-T664 PolarHBondContact NE2-OG1 3.43Å; Q648-T664 VanDerWaalsContact NE2-OG1 3.08Å |
| 665 | C | 94.4 | Very high | 89.9 | Confident | 11 Ų | 11 | 66.8 Ų | 66.8 | 7% | 0.074 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 151.8 | 172.1 | 76.5 | 0 | 0 | 0 | 0 | 111.2 | I579 N581 V644 I645 | I579-C665 HydrophobicContact CG2-CB 3.76Å; I579-C665 VanDerWaalsContact CG2-SG 3.53Å; N581-C665 PolarHBondContact ND2-O 3.34Å; N581-C665 PolarHBondContact OD1-N 3.34Å; V644-C665 CarbonylContact O-C 3.59Å; V644-C665 VanDerWaalsContact O-CA 3.25Å; V644-C665 WeakPolarHBondContact O-CA 3.43Å; I645-C665 HydrophobicContact CG2-CB 4.09Å |
| 666 | R | 93.4 | Very high | 90.4 | Very high | 64 Ų | 64 | 63.3 Ų | 63.3 | 24% | 0.242 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 159.2 | 169.9 | 61.4 | 176 | 175 | 84.1 | -3.3 | 109.6 | Y643 V644 E672 | Y643-R666 WeakPolarHBondContact CA-O 3.47Å; V644-R666 HydrophobicContact CB-CG 4.28Å; V644-R666 PolarHBondContact N-O 3.48Å; V644-R666 PolarHBondContact O-N 3.34Å; R666-E672 PolarHBondContact NH1-O 2.92Å; R666-E672 PolarHBondContact NH2-O 3.01Å |
| 667 | R | 92 | Very high | 91 | Very high | 144 Ų | 144 | 65.4 Ų | 65.4 | 54% | 0.543 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 144.3 | 171.4 | -65.1 | 178.6 | 53.7 | 133.8 | 0.9 | 110.2 | Y643 D669 A670 | Y643-R667 HydrophobicContact CD1-CG 4.33Å; Y643-R667 HydrophobicContact CE1-CG 3.79Å; R667-D669 WeakPolarHBondContact CB-OD1 3.28Å; R667-D669 IonicContact CZ-OD2 3.44Å; R667-D669 IonicContact NE-OD1 2.82Å; R667-D669 PolarHBondContact NE-OD1 2.84Å; R667-D669 VanDerWaalsContact NE-OD1 3.14Å; R667-D669 IonicContact NE-OD2 3.32Å; R667-D669 PolarHBondContact NE-OD2 3.48Å; R667-D669 IonicContact NH2-OD2 2.78Å; R667-D669 PolarHBondContact NH2-OD2 3.21Å; R667-D669 PolarHBondContact O-N 3.47Å; R667-A670 HydrophobicContact CB-CB 4.32Å; R667-A670 PolarHBondContact O-N 3.09Å |
| 668 | A | 87.9 | Confident | 91.4 | Very high | 24 Ų | 24 | 62.6 Ų | 62.6 | 20% | 0.198 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -22 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | G642 V644 | G642-A668 VanDerWaalsContact O-CB 3.29Å; G642-A668 WeakPolarHBondContact O-CB 3.31Å; G642-A668 PolarHBondContact O-N 2.88Å; V644-A668 HydrophobicContact CG2-CB 3.83Å |
| 669 | D | 87.2 | Confident | 91.6 | Very high | 109 Ų | 109 | 61.6 Ų | 61.6 | 58% | 0.583 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -18.1 | 176.1 | 54.8 | -1.1 | 0 | 0 | 0 | 113.7 | R667 G671 | R667-D669 WeakPolarHBondContact CB-OD1 3.28Å; R667-D669 IonicContact CZ-OD2 3.44Å; R667-D669 IonicContact NE-OD1 2.82Å; R667-D669 PolarHBondContact NE-OD1 2.84Å; R667-D669 VanDerWaalsContact NE-OD1 3.14Å; R667-D669 IonicContact NE-OD2 3.32Å; R667-D669 PolarHBondContact NE-OD2 3.48Å; R667-D669 IonicContact NH2-OD2 2.78Å; R667-D669 PolarHBondContact NH2-OD2 3.21Å; R667-D669 PolarHBondContact O-N 3.47Å; D669-G671 PolarHBondContact O-N 2.93Å |
| 670 | A | 80.1 | Confident | 91.9 | Very high | 77 Ų | 77 | 56.7 Ų | 56.7 | 64% | 0.636 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -89.1 | 11 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | R667 | R667-A670 HydrophobicContact CB-CB 4.32Å; R667-A670 PolarHBondContact O-N 3.09Å |
| 671 | G | 76.9 | Confident | 92 | Very high | 39 Ų | 39 | 55.9 Ų | 55.9 | 40% | 0.402 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -175.6 | -165.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | D669 K673 | D669-G671 PolarHBondContact O-N 2.93Å; G671-K673 PolarHBondContact O-N 3.35Å |
| 672 | E | 80.4 | Confident | 91.9 | Very high | 172 Ų | 172 | 56 Ų | 56 | 80% | 0.804 | 29% | 0.287 | S | S | * | . | P | Polyproline II helix | trans | -58.6 | 137.6 | 179.7 | -69.6 | -171.3 | 166.1 | 0 | 0 | 111.8 | R666 | R666-E672 PolarHBondContact NH1-O 2.92Å; R666-E672 PolarHBondContact NH2-O 3.01Å |
| 673 | K | 86.3 | Confident | 91.8 | Very high | 188 Ų | 188 | 59.3 Ų | 59.3 | 82% | 0.817 | 30% | 0.302 | S | S | * | . | P | Polyproline II helix | trans | -67.3 | 134.4 | 177.9 | -74.4 | -175.6 | 178.2 | 179.8 | 0 | 109.8 | G671 | G671-K673 PolarHBondContact O-N 3.35Š|
| 674 | P | 91.8 | Very high | 91.7 | Very high | 16 Ų | 16 | 60.9 Ų | 60.9 | 10% | 0.104 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -66.9 | 154.2 | 178.2 | 31.6 | -37.3 | 0 | 0 | 0 | 110.7 | V644 A676 F677 | V644-P674 HydrophobicContact CG1-CB 4.11Å; V644-P674 HydrophobicContact CG1-CG 4.39Å; V644-P674 HydrophobicContact CG2-CB 4.45Å; V644-P674 HydrophobicContact CG2-CG 3.84Å; P674-A676 PolarHBondContact O-N 3.4Å; P674-F677 HydrophobicContact CG-CD2 4.4Å; P674-F677 HydrophobicContact CG-CE1 4.24Å; P674-F677 HydrophobicContact CG-CE2 3.8Å; P674-F677 HydrophobicContact CG-CZ 3.7Å |
| 675 | K | 91.4 | Very high | 91.7 | Very high | 139 Ų | 139 | 62 Ų | 62 | 60% | 0.604 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -68.9 | -21.8 | 178.8 | -64.1 | -178.9 | -173 | 169.7 | 0 | 113.3 | K628 Q634 | K628-K675 HydrophobicContact CB-CB 4.1Å; K628-K675 HydrophobicContact CG-CB 4.5Å; Q634-K675 HydrophobicContact CG-CD 4.48Å |
| 676 | A | 94.6 | Very high | 91.8 | Very high | 24 Ų | 24 | 67.9 Ų | 67.9 | 20% | 0.198 | 35% | 0.345 | C | S | . | . | trans | -153.5 | 160.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | K628 V636 G637 P674 | K628-A676 HydrophobicContact CB-CB 4.03Å; K628-A676 WeakPolarHBondContact O-CB 3.4Å; V636-A676 HydrophobicContact CG2-CB 4.44Å; V636-A676 WeakPolarHBondContact CG2-O 3.31Å; G637-A676 PolarHBondContact N-O 3.41Å; P674-A676 PolarHBondContact O-N 3.4Å | ||
| 677 | F | 96.1 | Very high | 91.9 | Very high | 89 Ų | 89 | 65 Ų | 65 | 39% | 0.39 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 124.3 | 169.6 | -72.2 | -98 | 0 | 0 | 0 | 110.1 | G637 R639 P674 | G637-F677 CarbonylContact O-C 3.59Å; G637-F677 VanDerWaalsContact O-CA 3.26Å; G637-F677 WeakPolarHBondContact O-CA 3.33Å; R639-F677 HydrophobicContact CG-CB 3.87Å; R639-F677 PolarHBondContact NE-O 3Å; P674-F677 HydrophobicContact CG-CD2 4.4Å; P674-F677 HydrophobicContact CG-CE1 4.24Å; P674-F677 HydrophobicContact CG-CE2 3.8Å; P674-F677 HydrophobicContact CG-CZ 3.7Å |
| 678 | I | 97.4 | Very high | 92.2 | Very high | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 153.4 | -179.5 | 61.4 | 171.8 | 0 | 0 | 0 | 111 | I614 D618 R629 V636 G637 L638 R639 | I614-I678 HydrophobicContact CB-CD1 4.11Å; I614-I678 HydrophobicContact CD1-CD1 4.07Å; I614-I678 HydrophobicContact CG2-CD1 3.86Å; D618-I678 HydrophobicContact CB-CD1 4.14Å; D618-I678 HydrophobicContact CB-CG2 4.17Å; R629-I678 HydrophobicContact CB-CG2 4.28Å; R629-I678 HydrophobicContact CG-CG2 3.82Å; V636-I678 HydrophobicContact CG1-CD1 3.72Å; V636-I678 HydrophobicContact CG1-CG1 4.07Å; V636-I678 HydrophobicContact CG2-CB 4.4Å; V636-I678 HydrophobicContact CG2-CD1 4.28Å; V636-I678 HydrophobicContact CG2-CG1 4Å; V636-I678 HydrophobicContact CG2-CG2 3.73Å; G637-I678 PolarHBondContact O-N 3.01Å; L638-I678 HydrophobicContact CD2-CD1 4.36Å; L638-I678 HydrophobicContact CD2-CG1 4.08Å; R639-I678 WeakPolarHBondContact CG-O 3.42Å; R639-I678 PolarHBondContact N-O 3.08Å |
| 679 | H | 97.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 30% | 0.304 | C | S | . | . | trans | -76 | 159.6 | 169.3 | 64.2 | -80.7 | 0 | 0 | 0 | 109.9 | M569 A570 E615 E744 R745 | M569-H679 HydrophobicContact CB-CB 4.46Å; M569-H679 HydrophobicContact CG-CB 4.17Å; M569-H679 HydrophobicContact SD-CB 4.3Å; A570-H679 PolarHBondContact O-CD2 3.06Å; A570-H679 PolarHBondContact O-NE2 2.7Å; E615-H679 VanDerWaalsContact CG-CE1 3.42Å; E615-H679 WeakPolarHBondContact CG-CE1 3.24Å; E615-H679 VanDerWaalsContact CG-NE2 3.27Å; E615-H679 WeakPolarHBondContact CG-NE2 3.03Å; E615-H679 IonicContact OE1-NE2 3.82Å; H679-E744 HydrophobicContact CB-CB 4.23Å; H679-E744 PolarHBondContact ND1-O 3.43Å; H679-R745 PolarHBondContact CE1-NH1 3.31Å; H679-R745 PolarHBondContact ND1-NH1 2.89Å | ||
| 680 | W | 97.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.277 | C | S | . | . | trans | -156.8 | 161.1 | -176.4 | 59.6 | -79.6 | 0 | 0 | 0 | 108.7 | M569 I590 V606 P607 F608 V612 F613 I614 L638 R639 T641 | M569-W680 VanDerWaalsContact CB-O 3.28Å; M569-W680 WeakPolarHBondContact CB-O 3.36Å; M569-W680 HydrophobicContact CE-CD2 4.41Å; M569-W680 HydrophobicContact CE-CZ2 3.93Å; M569-W680 WeakPolarHBondContact CE-O 2.95Å; M569-W680 VanDerWaalsContact SD-O 3.37Å; I590-W680 HydrophobicContact CG1-CH2 4.36Å; I590-W680 HydrophobicContact CG1-CZ2 4.4Å; V606-W680 HydrophobicContact CG1-CH2 4.16Å; P607-W680 WeakPolarHBondContact O-CH2 3.06Å; P607-W680 VanDerWaalsContact O-CZ3 3.25Å; P607-W680 WeakPolarHBondContact O-CZ3 3.35Å; F608-W680 HydrophobicContact CB-CH2 3.64Å; F608-W680 HydrophobicContact CB-CZ2 4.46Å; F608-W680 HydrophobicContact CB-CZ3 4.11Å; F608-W680 HydrophobicContact CD2-CE3 4.25Å; F608-W680 AromaticContact CD2-CH2 3.82Å; F608-W680 HydrophobicContact CD2-CH2 3.82Å; F608-W680 HydrophobicContact CD2-CZ2 4.35Å; F608-W680 AromaticContact CD2-CZ3 3.75Å; F608-W680 HydrophobicContact CD2-CZ3 3.75Å; F608-W680 HydrophobicContact CG-CH2 4.11Å; F608-W680 HydrophobicContact CG-CZ3 4.4Å; V612-W680 HydrophobicContact CB-CE3 4.24Å; V612-W680 HydrophobicContact CG1-CE3 3.9Å; V612-W680 HydrophobicContact CG1-CZ3 4.33Å; F613-W680 CarbonylContact O-C 3.5Å; F613-W680 VanDerWaalsContact O-CA 3.28Å; F613-W680 WeakPolarHBondContact O-CA 3.26Å; I614-W680 HydrophobicContact CG2-CB 4.11Å; L638-W680 HydrophobicContact CB-CG 4.33Å; L638-W680 HydrophobicContact CD2-CB 4.07Å; L638-W680 HydrophobicContact CD2-CG 4.11Å; R639-W680 PolarHBondContact O-NE1 3.27Å; T641-W680 HydrophobicContact CG2-CD2 4.38Å; T641-W680 HydrophobicContact CG2-CH2 3.97Å; T641-W680 HydrophobicContact CG2-CZ2 3.1Å | ||
| 681 | V | 97.5 | Very high | 94 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | B | Isolated β-bridge | trans | -134.1 | 144.6 | 171.1 | -63.5 | 0 | 0 | 0 | 0 | 109.9 | M569 V571 V612 F613 P684 L727 D729 | M569-V681 HydrophobicContact CB-CG1 4.08Å; M569-V681 VanDerWaalsContact O-CG1 3.29Å; M569-V681 WeakPolarHBondContact O-CG1 3.24Å; V571-V681 HydrophobicContact CB-CG2 4.33Å; V571-V681 HydrophobicContact CG2-CG1 4.37Å; V571-V681 HydrophobicContact CG2-CG2 3.95Å; V612-V681 CarbonylContact C-O 3.59Å; V612-V681 WeakPolarHBondContact CA-O 3.3Å; F613-V681 HydrophobicContact CB-CG2 3.86Å; F613-V681 HydrophobicContact CD2-CG2 4.5Å; F613-V681 PolarHBondContact N-O 3.26Å; F613-V681 PolarHBondContact O-N 3.06Å; V681-P684 HydrophobicContact CB-CB 4.06Å; V681-P684 HydrophobicContact CG2-CB 3.82Å; V681-P684 HydrophobicContact CG2-CG 4.19Å; V681-L727 HydrophobicContact CG2-CB 3.82Å; V681-D729 HydrophobicContact CG1-CB 4.43Å |
| 682 | S | 96.6 | Very high | 94.9 | Very high | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.007 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -133.3 | 150 | 170.5 | -169.2 | 0 | 0 | 0 | 0 | 108.8 | P607 A609 I611 P684 | P607-S682 VanDerWaalsContact O-CB 3.29Å; P607-S682 WeakPolarHBondContact O-CB 3.49Å; A609-S682 VanDerWaalsContact CB-OG 3.32Å; A609-S682 WeakPolarHBondContact CB-OG 3.4Å; A609-S682 PolarHBondContact N-OG 3.33Å; I611-S682 PolarHBondContact O-OG 2.81Å; S682-P684 VanDerWaalsContact C-CD 3.43Å |
| 683 | Q | 95.1 | Very high | 95.4 | Very high | 114 Ų | 114 | 44.6 Ų | 44.6 | 53% | 0.533 | 21% | 0.214 | S | C | . | . | S | Bend | trans | 42.1 | 49.8 | -169 | -54.2 | 179.8 | 28.8 | 0 | 0 | 112.2 | P607 | P607-Q683 HydrophobicContact CG-CB 3.97Å; P607-Q683 HydrophobicContact CG-CG 4.46Å |
| 684 | P | 95.8 | Very high | 95.7 | Very high | 33 Ų | 33 | 39.8 Ų | 39.8 | 21% | 0.214 | 19% | 0.191 | C | C | . | . | P | Polyproline II helix | trans | -73.6 | 161.5 | -168 | 31.3 | -35.6 | 0 | 0 | 0 | 112.6 | F613 V681 S682 L727 V728 | F613-P684 HydrophobicContact CD2-CG 4.02Å; F613-P684 HydrophobicContact CE2-CG 4.12Å; V681-P684 HydrophobicContact CB-CB 4.06Å; V681-P684 HydrophobicContact CG2-CB 3.82Å; V681-P684 HydrophobicContact CG2-CG 4.19Å; S682-P684 VanDerWaalsContact C-CD 3.43Å; P684-L727 HydrophobicContact CB-CB 3.82Å; P684-L727 HydrophobicContact CB-CD2 4.37Å; P684-L727 HydrophobicContact CG-CB 3.97Å; P684-L727 HydrophobicContact CG-CD1 3.95Å; P684-L727 HydrophobicContact CG-CD2 3.93Å; P684-L727 HydrophobicContact CG-CG 4.16Å; P684-V728 CarbonylContact C-O 3.47Å; P684-V728 WeakPolarHBondContact CA-O 3.49Å; P684-V728 WeakPolarHBondContact CB-O 3.44Å |
| 685 | L | 95.1 | Very high | 95.9 | Very high | 56 Ų | 56 | 39.3 Ų | 39.3 | 29% | 0.293 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 145.1 | 161.8 | -57.2 | 176.4 | 0 | 0 | 0 | 109.5 | L727 V728 V732 A733 L760 | L685-L727 CarbonylContact O-C 3.58Å; L685-L727 WeakPolarHBondContact O-CA 3.4Å; L685-V728 HydrophobicContact CB-CG1 3.98Å; L685-V728 PolarHBondContact N-O 3.42Å; L685-V728 PolarHBondContact O-N 3.24Å; L685-V732 HydrophobicContact CD1-CG2 4.45Å; L685-A733 HydrophobicContact CD1-CB 3.78Å; L685-L760 HydrophobicContact CD1-CD1 4.32Å |
| 686 | M | 96.3 | Very high | 96.1 | Very high | 136 Ų | 136 | 32.9 Ų | 32.9 | 67% | 0.67 | 16% | 0.16 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 135.2 | 174.7 | -174.7 | 172.9 | 52 | 0 | 0 | 110.1 | A725 A726 | M686-A725 HydrophobicContact SD-CB 4.34Å; M686-A726 WeakPolarHBondContact CA-O 3.46Å |
| 687 | C | 96.5 | Very high | 96 | Very high | 4 Ų | 4 | 39.1 Ų | 39.1 | 3% | 0.027 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 158.1 | -179.9 | 63.9 | 0 | 0 | 0 | 0 | 112.8 | A726 V728 L760 F762 | C687-A726 PolarHBondContact N-O 2.82Å; C687-A726 WeakPolarHBondContact O-CB 3.5Å; C687-A726 PolarHBondContact O-N 3.4Å; C687-V728 HydrophobicContact CB-CG1 4.31Å; C687-L760 WeakPolarHBondContact CA-O 3.38Å; C687-L760 HydrophobicContact CB-CB 3.8Å; C687-L760 WeakPolarHBondContact CB-O 3.31Å; C687-F762 HydrophobicContact CB-CD2 4.13Å; C687-F762 HydrophobicContact CB-CE2 4.18Å |
| 688 | E | 97.9 | Very high | 95.9 | Very high | 22 Ų | 22 | 38.8 Ų | 38.8 | 10% | 0.103 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 132.1 | 169.9 | -176.2 | -174.6 | 132.6 | 0 | 0 | 108.6 | R690 V722 V723 K759 L760 V761 F762 | E688-R690 IonicContact OE1-CZ 2.76Å; E688-R690 VanDerWaalsContact OE1-CZ 3.27Å; E688-R690 IonicContact OE1-NE 3.69Å; E688-R690 PolarHBondContact OE1-NE 3.07Å; E688-R690 IonicContact OE1-NH2 3.74Å; E688-R690 PolarHBondContact OE1-NH2 3.11Å; E688-V722 HydrophobicContact CG-CG1 3.86Å; E688-V723 CarbonylContact C-O 3.46Å; E688-V723 WeakPolarHBondContact CA-O 3.46Å; E688-K759 VanDerWaalsContact OE2-CE 3.23Å; E688-K759 WeakPolarHBondContact OE2-CE 3.4Å; E688-K759 IonicContact OE2-NZ 2.73Å; E688-K759 PolarHBondContact OE2-NZ 3.38Å; E688-L760 PolarHBondContact N-O 2.6Å; E688-V761 HydrophobicContact CB-CG1 4.26Å; E688-V761 HydrophobicContact CB-CG2 4.19Å; E688-V761 HydrophobicContact CG-CG1 4.33Å; E688-V761 CarbonylContact O-C 3.56Å; E688-V761 VanDerWaalsContact O-CA 3.31Å; E688-V761 WeakPolarHBondContact O-CA 3.49Å; E688-F762 PolarHBondContact O-N 3.33Å |
| 689 | V | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 128.2 | 175.4 | 179 | 0 | 0 | 0 | 0 | 109.8 | L572 L691 V723 A726 F749 F762 | L572-V689 HydrophobicContact CD2-CB 4Å; L572-V689 HydrophobicContact CD2-CG1 3.86Å; L572-V689 HydrophobicContact CD2-CG2 3.8Å; V689-L691 HydrophobicContact CG1-CD2 3.79Å; V689-L691 HydrophobicContact CG1-CG 4.48Å; V689-V723 HydrophobicContact CB-CB 4.31Å; V689-V723 PolarHBondContact N-O 2.97Å; V689-V723 PolarHBondContact O-N 3.5Å; V689-A726 HydrophobicContact CB-CB 4.27Å; V689-A726 HydrophobicContact CG2-CB 3.58Å; V689-F749 HydrophobicContact CG1-CD1 3.95Å; V689-F749 HydrophobicContact CG1-CE1 3.5Å; V689-F762 CarbonylContact C-O 3.57Å; V689-F762 WeakPolarHBondContact CA-O 3.42Å; V689-F762 HydrophobicContact CG2-CB 4.28Å |
| 690 | R | 98.3 | Very high | 95.5 | Very high | 5 Ų | 5 | 45.7 Ų | 45.7 | 2% | 0.019 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 114.9 | -179.5 | -60.5 | 174.8 | -175.6 | 166.6 | -0.3 | 109.8 | R509 E688 Y692 L720 D752 D754 F762 N763 R764 | R509-R690 VanDerWaalsContact NH1-NH2 3.1Å; E688-R690 IonicContact OE1-CZ 2.76Å; E688-R690 VanDerWaalsContact OE1-CZ 3.27Å; E688-R690 IonicContact OE1-NE 3.69Å; E688-R690 PolarHBondContact OE1-NE 3.07Å; E688-R690 IonicContact OE1-NH2 3.74Å; E688-R690 PolarHBondContact OE1-NH2 3.11Å; R690-Y692 HydrophobicContact CB-CE2 3.71Å; R690-Y692 WeakPolarHBondContact CD-OH 3.41Å; R690-L720 HydrophobicContact CB-CD1 4.07Å; R690-D752 IonicContact NH1-OD1 2.81Å; R690-D752 PolarHBondContact NH1-OD1 2.71Å; R690-D752 VanDerWaalsContact NH1-OD1 3.12Å; R690-D752 IonicContact NH1-OD2 3.59Å; R690-D754 IonicContact CZ-OD2 3.66Å; R690-D754 VanDerWaalsContact CZ-OD2 3.24Å; R690-D754 IonicContact NH1-OD2 3.56Å; R690-D754 PolarHBondContact NH1-OD2 2.99Å; R690-D754 IonicContact NH2-OD2 3.96Å; R690-D754 PolarHBondContact NH2-OD2 2.94Å; R690-F762 PolarHBondContact N-O 2.91Å; R690-N763 WeakPolarHBondContact CD-OD1 3.29Å; R690-R764 PolarHBondContact O-N 3.48Å |
| 691 | L | 97.3 | Very high | 95.2 | Very high | 26 Ų | 26 | 45.8 Ų | 45.8 | 14% | 0.136 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 117.2 | 178.6 | -54.7 | -174.4 | 0 | 0 | 0 | 109.3 | L572 V689 L720 H721 V723 F749 R764 | L572-L691 HydrophobicContact CD1-CD1 4.08Å; L572-L691 HydrophobicContact CD1-CD2 4.04Å; V689-L691 HydrophobicContact CG1-CD2 3.79Å; V689-L691 HydrophobicContact CG1-CG 4.48Å; L691-L720 WeakPolarHBondContact O-CA 3.36Å; L691-H721 HydrophobicContact CB-CB 4.34Å; L691-H721 PolarHBondContact N-O 3.48Å; L691-H721 PolarHBondContact O-N 2.56Å; L691-V723 HydrophobicContact CD1-CG2 4.32Å; L691-F749 HydrophobicContact CD2-CE1 3.92Å; L691-F749 HydrophobicContact CD2-CZ 4.33Å; L691-R764 HydrophobicContact CD2-CB 3.79Å; L691-R764 HydrophobicContact CD2-CG 4.41Å |
| 692 | Y | 94.9 | Very high | 94.8 | Very high | 14 Ų | 14 | 50 Ų | 50 | 6% | 0.055 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 137.4 | -177.7 | -60.7 | -78 | 0 | 0 | 0 | 111.9 | P514 R515 R690 S719 L720 N763 R764 | P514-Y692 HydrophobicContact CB-CD1 4.22Å; P514-Y692 HydrophobicContact CB-CD2 3.9Å; P514-Y692 HydrophobicContact CB-CE1 3.93Å; P514-Y692 HydrophobicContact CB-CE2 3.66Å; P514-Y692 HydrophobicContact CB-CG 4.17Å; P514-Y692 HydrophobicContact CG-CE1 4.11Å; P514-Y692 HydrophobicContact CG-CE2 3.78Å; P514-Y692 WeakPolarHBondContact CG-OH 3.34Å; R515-Y692 HydrophobicContact CG-CD1 3.49Å; R515-Y692 VanDerWaalsContact CG-CD1 3.49Å; R515-Y692 HydrophobicContact CG-CE1 4.26Å; R515-Y692 HydrophobicContact CG-CG 4.21Å; R690-Y692 HydrophobicContact CB-CE2 3.71Å; R690-Y692 WeakPolarHBondContact CD-OH 3.41Å; Y692-S719 CarbonylContact C-O 3.4Å; Y692-S719 WeakPolarHBondContact CA-O 3.26Å; Y692-L720 HydrophobicContact CD1-CD1 3.83Å; Y692-L720 HydrophobicContact CE1-CD1 3.6Å; Y692-N763 HydrophobicContact CE2-CB 3.83Å; Y692-N763 PolarHBondContact OH-OD1 2.79Å; Y692-R764 PolarHBondContact O-NH2 3.22Å |
| 693 | E | 91.6 | Very high | 94.6 | Very high | 69 Ų | 69 | 52.7 Ų | 52.7 | 32% | 0.322 | 25% | 0.245 | S | C | . | . | trans | -117.7 | 176 | 168 | -55.9 | -79 | 147.2 | 0 | 0 | 109.6 | L695 S719 R764 K774 | E693-L695 PolarHBondContact O-N 3.3Å; E693-S719 PolarHBondContact N-O 2.83Å; E693-R764 IonicContact OE1-CZ 3.63Å; E693-R764 IonicContact OE1-NH1 3.79Å; E693-R764 IonicContact OE1-NH2 3.38Å; E693-R764 PolarHBondContact OE1-NH2 3.46Å; E693-K774 VanDerWaalsContact CD-NZ 3.31Å; E693-K774 IonicContact OE1-NZ 2.76Å; E693-K774 PolarHBondContact OE1-NZ 3.02Å; E693-K774 IonicContact OE2-NZ 3.31Å; E693-K774 PolarHBondContact OE2-NZ 2.81Å | ||
| 694 | R | 93.2 | Very high | 94.3 | Very high | 87 Ų | 87 | 51.9 Ų | 51.9 | 33% | 0.328 | 25% | 0.249 | S | C | . | . | trans | -56.1 | 133 | 179.3 | -63 | -179.2 | -175.5 | 161.1 | 4.6 | 110.7 | Y491 N716 S719 V775 | Y491-R694 PolarHBondContact OH-NH1 3.1Å; Y491-R694 VanDerWaalsContact OH-NH1 3.16Å; R694-N716 WeakPolarHBondContact O-CB 3.47Å; R694-N716 PolarHBondContact O-ND2 2.65Å; R694-S719 WeakPolarHBondContact O-CB 3.38Å; R694-V775 PolarHBondContact NH1-OXT 3.27Å; R694-V775 PolarHBondContact NH2-OXT 2.93Å | ||
| 695 | L | 95.3 | Very high | 94.1 | Very high | 6 Ų | 6 | 56.1 Ų | 56.1 | 3% | 0.031 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -70 | -36.1 | -179.7 | -174.8 | 57.8 | 0 | 0 | 0 | 112.7 | L502 V508 R515 L516 E693 L715 N716 | L502-L695 HydrophobicContact CD1-CD2 4.34Å; V508-L695 HydrophobicContact CG1-CD1 4.07Å; V508-L695 HydrophobicContact CG1-CD2 3.79Å; R515-L695 HydrophobicContact CB-CB 4.15Å; R515-L695 HydrophobicContact CB-CD1 4.49Å; L516-L695 HydrophobicContact CD2-CD2 3.93Å; E693-L695 PolarHBondContact O-N 3.3Å; L695-L715 HydrophobicContact CD1-CD2 4.02Å; L695-L715 HydrophobicContact CG-CD2 4.05Å; L695-N716 WeakPolarHBondContact O-CB 3.48Å; L695-N716 PolarHBondContact O-N 3.21Å |
| 696 | F | 95.6 | Very high | 94 | Very high | 4 Ų | 4 | 56.9 Ų | 56.9 | 2% | 0.018 | 28% | 0.277 | C | S | . | . | B | Isolated β-bridge | trans | -110.5 | 146.6 | -178.4 | -66.2 | -75.2 | 0 | 0 | 0 | 110 | Y491 V493 L502 P701 F711 D714 L715 | Y491-F696 WeakPolarHBondContact O-CD2 3.41Å; V493-F696 HydrophobicContact CB-CE2 4.06Å; V493-F696 HydrophobicContact CB-CZ 4.08Å; V493-F696 HydrophobicContact CG2-CD2 4.41Å; V493-F696 HydrophobicContact CG2-CE1 4.21Å; V493-F696 HydrophobicContact CG2-CE2 3.62Å; V493-F696 HydrophobicContact CG2-CZ 3.5Å; V493-F696 VanDerWaalsContact CG2-CZ 3.5Å; L502-F696 HydrophobicContact CD1-CZ 4.17Å; L502-F696 HydrophobicContact CD2-CZ 4.46Å; F696-P701 HydrophobicContact CB-CB 3.97Å; F696-P701 HydrophobicContact CB-CG 4.18Å; F696-P701 HydrophobicContact CD1-CB 3.46Å; F696-P701 VanDerWaalsContact CD1-CB 3.46Å; F696-P701 HydrophobicContact CD1-CG 4.1Å; F696-P701 HydrophobicContact CD2-CB 4.32Å; F696-P701 HydrophobicContact CD2-CG 4.05Å; F696-P701 HydrophobicContact CE1-CB 4Å; F696-P701 HydrophobicContact CE2-CG 4.48Å; F696-P701 HydrophobicContact CG-CB 3.64Å; F696-P701 HydrophobicContact CG-CG 3.83Å; F696-F711 HydrophobicContact CE1-CD2 4.17Å; F696-F711 WeakPolarHBondContact CE1-O 3.29Å; F696-F711 HydrophobicContact CZ-CD2 4.27Å; F696-D714 WeakPolarHBondContact CA-O 3.46Å; F696-D714 WeakPolarHBondContact CB-OD2 3.36Å; F696-D714 HydrophobicContact CD1-CB 4.18Å; F696-L715 HydrophobicContact CD1-CD2 4.35Å; F696-L715 HydrophobicContact CE1-CD2 3.84Å; F696-L715 HydrophobicContact CZ-CD2 4.28Å |
| 697 | R | 92.9 | Very high | 93.8 | Very high | 155 Ų | 155 | 50.7 Ų | 50.7 | 59% | 0.585 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -82.4 | -34.7 | 179.5 | -56.9 | 173.5 | 175.7 | -178.7 | -1.8 | 111.4 | D714 N716 | R697-D714 WeakPolarHBondContact CB-OD1 3.22Å; R697-D714 PolarHBondContact N-O 3.32Å; R697-D714 VanDerWaalsContact N-O 3.12Å; R697-D714 PolarHBondContact N-OD2 3.01Å; R697-N716 HydrophobicContact CG-CB 4.23Å |
| 698 | H | 93.9 | Very high | 93.5 | Very high | 82 Ų | 82 | 56.1 Ų | 56.1 | 38% | 0.38 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -98.9 | 154.9 | -177.4 | -66.4 | 88.6 | 0 | 0 | 0 | 112.7 | Y491 N700 V707 D714 | Y491-H698 WeakPolarHBondContact CD1-O 3.27Å; Y491-H698 VanDerWaalsContact CE1-C 3.45Å; Y491-H698 WeakPolarHBondContact CE1-O 3.2Å; H698-N700 VanDerWaalsContact C-N 3.3Å; H698-N700 PolarHBondContact O-N 3.5Å; H698-V707 HydrophobicContact CB-CG2 4.29Å; H698-D714 IonicContact CE1-OD1 4Å; H698-D714 IonicContact CG-OD1 3.8Å; H698-D714 PolarHBondContact N-OD1 2.81Å; H698-D714 PolarHBondContact N-OD2 3.05Å; H698-D714 IonicContact ND1-OD1 3.69Å; H698-D714 PolarHBondContact ND1-OD1 2.79Å; H698-D714 IonicContact ND1-OD2 2.78Å |
| 699 | K | 92.6 | Very high | 93 | Very high | 89 Ų | 89 | 57.9 Ų | 57.9 | 39% | 0.387 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -63 | -38.4 | 179.1 | -73.4 | -171.9 | -179.2 | -153.8 | 0 | 111.7 | H490 Y491 E549 P701 | H490-K699 WeakPolarHBondContact CA-O 3.35Å; H490-K699 HydrophobicContact CB-CB 4.3Å; Y491-K699 HydrophobicContact CE1-CG 4.03Å; Y491-K699 HydrophobicContact CE2-CG 3.85Å; Y491-K699 VanDerWaalsContact CZ-CG 3.45Å; Y491-K699 PolarHBondContact N-O 3.32Å; Y491-K699 VanDerWaalsContact OH-CG 3.27Å; Y491-K699 WeakPolarHBondContact OH-CG 3.49Å; E549-K699 WeakPolarHBondContact OE1-CE 3.14Å; E549-K699 IonicContact OE1-NZ 3.27Å; E549-K699 PolarHBondContact OE1-NZ 3.46Å; K699-P701 WeakPolarHBondContact O-CD 3.45Å |
| 700 | N | 92.2 | Very high | 92.6 | Very high | 56 Ų | 56 | 59.5 Ų | 59.5 | 30% | 0.299 | 32% | 0.322 | S | S | . | . | trans | -120.2 | 77.1 | -177.3 | -54.8 | -57.8 | 0 | 0 | 0 | 109.9 | H490 H698 E702 D703 E706 | H490-N700 PolarHBondContact ND1-OD1 3.19Å; H698-N700 VanDerWaalsContact C-N 3.3Å; H698-N700 PolarHBondContact O-N 3.5Å; N700-E702 PolarHBondContact O-N 3.49Å; N700-D703 HydrophobicContact CB-CB 3.88Å; N700-D703 WeakPolarHBondContact O-CB 3.31Å; N700-D703 PolarHBondContact O-N 3.29Å; N700-E706 PolarHBondContact N-OE2 2.76Å; N700-E706 PolarHBondContact ND2-OE1 3.01Å | ||
| 701 | P | 92.2 | Very high | 92.4 | Very high | 3 Ų | 3 | 60.2 Ų | 60.2 | 2% | 0.019 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -16.4 | -174.8 | 26.6 | -35.8 | 0 | 0 | 0 | 113.7 | V493 F696 K699 F711 | V493-P701 HydrophobicContact CG2-CB 4.33Å; V493-P701 HydrophobicContact CG2-CG 3.72Å; F696-P701 HydrophobicContact CB-CB 3.97Å; F696-P701 HydrophobicContact CB-CG 4.18Å; F696-P701 HydrophobicContact CD1-CB 3.46Å; F696-P701 VanDerWaalsContact CD1-CB 3.46Å; F696-P701 HydrophobicContact CD1-CG 4.1Å; F696-P701 HydrophobicContact CD2-CB 4.32Å; F696-P701 HydrophobicContact CD2-CG 4.05Å; F696-P701 HydrophobicContact CE1-CB 4Å; F696-P701 HydrophobicContact CE2-CG 4.48Å; F696-P701 HydrophobicContact CG-CB 3.64Å; F696-P701 HydrophobicContact CG-CG 3.83Å; K699-P701 WeakPolarHBondContact O-CD 3.45Å; P701-F711 HydrophobicContact CB-CB 4.5Å; P701-F711 WeakPolarHBondContact O-CA 3.41Å; P701-F711 WeakPolarHBondContact O-CB 3.3Å |
| 702 | E | 89.8 | Confident | 92.2 | Very high | 89 Ų | 89 | 61.6 Ų | 61.6 | 42% | 0.416 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | -8.8 | 178.2 | -57.7 | -173.8 | 66.7 | 0 | 0 | 113.4 | V493 K498 N700 P704 | V493-E702 HydrophobicContact CG2-CG 3.87Å; K498-E702 WeakPolarHBondContact CE-OE1 3.14Å; K498-E702 IonicContact NZ-OE1 2.69Å; K498-E702 PolarHBondContact NZ-OE1 3.17Å; N700-E702 PolarHBondContact O-N 3.49Å; E702-P704 WeakPolarHBondContact O-CD 3.31Å |
| 703 | D | 91.4 | Very high | 92.1 | Very high | 56 Ų | 56 | 64.4 Ų | 64.4 | 30% | 0.299 | 36% | 0.355 | S | S | . | . | trans | -78.5 | 116.4 | 179.7 | -170.5 | -22.7 | 0 | 0 | 0 | 109.8 | N700 T705 E706 V707 | N700-D703 HydrophobicContact CB-CB 3.88Å; N700-D703 WeakPolarHBondContact O-CB 3.31Å; N700-D703 PolarHBondContact O-N 3.29Å; D703-T705 PolarHBondContact O-N 3.33Å; D703-T705 VanDerWaalsContact O-N 3.16Å; D703-T705 WeakPolarHBondContact OD1-CA 3.49Å; D703-T705 WeakPolarHBondContact OD1-CB 3.47Å; D703-T705 PolarHBondContact OD1-N 3.23Å; D703-T705 PolarHBondContact OD1-OG1 3.44Å; D703-E706 HydrophobicContact CB-CB 4.39Å; D703-E706 PolarHBondContact O-N 3.11Å; D703-V707 PolarHBondContact O-N 3.19Å | ||
| 704 | P | 89.7 | Confident | 92.3 | Very high | 97 Ų | 97 | 61.4 Ų | 61.4 | 63% | 0.63 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -16.3 | 178.7 | 28.6 | -35.8 | 0 | 0 | 0 | 113.4 | E702 V707 P708 | E702-P704 WeakPolarHBondContact O-CD 3.31Å; P704-V707 CarbonylContact O-C 3.58Å; P704-P708 VanDerWaalsContact O-CA 3.29Å; P704-P708 WeakPolarHBondContact O-CA 3.36Å |
| 705 | T | 92.3 | Very high | 92.4 | Very high | 122 Ų | 122 | 58.7 Ų | 58.7 | 75% | 0.748 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -42.2 | 175.6 | -39.3 | 0 | 0 | 0 | 0 | 111.2 | D703 | D703-T705 PolarHBondContact O-N 3.33Å; D703-T705 VanDerWaalsContact O-N 3.16Å; D703-T705 WeakPolarHBondContact OD1-CA 3.49Å; D703-T705 WeakPolarHBondContact OD1-CB 3.47Å; D703-T705 PolarHBondContact OD1-N 3.23Å; D703-T705 PolarHBondContact OD1-OG1 3.44Å |
| 706 | E | 91.9 | Very high | 92.3 | Very high | 72 Ų | 72 | 60.2 Ų | 60.2 | 34% | 0.336 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -38.8 | 174.9 | -69.4 | -173.9 | -151.5 | 0 | 0 | 111.1 | N700 D703 P708 | N700-E706 PolarHBondContact N-OE2 2.76Å; N700-E706 PolarHBondContact ND2-OE1 3.01Å; D703-E706 HydrophobicContact CB-CB 4.39Å; D703-E706 PolarHBondContact O-N 3.11Å; E706-P708 WeakPolarHBondContact O-CD 3.34Å |
| 707 | V | 92.7 | Very high | 91.9 | Very high | 7 Ų | 7 | 67.6 Ų | 67.6 | 4% | 0.042 | 38% | 0.38 | C | S | . | . | trans | -126.7 | 78.1 | -173.2 | -168.7 | 0 | 0 | 0 | 0 | 110.7 | H698 D703 P704 G709 G710 S713 D714 | H698-V707 HydrophobicContact CB-CG2 4.29Å; D703-V707 PolarHBondContact O-N 3.19Å; P704-V707 CarbonylContact O-C 3.58Å; V707-G709 PolarHBondContact O-N 2.76Å; V707-G710 WeakPolarHBondContact CG1-O 3.13Å; V707-G710 PolarHBondContact O-N 2.95Å; V707-S713 VanDerWaalsContact CG1-OG 3.29Å; V707-S713 WeakPolarHBondContact CG1-OG 3.35Å; V707-D714 HydrophobicContact CG1-CB 3.82Å; V707-D714 HydrophobicContact CG2-CB 3.97Å | ||
| 708 | P | 89.5 | Confident | 91.8 | Very high | 117 Ų | 117 | 63.6 Ų | 63.6 | 76% | 0.76 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -25.3 | -176.2 | 24.6 | -34.2 | 0 | 0 | 0 | 113.5 | P704 E706 G710 | P704-P708 VanDerWaalsContact O-CA 3.29Å; P704-P708 WeakPolarHBondContact O-CA 3.36Å; E706-P708 WeakPolarHBondContact O-CD 3.34Å; P708-G710 PolarHBondContact O-N 3.2Å |
| 709 | G | 88.1 | Confident | 91.6 | Very high | 60 Ų | 60 | 59.9 Ų | 59.9 | 62% | 0.619 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | 2.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | V707 S713 | V707-G709 PolarHBondContact O-N 2.76Å; G709-S713 VanDerWaalsContact C-OG 3.28Å; G709-S713 WeakPolarHBondContact CA-OG 3.48Å |
| 710 | G | 89.9 | Confident | 91.8 | Very high | 33 Ų | 33 | 57.7 Ų | 57.7 | 34% | 0.34 | 36% | 0.356 | S | S | . | . | trans | 76.8 | 161 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | V707 P708 L712 S713 | V707-G710 WeakPolarHBondContact CG1-O 3.13Å; V707-G710 PolarHBondContact O-N 2.95Å; P708-G710 PolarHBondContact O-N 3.2Å; G710-L712 PolarHBondContact O-N 2.77Å; G710-S713 WeakPolarHBondContact O-CB 3.39Å; G710-S713 PolarHBondContact O-N 3.24Å; G710-S713 PolarHBondContact O-OG 3.4Å | ||
| 711 | F | 92.6 | Very high | 92 | Very high | 21 Ų | 21 | 60.2 Ų | 60.2 | 9% | 0.092 | 37% | 0.365 | C | S | . | . | G | 310 helix | trans | -54.4 | -27.2 | -167.7 | 77.7 | -80.7 | 0 | 0 | 0 | 116.3 | V493 K498 L502 F696 P701 S713 D714 | V493-F711 HydrophobicContact CG2-CD2 4.38Å; K498-F711 HydrophobicContact CB-CE1 4.38Å; K498-F711 HydrophobicContact CB-CE2 4.05Å; K498-F711 HydrophobicContact CB-CZ 3.77Å; K498-F711 HydrophobicContact CD-CD1 4.16Å; K498-F711 HydrophobicContact CD-CE1 3.95Å; K498-F711 HydrophobicContact CD-CZ 4.16Å; K498-F711 HydrophobicContact CG-CE1 3.94Å; K498-F711 HydrophobicContact CG-CE2 4.46Å; K498-F711 HydrophobicContact CG-CZ 3.84Å; L502-F711 HydrophobicContact CD2-CD2 4.48Å; L502-F711 HydrophobicContact CD2-CE2 3.97Å; L502-F711 HydrophobicContact CG-CE2 4.08Å; F696-F711 HydrophobicContact CE1-CD2 4.17Å; F696-F711 WeakPolarHBondContact CE1-O 3.29Å; F696-F711 HydrophobicContact CZ-CD2 4.27Å; P701-F711 HydrophobicContact CB-CB 4.5Å; P701-F711 WeakPolarHBondContact O-CA 3.41Å; P701-F711 WeakPolarHBondContact O-CB 3.3Å; F711-S713 VanDerWaalsContact C-N 3.27Å; F711-S713 PolarHBondContact O-N 2.96Å; F711-D714 PolarHBondContact O-N 2.67Å |
| 712 | L | 93.6 | Very high | 92.2 | Very high | 54 Ų | 54 | 62.3 Ų | 62.3 | 28% | 0.283 | 38% | 0.378 | S | S | . | . | G | 310 helix | trans | -68.3 | -26.5 | 176.3 | -69.6 | -177.6 | 0 | 0 | 0 | 113.1 | Q501 L502 T505 G710 D714 L715 | Q501-L712 HydrophobicContact CG-CD1 4.17Å; L502-L712 HydrophobicContact CD2-CD2 3.61Å; T505-L712 HydrophobicContact CG2-CD1 4.47Å; G710-L712 PolarHBondContact O-N 2.77Å; L712-D714 PolarHBondContact O-N 2.77Å; L712-L715 HydrophobicContact CD2-CD1 4.26Å; L712-L715 WeakPolarHBondContact O-CD1 3.46Å; L712-L715 WeakPolarHBondContact O-CG 3.23Å |
| 713 | S | 93.8 | Very high | 92.5 | Very high | 74 Ų | 74 | 59 Ų | 59 | 52% | 0.517 | 36% | 0.364 | S | S | . | . | G | 310 helix | trans | -72.8 | -16 | 176.1 | 65.8 | 0 | 0 | 0 | 0 | 112.7 | V707 G709 G710 F711 | V707-S713 VanDerWaalsContact CG1-OG 3.29Å; V707-S713 WeakPolarHBondContact CG1-OG 3.35Å; G709-S713 VanDerWaalsContact C-OG 3.28Å; G709-S713 WeakPolarHBondContact CA-OG 3.48Å; G710-S713 WeakPolarHBondContact O-CB 3.39Å; G710-S713 PolarHBondContact O-N 3.24Å; G710-S713 PolarHBondContact O-OG 3.4Å; F711-S713 VanDerWaalsContact C-N 3.27Å; F711-S713 PolarHBondContact O-N 2.96Å |
| 714 | D | 95.1 | Very high | 92.6 | Very high | 5 Ų | 5 | 63.8 Ų | 63.8 | 3% | 0.027 | 38% | 0.384 | C | S | . | . | G | 310 helix | trans | -92.3 | 7.2 | -178.4 | -165.1 | 41.2 | 0 | 0 | 0 | 114.6 | F696 R697 H698 V707 F711 L712 N716 | F696-D714 WeakPolarHBondContact CA-O 3.46Å; F696-D714 WeakPolarHBondContact CB-OD2 3.36Å; F696-D714 HydrophobicContact CD1-CB 4.18Å; R697-D714 WeakPolarHBondContact CB-OD1 3.22Å; R697-D714 PolarHBondContact N-O 3.32Å; R697-D714 VanDerWaalsContact N-O 3.12Å; R697-D714 PolarHBondContact N-OD2 3.01Å; H698-D714 IonicContact CE1-OD1 4Å; H698-D714 IonicContact CG-OD1 3.8Å; H698-D714 PolarHBondContact N-OD1 2.81Å; H698-D714 PolarHBondContact N-OD2 3.05Å; H698-D714 IonicContact ND1-OD1 3.69Å; H698-D714 PolarHBondContact ND1-OD1 2.79Å; H698-D714 IonicContact ND1-OD2 2.78Å; V707-D714 HydrophobicContact CG1-CB 3.82Å; V707-D714 HydrophobicContact CG2-CB 3.97Å; F711-D714 PolarHBondContact O-N 2.67Å; L712-D714 PolarHBondContact O-N 2.77Å; D714-N716 PolarHBondContact O-N 2.88Å |
| 715 | L | 94.4 | Very high | 92.7 | Very high | 30 Ų | 30 | 61.8 Ų | 61.8 | 16% | 0.157 | 38% | 0.376 | C | S | . | . | B | Isolated β-bridge | trans | -66.1 | 132.3 | -178.5 | -69.1 | 171.5 | 0 | 0 | 0 | 112.1 | L502 A507 L695 F696 L712 L717 | L502-L715 HydrophobicContact CD2-CD1 4.32Å; L502-L715 HydrophobicContact CD2-CD2 3.79Å; A507-L715 HydrophobicContact CB-CD1 3.63Å; A507-L715 HydrophobicContact CB-CD2 4.31Å; L695-L715 HydrophobicContact CD1-CD2 4.02Å; L695-L715 HydrophobicContact CG-CD2 4.05Å; F696-L715 HydrophobicContact CD1-CD2 4.35Å; F696-L715 HydrophobicContact CE1-CD2 3.84Å; F696-L715 HydrophobicContact CZ-CD2 4.28Å; L712-L715 HydrophobicContact CD2-CD1 4.26Å; L712-L715 WeakPolarHBondContact O-CD1 3.46Å; L712-L715 WeakPolarHBondContact O-CG 3.23Å; L715-L717 PolarHBondContact O-N 2.82Å |
| 716 | N | 93.2 | Very high | 92.9 | Very high | 39 Ų | 39 | 56 Ų | 56 | 21% | 0.209 | 34% | 0.34 | C | S | . | . | trans | -85.8 | 105.2 | 171.3 | -178.7 | 13.4 | 0 | 0 | 0 | 110.6 | R694 L695 R697 D714 A718 S719 | R694-N716 WeakPolarHBondContact O-CB 3.47Å; R694-N716 PolarHBondContact O-ND2 2.65Å; L695-N716 WeakPolarHBondContact O-CB 3.48Å; L695-N716 PolarHBondContact O-N 3.21Å; R697-N716 HydrophobicContact CG-CB 4.23Å; D714-N716 PolarHBondContact O-N 2.88Å; N716-A718 PolarHBondContact O-N 3.07Å; N716-A718 PolarHBondContact OD1-N 3.04Å; N716-S719 WeakPolarHBondContact O-CB 3.37Å; N716-S719 PolarHBondContact O-N 2.79Å; N716-S719 VanDerWaalsContact O-N 3.12Å; N716-S719 PolarHBondContact O-OG 2.72Å | ||
| 717 | L | 88.8 | Confident | 93.2 | Very high | 158 Ų | 158 | 53.6 Ų | 53.6 | 83% | 0.827 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -22.5 | 177.7 | -59.7 | 179.3 | 0 | 0 | 0 | 113.3 | L715 S719 | L715-L717 PolarHBondContact O-N 2.82Å; L717-S719 VanDerWaalsContact C-N 3.28Å; L717-S719 PolarHBondContact O-N 3.38Å |
| 718 | A | 89.3 | Confident | 93.4 | Very high | 71 Ų | 71 | 53.2 Ų | 53.2 | 59% | 0.587 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | 14.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | N716 L720 | N716-A718 PolarHBondContact O-N 3.07Å; N716-A718 PolarHBondContact OD1-N 3.04Å; A718-L720 VanDerWaalsContact C-N 3.28Å; A718-L720 PolarHBondContact O-N 2.96Å |
| 719 | S | 91.3 | Very high | 93.6 | Very high | 4 Ų | 4 | 47.7 Ų | 47.7 | 3% | 0.028 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -73.4 | -12.8 | -172.8 | 56.5 | 0 | 0 | 0 | 0 | 115.3 | R515 Y692 E693 R694 N716 L717 | R515-S719 WeakPolarHBondContact CD-O 3.34Å; R515-S719 PolarHBondContact NH1-OG 3.25Å; Y692-S719 CarbonylContact C-O 3.4Å; Y692-S719 WeakPolarHBondContact CA-O 3.26Å; E693-S719 PolarHBondContact N-O 2.83Å; R694-S719 WeakPolarHBondContact O-CB 3.38Å; N716-S719 WeakPolarHBondContact O-CB 3.37Å; N716-S719 PolarHBondContact O-N 2.79Å; N716-S719 VanDerWaalsContact O-N 3.12Å; N716-S719 PolarHBondContact O-OG 2.72Å; L717-S719 VanDerWaalsContact C-N 3.28Å; L717-S719 PolarHBondContact O-N 3.38Å |
| 720 | L | 96 | Very high | 93.8 | Very high | 44 Ų | 44 | 47.2 Ų | 47.2 | 23% | 0.23 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 122.3 | 175.5 | 172.4 | 59.1 | 0 | 0 | 0 | 109.9 | R690 L691 Y692 A718 V722 | R690-L720 HydrophobicContact CB-CD1 4.07Å; L691-L720 WeakPolarHBondContact O-CA 3.36Å; Y692-L720 HydrophobicContact CD1-CD1 3.83Å; Y692-L720 HydrophobicContact CE1-CD1 3.6Å; A718-L720 VanDerWaalsContact C-N 3.28Å; A718-L720 PolarHBondContact O-N 2.96Å; L720-V722 HydrophobicContact CD1-CG2 4.04Å; L720-V722 HydrophobicContact CD2-CG2 4.22Å; L720-V722 HydrophobicContact CG-CG2 3.99Å |
| 721 | H | 96.3 | Very high | 93.9 | Very high | 108 Ų | 108 | 47.5 Ų | 47.5 | 50% | 0.5 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 123.7 | 167.8 | -177.5 | 61.4 | 0 | 0 | 0 | 109.5 | L691 | L691-H721 HydrophobicContact CB-CB 4.34Å; L691-H721 PolarHBondContact N-O 3.48Å; L691-H721 PolarHBondContact O-N 2.56Å |
| 722 | V | 96.9 | Very high | 93.9 | Very high | 48 Ų | 48 | 46.5 Ų | 46.5 | 29% | 0.291 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 124.2 | -179 | -176.4 | 0 | 0 | 0 | 0 | 108.9 | E688 L720 E724 | E688-V722 HydrophobicContact CG-CG1 3.86Å; L720-V722 HydrophobicContact CD1-CG2 4.04Å; L720-V722 HydrophobicContact CD2-CG2 4.22Å; L720-V722 HydrophobicContact CG-CG2 3.99Å; V722-E724 HydrophobicContact CG1-CG 4.26Å |
| 723 | V | 96.7 | Very high | 93.8 | Very high | 19 Ų | 19 | 46.6 Ų | 46.6 | 12% | 0.115 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 103.5 | 173.6 | -175.8 | 0 | 0 | 0 | 0 | 107.3 | L572 E688 V689 L691 A726 | L572-V723 HydrophobicContact CB-CG1 4.46Å; L572-V723 WeakPolarHBondContact O-CG1 3.46Å; E688-V723 CarbonylContact C-O 3.46Å; E688-V723 WeakPolarHBondContact CA-O 3.46Å; V689-V723 HydrophobicContact CB-CB 4.31Å; V689-V723 PolarHBondContact N-O 2.97Å; V689-V723 PolarHBondContact O-N 3.5Å; L691-V723 HydrophobicContact CD1-CG2 4.32Å; V723-A726 HydrophobicContact CG1-CB 3.95Å |
| 724 | E | 93.3 | Very high | 93.7 | Very high | 157 Ų | 157 | 50.7 Ų | 50.7 | 73% | 0.734 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.3 | -30.2 | -171.2 | -63.1 | -171.9 | 161.4 | 0 | 0 | 114.1 | V722 | V722-E724 HydrophobicContact CG1-CG 4.26Å |
| 725 | A | 91.4 | Very high | 93.6 | Very high | 55 Ų | 55 | 51.3 Ų | 51.3 | 46% | 0.455 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 46 | -172 | 0 | 0 | 0 | 0 | 0 | 111.8 | M686 | M686-A725 HydrophobicContact SD-CB 4.34Å |
| 726 | A | 96.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 153 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | L572 M686 C687 V689 V723 | L572-A726 HydrophobicContact CD2-CB 4.05Å; M686-A726 WeakPolarHBondContact CA-O 3.46Å; C687-A726 PolarHBondContact N-O 2.82Å; C687-A726 WeakPolarHBondContact O-CB 3.5Å; C687-A726 PolarHBondContact O-N 3.4Å; V689-A726 HydrophobicContact CB-CB 4.27Å; V689-A726 HydrophobicContact CG2-CB 3.58Å; V723-A726 HydrophobicContact CG1-CB 3.95Å |
| 727 | L | 97.6 | Very high | 93.8 | Very high | 21 Ų | 21 | 59.8 Ų | 59.8 | 11% | 0.11 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 127.3 | -178.5 | -59.9 | -180 | 0 | 0 | 0 | 109.2 | A570 V571 F613 V681 P684 L685 | A570-L727 CarbonylContact C-O 3.56Å; A570-L727 VanDerWaalsContact CA-O 3.27Å; A570-L727 WeakPolarHBondContact CA-O 3.48Å; V571-L727 PolarHBondContact N-O 3.23Å; V571-L727 PolarHBondContact O-N 3.33Å; F613-L727 HydrophobicContact CB-CD1 3.89Å; F613-L727 HydrophobicContact CD1-CD1 3.68Å; F613-L727 HydrophobicContact CD2-CD1 3.89Å; F613-L727 HydrophobicContact CE1-CD1 4.14Å; F613-L727 HydrophobicContact CE2-CD1 4.34Å; F613-L727 HydrophobicContact CG-CD1 3.54Å; F613-L727 HydrophobicContact CZ-CD1 4.45Å; V681-L727 HydrophobicContact CG2-CB 3.82Å; P684-L727 HydrophobicContact CB-CB 3.82Å; P684-L727 HydrophobicContact CB-CD2 4.37Å; P684-L727 HydrophobicContact CG-CB 3.97Å; P684-L727 HydrophobicContact CG-CD1 3.95Å; P684-L727 HydrophobicContact CG-CD2 3.93Å; P684-L727 HydrophobicContact CG-CG 4.16Å; L685-L727 CarbonylContact O-C 3.58Å; L685-L727 WeakPolarHBondContact O-CA 3.4Å |
| 728 | V | 96.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 151.2 | 179.5 | 63.7 | 0 | 0 | 0 | 0 | 110 | A570 P684 L685 C687 V732 F743 | A570-V728 HydrophobicContact CB-CB 4.11Å; A570-V728 HydrophobicContact CB-CG2 3.94Å; P684-V728 CarbonylContact C-O 3.47Å; P684-V728 WeakPolarHBondContact CA-O 3.49Å; P684-V728 WeakPolarHBondContact CB-O 3.44Å; L685-V728 HydrophobicContact CB-CG1 3.98Å; L685-V728 PolarHBondContact N-O 3.42Å; L685-V728 PolarHBondContact O-N 3.24Å; C687-V728 HydrophobicContact CB-CG1 4.31Å; V728-V732 HydrophobicContact CB-CG2 4.16Å; V728-V732 HydrophobicContact CG1-CG2 3.5Å; V728-V732 VanDerWaalsContact CG1-CG2 3.5Å; V728-V732 HydrophobicContact CG2-CB 4.41Å; V728-V732 HydrophobicContact CG2-CG1 3.98Å; V728-V732 HydrophobicContact CG2-CG2 3.52Å; V728-F743 HydrophobicContact CG2-CE1 4Å; V728-F743 HydrophobicContact CG2-CZ 4.05Å |
| 729 | D | 93.6 | Very high | 94.6 | Very high | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | trans | -62.3 | 167.9 | 175.9 | 73.9 | 40.8 | 0 | 0 | 0 | 112.5 | A568 M569 V606 V681 S731 V732 | A568-D729 WeakPolarHBondContact CA-OD2 3.17Å; M569-D729 PolarHBondContact N-OD2 3.39Å; M569-D729 PolarHBondContact O-N 3.15Å; V606-D729 HydrophobicContact CG1-CB 4.05Å; V606-D729 HydrophobicContact CG2-CB 4.24Å; V681-D729 HydrophobicContact CG1-CB 4.43Å; D729-S731 VanDerWaalsContact C-N 3.25Å; D729-S731 PolarHBondContact O-N 3.26Å; D729-S731 WeakPolarHBondContact OD1-CA 3.49Å; D729-S731 WeakPolarHBondContact OD1-CB 3.02Å; D729-S731 PolarHBondContact OD1-N 3.4Å; D729-S731 PolarHBondContact OD1-OG 3Å; D729-V732 WeakPolarHBondContact O-CG2 3.38Å | ||
| 730 | C | 93.1 | Very high | 94.9 | Very high | 49 Ų | 49 | 57.4 Ų | 57.4 | 33% | 0.331 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -74 | -10.9 | -176 | 57.1 | 0 | 0 | 0 | 0 | 114.5 | P607 V732 A733 | P607-C730 VanDerWaalsContact CD-SG 3.53Å; C730-V732 PolarHBondContact O-N 3.43Å; C730-A733 VanDerWaalsContact O-CB 3.31Å; C730-A733 WeakPolarHBondContact O-CB 3.42Å; C730-A733 PolarHBondContact O-N 3.48Å |
| 731 | S | 91.9 | Very high | 95 | Very high | 39 Ų | 39 | 56.3 Ų | 56.3 | 27% | 0.273 | 30% | 0.301 | S | S | . | . | G | 310 helix | trans | -65.2 | -27.3 | -176.7 | 74.8 | 0 | 0 | 0 | 0 | 112.3 | H604 D729 A733 | H604-S731 VanDerWaalsContact CD2-CB 3.45Å; H604-S731 WeakPolarHBondContact CD2-CB 3.49Å; D729-S731 VanDerWaalsContact C-N 3.25Å; D729-S731 PolarHBondContact O-N 3.26Å; D729-S731 WeakPolarHBondContact OD1-CA 3.49Å; D729-S731 WeakPolarHBondContact OD1-CB 3.02Å; D729-S731 PolarHBondContact OD1-N 3.4Å; D729-S731 PolarHBondContact OD1-OG 3Å; S731-A733 VanDerWaalsContact C-N 3.29Å; S731-A733 PolarHBondContact O-N 3.43Å |
| 732 | V | 93.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -85.1 | 3.5 | -179 | -51.9 | 0 | 0 | 0 | 0 | 113.7 | A568 L685 V728 D729 C730 L734 A735 F741 L760 F762 | A568-V732 HydrophobicContact CB-CG1 3.89Å; L685-V732 HydrophobicContact CD1-CG2 4.45Å; V728-V732 HydrophobicContact CB-CG2 4.16Å; V728-V732 HydrophobicContact CG1-CG2 3.5Å; V728-V732 VanDerWaalsContact CG1-CG2 3.5Å; V728-V732 HydrophobicContact CG2-CB 4.41Å; V728-V732 HydrophobicContact CG2-CG1 3.98Å; V728-V732 HydrophobicContact CG2-CG2 3.52Å; D729-V732 WeakPolarHBondContact O-CG2 3.38Å; C730-V732 PolarHBondContact O-N 3.43Å; V732-L734 PolarHBondContact O-N 2.94Å; V732-A735 HydrophobicContact CB-CB 4.42Å; V732-A735 WeakPolarHBondContact O-CB 3.11Å; V732-A735 PolarHBondContact O-N 2.88Å; V732-F741 HydrophobicContact CB-CZ 4.42Å; V732-F741 HydrophobicContact CG1-CD1 4Å; V732-F741 HydrophobicContact CG1-CD2 4.47Å; V732-F741 HydrophobicContact CG1-CE1 3.9Å; V732-F741 HydrophobicContact CG1-CE2 4.38Å; V732-F741 HydrophobicContact CG1-CG 4.3Å; V732-F741 HydrophobicContact CG1-CZ 4.1Å; V732-L760 HydrophobicContact CG2-CD1 4.16Å; V732-F762 HydrophobicContact CB-CZ 4.09Å; V732-F762 HydrophobicContact CG1-CZ 4.47Å; V732-F762 HydrophobicContact CG2-CE2 4.45Å; V732-F762 HydrophobicContact CG2-CZ 4.04Å |
| 733 | A | 91.2 | Very high | 95.1 | Very high | 57 Ų | 57 | 50.2 Ų | 50.2 | 47% | 0.471 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -57.3 | -34.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | L685 C730 S731 | L685-A733 HydrophobicContact CD1-CB 3.78Å; C730-A733 VanDerWaalsContact O-CB 3.31Å; C730-A733 WeakPolarHBondContact O-CB 3.42Å; C730-A733 PolarHBondContact O-N 3.48Å; S731-A733 VanDerWaalsContact C-N 3.29Å; S731-A733 PolarHBondContact O-N 3.43Å |
| 734 | L | 90.6 | Very high | 95.1 | Very high | 159 Ų | 159 | 49.5 Ų | 49.5 | 83% | 0.832 | 27% | 0.265 | S | S | * | . | G | 310 helix | trans | -96.8 | 7.4 | -177.5 | -61.2 | 179.4 | 0 | 0 | 0 | 113.1 | V732 | V732-L734 PolarHBondContact O-N 2.94Š|
| 735 | A | 93.7 | Very high | 95.2 | Very high | 18 Ų | 18 | 46 Ų | 46 | 15% | 0.149 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -66.4 | 136.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | V732 D739 F741 V751 | V732-A735 HydrophobicContact CB-CB 4.42Å; V732-A735 WeakPolarHBondContact O-CB 3.11Å; V732-A735 PolarHBondContact O-N 2.88Å; A735-D739 WeakPolarHBondContact CA-OD2 3.38Å; A735-D739 HydrophobicContact CB-CB 4.4Å; A735-F741 HydrophobicContact CB-CE2 3.7Å; A735-F741 HydrophobicContact CB-CZ 3.74Å; A735-V751 HydrophobicContact CB-CG2 3.77Å |
| 736 | R | 95.1 | Very high | 95.4 | Very high | 187 Ų | 187 | 45.5 Ų | 45.5 | 71% | 0.706 | 23% | 0.234 | S | C | * | . | P | Polyproline II helix | trans | -103.4 | 158.6 | 180 | -60.3 | 179.7 | -172.7 | 179.2 | 2.4 | 110 | F738 D739 V751 | R736-F738 PolarHBondContact O-N 2.87Å; R736-D739 PolarHBondContact N-OD2 3.28Å; R736-D739 VanDerWaalsContact O-CB 3.27Å; R736-D739 WeakPolarHBondContact O-CB 3.43Å; R736-D739 PolarHBondContact O-N 2.96Å; R736-V751 VanDerWaalsContact O-CB 3.25Å; R736-V751 WeakPolarHBondContact O-CB 3.48Å; R736-V751 WeakPolarHBondContact O-CG2 3.43Å |
| 737 | P | 96.8 | Very high | 95.4 | Very high | 60 Ų | 60 | 45.5 Ų | 45.5 | 39% | 0.39 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -47.3 | 136.4 | 171.6 | -30.5 | 37.5 | 0 | 0 | 0 | 112.3 | D739 | P737-D739 VanDerWaalsContact C-N 3.28Å; P737-D739 PolarHBondContact O-N 2.78Å |
| 738 | F | 96.9 | Very high | 95.5 | Very high | 61 Ų | 61 | 44.9 Ų | 44.9 | 27% | 0.268 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.3 | 2.3 | -174.2 | -47.4 | -72.6 | 0 | 0 | 0 | 117 | R523 R736 K740 V751 P753 | R523-F738 HydrophobicContact CG-CD1 4.1Å; R523-F738 HydrophobicContact CG-CE1 3.83Å; R736-F738 PolarHBondContact O-N 2.87Å; F738-K740 VanDerWaalsContact O-CD 3.26Å; F738-K740 WeakPolarHBondContact O-CD 3.17Å; F738-K740 WeakPolarHBondContact O-CE 3.23Å; F738-V751 PolarHBondContact N-O 2.9Å; F738-P753 HydrophobicContact CE1-CG 3.94Å; F738-P753 HydrophobicContact CE2-CG 4.29Å; F738-P753 HydrophobicContact CZ-CG 3.65Å |
| 739 | D | 97.5 | Very high | 95.6 | Very high | 65 Ų | 65 | 45 Ų | 45 | 35% | 0.348 | 23% | 0.231 | S | C | . | . | trans | -65.3 | 141.6 | 165 | -74.1 | -18.2 | 0 | 0 | 0 | 109.8 | A735 R736 P737 F741 S750 V751 | A735-D739 WeakPolarHBondContact CA-OD2 3.38Å; A735-D739 HydrophobicContact CB-CB 4.4Å; R736-D739 PolarHBondContact N-OD2 3.28Å; R736-D739 VanDerWaalsContact O-CB 3.27Å; R736-D739 WeakPolarHBondContact O-CB 3.43Å; R736-D739 PolarHBondContact O-N 2.96Å; P737-D739 VanDerWaalsContact C-N 3.28Å; P737-D739 PolarHBondContact O-N 2.78Å; D739-F741 HydrophobicContact CB-CE2 3.86Å; D739-F741 HydrophobicContact CB-CZ 4.31Å; D739-S750 CarbonylContact O-C 3.59Å; D739-S750 VanDerWaalsContact O-CA 3.29Å; D739-S750 WeakPolarHBondContact O-CA 3.21Å; D739-S750 PolarHBondContact O-OG 3.13Å; D739-V751 HydrophobicContact CB-CG2 4.03Å; D739-V751 PolarHBondContact O-N 3.17Å | ||
| 740 | K | 98.1 | Very high | 95.8 | Very high | 57 Ų | 57 | 45 Ų | 45 | 25% | 0.248 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 143.7 | -175.6 | -52.5 | 99.8 | 174.4 | -162.5 | 0 | 110.7 | L561 A565 P566 F738 F749 | L561-K740 HydrophobicContact CD2-CB 3.95Å; L561-K740 HydrophobicContact CD2-CD 4.38Å; L561-K740 HydrophobicContact CD2-CG 4.03Å; A565-K740 HydrophobicContact CB-CB 4.25Å; P566-K740 WeakPolarHBondContact CD-O 3.41Å; F738-K740 VanDerWaalsContact O-CD 3.26Å; F738-K740 WeakPolarHBondContact O-CD 3.17Å; F738-K740 WeakPolarHBondContact O-CE 3.23Å; K740-F749 CarbonylContact C-O 3.33Å; K740-F749 WeakPolarHBondContact CA-O 3.49Å |
| 741 | F | 98.1 | Very high | 96 | Very high | 22 Ų | 22 | 42.6 Ų | 42.6 | 10% | 0.096 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 147.2 | 179.5 | -62.5 | -87.4 | 0 | 0 | 0 | 110.2 | P566 A568 V732 A735 D739 F743 Y748 F749 V751 F762 | P566-F741 HydrophobicContact CG-CD1 3.78Å; P566-F741 HydrophobicContact CG-CE1 3.8Å; P566-F741 CarbonylContact O-C 3.54Å; P566-F741 WeakPolarHBondContact O-CA 3.27Å; A568-F741 HydrophobicContact CB-CD1 4.35Å; V732-F741 HydrophobicContact CB-CZ 4.42Å; V732-F741 HydrophobicContact CG1-CD1 4Å; V732-F741 HydrophobicContact CG1-CD2 4.47Å; V732-F741 HydrophobicContact CG1-CE1 3.9Å; V732-F741 HydrophobicContact CG1-CE2 4.38Å; V732-F741 HydrophobicContact CG1-CG 4.3Å; V732-F741 HydrophobicContact CG1-CZ 4.1Å; A735-F741 HydrophobicContact CB-CE2 3.7Å; A735-F741 HydrophobicContact CB-CZ 3.74Å; D739-F741 HydrophobicContact CB-CE2 3.86Å; D739-F741 HydrophobicContact CB-CZ 4.31Å; F741-F743 HydrophobicContact CB-CD1 4.11Å; F741-F743 HydrophobicContact CB-CE1 3.96Å; F741-Y748 WeakPolarHBondContact O-CA 3.37Å; F741-F749 PolarHBondContact N-O 3.25Å; F741-F749 PolarHBondContact O-N 2.96Å; F741-V751 HydrophobicContact CE2-CG2 4.06Å; F741-F762 AromaticContact CD2-CE1 3.83Å; F741-F762 HydrophobicContact CD2-CE1 3.83Å; F741-F762 HydrophobicContact CE2-CE1 4.18Å |
| 742 | Q | 98.1 | Very high | 96.3 | Very high | 27 Ų | 27 | 40.8 Ų | 40.8 | 13% | 0.126 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 111.2 | 158.8 | -171.1 | -170.6 | -24.9 | 0 | 0 | 108 | P566 R567 A568 E744 Y748 L768 | P566-Q742 PolarHBondContact O-N 3.07Å; R567-Q742 WeakPolarHBondContact CA-O 3.27Å; R567-Q742 HydrophobicContact CG-CB 4.14Å; R567-Q742 VanDerWaalsContact CZ-OE1 3.26Å; A568-Q742 PolarHBondContact N-O 2.86Å; Q742-E744 PolarHBondContact O-N 3.37Å; Q742-Y748 HydrophobicContact CB-CD1 3.8Å; Q742-Y748 HydrophobicContact CB-CE1 3.67Å; Q742-Y748 HydrophobicContact CG-CD1 4.03Å; Q742-Y748 HydrophobicContact CG-CE1 3.75Å; Q742-L768 HydrophobicContact CG-CD2 3.92Å |
| 743 | F | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 115.3 | 165.8 | -68.9 | -11.4 | 0 | 0 | 0 | 108.5 | A568 A570 V728 F741 R745 L746 G747 F749 F762 | A568-F743 HydrophobicContact CB-CD1 4.29Å; A568-F743 HydrophobicContact CB-CE1 4.39Å; A568-F743 WeakPolarHBondContact O-CA 3.38Å; A570-F743 HydrophobicContact CB-CB 4.14Å; A570-F743 HydrophobicContact CB-CD1 3.94Å; A570-F743 HydrophobicContact CB-CD2 3.48Å; A570-F743 VanDerWaalsContact CB-CD2 3.48Å; A570-F743 HydrophobicContact CB-CE1 4.16Å; A570-F743 HydrophobicContact CB-CE2 3.74Å; A570-F743 HydrophobicContact CB-CG 3.6Å; A570-F743 HydrophobicContact CB-CZ 4.07Å; V728-F743 HydrophobicContact CG2-CE1 4Å; V728-F743 HydrophobicContact CG2-CZ 4.05Å; F741-F743 HydrophobicContact CB-CD1 4.11Å; F741-F743 HydrophobicContact CB-CE1 3.96Å; F743-R745 PolarHBondContact O-N 3.27Å; F743-L746 HydrophobicContact CB-CB 4.11Å; F743-L746 HydrophobicContact CB-CD1 4.12Å; F743-L746 PolarHBondContact O-N 3.12Å; F743-G747 PolarHBondContact N-O 3.33Å; F743-G747 PolarHBondContact O-N 2.83Å; F743-F749 HydrophobicContact CB-CD2 3.64Å; F743-F749 HydrophobicContact CB-CE2 3.71Å; F743-F749 HydrophobicContact CD1-CD2 4.42Å; F743-F749 HydrophobicContact CD2-CB 4.08Å; F743-F749 AromaticContact CD2-CD1 3.96Å; F743-F749 HydrophobicContact CD2-CD1 3.96Å; F743-F749 AromaticContact CD2-CD2 3.25Å; F743-F749 HydrophobicContact CD2-CD2 3.25Å; F743-F749 HydrophobicContact CD2-CE1 4.2Å; F743-F749 AromaticContact CD2-CE2 3.57Å; F743-F749 HydrophobicContact CD2-CE2 3.57Å; F743-F749 AromaticContact CD2-CG 3.48Å; F743-F749 HydrophobicContact CD2-CG 3.48Å; F743-F749 VanDerWaalsContact CD2-CG 3.48Å; F743-F749 HydrophobicContact CD2-CZ 4.03Å; F743-F749 HydrophobicContact CE2-CB 3.98Å; F743-F749 HydrophobicContact CE2-CD1 4.01Å; F743-F749 AromaticContact CE2-CD2 4Å; F743-F749 HydrophobicContact CE2-CD2 4Å; F743-F749 AromaticContact CE2-CG 3.72Å; F743-F749 HydrophobicContact CE2-CG 3.72Å; F743-F749 HydrophobicContact CG-CB 4.45Å; F743-F749 AromaticContact CG-CD2 3.51Å; F743-F749 HydrophobicContact CG-CD2 3.51Å; F743-F749 AromaticContact CG-CE2 3.95Å; F743-F749 HydrophobicContact CG-CE2 3.95Å; F743-F749 HydrophobicContact CG-CG 4.07Å; F743-F749 HydrophobicContact CZ-CB 4.26Å; F743-F749 HydrophobicContact CZ-CG 4.47Å; F743-F762 HydrophobicContact CE1-CE1 4.38Å; F743-F762 HydrophobicContact CE2-CB 4.45Å; F743-F762 HydrophobicContact CE2-CD1 4.45Å; F743-F762 HydrophobicContact CE2-CG 4.27Å; F743-F762 AromaticContact CZ-CD1 3.78Å; F743-F762 HydrophobicContact CZ-CD1 3.78Å; F743-F762 HydrophobicContact CZ-CD2 4.13Å; F743-F762 AromaticContact CZ-CE1 3.91Å; F743-F762 HydrophobicContact CZ-CE1 3.91Å; F743-F762 HydrophobicContact CZ-CE2 4.25Å; F743-F762 AromaticContact CZ-CG 3.89Å; F743-F762 HydrophobicContact CZ-CG 3.89Å; F743-F762 HydrophobicContact CZ-CZ 4.15Å |
| 744 | E | 96.3 | Very high | 96.7 | Very high | 5 Ų | 5 | 43.8 Ų | 43.8 | 2% | 0.023 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53 | 130.8 | -171.5 | -73.1 | -154.9 | -148.8 | 0 | 0 | 111.8 | R567 A568 M569 R639 H640 H679 Q742 L746 | R567-E744 HydrophobicContact CB-CG 4.31Å; R567-E744 HydrophobicContact CG-CG 4.44Å; A568-E744 PolarHBondContact O-N 2.92Å; M569-E744 HydrophobicContact CG-CG 4.47Å; R639-E744 WeakPolarHBondContact CD-OE2 3.37Å; R639-E744 IonicContact CZ-OE2 2.76Å; R639-E744 IonicContact NE-OE2 3.62Å; R639-E744 IonicContact NH1-OE2 3.6Å; R639-E744 PolarHBondContact NH1-OE2 3.3Å; H640-E744 IonicContact CD2-OE1 2.63Å; H640-E744 IonicContact CE1-OE1 3.61Å; H640-E744 IonicContact NE2-OE1 3.04Å; H640-E744 PolarHBondContact NE2-OE1 2.9Å; H640-E744 IonicContact NE2-OE2 3.29Å; H679-E744 HydrophobicContact CB-CB 4.23Å; H679-E744 PolarHBondContact ND1-O 3.43Å; Q742-E744 PolarHBondContact O-N 3.37Å; E744-L746 PolarHBondContact O-N 2.75Å |
| 745 | R | 94.9 | Very high | 96.9 | Very high | 83 Ų | 83 | 37 Ų | 37 | 31% | 0.313 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.1 | -9.9 | -176.6 | -56.3 | 174.9 | 55 | -124.1 | 5.8 | 116.7 | D618 H679 F743 | D618-R745 IonicContact OD1-CZ 3.04Å; D618-R745 IonicContact OD1-NH1 3.67Å; D618-R745 IonicContact OD1-NH2 3.47Å; D618-R745 PolarHBondContact OD1-NH2 3.02Å; D618-R745 IonicContact OD2-CZ 2.88Å; D618-R745 IonicContact OD2-NH1 2.67Å; D618-R745 PolarHBondContact OD2-NH1 2.79Å; D618-R745 IonicContact OD2-NH2 3.52Å; D618-R745 PolarHBondContact OD2-NH2 2.71Å; H679-R745 PolarHBondContact CE1-NH1 3.31Å; H679-R745 PolarHBondContact ND1-NH1 2.89Å; F743-R745 PolarHBondContact O-N 3.27Å |
| 746 | L | 95.4 | Very high | 96.8 | Very high | 44 Ų | 44 | 44.8 Ų | 44.8 | 23% | 0.23 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | -50.2 | -176.7 | -62.8 | 176.3 | 0 | 0 | 0 | 112.8 | A570 L572 F743 E744 F749 | A570-L746 VanDerWaalsContact O-CD1 3.28Å; A570-L746 WeakPolarHBondContact O-CD1 3.37Å; L572-L746 HydrophobicContact CD1-CD1 4.3Å; L572-L746 HydrophobicContact CD2-CD1 4.29Å; L572-L746 HydrophobicContact CG-CD1 3.86Å; F743-L746 HydrophobicContact CB-CB 4.11Å; F743-L746 HydrophobicContact CB-CD1 4.12Å; F743-L746 PolarHBondContact O-N 3.12Å; E744-L746 PolarHBondContact O-N 2.75Å; L746-F749 HydrophobicContact CB-CE2 3.98Å; L746-F749 HydrophobicContact CB-CZ 4.36Å |
| 747 | G | 96.9 | Very high | 96 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 155.4 | -168.7 | -171.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | F743 | F743-G747 PolarHBondContact N-O 3.33Å; F743-G747 PolarHBondContact O-N 2.83Å |
| 748 | Y | 98.4 | Very high | 95.3 | Very high | 9 Ų | 9 | 46.9 Ų | 46.9 | 4% | 0.035 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 137.6 | 172.3 | -63.4 | -82.6 | 0 | 0 | 0 | 110.3 | R558 L561 N562 A565 F741 Q742 T765 V766 L768 | R558-Y748 HydrophobicContact CG-CD2 4.49Å; R558-Y748 HydrophobicContact CG-CE2 4.24Å; L561-Y748 HydrophobicContact CB-CD1 3.55Å; L561-Y748 HydrophobicContact CB-CE1 3.66Å; L561-Y748 HydrophobicContact CB-CG 4Å; L561-Y748 HydrophobicContact CD1-CD1 4.14Å; L561-Y748 HydrophobicContact CD1-CG 3.9Å; L561-Y748 HydrophobicContact CG-CD1 4.46Å; N562-Y748 VanDerWaalsContact CA-OH 3.29Å; N562-Y748 WeakPolarHBondContact CA-OH 3.34Å; N562-Y748 WeakPolarHBondContact CB-OH 3.27Å; N562-Y748 PolarHBondContact OD1-OH 2.99Å; A565-Y748 HydrophobicContact CB-CD1 4.19Å; A565-Y748 HydrophobicContact CB-CE1 4.38Å; F741-Y748 WeakPolarHBondContact O-CA 3.37Å; Q742-Y748 HydrophobicContact CB-CD1 3.8Å; Q742-Y748 HydrophobicContact CB-CE1 3.67Å; Q742-Y748 HydrophobicContact CG-CD1 4.03Å; Q742-Y748 HydrophobicContact CG-CE1 3.75Å; Y748-T765 WeakPolarHBondContact O-CB 3.29Å; Y748-T765 PolarHBondContact O-N 2.97Å; Y748-V766 HydrophobicContact CD2-CG1 3.79Å; Y748-V766 HydrophobicContact CG-CG1 4.35Å; Y748-V766 PolarHBondContact N-O 3.26Å; Y748-V766 PolarHBondContact O-N 2.9Å; Y748-L768 HydrophobicContact CD2-CD2 4.2Å; Y748-L768 HydrophobicContact CE2-CD2 3.83Å |
| 749 | F | 98.6 | Very high | 95 | Very high | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.009 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 148.7 | -175.3 | -66.7 | -99.4 | 0 | 0 | 0 | 110 | V689 L691 K740 F741 F743 L746 F762 N763 R764 | V689-F749 HydrophobicContact CG1-CD1 3.95Å; V689-F749 HydrophobicContact CG1-CE1 3.5Å; L691-F749 HydrophobicContact CD2-CE1 3.92Å; L691-F749 HydrophobicContact CD2-CZ 4.33Å; K740-F749 CarbonylContact C-O 3.33Å; K740-F749 WeakPolarHBondContact CA-O 3.49Å; F741-F749 PolarHBondContact N-O 3.25Å; F741-F749 PolarHBondContact O-N 2.96Å; F743-F749 HydrophobicContact CB-CD2 3.64Å; F743-F749 HydrophobicContact CB-CE2 3.71Å; F743-F749 HydrophobicContact CD1-CD2 4.42Å; F743-F749 HydrophobicContact CD2-CB 4.08Å; F743-F749 AromaticContact CD2-CD1 3.96Å; F743-F749 HydrophobicContact CD2-CD1 3.96Å; F743-F749 AromaticContact CD2-CD2 3.25Å; F743-F749 HydrophobicContact CD2-CD2 3.25Å; F743-F749 HydrophobicContact CD2-CE1 4.2Å; F743-F749 AromaticContact CD2-CE2 3.57Å; F743-F749 HydrophobicContact CD2-CE2 3.57Å; F743-F749 AromaticContact CD2-CG 3.48Å; F743-F749 HydrophobicContact CD2-CG 3.48Å; F743-F749 VanDerWaalsContact CD2-CG 3.48Å; F743-F749 HydrophobicContact CD2-CZ 4.03Å; F743-F749 HydrophobicContact CE2-CB 3.98Å; F743-F749 HydrophobicContact CE2-CD1 4.01Å; F743-F749 AromaticContact CE2-CD2 4Å; F743-F749 HydrophobicContact CE2-CD2 4Å; F743-F749 AromaticContact CE2-CG 3.72Å; F743-F749 HydrophobicContact CE2-CG 3.72Å; F743-F749 HydrophobicContact CG-CB 4.45Å; F743-F749 AromaticContact CG-CD2 3.51Å; F743-F749 HydrophobicContact CG-CD2 3.51Å; F743-F749 AromaticContact CG-CE2 3.95Å; F743-F749 HydrophobicContact CG-CE2 3.95Å; F743-F749 HydrophobicContact CG-CG 4.07Å; F743-F749 HydrophobicContact CZ-CB 4.26Å; F743-F749 HydrophobicContact CZ-CG 4.47Å; L746-F749 HydrophobicContact CB-CE2 3.98Å; L746-F749 HydrophobicContact CB-CZ 4.36Å; F749-F762 HydrophobicContact CB-CB 4.39Å; F749-F762 HydrophobicContact CB-CD1 4.3Å; F749-F762 HydrophobicContact CD1-CB 4.4Å; F749-N763 CarbonylContact C-O 3.5Å; F749-N763 WeakPolarHBondContact CA-O 3.3Å; F749-R764 HydrophobicContact CD1-CB 4.02Å; F749-R764 HydrophobicContact CE1-CB 3.61Å; F749-R764 HydrophobicContact CE1-CG 4.03Å; F749-R764 HydrophobicContact CZ-CB 4.19Å; F749-R764 HydrophobicContact CZ-CG 4.09Å |
| 750 | S | 98.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 142.9 | 175.6 | 179.1 | 0 | 0 | 0 | 0 | 110.1 | D739 D752 F762 N763 | D739-S750 CarbonylContact O-C 3.59Å; D739-S750 VanDerWaalsContact O-CA 3.29Å; D739-S750 WeakPolarHBondContact O-CA 3.21Å; D739-S750 PolarHBondContact O-OG 3.13Å; S750-D752 PolarHBondContact O-N 3.32Å; S750-F762 CarbonylContact O-C 3.53Å; S750-F762 WeakPolarHBondContact O-CA 3.28Å; S750-N763 PolarHBondContact N-O 3.06Å; S750-N763 PolarHBondContact O-N 2.94Å |
| 751 | V | 98.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 120.9 | 173.4 | -175.7 | 0 | 0 | 0 | 0 | 108.9 | A735 R736 F738 D739 F741 S755 V761 F762 | A735-V751 HydrophobicContact CB-CG2 3.77Å; R736-V751 VanDerWaalsContact O-CB 3.25Å; R736-V751 WeakPolarHBondContact O-CB 3.48Å; R736-V751 WeakPolarHBondContact O-CG2 3.43Å; F738-V751 PolarHBondContact N-O 2.9Å; D739-V751 HydrophobicContact CB-CG2 4.03Å; D739-V751 PolarHBondContact O-N 3.17Å; F741-V751 HydrophobicContact CE2-CG2 4.06Å; V751-S755 VanDerWaalsContact CG1-OG 3.25Å; V751-S755 WeakPolarHBondContact CG1-OG 3.17Å; V751-V761 WeakPolarHBondContact CA-O 3.42Å; V751-F762 HydrophobicContact CG2-CD1 4.13Å; V751-F762 HydrophobicContact CG2-CE1 3.56Å; V751-F762 HydrophobicContact CG2-CZ 4.13Å |
| 752 | D | 98.3 | Very high | 95 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | trans | -75.4 | 147.2 | 178.2 | -174.2 | -95.1 | 0 | 0 | 0 | 110.6 | R524 R690 S750 D754 S755 V761 N763 | R524-D752 IonicContact CZ-OD1 3Å; R524-D752 IonicContact CZ-OD2 3.84Å; R524-D752 IonicContact NE-OD1 3.76Å; R524-D752 IonicContact NE-OD2 3.82Å; R524-D752 PolarHBondContact NE-OD2 3.11Å; R524-D752 IonicContact NH2-OD1 3.58Å; R524-D752 PolarHBondContact NH2-OD1 3.11Å; R524-D752 IonicContact NH2-OD2 3.34Å; R524-D752 PolarHBondContact NH2-OD2 3.36Å; R690-D752 IonicContact NH1-OD1 2.81Å; R690-D752 PolarHBondContact NH1-OD1 2.71Å; R690-D752 VanDerWaalsContact NH1-OD1 3.12Å; R690-D752 IonicContact NH1-OD2 3.59Å; S750-D752 PolarHBondContact O-N 3.32Å; D752-D754 PolarHBondContact O-N 3.39Å; D752-D754 VanDerWaalsContact O-N 3.1Å; D752-D754 WeakPolarHBondContact OD1-CB 3.38Å; D752-D754 PolarHBondContact OD1-N 2.85Å; D752-S755 WeakPolarHBondContact O-CB 3.37Å; D752-S755 PolarHBondContact O-N 3.24Å; D752-S755 PolarHBondContact O-OG 3.28Å; D752-V761 HydrophobicContact CB-CB 4.09Å; D752-V761 HydrophobicContact CB-CG1 3.82Å; D752-V761 PolarHBondContact N-O 2.79Å; D752-N763 PolarHBondContact OD2-ND2 3Å | ||
| 753 | P | 96.9 | Very high | 95 | Very high | 52 Ų | 52 | 40.9 Ų | 40.9 | 34% | 0.338 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -19.4 | 174.8 | -27.5 | 36.9 | 0 | 0 | 0 | 115.6 | R524 F738 S755 | R524-P753 HydrophobicContact CG-CG 4.33Å; F738-P753 HydrophobicContact CE1-CG 3.94Å; F738-P753 HydrophobicContact CE2-CG 4.29Å; F738-P753 HydrophobicContact CZ-CG 3.65Å; P753-S755 PolarHBondContact O-N 3.47Å |
| 754 | D | 96.2 | Very high | 95 | Very high | 69 Ų | 69 | 42.9 Ų | 42.9 | 37% | 0.369 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -7.3 | 172.8 | -60.1 | -16.6 | 0 | 0 | 0 | 112.8 | R524 R690 D752 V761 | R524-D754 IonicContact NH2-OD1 3.63Å; R524-D754 PolarHBondContact NH2-OD1 3.35Å; R524-D754 IonicContact NH2-OD2 3.44Å; R524-D754 PolarHBondContact NH2-OD2 3.35Å; R690-D754 IonicContact CZ-OD2 3.66Å; R690-D754 VanDerWaalsContact CZ-OD2 3.24Å; R690-D754 IonicContact NH1-OD2 3.56Å; R690-D754 PolarHBondContact NH1-OD2 2.99Å; R690-D754 IonicContact NH2-OD2 3.96Å; R690-D754 PolarHBondContact NH2-OD2 2.94Å; D752-D754 PolarHBondContact O-N 3.39Å; D752-D754 VanDerWaalsContact O-N 3.1Å; D752-D754 WeakPolarHBondContact OD1-CB 3.38Å; D752-D754 PolarHBondContact OD1-N 2.85Å; D754-V761 HydrophobicContact CB-CG2 4.36Å |
| 755 | S | 94.9 | Very high | 95.1 | Very high | 16 Ų | 16 | 42.7 Ų | 42.7 | 11% | 0.112 | 22% | 0.219 | C | C | . | . | trans | -68.6 | 135 | 176.3 | -61.5 | 0 | 0 | 0 | 0 | 111.7 | V751 D752 P753 K759 V761 | V751-S755 VanDerWaalsContact CG1-OG 3.25Å; V751-S755 WeakPolarHBondContact CG1-OG 3.17Å; D752-S755 WeakPolarHBondContact O-CB 3.37Å; D752-S755 PolarHBondContact O-N 3.24Å; D752-S755 PolarHBondContact O-OG 3.28Å; P753-S755 PolarHBondContact O-N 3.47Å; S755-K759 WeakPolarHBondContact CA-O 3.47Å; S755-V761 WeakPolarHBondContact OG-CA 3.36Å; S755-V761 PolarHBondContact OG-N 3.44Å; S755-V761 PolarHBondContact OG-O 3.49Å | ||
| 756 | R | 90.1 | Very high | 95.2 | Very high | 181 Ų | 181 | 39 Ų | 39 | 68% | 0.683 | 21% | 0.205 | S | C | * | . | B | Isolated β-bridge | trans | -144 | 168.4 | 179.2 | 60.2 | -174.1 | -177.4 | -173 | 0.6 | 110.5 | G758 K759 | R756-G758 PolarHBondContact O-N 3.21Å; R756-G758 VanDerWaalsContact O-N 3.11Å; R756-K759 HydrophobicContact CG-CB 4Å; R756-K759 PolarHBondContact N-O 3.45Å; R756-K759 CarbonylContact O-C 3.53Å; R756-K759 PolarHBondContact O-N 3.07Å |
| 757 | Q | 78.4 | Confident | 95.1 | Very high | 203 Ų | 203 | 39.3 Ų | 39.3 | 95% | 0.949 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | 122.1 | 176.2 | -164.9 | 174.6 | 11.8 | 0 | 0 | 110.3 | ||
| 758 | G | 82.1 | Confident | 94.9 | Very high | 89 Ų | 89 | 42.1 Ų | 42.1 | 92% | 0.918 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 83.8 | -5.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | R756 | R756-G758 PolarHBondContact O-N 3.21Å; R756-G758 VanDerWaalsContact O-N 3.11Å |
| 759 | K | 91.9 | Very high | 94.3 | Very high | 84 Ų | 84 | 49.9 Ų | 49.9 | 37% | 0.365 | 26% | 0.258 | S | S | . | . | B | Isolated β-bridge | trans | -138.5 | 102.2 | 170.8 | -175.8 | -178.1 | 177.9 | -179.8 | 0 | 110.3 | E688 S755 R756 V761 | E688-K759 VanDerWaalsContact OE2-CE 3.23Å; E688-K759 WeakPolarHBondContact OE2-CE 3.4Å; E688-K759 IonicContact OE2-NZ 2.73Å; E688-K759 PolarHBondContact OE2-NZ 3.38Å; S755-K759 WeakPolarHBondContact CA-O 3.47Å; R756-K759 HydrophobicContact CG-CB 4Å; R756-K759 PolarHBondContact N-O 3.45Å; R756-K759 CarbonylContact O-C 3.53Å; R756-K759 PolarHBondContact O-N 3.07Å; K759-V761 HydrophobicContact CD-CG2 4.45Å; K759-V761 HydrophobicContact CG-CG2 4.27Å |
| 760 | L | 95.8 | Very high | 93.1 | Very high | 22 Ų | 22 | 53.8 Ų | 53.8 | 12% | 0.115 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 135.6 | 173.4 | -68 | 173.9 | 0 | 0 | 0 | 110.6 | L685 C687 E688 V732 F762 | L685-L760 HydrophobicContact CD1-CD1 4.32Å; C687-L760 WeakPolarHBondContact CA-O 3.38Å; C687-L760 HydrophobicContact CB-CB 3.8Å; C687-L760 WeakPolarHBondContact CB-O 3.31Å; E688-L760 PolarHBondContact N-O 2.6Å; V732-L760 HydrophobicContact CG2-CD1 4.16Å; L760-F762 HydrophobicContact CB-CE2 4.02Å |
| 761 | V | 98 | Very high | 91.3 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 126.8 | 178.4 | -174 | 0 | 0 | 0 | 0 | 109 | E688 V751 D752 D754 S755 K759 | E688-V761 HydrophobicContact CB-CG1 4.26Å; E688-V761 HydrophobicContact CB-CG2 4.19Å; E688-V761 HydrophobicContact CG-CG1 4.33Å; E688-V761 CarbonylContact O-C 3.56Å; E688-V761 VanDerWaalsContact O-CA 3.31Å; E688-V761 WeakPolarHBondContact O-CA 3.49Å; V751-V761 WeakPolarHBondContact CA-O 3.42Å; D752-V761 HydrophobicContact CB-CB 4.09Å; D752-V761 HydrophobicContact CB-CG1 3.82Å; D752-V761 PolarHBondContact N-O 2.79Å; D754-V761 HydrophobicContact CB-CG2 4.36Å; S755-V761 WeakPolarHBondContact OG-CA 3.36Å; S755-V761 PolarHBondContact OG-N 3.44Å; S755-V761 PolarHBondContact OG-O 3.49Å; K759-V761 HydrophobicContact CD-CG2 4.45Å; K759-V761 HydrophobicContact CG-CG2 4.27Å |
| 762 | F | 98.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 140 | 178 | -68.6 | -91.7 | 0 | 0 | 0 | 111.4 | C687 E688 V689 R690 V732 F741 F743 F749 S750 V751 L760 | C687-F762 HydrophobicContact CB-CD2 4.13Å; C687-F762 HydrophobicContact CB-CE2 4.18Å; E688-F762 PolarHBondContact O-N 3.33Å; V689-F762 CarbonylContact C-O 3.57Å; V689-F762 WeakPolarHBondContact CA-O 3.42Å; V689-F762 HydrophobicContact CG2-CB 4.28Å; R690-F762 PolarHBondContact N-O 2.91Å; V732-F762 HydrophobicContact CB-CZ 4.09Å; V732-F762 HydrophobicContact CG1-CZ 4.47Å; V732-F762 HydrophobicContact CG2-CE2 4.45Å; V732-F762 HydrophobicContact CG2-CZ 4.04Å; F741-F762 AromaticContact CD2-CE1 3.83Å; F741-F762 HydrophobicContact CD2-CE1 3.83Å; F741-F762 HydrophobicContact CE2-CE1 4.18Å; F743-F762 HydrophobicContact CE1-CE1 4.38Å; F743-F762 HydrophobicContact CE2-CB 4.45Å; F743-F762 HydrophobicContact CE2-CD1 4.45Å; F743-F762 HydrophobicContact CE2-CG 4.27Å; F743-F762 AromaticContact CZ-CD1 3.78Å; F743-F762 HydrophobicContact CZ-CD1 3.78Å; F743-F762 HydrophobicContact CZ-CD2 4.13Å; F743-F762 AromaticContact CZ-CE1 3.91Å; F743-F762 HydrophobicContact CZ-CE1 3.91Å; F743-F762 HydrophobicContact CZ-CE2 4.25Å; F743-F762 AromaticContact CZ-CG 3.89Å; F743-F762 HydrophobicContact CZ-CG 3.89Å; F743-F762 HydrophobicContact CZ-CZ 4.15Å; F749-F762 HydrophobicContact CB-CB 4.39Å; F749-F762 HydrophobicContact CB-CD1 4.3Å; F749-F762 HydrophobicContact CD1-CB 4.4Å; S750-F762 CarbonylContact O-C 3.53Å; S750-F762 WeakPolarHBondContact O-CA 3.28Å; V751-F762 HydrophobicContact CG2-CD1 4.13Å; V751-F762 HydrophobicContact CG2-CE1 3.56Å; V751-F762 HydrophobicContact CG2-CZ 4.13Å; L760-F762 HydrophobicContact CB-CE2 4.02Å |
| 763 | N | 98.5 | Very high | 86.1 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 133.3 | 170.1 | -70.4 | -22.9 | 0 | 0 | 0 | 109.5 | R524 R690 Y692 F749 S750 D752 T765 | R524-N763 PolarHBondContact O-ND2 3.13Å; R690-N763 WeakPolarHBondContact CD-OD1 3.29Å; Y692-N763 HydrophobicContact CE2-CB 3.83Å; Y692-N763 PolarHBondContact OH-OD1 2.79Å; F749-N763 CarbonylContact C-O 3.5Å; F749-N763 WeakPolarHBondContact CA-O 3.3Å; S750-N763 PolarHBondContact N-O 3.06Å; S750-N763 PolarHBondContact O-N 2.94Å; D752-N763 PolarHBondContact OD2-ND2 3Å; N763-T765 PolarHBondContact O-N 2.77Å |
| 764 | R | 98.3 | Very high | 83.7 | Confident | 42 Ų | 42 | 69.6 Ų | 69.6 | 16% | 0.158 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 114.1 | 166.4 | -175.4 | 176.4 | 66.1 | -173.7 | 6.1 | 109.1 | R690 L691 Y692 E693 F749 | R690-R764 PolarHBondContact O-N 3.48Å; L691-R764 HydrophobicContact CD2-CB 3.79Å; L691-R764 HydrophobicContact CD2-CG 4.41Å; Y692-R764 PolarHBondContact O-NH2 3.22Å; E693-R764 IonicContact OE1-CZ 3.63Å; E693-R764 IonicContact OE1-NH1 3.79Å; E693-R764 IonicContact OE1-NH2 3.38Å; E693-R764 PolarHBondContact OE1-NH2 3.46Å; F749-R764 HydrophobicContact CD1-CB 4.02Å; F749-R764 HydrophobicContact CE1-CB 3.61Å; F749-R764 HydrophobicContact CE1-CG 4.03Å; F749-R764 HydrophobicContact CZ-CB 4.19Å; F749-R764 HydrophobicContact CZ-CG 4.09Å |
| 765 | T | 97.8 | Very high | 80.9 | Confident | 1 Ų | 1 | 72.4 Ų | 72.4 | 1% | 0.006 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | -58.5 | 178.9 | -53.8 | 0 | 0 | 0 | 0 | 110.6 | R525 F527 V557 L561 Y748 N763 | R525-T765 PolarHBondContact NE-O 3.34Å; R525-T765 PolarHBondContact NH2-O 2.69Å; R525-T765 WeakPolarHBondContact O-CA 3.46Å; R525-T765 WeakPolarHBondContact O-CB 3.49Å; R525-T765 PolarHBondContact O-OG1 3.28Å; F527-T765 HydrophobicContact CD1-CG2 3.52Å; F527-T765 HydrophobicContact CE1-CG2 3.8Å; V557-T765 HydrophobicContact CG1-CG2 3.99Å; L561-T765 HydrophobicContact CD1-CG2 4.06Å; Y748-T765 WeakPolarHBondContact O-CB 3.29Å; Y748-T765 PolarHBondContact O-N 2.97Å; N763-T765 PolarHBondContact O-N 2.77Å |
| 766 | V | 96.8 | Very high | 80.2 | Confident | 4 Ų | 4 | 75.2 Ų | 75.2 | 2% | 0.024 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 153.3 | -179.5 | 65.2 | 0 | 0 | 0 | 0 | 110 | E554 V557 R558 Y748 | E554-V766 HydrophobicContact CB-CG2 3.8Å; E554-V766 HydrophobicContact CG-CG2 4.18Å; V557-V766 HydrophobicContact CG1-CG1 3.97Å; R558-V766 HydrophobicContact CG-CG1 3.76Å; R558-V766 HydrophobicContact CG-CG2 4.02Å; Y748-V766 HydrophobicContact CD2-CG1 3.79Å; Y748-V766 HydrophobicContact CG-CG1 4.35Å; Y748-V766 PolarHBondContact N-O 3.26Å; Y748-V766 PolarHBondContact O-N 2.9Å |
| 767 | T | 94.6 | Very high | 79.7 | Confident | 52 Ų | 52 | 69.6 Ų | 69.6 | 32% | 0.319 | 40% | 0.395 | S | S | . | . | trans | -72.3 | 163.7 | 172.6 | 53.6 | 0 | 0 | 0 | 0 | 111.4 | R558 K769 | R558-T767 WeakPolarHBondContact CD-O 3.43Å; T767-K769 VanDerWaalsContact C-N 3.32Å; T767-K769 WeakPolarHBondContact CB-O 3.13Å; T767-K769 PolarHBondContact O-N 3.02Å; T767-K769 PolarHBondContact OG1-O 3.05Å | ||
| 768 | L | 91.9 | Very high | 79.7 | Confident | 59 Ų | 59 | 62.2 Ų | 62.2 | 31% | 0.309 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -68.3 | -32.3 | 178.6 | -63.3 | 178.1 | 0 | 0 | 0 | 113 | Q742 Y748 | Q742-L768 HydrophobicContact CG-CD2 3.92Å; Y748-L768 HydrophobicContact CD2-CD2 4.2Å; Y748-L768 HydrophobicContact CE2-CD2 3.83Å |
| 769 | K | 86.5 | Confident | 79.6 | Confident | 171 Ų | 171 | 60.6 Ų | 60.6 | 74% | 0.743 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -138.8 | 157.2 | 178.1 | -65 | -173.6 | 179.1 | -174.8 | 0 | 109.1 | T767 | T767-K769 VanDerWaalsContact C-N 3.32Å; T767-K769 WeakPolarHBondContact CB-O 3.13Å; T767-K769 PolarHBondContact O-N 3.02Å; T767-K769 PolarHBondContact OG1-O 3.05Å |
| 770 | E | 72.7 | Confident | 78.8 | Confident | 85 Ų | 85 | 59.2 Ų | 59.2 | 40% | 0.397 | 33% | 0.33 | S | S | . | . | trans | -64.8 | 136.8 | 167.6 | -69 | 176.3 | -172.5 | 0 | 0 | 109 | H551 R558 P772 | H551-E770 IonicContact CG-OE1 3.97Å; H551-E770 IonicContact ND1-OE1 2.74Å; H551-E770 PolarHBondContact ND1-OE1 3.39Å; H551-E770 IonicContact ND1-OE2 2.72Å; R558-E770 IonicContact NH2-OE1 2.73Å; R558-E770 PolarHBondContact NH2-OE1 3.08Å; E770-P772 WeakPolarHBondContact O-CD 3.27Å | ||
| 771 | D | 60.7 | Low | 77.7 | Confident | 86 Ų | 86 | 61.7 Ų | 61.7 | 46% | 0.46 | 34% | 0.344 | S | S | . | . | trans | -88.1 | 109.8 | 173 | -175.4 | -11.3 | 0 | 0 | 0 | 108.1 | G773 K774 | D771-G773 PolarHBondContact O-N 2.68Å; D771-G773 VanDerWaalsContact O-N 3.11Å; D771-G773 PolarHBondContact OD1-N 3.41Å; D771-K774 HydrophobicContact CB-CB 4.19Å; D771-K774 HydrophobicContact CB-CD 4.34Å; D771-K774 HydrophobicContact CB-CG 4.3Å; D771-K774 PolarHBondContact O-N 2.83Å; D771-K774 VanDerWaalsContact O-N 3.11Å | ||
| 772 | P | 45.4 | Very low | 76.2 | Confident | 116 Ų | 116 | 66.1 Ų | 66.1 | 75% | 0.753 | 37% | 0.369 | S | S | * | . | G | 310 helix | trans | -61 | -22.1 | -178.1 | -18.8 | 31.3 | 0 | 0 | 0 | 113.1 | E770 | E770-P772 WeakPolarHBondContact O-CD 3.27Š|
| 773 | G | 42.9 | Very low | 74.5 | Confident | 73 Ų | 73 | 71.2 Ų | 71.2 | 75% | 0.753 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | -85.9 | -5.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | D771 | D771-G773 PolarHBondContact O-N 2.68Å; D771-G773 VanDerWaalsContact O-N 3.11Å; D771-G773 PolarHBondContact OD1-N 3.41Å |
| 774 | K | 46.7 | Very low | 72.5 | Confident | 109 Ų | 109 | 77.1 Ų | 77.1 | 47% | 0.474 | 43% | 0.431 | S | S | . | . | G | 310 helix | trans | -114.8 | 11.7 | 178.5 | -69.1 | -173.2 | 170.2 | -164.2 | 0 | 113.5 | E693 D771 | E693-K774 VanDerWaalsContact CD-NZ 3.31Å; E693-K774 IonicContact OE1-NZ 2.76Å; E693-K774 PolarHBondContact OE1-NZ 3.02Å; E693-K774 IonicContact OE2-NZ 3.31Å; E693-K774 PolarHBondContact OE2-NZ 2.81Å; D771-K774 HydrophobicContact CB-CB 4.19Å; D771-K774 HydrophobicContact CB-CD 4.34Å; D771-K774 HydrophobicContact CB-CG 4.3Å; D771-K774 PolarHBondContact O-N 2.83Å; D771-K774 VanDerWaalsContact O-N 3.11Å |
| 775 | V | 36.1 | Very low | 70.2 | Confident | 127 Ų | 127 | 80.3 Ų | 80.3 | 77% | 0.77 | 46% | 0.455 | S | S | * | . | trans | -68 | 0 | 179.4 | 176.9 | 0 | 0 | 0 | 0 | 110.7 | R694 | R694-V775 PolarHBondContact NH1-OXT 3.27Å; R694-V775 PolarHBondContact NH2-OXT 2.93Å |
Retrieved 775 of 775 residues in 4301.4 ms
(Link to these results)